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CCN1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000509786334 1069414162 /nfs/dbraw/zinc/41/41/62/1069414162.db2.gz KWLFXBOMXHLXHN-UHFFFAOYSA-N 0 1 410.540 -0.039 20 0 HBADMN NC(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000509869614 1069448360 /nfs/dbraw/zinc/44/83/60/1069448360.db2.gz YQXRXKWEYICGEF-UHFFFAOYSA-N 0 1 412.487 -0.144 20 0 HBADMN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCN(C)CC1 ZINC000509938435 1069529928 /nfs/dbraw/zinc/52/99/28/1069529928.db2.gz OTNPOSVFRJHYNE-HNNXBMFYSA-N 0 1 423.539 -0.827 20 0 HBADMN C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCN(C)CC1 ZINC000509938448 1069529950 /nfs/dbraw/zinc/52/99/50/1069529950.db2.gz OTNPOSVFRJHYNE-OAHLLOKOSA-N 0 1 423.539 -0.827 20 0 HBADMN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C1 ZINC000509941233 1069551520 /nfs/dbraw/zinc/55/15/20/1069551520.db2.gz HOBHWPVHOMBJDQ-CYBMUJFWSA-N 0 1 421.483 -0.407 20 0 HBADMN COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)c1 ZINC000510045819 1068220220 /nfs/dbraw/zinc/22/02/20/1068220220.db2.gz VXECOWYDGFEFJU-UHFFFAOYSA-N 0 1 422.511 -0.004 20 0 HBADMN CC(C)Cn1c(N)c(C(=O)CSc2nnnn2CCN(C)C)c(=O)n(C)c1=O ZINC000510095424 1068246664 /nfs/dbraw/zinc/24/66/64/1068246664.db2.gz LSFXWTPHVCESFU-UHFFFAOYSA-N 0 1 410.504 -0.692 20 0 HBADMN CN1CCN(c2cc(CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)ccn2)CC1 ZINC000510103719 1068248340 /nfs/dbraw/zinc/24/83/40/1068248340.db2.gz QOCJVRIJRIIVLX-UHFFFAOYSA-N 0 1 423.477 -0.291 20 0 HBADMN CN1CCN(c2cc(CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)ccn2)CC1 ZINC000510105174 1068249468 /nfs/dbraw/zinc/24/94/68/1068249468.db2.gz ZQKHUBFZQMLIMO-UHFFFAOYSA-N 0 1 423.477 -0.291 20 0 HBADMN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(CNS(C)(=O)=O)CC1 ZINC000510205425 1068295354 /nfs/dbraw/zinc/29/53/54/1068295354.db2.gz DIUQXSDWBZLNME-HNNXBMFYSA-N 0 1 410.544 -0.225 20 0 HBADMN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(CNS(C)(=O)=O)CC1 ZINC000510205426 1068295407 /nfs/dbraw/zinc/29/54/07/1068295407.db2.gz 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NC(=O)[C@@H]1CCCN1CCCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000510258596 1068307951 /nfs/dbraw/zinc/30/79/51/1068307951.db2.gz PJGLNWOQCAGIJT-ZDUSSCGKSA-N 0 1 408.484 -0.703 20 0 HBADMN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](O)C3)CC2)c1 ZINC000510378558 1068475753 /nfs/dbraw/zinc/47/57/53/1068475753.db2.gz NZFNLKHYHIBUAE-AWEZNQCLSA-N 0 1 413.496 -0.397 20 0 HBADMN O=C(CN1CC[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000510381039 1068476842 /nfs/dbraw/zinc/47/68/42/1068476842.db2.gz SHYUUWZVSCNYPF-AWEZNQCLSA-N 0 1 411.480 -0.643 20 0 HBADMN NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCCCCN3CCOCC3)CC2=O)c1 ZINC000510385167 1068477514 /nfs/dbraw/zinc/47/75/14/1068477514.db2.gz UBJVXESZJOHFJJ-HNNXBMFYSA-N 0 1 424.523 -0.085 20 0 HBADMN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCCCCN3CCOCC3)CC2=O)c1 ZINC000510385168 1068477687 /nfs/dbraw/zinc/47/76/87/1068477687.db2.gz UBJVXESZJOHFJJ-OAHLLOKOSA-N 0 1 424.523 -0.085 20 0 HBADMN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](O)C3)CC2)cc1OC ZINC000510387833 1068478998 /nfs/dbraw/zinc/47/89/98/1068478998.db2.gz DJKVEKPYJPKGBE-AWEZNQCLSA-N 0 1 413.496 -0.397 20 0 HBADMN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](O)C3)CC2)cc1OC ZINC000510387834 1068478932 /nfs/dbraw/zinc/47/89/32/1068478932.db2.gz DJKVEKPYJPKGBE-CQSZACIVSA-N 0 1 413.496 -0.397 20 0 HBADMN CCS(=O)(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000510476526 1068534722 /nfs/dbraw/zinc/53/47/22/1068534722.db2.gz VZMPLORTIVZRMT-MQVJKMGUSA-N 0 1 415.560 -0.253 20 0 HBADMN CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000510482172 1068535341 /nfs/dbraw/zinc/53/53/41/1068535341.db2.gz OACOVJHFETVLLV-UYTSQGDYSA-N 0 1 415.560 -0.207 20 0 HBADMN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000510482173 1068535180 /nfs/dbraw/zinc/53/51/80/1068535180.db2.gz OACOVJHFETVLLV-WTXIUTQJSA-N 0 1 415.560 -0.207 20 0 HBADMN COCCN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1=O ZINC000510482993 1068535939 /nfs/dbraw/zinc/53/59/39/1068535939.db2.gz RTERIJVRYTYSGD-ALOPSCKCSA-N 0 1 409.531 -0.040 20 0 HBADMN C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CCN1S(C)(=O)=O ZINC000510492319 1068541310 /nfs/dbraw/zinc/54/13/10/1068541310.db2.gz QKESMNQAKYRAKX-HNSVSWJLSA-N 0 1 415.560 -0.255 20 0 HBADMN O=S(=O)(NCCN(CCN1CCCCC1)S(=O)(=O)N1CCC1)N1CCC1 ZINC000510533978 1068550462 /nfs/dbraw/zinc/55/04/62/1068550462.db2.gz NJDGVBMCMGTRNH-UHFFFAOYSA-N 0 1 409.578 -0.735 20 0 HBADMN CC(C)NS(=O)(=O)NCCN(CCN1CCCCC1)S(=O)(=O)NC(C)C ZINC000510538303 1068550556 /nfs/dbraw/zinc/55/05/56/1068550556.db2.gz LHQWBPRHGXRGID-UHFFFAOYSA-N 0 1 413.610 -0.151 20 0 HBADMN CCN(C)S(=O)(=O)NCCN(CCN1CCCCC1)S(=O)(=O)N(C)CC ZINC000510539752 1068551043 /nfs/dbraw/zinc/55/10/43/1068551043.db2.gz RHQSHPPTOIHXIW-UHFFFAOYSA-N 0 1 413.610 -0.243 20 0 HBADMN CC(C)Oc1ccc([C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)N(C)C)cc1 ZINC000510581128 1068553092 /nfs/dbraw/zinc/55/30/92/1068553092.db2.gz ROKRHZLORNHJSS-BBRMVZONSA-N 0 1 414.528 -0.014 20 0 HBADMN CC(C)Oc1ccc([C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)N(C)C)cc1 ZINC000510581129 1068552942 /nfs/dbraw/zinc/55/29/42/1068552942.db2.gz ROKRHZLORNHJSS-CJNGLKHVSA-N 0 1 414.528 -0.014 20 0 HBADMN CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)N(C)C)cc1 ZINC000510581130 1068552968 /nfs/dbraw/zinc/55/29/68/1068552968.db2.gz ROKRHZLORNHJSS-CZUORRHYSA-N 0 1 414.528 -0.014 20 0 HBADMN CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)N(C)C)cc1 ZINC000510581131 1068553052 /nfs/dbraw/zinc/55/30/52/1068553052.db2.gz ROKRHZLORNHJSS-XJKSGUPXSA-N 0 1 414.528 -0.014 20 0 HBADMN NS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000510658495 1068557389 /nfs/dbraw/zinc/55/73/89/1068557389.db2.gz NUPUBTUTMBWPTC-INIZCTEOSA-N 0 1 402.561 -0.109 20 0 HBADMN NS(=O)(=O)C[C@H]1CCCN1CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000510658500 1068557474 /nfs/dbraw/zinc/55/74/74/1068557474.db2.gz NUPUBTUTMBWPTC-MRXNPFEDSA-N 0 1 402.561 -0.109 20 0 HBADMN CN(CCCN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1)Cc1ccco1 ZINC000510675480 1068559309 /nfs/dbraw/zinc/55/93/09/1068559309.db2.gz QLCBGGTWEWBMER-UHFFFAOYSA-N 0 1 408.546 -0.145 20 0 HBADMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000510719571 1068563499 /nfs/dbraw/zinc/56/34/99/1068563499.db2.gz PUUVXYQDGCOSPG-IBGZPJMESA-N 0 1 409.575 -0.301 20 0 HBADMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000510719572 1068563387 /nfs/dbraw/zinc/56/33/87/1068563387.db2.gz PUUVXYQDGCOSPG-LJQANCHMSA-N 0 1 409.575 -0.301 20 0 HBADMN CN(C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000510730989 1068567005 /nfs/dbraw/zinc/56/70/05/1068567005.db2.gz HECRQOIZNGTBIU-UHFFFAOYSA-N 0 1 408.933 -0.088 20 0 HBADMN CN(C)CC(=O)N1CCN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000510732300 1068566986 /nfs/dbraw/zinc/56/69/86/1068566986.db2.gz IUIWJUCCSNQANA-UHFFFAOYSA-N 0 1 411.462 -0.144 20 0 HBADMN CN(C)CC(=O)N1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000510749438 1068568215 /nfs/dbraw/zinc/56/82/15/1068568215.db2.gz KOEFJBHHFGGUDA-UHFFFAOYSA-N 0 1 422.551 -0.237 20 0 HBADMN CNC(=O)CCCN(C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000510763361 1068568713 /nfs/dbraw/zinc/56/87/13/1068568713.db2.gz BLFFWNYXFCDPGB-GOSISDBHSA-N 0 1 418.494 -0.045 20 0 HBADMN CNC(=O)CCCN(C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000510763371 1068568606 /nfs/dbraw/zinc/56/86/06/1068568606.db2.gz BLFFWNYXFCDPGB-SFHVURJKSA-N 0 1 418.494 -0.045 20 0 HBADMN CCN(C(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000510768711 1068569239 /nfs/dbraw/zinc/56/92/39/1068569239.db2.gz VCFRQKIESJVYSM-BYNSBNAKSA-N 0 1 409.574 -0.140 20 0 HBADMN CCN(C(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000510768712 1068569173 /nfs/dbraw/zinc/56/91/73/1068569173.db2.gz VCFRQKIESJVYSM-GBJTYRQASA-N 0 1 409.574 -0.140 20 0 HBADMN CCN(C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000510768713 1068569499 /nfs/dbraw/zinc/56/94/99/1068569499.db2.gz VCFRQKIESJVYSM-XQLPTFJDSA-N 0 1 409.574 -0.140 20 0 HBADMN CCN(C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000510768715 1068569218 /nfs/dbraw/zinc/56/92/18/1068569218.db2.gz VCFRQKIESJVYSM-YJNKXOJESA-N 0 1 409.574 -0.140 20 0 HBADMN CNC(=O)CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000510785689 1068571476 /nfs/dbraw/zinc/57/14/76/1068571476.db2.gz XJEWMINWVLGFNB-UHFFFAOYSA-N 0 1 415.516 -0.418 20 0 HBADMN C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nnc[nH]1 ZINC000510797054 1068571774 /nfs/dbraw/zinc/57/17/74/1068571774.db2.gz MDWUDFBTFJFKEE-LLVKDONJSA-N 0 1 401.470 -0.135 20 0 HBADMN C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nnc[nH]1 ZINC000510797055 1068572125 /nfs/dbraw/zinc/57/21/25/1068572125.db2.gz MDWUDFBTFJFKEE-NSHDSACASA-N 0 1 401.470 -0.135 20 0 HBADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510798010 1068571390 /nfs/dbraw/zinc/57/13/90/1068571390.db2.gz ODEKDURFVWEZNR-CHWSQXEVSA-N 0 1 401.489 -0.015 20 0 HBADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510798011 1068571174 /nfs/dbraw/zinc/57/11/74/1068571174.db2.gz ODEKDURFVWEZNR-OLZOCXBDSA-N 0 1 401.489 -0.015 20 0 HBADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510798012 1068571362 /nfs/dbraw/zinc/57/13/62/1068571362.db2.gz ODEKDURFVWEZNR-QWHCGFSZSA-N 0 1 401.489 -0.015 20 0 HBADMN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510798013 1068571444 /nfs/dbraw/zinc/57/14/44/1068571444.db2.gz ODEKDURFVWEZNR-STQMWFEESA-N 0 1 401.489 -0.015 20 0 HBADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CC(=O)N(CCOC)C1 ZINC000510807420 1068571952 /nfs/dbraw/zinc/57/19/52/1068571952.db2.gz UCOKEFCMLDADRS-UHFFFAOYSA-N 0 1 421.497 -0.106 20 0 HBADMN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000510807982 1068572475 /nfs/dbraw/zinc/57/24/75/1068572475.db2.gz WCNCHODIJWDZJY-UHFFFAOYSA-N 0 1 406.512 -0.004 20 0 HBADMN COc1cc(C(=O)NCCN2CCNC(=O)C2)cc(NS(C)(=O)=O)c1OC ZINC000510904077 1068579842 /nfs/dbraw/zinc/57/98/42/1068579842.db2.gz WEHRVALIWTUVBN-UHFFFAOYSA-N 0 1 400.457 -0.763 20 0 HBADMN CC(C)NC(=O)CN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000510920396 1068582167 /nfs/dbraw/zinc/58/21/67/1068582167.db2.gz JUECKTWFTXCDHT-AYHJJNSGSA-N 0 1 422.574 -0.078 20 0 HBADMN C[C@@H]1CN(CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000510922778 1068582493 /nfs/dbraw/zinc/58/24/93/1068582493.db2.gz WIXGAXKXFKZHDU-HDICACEKSA-N 0 1 411.547 -0.328 20 0 HBADMN C[C@@H]1CN(CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000510922779 1068582752 /nfs/dbraw/zinc/58/27/52/1068582752.db2.gz WIXGAXKXFKZHDU-QZTJIDSGSA-N 0 1 411.547 -0.328 20 0 HBADMN C[C@H]1CN(CCCNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000510922780 1068582788 /nfs/dbraw/zinc/58/27/88/1068582788.db2.gz WIXGAXKXFKZHDU-ROUUACIJSA-N 0 1 411.547 -0.328 20 0 HBADMN CCNC(=O)CN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000510925407 1068584425 /nfs/dbraw/zinc/58/44/25/1068584425.db2.gz RDMUOXVADBFXLX-ALOPSCKCSA-N 0 1 408.547 -0.467 20 0 HBADMN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000510929779 1068585598 /nfs/dbraw/zinc/58/55/98/1068585598.db2.gz NLBMHTHKSKZXQO-UYTSQGDYSA-N 0 1 415.560 -0.207 20 0 HBADMN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000510929782 1068585778 /nfs/dbraw/zinc/58/57/78/1068585778.db2.gz NLBMHTHKSKZXQO-WTXIUTQJSA-N 0 1 415.560 -0.207 20 0 HBADMN CC(C)CN1CCO[C@@H](CNC(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000510933464 1068587563 /nfs/dbraw/zinc/58/75/63/1068587563.db2.gz DHLULLOUYWCCLE-INIZCTEOSA-N 0 1 401.471 -0.088 20 0 HBADMN CC(C)CN1CCO[C@H](CNC(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000510933477 1068587625 /nfs/dbraw/zinc/58/76/25/1068587625.db2.gz DHLULLOUYWCCLE-MRXNPFEDSA-N 0 1 401.471 -0.088 20 0 HBADMN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CCO)CC2CC2)CC1 ZINC000510963260 1068591104 /nfs/dbraw/zinc/59/11/04/1068591104.db2.gz ADKGFDATGOVKGA-UHFFFAOYSA-N 0 1 400.501 -0.171 20 0 HBADMN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000510981966 1068591900 /nfs/dbraw/zinc/59/19/00/1068591900.db2.gz CBWOWVDEVPLHLQ-UHFFFAOYSA-N 0 1 409.406 -0.073 20 0 HBADMN O=C(CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1)N1CCOCC1 ZINC000511028104 1068633262 /nfs/dbraw/zinc/63/32/62/1068633262.db2.gz KSDAZWMQOVIRNI-UHFFFAOYSA-N 0 1 419.530 -0.073 20 0 HBADMN C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CN1CCN(C)CC1 ZINC000511048084 1068643415 /nfs/dbraw/zinc/64/34/15/1068643415.db2.gz QIKKJWABMVSJJN-CYBMUJFWSA-N 0 1 419.511 -0.289 20 0 HBADMN C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)CN1CCN(C)CC1 ZINC000511048086 1068643213 /nfs/dbraw/zinc/64/32/13/1068643213.db2.gz QIKKJWABMVSJJN-ZDUSSCGKSA-N 0 1 419.511 -0.289 20 0 HBADMN Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cn1C ZINC000511054110 1068644902 /nfs/dbraw/zinc/64/49/02/1068644902.db2.gz IQWMTRNZYIZRMN-HNNXBMFYSA-N 0 1 401.533 -0.130 20 0 HBADMN Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cn1C ZINC000511054111 1068645016 /nfs/dbraw/zinc/64/50/16/1068645016.db2.gz IQWMTRNZYIZRMN-OAHLLOKOSA-N 0 1 401.533 -0.130 20 0 HBADMN C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)N1CCN(C)CC1 ZINC000511056553 1068646249 /nfs/dbraw/zinc/64/62/49/1068646249.db2.gz OMXATVSSVASBCD-GFCCVEGCSA-N 0 1 405.484 -0.537 20 0 HBADMN C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)N1CCN(C)CC1 ZINC000511056554 1068646230 /nfs/dbraw/zinc/64/62/30/1068646230.db2.gz OMXATVSSVASBCD-LBPRGKRZSA-N 0 1 405.484 -0.537 20 0 HBADMN CN(C)S(=O)(=O)[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000511080791 1068659099 /nfs/dbraw/zinc/65/90/99/1068659099.db2.gz KLCVNWAQRAWSMK-INIZCTEOSA-N 0 1 410.544 -0.129 20 0 HBADMN CN(C)S(=O)(=O)[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000511080793 1068659131 /nfs/dbraw/zinc/65/91/31/1068659131.db2.gz KLCVNWAQRAWSMK-MRXNPFEDSA-N 0 1 410.544 -0.129 20 0 HBADMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511094039 1068672286 /nfs/dbraw/zinc/67/22/86/1068672286.db2.gz XAEDHDVDEJWXBI-DLBZAZTESA-N 0 1 404.577 -0.185 20 0 HBADMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511094044 1068672304 /nfs/dbraw/zinc/67/23/04/1068672304.db2.gz XAEDHDVDEJWXBI-IAGOWNOFSA-N 0 1 404.577 -0.185 20 0 HBADMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511094047 1068672365 /nfs/dbraw/zinc/67/23/65/1068672365.db2.gz XAEDHDVDEJWXBI-IRXDYDNUSA-N 0 1 404.577 -0.185 20 0 HBADMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511094050 1068672142 /nfs/dbraw/zinc/67/21/42/1068672142.db2.gz XAEDHDVDEJWXBI-SJORKVTESA-N 0 1 404.577 -0.185 20 0 HBADMN CN(C[C@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1)S(C)(=O)=O ZINC000511096132 1068675547 /nfs/dbraw/zinc/67/55/47/1068675547.db2.gz NPAUSLIIRLWKFA-CYBMUJFWSA-N 0 1 412.516 -0.963 20 0 HBADMN CN(C[C@@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1)S(C)(=O)=O ZINC000511096141 1068675416 /nfs/dbraw/zinc/67/54/16/1068675416.db2.gz NPAUSLIIRLWKFA-ZDUSSCGKSA-N 0 1 412.516 -0.963 20 0 HBADMN CN(C)S(=O)(=O)[C@@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000511146457 1068700426 /nfs/dbraw/zinc/70/04/26/1068700426.db2.gz YAYBDTGKBFQECH-CYBMUJFWSA-N 0 1 412.516 -0.820 20 0 HBADMN CN(C)S(=O)(=O)[C@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000511146462 1068700352 /nfs/dbraw/zinc/70/03/52/1068700352.db2.gz YAYBDTGKBFQECH-ZDUSSCGKSA-N 0 1 412.516 -0.820 20 0 HBADMN Cn1nccc1[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000511147562 1068701222 /nfs/dbraw/zinc/70/12/22/1068701222.db2.gz QGSLKEUYKWBODD-GOSISDBHSA-N 0 1 418.542 -0.398 20 0 HBADMN Cn1nccc1[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000511147563 1068700940 /nfs/dbraw/zinc/70/09/40/1068700940.db2.gz QGSLKEUYKWBODD-SFHVURJKSA-N 0 1 418.542 -0.398 20 0 HBADMN O=C(CCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCC(=O)c1ccccc1 ZINC000511156179 1068701560 /nfs/dbraw/zinc/70/15/60/1068701560.db2.gz 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XEJTTYPZOZKDQQ-MSOLQXFVSA-N 0 1 413.540 -0.059 20 0 HBADMN CCOCCS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000535632097 1068278246 /nfs/dbraw/zinc/27/82/46/1068278246.db2.gz XEJTTYPZOZKDQQ-MSOLQXFVSA-N 0 1 413.540 -0.059 20 0 HBADMN CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000535632110 1068278354 /nfs/dbraw/zinc/27/83/54/1068278354.db2.gz XEJTTYPZOZKDQQ-QZTJIDSGSA-N 0 1 413.540 -0.059 20 0 HBADMN CCOCCS(=O)(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000535632110 1068278345 /nfs/dbraw/zinc/27/83/45/1068278345.db2.gz XEJTTYPZOZKDQQ-QZTJIDSGSA-N 0 1 413.540 -0.059 20 0 HBADMN CCOCCS(=O)(=O)NCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000535632112 1068278380 /nfs/dbraw/zinc/27/83/80/1068278380.db2.gz XEJTTYPZOZKDQQ-ROUUACIJSA-N 0 1 413.540 -0.059 20 0 HBADMN CCOCCS(=O)(=O)NCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000535632112 1068278375 /nfs/dbraw/zinc/27/83/75/1068278375.db2.gz XEJTTYPZOZKDQQ-ROUUACIJSA-N 0 1 413.540 -0.059 20 0 HBADMN CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000535632113 1068279166 /nfs/dbraw/zinc/27/91/66/1068279166.db2.gz XEJTTYPZOZKDQQ-ZWKOTPCHSA-N 0 1 413.540 -0.059 20 0 HBADMN C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000535709527 1068593981 /nfs/dbraw/zinc/59/39/81/1068593981.db2.gz NQNLTPHTUXCETG-PBHICJAKSA-N 0 1 416.569 -0.020 20 0 HBADMN C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000535709547 1068593827 /nfs/dbraw/zinc/59/38/27/1068593827.db2.gz NQNLTPHTUXCETG-RHSMWYFYSA-N 0 1 416.569 -0.020 20 0 HBADMN C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000535709548 1068593665 /nfs/dbraw/zinc/59/36/65/1068593665.db2.gz NQNLTPHTUXCETG-WMLDXEAASA-N 0 1 416.569 -0.020 20 0 HBADMN C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000535709551 1068593698 /nfs/dbraw/zinc/59/36/98/1068593698.db2.gz NQNLTPHTUXCETG-YOEHRIQHSA-N 0 1 416.569 -0.020 20 0 HBADMN COCCN1CCN(c2cc(N3CCN(CCOC)C(=O)C3)nc(C)n2)CC1=O ZINC000535784059 1068595911 /nfs/dbraw/zinc/59/59/11/1068595911.db2.gz WVPSHUDFAWFQSK-UHFFFAOYSA-N 0 1 406.487 -0.625 20 0 HBADMN O=C(CN1CCC(OCCO)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000536001356 1068779779 /nfs/dbraw/zinc/77/97/79/1068779779.db2.gz DRZKDRWEDNZWTK-UHFFFAOYSA-N 0 1 411.524 -0.007 20 0 HBADMN Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1S(C)(=O)=O ZINC000536109000 1068820201 /nfs/dbraw/zinc/82/02/01/1068820201.db2.gz RTOJDGADODWQSI-AWEZNQCLSA-N 0 1 410.496 -0.207 20 0 HBADMN Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1S(C)(=O)=O ZINC000536109004 1068820222 /nfs/dbraw/zinc/82/02/22/1068820222.db2.gz RTOJDGADODWQSI-CQSZACIVSA-N 0 1 410.496 -0.207 20 0 HBADMN CCN(CC)CCN(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000536216169 1068865878 /nfs/dbraw/zinc/86/58/78/1068865878.db2.gz UCSMAABTIRTDBZ-CYBMUJFWSA-N 0 1 407.514 -0.102 20 0 HBADMN CCN(CC)CCN(C(=O)c1coc(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000536216183 1068867503 /nfs/dbraw/zinc/86/75/03/1068867503.db2.gz UCSMAABTIRTDBZ-ZDUSSCGKSA-N 0 1 407.514 -0.102 20 0 HBADMN CC[C@@H](CO)N1CCN(C(=O)CCCC(=O)N2CCN([C@@H](CC)CO)CC2)CC1 ZINC000536224759 1069202575 /nfs/dbraw/zinc/20/25/75/1069202575.db2.gz GVLRHIDSBZLMGA-OALUTQOASA-N 0 1 412.575 -0.013 20 0 HBADMN CC[C@H](CO)N1CCN(C(=O)CCCC(=O)N2CCN([C@H](CC)CO)CC2)CC1 ZINC000536224761 1069202485 /nfs/dbraw/zinc/20/24/85/1069202485.db2.gz GVLRHIDSBZLMGA-RTBURBONSA-N 0 1 412.575 -0.013 20 0 HBADMN COC(=O)Cn1cc(CNC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nn1 ZINC000536314132 1070641197 /nfs/dbraw/zinc/64/11/97/1070641197.db2.gz FIGBRNTWULKSMU-DLBZAZTESA-N 0 1 402.455 -0.114 20 0 HBADMN COC(=O)Cn1cc(CNC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)nn1 ZINC000536314142 1070641218 /nfs/dbraw/zinc/64/12/18/1070641218.db2.gz FIGBRNTWULKSMU-IAGOWNOFSA-N 0 1 402.455 -0.114 20 0 HBADMN COC(=O)Cn1cc(CNC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nn1 ZINC000536314143 1070641299 /nfs/dbraw/zinc/64/12/99/1070641299.db2.gz FIGBRNTWULKSMU-IRXDYDNUSA-N 0 1 402.455 -0.114 20 0 HBADMN COC(=O)Cn1cc(CNC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nn1 ZINC000536314144 1070641305 /nfs/dbraw/zinc/64/13/05/1070641305.db2.gz FIGBRNTWULKSMU-SJORKVTESA-N 0 1 402.455 -0.114 20 0 HBADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000536334026 1070647218 /nfs/dbraw/zinc/64/72/18/1070647218.db2.gz QHVDCGHYUIXWKJ-HNNXBMFYSA-N 0 1 422.463 -0.055 20 0 HBADMN CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000536340593 1070648105 /nfs/dbraw/zinc/64/81/05/1070648105.db2.gz GGPJNPWIEZTQKN-UHFFFAOYSA-N 0 1 415.454 -0.731 20 0 HBADMN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000536341048 1070647275 /nfs/dbraw/zinc/64/72/75/1070647275.db2.gz KFVIOKNBOQNCQU-UHFFFAOYSA-N 0 1 410.456 -0.612 20 0 HBADMN Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000536341166 1070647095 /nfs/dbraw/zinc/64/70/95/1070647095.db2.gz MHPNHFAINFNWFM-UHFFFAOYSA-N 0 1 410.438 -0.322 20 0 HBADMN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cc21 ZINC000536341632 1070648066 /nfs/dbraw/zinc/64/80/66/1070648066.db2.gz UGAFGVVVOORVEZ-AWEZNQCLSA-N 0 1 414.422 -0.550 20 0 HBADMN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)cc21 ZINC000536341639 1070647799 /nfs/dbraw/zinc/64/77/99/1070647799.db2.gz UGAFGVVVOORVEZ-CQSZACIVSA-N 0 1 414.422 -0.550 20 0 HBADMN CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000536341713 1070648053 /nfs/dbraw/zinc/64/80/53/1070648053.db2.gz VLRMPVYLBJDISB-UHFFFAOYSA-N 0 1 422.467 -0.469 20 0 HBADMN CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000536342553 1070648777 /nfs/dbraw/zinc/64/87/77/1070648777.db2.gz YGUBUNXGDPLGGT-UHFFFAOYSA-N 0 1 408.440 -0.906 20 0 HBADMN CCN(CCCNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)S(C)(=O)=O ZINC000536343947 1070648589 /nfs/dbraw/zinc/64/85/89/1070648589.db2.gz LTDYLOITTCGUBE-UHFFFAOYSA-N 0 1 410.456 -0.612 20 0 HBADMN Cn1c(=O)c2cc(C(=O)NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345970 1070649758 /nfs/dbraw/zinc/64/97/58/1070649758.db2.gz OHKRLQTXULNWIX-DLBZAZTESA-N 0 1 423.473 -0.003 20 0 HBADMN Cn1c(=O)c2cc(C(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345971 1070649575 /nfs/dbraw/zinc/64/95/75/1070649575.db2.gz OHKRLQTXULNWIX-IAGOWNOFSA-N 0 1 423.473 -0.003 20 0 HBADMN Cn1c(=O)c2cc(C(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345972 1070650447 /nfs/dbraw/zinc/65/04/47/1070650447.db2.gz OHKRLQTXULNWIX-IRXDYDNUSA-N 0 1 423.473 -0.003 20 0 HBADMN Cn1c(=O)c2cc(C(=O)NC[C@H]3C[C@H](O)CN3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345973 1070650387 /nfs/dbraw/zinc/65/03/87/1070650387.db2.gz OHKRLQTXULNWIX-SJORKVTESA-N 0 1 423.473 -0.003 20 0 HBADMN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000536346527 1070649738 /nfs/dbraw/zinc/64/97/38/1070649738.db2.gz SHZMBLYKZWUPSY-BHYGNILZSA-N 0 1 421.523 -0.162 20 0 HBADMN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000536346528 1070649463 /nfs/dbraw/zinc/64/94/63/1070649463.db2.gz SHZMBLYKZWUPSY-UAGQMJEPSA-N 0 1 421.523 -0.162 20 0 HBADMN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000536346529 1070649673 /nfs/dbraw/zinc/64/96/73/1070649673.db2.gz SHZMBLYKZWUPSY-USXIJHARSA-N 0 1 421.523 -0.162 20 0 HBADMN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000536346530 1070649649 /nfs/dbraw/zinc/64/96/49/1070649649.db2.gz SHZMBLYKZWUPSY-XIRDDKMYSA-N 0 1 421.523 -0.162 20 0 HBADMN Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cn1C ZINC000536349117 1070650425 /nfs/dbraw/zinc/65/04/25/1070650425.db2.gz IKOKKVLCSSTYKS-DLBZAZTESA-N 0 1 421.523 -0.242 20 0 HBADMN Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cn1C ZINC000536349121 1070650476 /nfs/dbraw/zinc/65/04/76/1070650476.db2.gz IKOKKVLCSSTYKS-IAGOWNOFSA-N 0 1 421.523 -0.242 20 0 HBADMN Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cn1C ZINC000536349123 1070650222 /nfs/dbraw/zinc/65/02/22/1070650222.db2.gz IKOKKVLCSSTYKS-IRXDYDNUSA-N 0 1 421.523 -0.242 20 0 HBADMN Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cn1C ZINC000536349125 1070650411 /nfs/dbraw/zinc/65/04/11/1070650411.db2.gz IKOKKVLCSSTYKS-SJORKVTESA-N 0 1 421.523 -0.242 20 0 HBADMN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000536361110 1070652803 /nfs/dbraw/zinc/65/28/03/1070652803.db2.gz OZMIAGMALMBUDE-AWEZNQCLSA-N 0 1 417.466 -0.031 20 0 HBADMN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000536361111 1070652728 /nfs/dbraw/zinc/65/27/28/1070652728.db2.gz OZMIAGMALMBUDE-CQSZACIVSA-N 0 1 417.466 -0.031 20 0 HBADMN Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)c1=O ZINC000536362076 1070652067 /nfs/dbraw/zinc/65/20/67/1070652067.db2.gz BJANJQAJPQFPMF-UHFFFAOYSA-N 0 1 424.421 -0.957 20 0 HBADMN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000536362917 1070651894 /nfs/dbraw/zinc/65/18/94/1070651894.db2.gz KXMJFRHAHOWPLD-JTQLQIEISA-N 0 1 408.440 -0.860 20 0 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CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000551909824 1069596956 /nfs/dbraw/zinc/59/69/56/1069596956.db2.gz DODUQCSGIDVSJK-WFASDCNBSA-N 0 1 417.509 -0.093 20 0 HBADMN O=C([O-])[C@@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000551910098 1069597558 /nfs/dbraw/zinc/59/75/58/1069597558.db2.gz ZLDUZTMKTUIQNB-CABCVRRESA-N 0 1 417.509 -0.472 20 0 HBADMN O=C([O-])[C@@H]1[C@@H]2CCC[N@H+]2CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000551910101 1069597657 /nfs/dbraw/zinc/59/76/57/1069597657.db2.gz ZLDUZTMKTUIQNB-GJZGRUSLSA-N 0 1 417.509 -0.472 20 0 HBADMN O=C([O-])[C@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000551910102 1069597721 /nfs/dbraw/zinc/59/77/21/1069597721.db2.gz ZLDUZTMKTUIQNB-HUUCEWRRSA-N 0 1 417.509 -0.472 20 0 HBADMN O=C([O-])[C@H]1[C@@H]2CCC[N@H+]2CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000551910103 1069597486 /nfs/dbraw/zinc/59/74/86/1069597486.db2.gz ZLDUZTMKTUIQNB-LSDHHAIUSA-N 0 1 417.509 -0.472 20 0 HBADMN CCN(CC)C(=O)CN1CCC(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000552030841 1069717927 /nfs/dbraw/zinc/71/79/27/1069717927.db2.gz NISFYKICSZZBGM-INIZCTEOSA-N 0 1 402.561 -0.446 20 0 HBADMN CCN(CC)C(=O)CN1CCC(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000552030842 1069717980 /nfs/dbraw/zinc/71/79/80/1069717980.db2.gz NISFYKICSZZBGM-MRXNPFEDSA-N 0 1 402.561 -0.446 20 0 HBADMN CN1CC[C@H](N2CCC(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)C1=O ZINC000552044548 1069764312 /nfs/dbraw/zinc/76/43/12/1069764312.db2.gz GFDOORDCVCIKQV-HNNXBMFYSA-N 0 1 414.466 -0.943 20 0 HBADMN CN1CC[C@@H](N2CCC(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)C1=O ZINC000552044549 1069763998 /nfs/dbraw/zinc/76/39/98/1069763998.db2.gz GFDOORDCVCIKQV-OAHLLOKOSA-N 0 1 414.466 -0.943 20 0 HBADMN CN1CC[C@H](N2CCC(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)C1=O ZINC000552045132 1069764211 /nfs/dbraw/zinc/76/42/11/1069764211.db2.gz ZCJMCOLGLBKJMO-HNNXBMFYSA-N 0 1 414.466 -0.943 20 0 HBADMN CN1CC[C@@H](N2CCC(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)C1=O ZINC000552045133 1069764331 /nfs/dbraw/zinc/76/43/31/1069764331.db2.gz ZCJMCOLGLBKJMO-OAHLLOKOSA-N 0 1 414.466 -0.943 20 0 HBADMN CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000552134731 1069769329 /nfs/dbraw/zinc/76/93/29/1069769329.db2.gz IKGRECQEUNXXAL-MSOLQXFVSA-N 0 1 410.540 -0.086 20 0 HBADMN CNS(=O)(=O)N1CCC(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000552134734 1069769146 /nfs/dbraw/zinc/76/91/46/1069769146.db2.gz IKGRECQEUNXXAL-QZTJIDSGSA-N 0 1 410.540 -0.086 20 0 HBADMN CNS(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000552134735 1069769275 /nfs/dbraw/zinc/76/92/75/1069769275.db2.gz IKGRECQEUNXXAL-ROUUACIJSA-N 0 1 410.540 -0.086 20 0 HBADMN CNS(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000552134736 1069769478 /nfs/dbraw/zinc/76/94/78/1069769478.db2.gz IKGRECQEUNXXAL-ZWKOTPCHSA-N 0 1 410.540 -0.086 20 0 HBADMN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@H]3CCN(C4CC4)C3)C2)nc1 ZINC000552176139 1069771609 /nfs/dbraw/zinc/77/16/09/1069771609.db2.gz YGPSCSDUDFUAOC-AWEZNQCLSA-N 0 1 401.467 -0.084 20 0 HBADMN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)C2)nc1 ZINC000552176140 1069771662 /nfs/dbraw/zinc/77/16/62/1069771662.db2.gz YGPSCSDUDFUAOC-CQSZACIVSA-N 0 1 401.467 -0.084 20 0 HBADMN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000552176398 1069772374 /nfs/dbraw/zinc/77/23/74/1069772374.db2.gz FCHVHARYACDJQB-CVEARBPZSA-N 0 1 409.531 -0.975 20 0 HBADMN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000552176399 1069772101 /nfs/dbraw/zinc/77/21/01/1069772101.db2.gz FCHVHARYACDJQB-HOTGVXAUSA-N 0 1 409.531 -0.975 20 0 HBADMN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000552176400 1069772320 /nfs/dbraw/zinc/77/23/20/1069772320.db2.gz FCHVHARYACDJQB-HZPDHXFCSA-N 0 1 409.531 -0.975 20 0 HBADMN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000552176401 1069772068 /nfs/dbraw/zinc/77/20/68/1069772068.db2.gz FCHVHARYACDJQB-JKSUJKDBSA-N 0 1 409.531 -0.975 20 0 HBADMN O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)NCc1ccccc1 ZINC000552176977 1069771550 /nfs/dbraw/zinc/77/15/50/1069771550.db2.gz YDJGUFKDRDAPRE-GOSISDBHSA-N 0 1 413.522 -0.200 20 0 HBADMN O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1)NCc1ccccc1 ZINC000552176978 1069771641 /nfs/dbraw/zinc/77/16/41/1069771641.db2.gz YDJGUFKDRDAPRE-SFHVURJKSA-N 0 1 413.522 -0.200 20 0 HBADMN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)C1 ZINC000552185215 1069775303 /nfs/dbraw/zinc/77/53/03/1069775303.db2.gz NKWDPCLKUYQXMO-FGTMMUONSA-N 0 1 419.570 -0.012 20 0 HBADMN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC4)C3)CC2)C1 ZINC000552185216 1069775407 /nfs/dbraw/zinc/77/54/07/1069775407.db2.gz NKWDPCLKUYQXMO-KSZLIROESA-N 0 1 419.570 -0.012 20 0 HBADMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC4)C3)CC2)C1 ZINC000552185217 1069775280 /nfs/dbraw/zinc/77/52/80/1069775280.db2.gz NKWDPCLKUYQXMO-KURKYZTESA-N 0 1 419.570 -0.012 20 0 HBADMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)C1 ZINC000552185218 1069775388 /nfs/dbraw/zinc/77/53/88/1069775388.db2.gz NKWDPCLKUYQXMO-KZNAEPCWSA-N 0 1 419.570 -0.012 20 0 HBADMN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000552189279 1069775434 /nfs/dbraw/zinc/77/54/34/1069775434.db2.gz HWORNVCMVOPVHK-GDBMZVCRSA-N 0 1 416.544 -0.762 20 0 HBADMN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000552189280 1069775345 /nfs/dbraw/zinc/77/53/45/1069775345.db2.gz HWORNVCMVOPVHK-GOEBONIOSA-N 0 1 416.544 -0.762 20 0 HBADMN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000552189281 1069775165 /nfs/dbraw/zinc/77/51/65/1069775165.db2.gz HWORNVCMVOPVHK-HOCLYGCPSA-N 0 1 416.544 -0.762 20 0 HBADMN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000552189282 1069775199 /nfs/dbraw/zinc/77/51/99/1069775199.db2.gz HWORNVCMVOPVHK-ZBFHGGJFSA-N 0 1 416.544 -0.762 20 0 HBADMN O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000552189417 1069775252 /nfs/dbraw/zinc/77/52/52/1069775252.db2.gz NUKLHDIMQDLCTK-HNNXBMFYSA-N 0 1 418.519 -0.057 20 0 HBADMN O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000552189418 1069775364 /nfs/dbraw/zinc/77/53/64/1069775364.db2.gz NUKLHDIMQDLCTK-OAHLLOKOSA-N 0 1 418.519 -0.057 20 0 HBADMN CN1CC[C@H](N2CCC(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)C1=O ZINC000552250002 1069776774 /nfs/dbraw/zinc/77/67/74/1069776774.db2.gz SDWCMUVEICQEIU-HNNXBMFYSA-N 0 1 402.451 -0.044 20 0 HBADMN CN1CC[C@@H](N2CCC(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)C1=O ZINC000552250003 1069776410 /nfs/dbraw/zinc/77/64/10/1069776410.db2.gz SDWCMUVEICQEIU-OAHLLOKOSA-N 0 1 402.451 -0.044 20 0 HBADMN COCCN1CCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000552316588 1069785022 /nfs/dbraw/zinc/78/50/22/1069785022.db2.gz VOLWPDBDLRKQDR-UHFFFAOYSA-N 0 1 404.515 -0.760 20 0 HBADMN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000552316655 1069784696 /nfs/dbraw/zinc/78/46/96/1069784696.db2.gz XKMXBWWYLDVFPD-UHFFFAOYSA-N 0 1 418.542 -0.635 20 0 HBADMN CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000552316702 1069784907 /nfs/dbraw/zinc/78/49/07/1069784907.db2.gz YNUUMAUXRIUMFV-CYBMUJFWSA-N 0 1 403.405 -0.169 20 0 HBADMN CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000552316705 1069784937 /nfs/dbraw/zinc/78/49/37/1069784937.db2.gz YNUUMAUXRIUMFV-ZDUSSCGKSA-N 0 1 403.405 -0.169 20 0 HBADMN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000552316760 1069784675 /nfs/dbraw/zinc/78/46/75/1069784675.db2.gz ZSJLVSXDFUPZTN-FQEVSTJZSA-N 0 1 402.499 -0.566 20 0 HBADMN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000552316761 1069784968 /nfs/dbraw/zinc/78/49/68/1069784968.db2.gz ZSJLVSXDFUPZTN-HXUWFJFHSA-N 0 1 402.499 -0.566 20 0 HBADMN CCNC(=O)C1(CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CCC1 ZINC000552317292 1069784632 /nfs/dbraw/zinc/78/46/32/1069784632.db2.gz MBYHSGWJJVVHCA-UHFFFAOYSA-N 0 1 416.526 -0.128 20 0 HBADMN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000552317330 1069784856 /nfs/dbraw/zinc/78/48/56/1069784856.db2.gz OQCJOLXDAFLCDW-INIZCTEOSA-N 0 1 407.540 -0.224 20 0 HBADMN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCSC[C@H]2CCO)CC1 ZINC000552317331 1069784983 /nfs/dbraw/zinc/78/49/83/1069784983.db2.gz OQCJOLXDAFLCDW-MRXNPFEDSA-N 0 1 407.540 -0.224 20 0 HBADMN CCCN1CCCN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CC1=O ZINC000552317463 1069784739 /nfs/dbraw/zinc/78/47/39/1069784739.db2.gz SDPSZJOPBASFAH-UHFFFAOYSA-N 0 1 416.526 -0.080 20 0 HBADMN CN(C)c1ncc(CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)n1C ZINC000552317750 1069784997 /nfs/dbraw/zinc/78/49/97/1069784997.db2.gz XYXWDGDAURFZSL-UHFFFAOYSA-N 0 1 414.514 -0.435 20 0 HBADMN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000552317774 1069784757 /nfs/dbraw/zinc/78/47/57/1069784757.db2.gz ZAOCWEHNWAUFRV-KRWDZBQOSA-N 0 1 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ZINC000787738925 1070382013 /nfs/dbraw/zinc/38/20/13/1070382013.db2.gz SFWJOINIDCKLME-KRWDZBQOSA-N 0 1 410.540 -0.406 20 0 HBADMN CN(CCS(C)(=O)=O)C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000787738927 1070382245 /nfs/dbraw/zinc/38/22/45/1070382245.db2.gz SFWJOINIDCKLME-QGZVFWFLSA-N 0 1 410.540 -0.406 20 0 HBADMN CCS(=O)(=O)CCNC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000787849532 1070384714 /nfs/dbraw/zinc/38/47/14/1070384714.db2.gz AXEIZOJFFJTPKZ-UHFFFAOYSA-N 0 1 410.540 -0.134 20 0 HBADMN CN(CCS(C)(=O)=O)C(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000787850508 1070384977 /nfs/dbraw/zinc/38/49/77/1070384977.db2.gz HFQUADRWZXYECO-UHFFFAOYSA-N 0 1 410.540 -0.182 20 0 HBADMN CN1CCN(c2ccc(NC(=O)C(=O)NCc3nn[nH]n3)cc2Br)CC1 ZINC000787886696 1070386081 /nfs/dbraw/zinc/38/60/81/1070386081.db2.gz PGWPSFIRBPONPX-UHFFFAOYSA-N 0 1 423.275 -0.031 20 0 HBADMN CN(C(=O)C(=O)NCCCCN1CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000787903933 1070386023 /nfs/dbraw/zinc/38/60/23/1070386023.db2.gz OXHFAUISZVZSQX-CYBMUJFWSA-N 0 1 408.421 -0.163 20 0 HBADMN CN(C(=O)C(=O)NCCCCN1CCOCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787903934 1070385868 /nfs/dbraw/zinc/38/58/68/1070385868.db2.gz OXHFAUISZVZSQX-ZDUSSCGKSA-N 0 1 408.421 -0.163 20 0 HBADMN Cc1[nH]nc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1Br ZINC000787996858 1070392018 /nfs/dbraw/zinc/39/20/18/1070392018.db2.gz ASIYRUDSGNCMJY-NXEZZACHSA-N 0 1 407.290 -0.604 20 0 HBADMN Cc1[nH]nc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1Br ZINC000787996862 1070392120 /nfs/dbraw/zinc/39/21/20/1070392120.db2.gz ASIYRUDSGNCMJY-UWVGGRQHSA-N 0 1 407.290 -0.604 20 0 HBADMN Cc1[nH]nc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1Br ZINC000787996864 1070391539 /nfs/dbraw/zinc/39/15/39/1070391539.db2.gz ASIYRUDSGNCMJY-VHSXEESVSA-N 0 1 407.290 -0.604 20 0 HBADMN Cc1[nH]nc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1Br ZINC000787996866 1070391437 /nfs/dbraw/zinc/39/14/37/1070391437.db2.gz ASIYRUDSGNCMJY-ZJUUUORDSA-N 0 1 407.290 -0.604 20 0 HBADMN Cc1cccc(N2CCN(CCCNC(=O)C(=O)NCCS(C)(=O)=O)CC2)c1 ZINC000788038417 1070395337 /nfs/dbraw/zinc/39/53/37/1070395337.db2.gz ADVHVDPTEMZEIB-UHFFFAOYSA-N 0 1 410.540 -0.216 20 0 HBADMN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)cc1 ZINC000788146918 1070400861 /nfs/dbraw/zinc/40/08/61/1070400861.db2.gz DHOOTYVXIKXEDH-CYBMUJFWSA-N 0 1 424.508 -0.008 20 0 HBADMN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2nn[nH]n2)cc1 ZINC000788146920 1070400837 /nfs/dbraw/zinc/40/08/37/1070400837.db2.gz DHOOTYVXIKXEDH-ZDUSSCGKSA-N 0 1 424.508 -0.008 20 0 HBADMN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)c1 ZINC000788149577 1070400667 /nfs/dbraw/zinc/40/06/67/1070400667.db2.gz POSYYGMSKVXOQT-LLVKDONJSA-N 0 1 401.474 -0.617 20 0 HBADMN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCSC[C@H]2c2nn[nH]n2)c1 ZINC000788149578 1070400925 /nfs/dbraw/zinc/40/09/25/1070400925.db2.gz POSYYGMSKVXOQT-NSHDSACASA-N 0 1 401.474 -0.617 20 0 HBADMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000788150442 1070399624 /nfs/dbraw/zinc/39/96/24/1070399624.db2.gz WSPKFBFTNRXGAL-GXSJLCMTSA-N 0 1 414.517 -0.466 20 0 HBADMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCSC[C@H]1c1nn[nH]n1 ZINC000788150453 1070400104 /nfs/dbraw/zinc/40/01/04/1070400104.db2.gz WSPKFBFTNRXGAL-KOLCDFICSA-N 0 1 414.517 -0.466 20 0 HBADMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000788150735 1070400891 /nfs/dbraw/zinc/40/08/91/1070400891.db2.gz WSPKFBFTNRXGAL-MWLCHTKSSA-N 0 1 414.517 -0.466 20 0 HBADMN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCSC[C@H]1c1nn[nH]n1 ZINC000788150736 1070400760 /nfs/dbraw/zinc/40/07/60/1070400760.db2.gz WSPKFBFTNRXGAL-ONGXEEELSA-N 0 1 414.517 -0.466 20 0 HBADMN CNS(=O)(=O)c1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1O ZINC000788166124 1070404802 /nfs/dbraw/zinc/40/48/02/1070404802.db2.gz HNRXIHDPSBWGSZ-UHFFFAOYSA-N 0 1 412.449 -0.264 20 0 HBADMN O=C(C(=O)N1CCN(C(=O)c2cc(Br)[nH]n2)CC1)N1CCOCC1 ZINC000788267851 1070407045 /nfs/dbraw/zinc/40/70/45/1070407045.db2.gz PPXMOYJKZKPOTL-UHFFFAOYSA-N 0 1 400.233 -0.685 20 0 HBADMN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(Br)[nH]n3)CC2)CC1 ZINC000788279966 1070407783 /nfs/dbraw/zinc/40/77/83/1070407783.db2.gz ILGABCBQJKEQGZ-UHFFFAOYSA-N 0 1 421.321 -0.578 20 0 HBADMN C[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1cc(F)ccc1N1CCN(C)CC1 ZINC000788394313 1070413901 /nfs/dbraw/zinc/41/39/01/1070413901.db2.gz ZKOPFLHLCMMMCN-CYBMUJFWSA-N 0 1 414.503 -0.085 20 0 HBADMN C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1cc(F)ccc1N1CCN(C)CC1 ZINC000788394318 1070413927 /nfs/dbraw/zinc/41/39/27/1070413927.db2.gz ZKOPFLHLCMMMCN-ZDUSSCGKSA-N 0 1 414.503 -0.085 20 0 HBADMN CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000788850982 1070422827 /nfs/dbraw/zinc/42/28/27/1070422827.db2.gz ACBRBQPWVWWBFJ-KBPBESRZSA-N 0 1 409.487 -0.014 20 0 HBADMN CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN3C(=O)NC(=O)[C@@H]3C2)C1 ZINC000788850983 1070422690 /nfs/dbraw/zinc/42/26/90/1070422690.db2.gz ACBRBQPWVWWBFJ-KGLIPLIRSA-N 0 1 409.487 -0.014 20 0 HBADMN CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000788850984 1070422643 /nfs/dbraw/zinc/42/26/43/1070422643.db2.gz ACBRBQPWVWWBFJ-UONOGXRCSA-N 0 1 409.487 -0.014 20 0 HBADMN CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN3C(=O)NC(=O)[C@H]3C2)C1 ZINC000788850985 1070422844 /nfs/dbraw/zinc/42/28/44/1070422844.db2.gz ACBRBQPWVWWBFJ-ZIAGYGMSSA-N 0 1 409.487 -0.014 20 0 HBADMN Cc1[nH]ncc1CNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000788874410 1070423514 /nfs/dbraw/zinc/42/35/14/1070423514.db2.gz LJCJJXQIZVRWAC-UHFFFAOYSA-N 0 1 416.463 -0.372 20 0 HBADMN Cc1[nH]ncc1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788875189 1070423562 /nfs/dbraw/zinc/42/35/62/1070423562.db2.gz MDJAERSKGOFEJX-UHFFFAOYSA-N 0 1 408.459 -0.470 20 0 HBADMN Cn1c(C(=O)OCCOCCNC(=O)C(F)(F)F)cc2c1n(C)c(=O)n(C)c2=O ZINC000789468639 1070439754 /nfs/dbraw/zinc/43/97/54/1070439754.db2.gz WMHWKNRJOXBYRY-UHFFFAOYSA-N 0 1 420.344 -0.572 20 0 HBADMN COc1cc(CNC[C@@H]2CC(C(N)=O)=NO2)ccc1OCC(=O)N1CCOCC1 ZINC000789561276 1070442554 /nfs/dbraw/zinc/44/25/54/1070442554.db2.gz RONJWSBADOQRRA-AWEZNQCLSA-N 0 1 406.439 -0.347 20 0 HBADMN COc1cc(CNC[C@H]2CC(C(N)=O)=NO2)ccc1OCC(=O)N1CCOCC1 ZINC000789561280 1070442668 /nfs/dbraw/zinc/44/26/68/1070442668.db2.gz RONJWSBADOQRRA-CQSZACIVSA-N 0 1 406.439 -0.347 20 0 HBADMN COCCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000789823311 1070448723 /nfs/dbraw/zinc/44/87/23/1070448723.db2.gz PWYIRZPFDRNZFD-UHFFFAOYSA-N 0 1 414.484 -0.355 20 0 HBADMN COCCO[N-]C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000789823311 1070448719 /nfs/dbraw/zinc/44/87/19/1070448719.db2.gz PWYIRZPFDRNZFD-UHFFFAOYSA-N 0 1 414.484 -0.355 20 0 HBADMN O=C(CSc1n[nH]c(=S)s1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000789848874 1070449579 /nfs/dbraw/zinc/44/95/79/1070449579.db2.gz BOBRMWGVYIUNJI-UHFFFAOYSA-N 0 1 407.528 -0.430 20 0 HBADMN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000789889216 1070449618 /nfs/dbraw/zinc/44/96/18/1070449618.db2.gz JVWJXDALKRPRRS-JQWIXIFHSA-N 0 1 415.434 -0.159 20 0 HBADMN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000789889231 1070449481 /nfs/dbraw/zinc/44/94/81/1070449481.db2.gz JVWJXDALKRPRRS-PWSUYJOCSA-N 0 1 415.434 -0.159 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000789895913 1070451800 /nfs/dbraw/zinc/45/18/00/1070451800.db2.gz MNGYOFGUWQUHSR-KOLCDFICSA-N 0 1 401.407 -0.501 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000789895919 1070451805 /nfs/dbraw/zinc/45/18/05/1070451805.db2.gz MNGYOFGUWQUHSR-ONGXEEELSA-N 0 1 401.407 -0.501 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000789895960 1070451101 /nfs/dbraw/zinc/45/11/01/1070451101.db2.gz OMYHUGDDVITBAQ-KOLCDFICSA-N 0 1 401.407 -0.549 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000789895961 1070450951 /nfs/dbraw/zinc/45/09/51/1070450951.db2.gz OMYHUGDDVITBAQ-ONGXEEELSA-N 0 1 401.407 -0.549 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000789901308 1070451842 /nfs/dbraw/zinc/45/18/42/1070451842.db2.gz MBYJDGKKTIOJCX-AWEZNQCLSA-N 0 1 420.388 -0.491 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000789906245 1070451788 /nfs/dbraw/zinc/45/17/88/1070451788.db2.gz YNXOKWBLAVQALT-NSHDSACASA-N 0 1 402.439 -0.617 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000789919643 1070450333 /nfs/dbraw/zinc/45/03/33/1070450333.db2.gz KVONAPZSIMQXFK-SRVKXCTJSA-N 0 1 415.434 -0.697 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000789919644 1070450229 /nfs/dbraw/zinc/45/02/29/1070450229.db2.gz KVONAPZSIMQXFK-TUAOUCFPSA-N 0 1 415.434 -0.697 20 0 HBADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000789919645 1070450431 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NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](O)c1ccc(O)cc1 ZINC001144615674 1071052211 /nfs/dbraw/zinc/05/22/11/1071052211.db2.gz ACKVFSIDERTMHF-HRCADAONSA-N 0 1 401.423 -0.648 20 0 HBADMN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](O)c1ccc(O)cc1 ZINC001144615684 1071052293 /nfs/dbraw/zinc/05/22/93/1071052293.db2.gz ACKVFSIDERTMHF-JYJNAYRXSA-N 0 1 401.423 -0.648 20 0 HBADMN CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144700384 1071054106 /nfs/dbraw/zinc/05/41/06/1071054106.db2.gz QJEOFQNDHLTLBF-PMPSAXMXSA-N 0 1 406.487 -0.536 20 0 HBADMN COc1ccc([C@H](O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001144785548 1071055220 /nfs/dbraw/zinc/05/52/20/1071055220.db2.gz HHOBGPKTIHBGQN-ULQDDVLXSA-N 0 1 415.450 -0.345 20 0 HBADMN COc1ccc([C@@H](O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001144785549 1071055067 /nfs/dbraw/zinc/05/50/67/1071055067.db2.gz HHOBGPKTIHBGQN-YESZJQIVSA-N 0 1 415.450 -0.345 20 0 HBADMN COc1ccc(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1O ZINC001144794656 1071055178 /nfs/dbraw/zinc/05/51/78/1071055178.db2.gz OJDVDMFHNMNJJS-GJZGRUSLSA-N 0 1 415.450 -0.130 20 0 HBADMN COC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144812373 1071055252 /nfs/dbraw/zinc/05/52/52/1071055252.db2.gz SECMOFLRCOBISL-UGUYLWEFSA-N 0 1 419.482 -0.107 20 0 HBADMN CSCC[C@H](NC(C)=O)C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001144857027 1071056735 /nfs/dbraw/zinc/05/67/35/1071056735.db2.gz LDYBFERLJBYKNO-LBPRGKRZSA-N 0 1 404.514 -0.134 20 0 HBADMN CN1CCN(c2ccccc2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001144864717 1071057051 /nfs/dbraw/zinc/05/70/51/1071057051.db2.gz GICNDUNNVADETB-UHFFFAOYSA-N 0 1 414.466 -0.494 20 0 HBADMN CSCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144866228 1071057385 /nfs/dbraw/zinc/05/73/85/1071057385.db2.gz SROIWWGPZCIRII-KKUMJFAQSA-N 0 1 424.527 -0.829 20 0 HBADMN CN1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cccc2[C@@H](c2ccccc2)C1 ZINC001144901690 1071062629 /nfs/dbraw/zinc/06/26/29/1071062629.db2.gz FNNCVEFVNZONLJ-HUYLIWGRSA-N 0 1 414.458 -0.154 20 0 HBADMN CN1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cccc2[C@H](c2ccccc2)C1 ZINC001144901691 1071062326 /nfs/dbraw/zinc/06/23/26/1071062326.db2.gz FNNCVEFVNZONLJ-KCUHQSDYSA-N 0 1 414.458 -0.154 20 0 HBADMN CN1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cccc2[C@@H](c2ccccc2)C1 ZINC001144901692 1071062472 /nfs/dbraw/zinc/06/24/72/1071062472.db2.gz FNNCVEFVNZONLJ-XWPNQZOQSA-N 0 1 414.458 -0.154 20 0 HBADMN CN1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cccc2[C@H](c2ccccc2)C1 ZINC001144901693 1071062746 /nfs/dbraw/zinc/06/27/46/1071062746.db2.gz FNNCVEFVNZONLJ-YGWPLHOASA-N 0 1 414.458 -0.154 20 0 HBADMN COc1cccc(C[C@@H](N)C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)c1 ZINC001144933166 1071067476 /nfs/dbraw/zinc/06/74/76/1071067476.db2.gz JOTPQRFFCHJREK-CYBMUJFWSA-N 0 1 401.427 -0.520 20 0 HBADMN COc1cccc(C[C@H](N)C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)c1 ZINC001144933171 1071067597 /nfs/dbraw/zinc/06/75/97/1071067597.db2.gz JOTPQRFFCHJREK-ZDUSSCGKSA-N 0 1 401.427 -0.520 20 0 HBADMN COc1cccc(C[C@H](N)C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)c1 ZINC001144936640 1071068163 /nfs/dbraw/zinc/06/81/63/1071068163.db2.gz XLLQQAZCIKGLPO-INIZCTEOSA-N 0 1 416.482 -0.196 20 0 HBADMN COc1cccc(C[C@@H](N)C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)c1 ZINC001144936641 1071068332 /nfs/dbraw/zinc/06/83/32/1071068332.db2.gz XLLQQAZCIKGLPO-MRXNPFEDSA-N 0 1 416.482 -0.196 20 0 HBADMN COc1cccc(C[C@H](N)C(=O)N2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)c1 ZINC001144937417 1071068259 /nfs/dbraw/zinc/06/82/59/1071068259.db2.gz QSKNQGQKZVSMRH-MSOLQXFVSA-N 0 1 402.495 -0.040 20 0 HBADMN COc1cccc(C[C@@H](N)C(=O)N2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)c1 ZINC001144937418 1071068190 /nfs/dbraw/zinc/06/81/90/1071068190.db2.gz QSKNQGQKZVSMRH-QZTJIDSGSA-N 0 1 402.495 -0.040 20 0 HBADMN 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FVEISEZKYBRKTA-JKSUJKDBSA-N 0 1 409.574 -0.911 20 0 HBADMN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC001192143448 1071665255 /nfs/dbraw/zinc/66/52/55/1071665255.db2.gz KWDQQPCJTSFYRD-UHFFFAOYSA-N 0 1 400.486 -0.781 20 0 HBADMN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC001192151746 1071664599 /nfs/dbraw/zinc/66/45/99/1071664599.db2.gz AAJRHCQWOUSEHC-UHFFFAOYSA-N 0 1 415.497 -0.277 20 0 HBADMN COc1cc2c(cc1S(=O)(=O)N1CCN(Cc3nnc[nH]3)CC1)C(=O)NCCC2 ZINC001192153014 1071665110 /nfs/dbraw/zinc/66/51/10/1071665110.db2.gz NMXVCRFTCLKNNU-UHFFFAOYSA-N 0 1 420.495 -0.004 20 0 HBADMN COCc1nc(CNS(=O)(=O)c2cnn(C)c2I)n[nH]1 ZINC001192221396 1071665735 /nfs/dbraw/zinc/66/57/35/1071665735.db2.gz NPYCVDSVCFOTBA-UHFFFAOYSA-N 0 1 412.213 -0.232 20 0 HBADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC(O)(CO)CC1 ZINC001192286444 1071666311 /nfs/dbraw/zinc/66/63/11/1071666311.db2.gz PMFQWUSQJMGXKZ-UHFFFAOYSA-N 0 1 408.498 -0.035 20 0 HBADMN 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1071690765 /nfs/dbraw/zinc/69/07/65/1071690765.db2.gz KSTXUMWWOIRHNK-SFHVURJKSA-N 0 1 419.544 -0.182 20 0 HBADMN CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001193727084 1071690609 /nfs/dbraw/zinc/69/06/09/1071690609.db2.gz UBMOLNIJPXZKSK-GJZGRUSLSA-N 0 1 413.438 -0.420 20 0 HBADMN COCC[N@@H+](C)CCN1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CC1=O ZINC001193730107 1071690682 /nfs/dbraw/zinc/69/06/82/1071690682.db2.gz MVUBHJQGOHWPNW-GFCCVEGCSA-N 0 1 403.457 -0.476 20 0 HBADMN COCC[N@H+](C)CCN1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CC1=O ZINC001193730107 1071690678 /nfs/dbraw/zinc/69/06/78/1071690678.db2.gz MVUBHJQGOHWPNW-GFCCVEGCSA-N 0 1 403.457 -0.476 20 0 HBADMN COCC[N@@H+](C)CCN1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CC1=O ZINC001193730108 1071690750 /nfs/dbraw/zinc/69/07/50/1071690750.db2.gz MVUBHJQGOHWPNW-LBPRGKRZSA-N 0 1 403.457 -0.476 20 0 HBADMN COCC[N@H+](C)CCN1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)CC1=O ZINC001193730108 1071690745 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