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C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)c2)C[C@@H](C)O1 ZINC000495496117 1067957307 /nfs/dbraw/zinc/95/73/07/1067957307.db2.gz BTQJLPFRFUKPNU-OPYAIIAOSA-N 1 1 478.615 0.863 20 0 JCADMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000495496119 1067957195 /nfs/dbraw/zinc/95/71/95/1067957195.db2.gz BTQJLPFRFUKPNU-UEXGIBASSA-N 1 1 478.615 0.863 20 0 JCADMO COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)CC2=O)cc1OC ZINC000495502326 1067956533 /nfs/dbraw/zinc/95/65/33/1067956533.db2.gz PVOWKGPAOQEWNV-PMACEKPBSA-N 1 1 472.586 0.860 20 0 JCADMO COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)CC2=O)cc1OC ZINC000495502329 1067956552 /nfs/dbraw/zinc/95/65/52/1067956552.db2.gz PVOWKGPAOQEWNV-UXHICEINSA-N 1 1 472.586 0.860 20 0 JCADMO COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)CC2=O)cc1OC ZINC000495502330 1067956748 /nfs/dbraw/zinc/95/67/48/1067956748.db2.gz PVOWKGPAOQEWNV-VQTJNVASSA-N 1 1 472.586 0.860 20 0 JCADMO COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)CC2=O)cc1OC ZINC000495502331 1067956611 /nfs/dbraw/zinc/95/66/11/1067956611.db2.gz PVOWKGPAOQEWNV-WOJBJXKFSA-N 1 1 472.586 0.860 20 0 JCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000495502869 1067956734 /nfs/dbraw/zinc/95/67/34/1067956734.db2.gz UFPYPEUQUGAIII-INIZCTEOSA-N 1 1 456.590 0.148 20 0 JCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000495502870 1067956571 /nfs/dbraw/zinc/95/65/71/1067956571.db2.gz UFPYPEUQUGAIII-MRXNPFEDSA-N 1 1 456.590 0.148 20 0 JCADMO COc1cc2ncn(CCCC(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)c(=O)c2cc1OC ZINC000495505331 1067958110 /nfs/dbraw/zinc/95/81/10/1067958110.db2.gz DMPBTRJSDGOEDB-IBGZPJMESA-N 1 1 471.558 0.959 20 0 JCADMO COc1cc2ncn(CCCC(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)c(=O)c2cc1OC ZINC000495505332 1067957946 /nfs/dbraw/zinc/95/79/46/1067957946.db2.gz DMPBTRJSDGOEDB-LJQANCHMSA-N 1 1 471.558 0.959 20 0 JCADMO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000495505368 1067957974 /nfs/dbraw/zinc/95/79/74/1067957974.db2.gz FFPUBTOEEHESJI-FQEVSTJZSA-N 1 1 466.604 0.861 20 0 JCADMO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000495505369 1067958002 /nfs/dbraw/zinc/95/80/02/1067958002.db2.gz FFPUBTOEEHESJI-HXUWFJFHSA-N 1 1 466.604 0.861 20 0 JCADMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000495505573 1067957576 /nfs/dbraw/zinc/95/75/76/1067957576.db2.gz JWAFFUCABUVTDO-FQEVSTJZSA-N 1 1 464.588 0.395 20 0 JCADMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000495505574 1067957986 /nfs/dbraw/zinc/95/79/86/1067957986.db2.gz JWAFFUCABUVTDO-HXUWFJFHSA-N 1 1 464.588 0.395 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)C1 ZINC000495505957 1067957238 /nfs/dbraw/zinc/95/72/38/1067957238.db2.gz SEVUDXDAYKHEDG-MSOLQXFVSA-N 1 1 467.592 0.457 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)C1 ZINC000495505958 1067957117 /nfs/dbraw/zinc/95/71/17/1067957117.db2.gz SEVUDXDAYKHEDG-QZTJIDSGSA-N 1 1 467.592 0.457 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)C1 ZINC000495505959 1067957253 /nfs/dbraw/zinc/95/72/53/1067957253.db2.gz SEVUDXDAYKHEDG-ROUUACIJSA-N 1 1 467.592 0.457 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)C1 ZINC000495505960 1067957133 /nfs/dbraw/zinc/95/71/33/1067957133.db2.gz SEVUDXDAYKHEDG-ZWKOTPCHSA-N 1 1 467.592 0.457 20 0 JCADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000495505974 1067957164 /nfs/dbraw/zinc/95/71/64/1067957164.db2.gz SLJRMUMPNCZWOW-GOSISDBHSA-N 1 1 464.588 0.858 20 0 JCADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000495505975 1067957178 /nfs/dbraw/zinc/95/71/78/1067957178.db2.gz SLJRMUMPNCZWOW-SFHVURJKSA-N 1 1 464.588 0.858 20 0 JCADMO Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000495506608 1067957080 /nfs/dbraw/zinc/95/70/80/1067957080.db2.gz ZHJVFBXXMFDGPH-IBGZPJMESA-N 1 1 464.588 0.395 20 0 JCADMO Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000495506609 1067957208 /nfs/dbraw/zinc/95/72/08/1067957208.db2.gz ZHJVFBXXMFDGPH-LJQANCHMSA-N 1 1 464.588 0.395 20 0 JCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000495520803 1067958893 /nfs/dbraw/zinc/95/88/93/1067958893.db2.gz IHQIYRUKYHHJHO-FXAWDEMLSA-N 1 1 466.579 0.991 20 0 JCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000495520804 1067958877 /nfs/dbraw/zinc/95/88/77/1067958877.db2.gz IHQIYRUKYHHJHO-PXNSSMCTSA-N 1 1 466.579 0.991 20 0 JCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000495520805 1067958744 /nfs/dbraw/zinc/95/87/44/1067958744.db2.gz IHQIYRUKYHHJHO-XLIONFOSSA-N 1 1 466.579 0.991 20 0 JCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000495520806 1067958835 /nfs/dbraw/zinc/95/88/35/1067958835.db2.gz IHQIYRUKYHHJHO-YLJYHZDGSA-N 1 1 466.579 0.991 20 0 JCADMO CN(CCCC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000495521176 1067959270 /nfs/dbraw/zinc/95/92/70/1067959270.db2.gz LPIFKWQQDUFSHA-IBGZPJMESA-N 1 1 454.568 0.991 20 0 JCADMO CN(CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000495521177 1067959185 /nfs/dbraw/zinc/95/91/85/1067959185.db2.gz LPIFKWQQDUFSHA-LJQANCHMSA-N 1 1 454.568 0.991 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000495521364 1067959241 /nfs/dbraw/zinc/95/92/41/1067959241.db2.gz NFMLRVKUPNSTKS-GOSISDBHSA-N 1 1 467.592 0.457 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000495521365 1067959223 /nfs/dbraw/zinc/95/92/23/1067959223.db2.gz NFMLRVKUPNSTKS-SFHVURJKSA-N 1 1 467.592 0.457 20 0 JCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000495522053 1067958076 /nfs/dbraw/zinc/95/80/76/1067958076.db2.gz UKZKABLIIBPGNY-IBGZPJMESA-N 1 1 450.561 0.086 20 0 JCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000495522054 1067958033 /nfs/dbraw/zinc/95/80/33/1067958033.db2.gz UKZKABLIIBPGNY-LJQANCHMSA-N 1 1 450.561 0.086 20 0 JCADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)NC(C)C ZINC000495551253 1067962360 /nfs/dbraw/zinc/96/23/60/1067962360.db2.gz VLNNCDUFUCIKIW-KRWDZBQOSA-N 1 1 452.577 0.761 20 0 JCADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)NC(C)C ZINC000495551254 1067962222 /nfs/dbraw/zinc/96/22/22/1067962222.db2.gz VLNNCDUFUCIKIW-QGZVFWFLSA-N 1 1 452.577 0.761 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000495936209 1068034766 /nfs/dbraw/zinc/03/47/66/1068034766.db2.gz BRDQKBFLCADSDG-IBGZPJMESA-N 1 1 481.619 0.849 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000495936209 1068034755 /nfs/dbraw/zinc/03/47/55/1068034755.db2.gz BRDQKBFLCADSDG-IBGZPJMESA-N 1 1 481.619 0.849 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000495936210 1068034478 /nfs/dbraw/zinc/03/44/78/1068034478.db2.gz BRDQKBFLCADSDG-LJQANCHMSA-N 1 1 481.619 0.849 20 0 JCADMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000495936210 1068034461 /nfs/dbraw/zinc/03/44/61/1068034461.db2.gz BRDQKBFLCADSDG-LJQANCHMSA-N 1 1 481.619 0.849 20 0 JCADMO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)N1CCCC1 ZINC000495982564 1068037245 /nfs/dbraw/zinc/03/72/45/1068037245.db2.gz PDDQBWWJWNGSOH-GOSISDBHSA-N 1 1 456.543 0.967 20 0 JCADMO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)N1CCCC1 ZINC000495982564 1068037234 /nfs/dbraw/zinc/03/72/34/1068037234.db2.gz PDDQBWWJWNGSOH-GOSISDBHSA-N 1 1 456.543 0.967 20 0 JCADMO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)N1CCCC1 ZINC000495982565 1068037182 /nfs/dbraw/zinc/03/71/82/1068037182.db2.gz PDDQBWWJWNGSOH-SFHVURJKSA-N 1 1 456.543 0.967 20 0 JCADMO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)N1CCCC1 ZINC000495982565 1068037168 /nfs/dbraw/zinc/03/71/68/1068037168.db2.gz PDDQBWWJWNGSOH-SFHVURJKSA-N 1 1 456.543 0.967 20 0 JCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000495998833 1068038453 /nfs/dbraw/zinc/03/84/53/1068038453.db2.gz DMSRIFWPIMFGAG-UHFFFAOYSA-N 1 1 481.619 0.036 20 0 JCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000495998833 1068038446 /nfs/dbraw/zinc/03/84/46/1068038446.db2.gz DMSRIFWPIMFGAG-UHFFFAOYSA-N 1 1 481.619 0.036 20 0 JCADMO COCCOCC(=O)NC1CCC(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000496000112 1068038363 /nfs/dbraw/zinc/03/83/63/1068038363.db2.gz PWSIMGCYSSEBNZ-UHFFFAOYSA-N 1 1 452.596 0.481 20 0 JCADMO 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MCRGCQAQTCRYIN-UHFFFAOYSA-N 1 1 465.558 0.962 20 0 JCADMO C[N@H+]1CCN(CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000502402185 1068354916 /nfs/dbraw/zinc/35/49/16/1068354916.db2.gz BMNUZOAHMMAXGV-JOCHJYFZSA-N 1 1 486.617 0.078 20 0 JCADMO C[N@@H+]1CCN(CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000502402185 1068354904 /nfs/dbraw/zinc/35/49/04/1068354904.db2.gz BMNUZOAHMMAXGV-JOCHJYFZSA-N 1 1 486.617 0.078 20 0 JCADMO CN1CC[N@@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000502402185 1068354895 /nfs/dbraw/zinc/35/48/95/1068354895.db2.gz BMNUZOAHMMAXGV-JOCHJYFZSA-N 1 1 486.617 0.078 20 0 JCADMO C[N@H+]1CCN(CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@H](c2ccccc2)C1 ZINC000502402186 1068355204 /nfs/dbraw/zinc/35/52/04/1068355204.db2.gz BMNUZOAHMMAXGV-QFIPXVFZSA-N 1 1 486.617 0.078 20 0 JCADMO C[N@@H+]1CCN(CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@H](c2ccccc2)C1 ZINC000502402186 1068355185 /nfs/dbraw/zinc/35/51/85/1068355185.db2.gz BMNUZOAHMMAXGV-QFIPXVFZSA-N 1 1 486.617 0.078 20 0 JCADMO CN1CC[N@@H+](CCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)[C@H](c2ccccc2)C1 ZINC000502402186 1068355167 /nfs/dbraw/zinc/35/51/67/1068355167.db2.gz BMNUZOAHMMAXGV-QFIPXVFZSA-N 1 1 486.617 0.078 20 0 JCADMO C[N@H+]1CCN(CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000502404526 1068354132 /nfs/dbraw/zinc/35/41/32/1068354132.db2.gz QBESOMHEAWCWEU-NRFANRHFSA-N 1 1 456.591 0.498 20 0 JCADMO C[N@@H+]1CCN(CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000502404526 1068354125 /nfs/dbraw/zinc/35/41/25/1068354125.db2.gz QBESOMHEAWCWEU-NRFANRHFSA-N 1 1 456.591 0.498 20 0 JCADMO CN1CC[N@@H+](CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000502404526 1068354116 /nfs/dbraw/zinc/35/41/16/1068354116.db2.gz QBESOMHEAWCWEU-NRFANRHFSA-N 1 1 456.591 0.498 20 0 JCADMO C[N@H+]1CCN(CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000502404528 1068354400 /nfs/dbraw/zinc/35/44/00/1068354400.db2.gz QBESOMHEAWCWEU-OAQYLSRUSA-N 1 1 456.591 0.498 20 0 JCADMO C[N@@H+]1CCN(CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000502404528 1068354386 /nfs/dbraw/zinc/35/43/86/1068354386.db2.gz QBESOMHEAWCWEU-OAQYLSRUSA-N 1 1 456.591 0.498 20 0 JCADMO CN1CC[N@@H+](CCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000502404528 1068354372 /nfs/dbraw/zinc/35/43/72/1068354372.db2.gz QBESOMHEAWCWEU-OAQYLSRUSA-N 1 1 456.591 0.498 20 0 JCADMO C[N@H+]1CCN(CCCNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](c2ccccc2)C1 ZINC000502404717 1068354037 /nfs/dbraw/zinc/35/40/37/1068354037.db2.gz HDGGLAVUBZHGOD-PMACEKPBSA-N 1 1 465.620 0.358 20 0 JCADMO C[N@@H+]1CCN(CCCNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](c2ccccc2)C1 ZINC000502404717 1068354027 /nfs/dbraw/zinc/35/40/27/1068354027.db2.gz HDGGLAVUBZHGOD-PMACEKPBSA-N 1 1 465.620 0.358 20 0 JCADMO CN1CC[N@@H+](CCCNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](c2ccccc2)C1 ZINC000502404717 1068354017 /nfs/dbraw/zinc/35/40/17/1068354017.db2.gz 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COCC[N@@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000512524567 1068128505 /nfs/dbraw/zinc/12/85/05/1068128505.db2.gz UTZKVPCWXHCYRR-UHFFFAOYSA-N 1 1 484.619 0.242 20 0 JCADMO Cc1c(NC(=O)CSCC(=O)NCCC[NH+]2CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000512569295 1068144044 /nfs/dbraw/zinc/14/40/44/1068144044.db2.gz LCEKWEONUNVROW-UHFFFAOYSA-N 1 1 461.588 0.995 20 0 JCADMO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCC[NH+]1CCOCC1 ZINC000512578152 1068147034 /nfs/dbraw/zinc/14/70/34/1068147034.db2.gz PAXPNMKFXWWBKR-FQEVSTJZSA-N 1 1 455.577 0.989 20 0 JCADMO CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCC[NH+]1CCOCC1 ZINC000512578154 1068147224 /nfs/dbraw/zinc/14/72/24/1068147224.db2.gz PAXPNMKFXWWBKR-HXUWFJFHSA-N 1 1 455.577 0.989 20 0 JCADMO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCCC[NH+]1CCOCC1 ZINC000512591162 1068149032 /nfs/dbraw/zinc/14/90/32/1068149032.db2.gz DNOAGLVJCQHNAH-UHFFFAOYSA-N 1 1 452.577 0.138 20 0 JCADMO CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000512593887 1068149260 /nfs/dbraw/zinc/14/92/60/1068149260.db2.gz YJUSKTBQFKASDV-NRFANRHFSA-N 1 1 496.630 0.300 20 0 JCADMO CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000512593888 1068149144 /nfs/dbraw/zinc/14/91/44/1068149144.db2.gz YJUSKTBQFKASDV-OAQYLSRUSA-N 1 1 496.630 0.300 20 0 JCADMO O=C(NCCC[NH+]1CCOCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000512625896 1068154035 /nfs/dbraw/zinc/15/40/35/1068154035.db2.gz SNPUSCYVYNHJAW-UHFFFAOYSA-N 1 1 464.544 0.413 20 0 JCADMO Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cn1C ZINC000512630093 1068156681 /nfs/dbraw/zinc/15/66/81/1068156681.db2.gz OFBNQIRJWUULJH-UHFFFAOYSA-N 1 1 460.560 0.932 20 0 JCADMO CN(C)CC[NH+]1CCC(NC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC000512758971 1068165291 /nfs/dbraw/zinc/16/52/91/1068165291.db2.gz PCXGCHSUCMHGMU-UHFFFAOYSA-N 1 1 452.625 0.770 20 0 JCADMO CCN1CC[NH+](CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 ZINC000512922277 1068181213 /nfs/dbraw/zinc/18/12/13/1068181213.db2.gz HWODVXCZKIDYQO-UHFFFAOYSA-N 1 1 465.620 0.297 20 0 JCADMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000512979394 1068183847 /nfs/dbraw/zinc/18/38/47/1068183847.db2.gz CCFKMFVJSXLOQX-UHFFFAOYSA-N 1 1 490.582 0.903 20 0 JCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)cc2)CC1 ZINC000512979593 1068183895 /nfs/dbraw/zinc/18/38/95/1068183895.db2.gz DBTLMMDFOFUFAF-UHFFFAOYSA-N 1 1 498.628 0.560 20 0 JCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000512981208 1068183936 /nfs/dbraw/zinc/18/39/36/1068183936.db2.gz NDGHBLKEJOZBHH-UHFFFAOYSA-N 1 1 468.624 0.534 20 0 JCADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)C1 ZINC000512982197 1068183814 /nfs/dbraw/zinc/18/38/14/1068183814.db2.gz WVPAIKVGADLTRX-GOSISDBHSA-N 1 1 465.620 0.799 20 0 JCADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)C1 ZINC000512982199 1068183955 /nfs/dbraw/zinc/18/39/55/1068183955.db2.gz WVPAIKVGADLTRX-SFHVURJKSA-N 1 1 465.620 0.799 20 0 JCADMO Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(OCC(=O)N(C)C)c1 ZINC000512982378 1068183906 /nfs/dbraw/zinc/18/39/06/1068183906.db2.gz XNTPZTJBHUKVGH-UHFFFAOYSA-N 1 1 473.574 0.413 20 0 JCADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)NC[C@H](C)CO)c1 ZINC000512984972 1068183875 /nfs/dbraw/zinc/18/38/75/1068183875.db2.gz ABZTVMLEGZYADO-INIZCTEOSA-N 1 1 469.608 0.152 20 0 JCADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(=O)NC[C@@H](C)CO)c1 ZINC000512984975 1068184502 /nfs/dbraw/zinc/18/45/02/1068184502.db2.gz ABZTVMLEGZYADO-MRXNPFEDSA-N 1 1 469.608 0.152 20 0 JCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3cccnc3N3CCOCC3)cc2)CC1 ZINC000512987677 1068184726 /nfs/dbraw/zinc/18/47/26/1068184726.db2.gz RHAWEZSRFAFTHN-UHFFFAOYSA-N 1 1 466.542 0.561 20 0 JCADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000512988101 1068184567 /nfs/dbraw/zinc/18/45/67/1068184567.db2.gz UHJFKJFRHRBSOL-MSOLQXFVSA-N 1 1 465.620 0.798 20 0 JCADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000512988102 1068184405 /nfs/dbraw/zinc/18/44/05/1068184405.db2.gz UHJFKJFRHRBSOL-QZTJIDSGSA-N 1 1 465.620 0.798 20 0 JCADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000512988103 1068184599 /nfs/dbraw/zinc/18/45/99/1068184599.db2.gz UHJFKJFRHRBSOL-ROUUACIJSA-N 1 1 465.620 0.798 20 0 JCADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000512988104 1068184546 /nfs/dbraw/zinc/18/45/46/1068184546.db2.gz UHJFKJFRHRBSOL-ZWKOTPCHSA-N 1 1 465.620 0.798 20 0 JCADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)C1 ZINC000512996200 1068185300 /nfs/dbraw/zinc/18/53/00/1068185300.db2.gz CGJBDLNSYOTVLZ-KRWDZBQOSA-N 1 1 452.577 0.803 20 0 JCADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)C1 ZINC000512996201 1068185191 /nfs/dbraw/zinc/18/51/91/1068185191.db2.gz CGJBDLNSYOTVLZ-QGZVFWFLSA-N 1 1 452.577 0.803 20 0 JCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC000512998245 1068186143 /nfs/dbraw/zinc/18/61/43/1068186143.db2.gz JTYZIKAQLJGXBC-UHFFFAOYSA-N 1 1 494.662 0.095 20 0 JCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000512999842 1068186250 /nfs/dbraw/zinc/18/62/50/1068186250.db2.gz QYKUAWPQACUYEJ-MSOLQXFVSA-N 1 1 465.620 0.798 20 0 JCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000512999843 1068186223 /nfs/dbraw/zinc/18/62/23/1068186223.db2.gz QYKUAWPQACUYEJ-QZTJIDSGSA-N 1 1 465.620 0.798 20 0 JCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000512999844 1068186203 /nfs/dbraw/zinc/18/62/03/1068186203.db2.gz QYKUAWPQACUYEJ-ROUUACIJSA-N 1 1 465.620 0.798 20 0 JCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000512999845 1068186049 /nfs/dbraw/zinc/18/60/49/1068186049.db2.gz QYKUAWPQACUYEJ-ZWKOTPCHSA-N 1 1 465.620 0.798 20 0 JCADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000513000719 1068186032 /nfs/dbraw/zinc/18/60/32/1068186032.db2.gz WDZXEQNOYCNEBA-GOSISDBHSA-N 1 1 465.620 0.942 20 0 JCADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000513000720 1068186158 /nfs/dbraw/zinc/18/61/58/1068186158.db2.gz WDZXEQNOYCNEBA-SFHVURJKSA-N 1 1 465.620 0.942 20 0 JCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000513000739 1068186242 /nfs/dbraw/zinc/18/62/42/1068186242.db2.gz WJCSILSZTWXNNI-UHFFFAOYSA-N 1 1 451.527 0.835 20 0 JCADMO Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000513010425 1068188002 /nfs/dbraw/zinc/18/80/02/1068188002.db2.gz GXOARWFGQZLYCA-NRFANRHFSA-N 1 1 468.554 0.806 20 0 JCADMO Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000513010426 1068188070 /nfs/dbraw/zinc/18/80/70/1068188070.db2.gz GXOARWFGQZLYCA-OAQYLSRUSA-N 1 1 468.554 0.806 20 0 JCADMO Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000513010603 1068187597 /nfs/dbraw/zinc/18/75/97/1068187597.db2.gz IWGGTZGNCXPCAA-FQEVSTJZSA-N 1 1 454.527 0.877 20 0 JCADMO Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000513010604 1068187466 /nfs/dbraw/zinc/18/74/66/1068187466.db2.gz IWGGTZGNCXPCAA-HXUWFJFHSA-N 1 1 454.527 0.877 20 0 JCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)nc3)cc2)CC1 ZINC000513024353 1068189945 /nfs/dbraw/zinc/18/99/45/1068189945.db2.gz RMLBRFANMZZPII-UHFFFAOYSA-N 1 1 466.542 0.561 20 0 JCADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000513024471 1068189193 /nfs/dbraw/zinc/18/91/93/1068189193.db2.gz SSHGQNVTGQYRBY-GOSISDBHSA-N 1 1 472.590 0.072 20 0 JCADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000513024472 1068190128 /nfs/dbraw/zinc/19/01/28/1068190128.db2.gz SSHGQNVTGQYRBY-SFHVURJKSA-N 1 1 472.590 0.072 20 0 JCADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1Cc3ccccc3C[C@H]1C(=O)N1CCCC1)c(=O)n2C ZINC000513064386 1068191725 /nfs/dbraw/zinc/19/17/25/1068191725.db2.gz LYIKDKSZRSVIIR-IBGZPJMESA-N 1 1 450.543 0.873 20 0 JCADMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1Cc3ccccc3C[C@H]1C(=O)N1CCCC1)c(=O)n2C ZINC000513064386 1068191718 /nfs/dbraw/zinc/19/17/18/1068191718.db2.gz LYIKDKSZRSVIIR-IBGZPJMESA-N 1 1 450.543 0.873 20 0 JCADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1Cc3ccccc3C[C@@H]1C(=O)N1CCCC1)c(=O)n2C ZINC000513064389 1068191941 /nfs/dbraw/zinc/19/19/41/1068191941.db2.gz LYIKDKSZRSVIIR-LJQANCHMSA-N 1 1 450.543 0.873 20 0 JCADMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1Cc3ccccc3C[C@@H]1C(=O)N1CCCC1)c(=O)n2C ZINC000513064389 1068191938 /nfs/dbraw/zinc/19/19/38/1068191938.db2.gz LYIKDKSZRSVIIR-LJQANCHMSA-N 1 1 450.543 0.873 20 0 JCADMO 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COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000519344793 1069336877 /nfs/dbraw/zinc/33/68/77/1069336877.db2.gz AAJUMBOORUKFIN-UHFFFAOYSA-N 1 1 496.568 0.569 20 0 JCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000519344797 1069336594 /nfs/dbraw/zinc/33/65/94/1069336594.db2.gz AIODJEXXJBYIIL-UHFFFAOYSA-N 1 1 477.525 0.918 20 0 JCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCCOC[C@H]1CCCO1 ZINC000519344893 1069337357 /nfs/dbraw/zinc/33/73/57/1069337357.db2.gz GHYRJVAARCLGOQ-GOSISDBHSA-N 1 1 462.547 0.723 20 0 JCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000519344894 1069337322 /nfs/dbraw/zinc/33/73/22/1069337322.db2.gz GHYRJVAARCLGOQ-SFHVURJKSA-N 1 1 462.547 0.723 20 0 JCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000519344895 1069337443 /nfs/dbraw/zinc/33/74/43/1069337443.db2.gz GKNQDPHJXGWPHD-UHFFFAOYSA-N 1 1 483.573 0.698 20 0 JCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCc1nnc2ccccn21 ZINC000519347233 1069337471 /nfs/dbraw/zinc/33/74/71/1069337471.db2.gz VKWYXEUDBUWOQN-UHFFFAOYSA-N 1 1 451.487 0.380 20 0 JCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000519355038 1069339511 /nfs/dbraw/zinc/33/95/11/1069339511.db2.gz HBIIDOCXYKJOAL-UHFFFAOYSA-N 1 1 458.607 0.704 20 0 JCADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000519364712 1069340591 /nfs/dbraw/zinc/34/05/91/1069340591.db2.gz AYMPRTDURLIUIC-AWEZNQCLSA-N 1 1 468.484 0.816 20 0 JCADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000519364713 1069340515 /nfs/dbraw/zinc/34/05/15/1069340515.db2.gz AYMPRTDURLIUIC-CQSZACIVSA-N 1 1 468.484 0.816 20 0 JCADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000519365043 1069340642 /nfs/dbraw/zinc/34/06/42/1069340642.db2.gz ONPOFVVTUOALNY-HNNXBMFYSA-N 1 1 461.382 0.574 20 0 JCADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000519365044 1069340735 /nfs/dbraw/zinc/34/07/35/1069340735.db2.gz ONPOFVVTUOALNY-OAHLLOKOSA-N 1 1 461.382 0.574 20 0 JCADMO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000519368510 1069339371 /nfs/dbraw/zinc/33/93/71/1069339371.db2.gz SNSSAABYRMUGLZ-INIZCTEOSA-N 1 1 499.590 0.039 20 0 JCADMO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000519368511 1069339422 /nfs/dbraw/zinc/33/94/22/1069339422.db2.gz SNSSAABYRMUGLZ-MRXNPFEDSA-N 1 1 499.590 0.039 20 0 JCADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000519372707 1069339699 /nfs/dbraw/zinc/33/96/99/1069339699.db2.gz DRGBCMYFMSVTAY-GOSISDBHSA-N 1 1 455.556 0.618 20 0 JCADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000519372768 1069339316 /nfs/dbraw/zinc/33/93/16/1069339316.db2.gz DRGBCMYFMSVTAY-SFHVURJKSA-N 1 1 455.556 0.618 20 0 JCADMO CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000519381160 1069340704 /nfs/dbraw/zinc/34/07/04/1069340704.db2.gz OQYDIFMHCCVUJB-UHFFFAOYSA-N 1 1 494.618 0.215 20 0 JCADMO CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000519381160 1069340692 /nfs/dbraw/zinc/34/06/92/1069340692.db2.gz OQYDIFMHCCVUJB-UHFFFAOYSA-N 1 1 494.618 0.215 20 0 JCADMO CN(C[C@@H]1CCCOC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000519389464 1069341369 /nfs/dbraw/zinc/34/13/69/1069341369.db2.gz DZILGFVJBRNLDF-KRWDZBQOSA-N 1 1 452.577 0.836 20 0 JCADMO CN(C[C@@H]1CCCOC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000519389464 1069341352 /nfs/dbraw/zinc/34/13/52/1069341352.db2.gz DZILGFVJBRNLDF-KRWDZBQOSA-N 1 1 452.577 0.836 20 0 JCADMO CN(C[C@H]1CCCOC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000519389465 1069341129 /nfs/dbraw/zinc/34/11/29/1069341129.db2.gz DZILGFVJBRNLDF-QGZVFWFLSA-N 1 1 452.577 0.836 20 0 JCADMO CN(C[C@H]1CCCOC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000519389465 1069341112 /nfs/dbraw/zinc/34/11/12/1069341112.db2.gz DZILGFVJBRNLDF-QGZVFWFLSA-N 1 1 452.577 0.836 20 0 JCADMO CC[N@H+]1CC[C@H](CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000519408320 1069342483 /nfs/dbraw/zinc/34/24/83/1069342483.db2.gz NHVOXCDMGHPVFZ-PBHICJAKSA-N 1 1 466.025 0.880 20 0 JCADMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000519408321 1069342186 /nfs/dbraw/zinc/34/21/86/1069342186.db2.gz NHVOXCDMGHPVFZ-RHSMWYFYSA-N 1 1 466.025 0.880 20 0 JCADMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000519408322 1069342339 /nfs/dbraw/zinc/34/23/39/1069342339.db2.gz NHVOXCDMGHPVFZ-WMLDXEAASA-N 1 1 466.025 0.880 20 0 JCADMO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000519408323 1069342433 /nfs/dbraw/zinc/34/24/33/1069342433.db2.gz NHVOXCDMGHPVFZ-YOEHRIQHSA-N 1 1 466.025 0.880 20 0 JCADMO Cn1c2ncc(C(=O)NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c(=O)n(C)c1=O ZINC000519418398 1069343537 /nfs/dbraw/zinc/34/35/37/1069343537.db2.gz UADDZUNWQJQQOJ-KRWDZBQOSA-N 1 1 464.526 0.260 20 0 JCADMO Cn1c2ncc(C(=O)NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c(=O)n(C)c1=O ZINC000519418399 1069342092 /nfs/dbraw/zinc/34/20/92/1069342092.db2.gz UADDZUNWQJQQOJ-QGZVFWFLSA-N 1 1 464.526 0.260 20 0 JCADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cc3ccc(S(N)(=O)=O)s3)c2)C1 ZINC000519427639 1069342712 /nfs/dbraw/zinc/34/27/12/1069342712.db2.gz RBKKLPFXEKJKFO-INIZCTEOSA-N 1 1 450.586 0.952 20 0 JCADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cc3ccc(S(N)(=O)=O)s3)c2)C1 ZINC000519427673 1069343142 /nfs/dbraw/zinc/34/31/42/1069343142.db2.gz RBKKLPFXEKJKFO-MRXNPFEDSA-N 1 1 450.586 0.952 20 0 JCADMO CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000519431915 1069344665 /nfs/dbraw/zinc/34/46/65/1069344665.db2.gz WKVRIOYRSGSQCD-GOSISDBHSA-N 1 1 480.612 0.771 20 0 JCADMO CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000519431916 1069344993 /nfs/dbraw/zinc/34/49/93/1069344993.db2.gz WKVRIOYRSGSQCD-SFHVURJKSA-N 1 1 480.612 0.771 20 0 JCADMO Cc1nc(COc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cc2)no1 ZINC000519436386 1069344788 /nfs/dbraw/zinc/34/47/88/1069344788.db2.gz MCRGLGMCZQOHDI-GOSISDBHSA-N 1 1 458.519 0.954 20 0 JCADMO Cc1nc(COc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cc2)no1 ZINC000519436387 1069344836 /nfs/dbraw/zinc/34/48/36/1069344836.db2.gz MCRGLGMCZQOHDI-SFHVURJKSA-N 1 1 458.519 0.954 20 0 JCADMO CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC000519438251 1069343682 /nfs/dbraw/zinc/34/36/82/1069343682.db2.gz AOUGSHNCWZVHQL-UHFFFAOYSA-N 1 1 456.503 0.268 20 0 JCADMO Cc1c(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cccc1-n1cnnn1 ZINC000519438262 1069343453 /nfs/dbraw/zinc/34/34/53/1069343453.db2.gz BCLKISWIWJSTOE-IBGZPJMESA-N 1 1 476.541 0.923 20 0 JCADMO Cc1c(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cccc1-n1cnnn1 ZINC000519438263 1069343737 /nfs/dbraw/zinc/34/37/37/1069343737.db2.gz BCLKISWIWJSTOE-LJQANCHMSA-N 1 1 476.541 0.923 20 0 JCADMO NC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1F ZINC000519438547 1069343516 /nfs/dbraw/zinc/34/35/16/1069343516.db2.gz OVUXTNYARSEKKV-INIZCTEOSA-N 1 1 455.490 0.877 20 0 JCADMO NC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1F ZINC000519438548 1069343564 /nfs/dbraw/zinc/34/35/64/1069343564.db2.gz OVUXTNYARSEKKV-MRXNPFEDSA-N 1 1 455.490 0.877 20 0 JCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 ZINC000519439314 1069343391 /nfs/dbraw/zinc/34/33/91/1069343391.db2.gz IJJAWVNTCCLNEG-UHFFFAOYSA-N 1 1 464.324 0.295 20 0 JCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cn1 ZINC000519442352 1069344246 /nfs/dbraw/zinc/34/42/46/1069344246.db2.gz HJKJVLGBZMFAPL-KRWDZBQOSA-N 1 1 473.555 0.437 20 0 JCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cn1 ZINC000519442353 1069344140 /nfs/dbraw/zinc/34/41/40/1069344140.db2.gz HJKJVLGBZMFAPL-QGZVFWFLSA-N 1 1 473.555 0.437 20 0 JCADMO Cn1c2ncc(NC(=O)NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2c(=O)n(C)c1=O ZINC000519447891 1069346483 /nfs/dbraw/zinc/34/64/83/1069346483.db2.gz MICCZXARJBKWDF-KRWDZBQOSA-N 1 1 479.541 0.651 20 0 JCADMO Cn1c2ncc(NC(=O)NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)cc2c(=O)n(C)c1=O ZINC000519447892 1069346884 /nfs/dbraw/zinc/34/68/84/1069346884.db2.gz MICCZXARJBKWDF-QGZVFWFLSA-N 1 1 479.541 0.651 20 0 JCADMO C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C(=O)NCc1ccco1 ZINC000519459309 1069346049 /nfs/dbraw/zinc/34/60/49/1069346049.db2.gz RGFLDOGPXZXFEJ-INIZCTEOSA-N 1 1 455.515 0.356 20 0 JCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C(=O)NCc1ccco1 ZINC000519459310 1069346006 /nfs/dbraw/zinc/34/60/06/1069346006.db2.gz RGFLDOGPXZXFEJ-MRXNPFEDSA-N 1 1 455.515 0.356 20 0 JCADMO 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0.486 20 0 JCADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000524482022 1069858617 /nfs/dbraw/zinc/85/86/17/1069858617.db2.gz YZRMSPQEAKZQKB-ROUUACIJSA-N 1 1 468.624 0.486 20 0 JCADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000524482023 1069858872 /nfs/dbraw/zinc/85/88/72/1069858872.db2.gz YZRMSPQEAKZQKB-ZWKOTPCHSA-N 1 1 468.624 0.486 20 0 JCADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000524486408 1069857891 /nfs/dbraw/zinc/85/78/91/1069857891.db2.gz TZZWDGIOLXMMAN-IBGZPJMESA-N 1 1 490.634 0.546 20 0 JCADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000524486409 1069857983 /nfs/dbraw/zinc/85/79/83/1069857983.db2.gz TZZWDGIOLXMMAN-LJQANCHMSA-N 1 1 490.634 0.546 20 0 JCADMO Cn1c(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000524504609 1069860681 /nfs/dbraw/zinc/86/06/81/1069860681.db2.gz HYWRULNTLLSONZ-UHFFFAOYSA-N 1 1 488.570 0.154 20 0 JCADMO Cn1c(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000524504609 1069860657 /nfs/dbraw/zinc/86/06/57/1069860657.db2.gz HYWRULNTLLSONZ-UHFFFAOYSA-N 1 1 488.570 0.154 20 0 JCADMO Cn1c(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@@H+](C)CC4)c3)nc2n(C)c1=O ZINC000524504907 1069860581 /nfs/dbraw/zinc/86/05/81/1069860581.db2.gz RCHJOIXXCVZWSP-UHFFFAOYSA-N 1 1 486.554 0.211 20 0 JCADMO Cn1c(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@H+](C)CC4)c3)nc2n(C)c1=O ZINC000524504907 1069860559 /nfs/dbraw/zinc/86/05/59/1069860559.db2.gz RCHJOIXXCVZWSP-UHFFFAOYSA-N 1 1 486.554 0.211 20 0 JCADMO Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@@H+](C)CC4)c3)cnc21 ZINC000524508332 1069860915 /nfs/dbraw/zinc/86/09/15/1069860915.db2.gz VBYOVDUEUMQXNB-UHFFFAOYSA-N 1 1 472.527 0.613 20 0 JCADMO Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@H+](C)CC4)c3)cnc21 ZINC000524508332 1069860898 /nfs/dbraw/zinc/86/08/98/1069860898.db2.gz VBYOVDUEUMQXNB-UHFFFAOYSA-N 1 1 472.527 0.613 20 0 JCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC000524526037 1069860848 /nfs/dbraw/zinc/86/08/48/1069860848.db2.gz IGNOEGTTXDDFEP-KRWDZBQOSA-N 1 1 468.624 0.534 20 0 JCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC000524526038 1069860496 /nfs/dbraw/zinc/86/04/96/1069860496.db2.gz IGNOEGTTXDDFEP-QGZVFWFLSA-N 1 1 468.624 0.534 20 0 JCADMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccc(S(=O)(=O)NC)c3)CC2)CC1 ZINC000524575669 1069864338 /nfs/dbraw/zinc/86/43/38/1069864338.db2.gz XZSYREWTUFRFET-UHFFFAOYSA-N 1 1 472.633 0.550 20 0 JCADMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)CC1 ZINC000524575717 1069864829 /nfs/dbraw/zinc/86/48/29/1069864829.db2.gz ZNWZVGZZGRDBLQ-UHFFFAOYSA-N 1 1 462.572 0.867 20 0 JCADMO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1 ZINC000524576168 1069864672 /nfs/dbraw/zinc/86/46/72/1069864672.db2.gz DHMQKQWTTIFAIJ-IBGZPJMESA-N 1 1 458.625 0.773 20 0 JCADMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1 ZINC000524576170 1069864633 /nfs/dbraw/zinc/86/46/33/1069864633.db2.gz DHMQKQWTTIFAIJ-LJQANCHMSA-N 1 1 458.625 0.773 20 0 JCADMO CC1(C)C[N@H+](C2(CNC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CCCCC2)CCO1 ZINC000524580203 1069864977 /nfs/dbraw/zinc/86/49/77/1069864977.db2.gz KOMCQDSOKWNKSS-UHFFFAOYSA-N 1 1 465.639 0.986 20 0 JCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3ccc(OC)c(OCC(N)=O)c3)CC2)CC1 ZINC000524581547 1069864461 /nfs/dbraw/zinc/86/44/61/1069864461.db2.gz TWAKXFOQCPDRSV-UHFFFAOYSA-N 1 1 489.573 0.291 20 0 JCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c2)CCO1 ZINC000524597031 1069867348 /nfs/dbraw/zinc/86/73/48/1069867348.db2.gz HAGMBEXTOZFIQB-GOSISDBHSA-N 1 1 471.558 0.410 20 0 JCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c2)CCO1 ZINC000524597031 1069867335 /nfs/dbraw/zinc/86/73/35/1069867335.db2.gz HAGMBEXTOZFIQB-GOSISDBHSA-N 1 1 471.558 0.410 20 0 JCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c2)CCO1 ZINC000524597032 1069867483 /nfs/dbraw/zinc/86/74/83/1069867483.db2.gz HAGMBEXTOZFIQB-SFHVURJKSA-N 1 1 471.558 0.410 20 0 JCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c2)CCO1 ZINC000524597032 1069867469 /nfs/dbraw/zinc/86/74/69/1069867469.db2.gz HAGMBEXTOZFIQB-SFHVURJKSA-N 1 1 471.558 0.410 20 0 JCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000524598014 1069867140 /nfs/dbraw/zinc/86/71/40/1069867140.db2.gz COHVCBFIOMIXRR-UHFFFAOYSA-N 1 1 473.665 0.936 20 0 JCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000524598014 1069867120 /nfs/dbraw/zinc/86/71/20/1069867120.db2.gz COHVCBFIOMIXRR-UHFFFAOYSA-N 1 1 473.665 0.936 20 0 JCADMO CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000524607537 1069866171 /nfs/dbraw/zinc/86/61/71/1069866171.db2.gz HLCPEFFGHHNQGM-FQEVSTJZSA-N 1 1 465.620 0.997 20 0 JCADMO 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COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001144285754 1070421235 /nfs/dbraw/zinc/42/12/35/1070421235.db2.gz UAFZJGJYDINTDH-UHFFFAOYSA-N 1 1 458.559 0.931 20 0 JCADMO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001144285754 1070421226 /nfs/dbraw/zinc/42/12/26/1070421226.db2.gz UAFZJGJYDINTDH-UHFFFAOYSA-N 1 1 458.559 0.931 20 0 JCADMO C[NH+]1CCN(C(=O)CCNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC001144293913 1070422092 /nfs/dbraw/zinc/42/20/92/1070422092.db2.gz PJZBBWUFOZIYFM-UHFFFAOYSA-N 1 1 451.593 0.699 20 0 JCADMO C[NH+]1CCN(C(=O)CCNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 ZINC001144294197 1070421830 /nfs/dbraw/zinc/42/18/30/1070421830.db2.gz RMYTUFUFDWSKQY-UHFFFAOYSA-N 1 1 458.531 0.646 20 0 JCADMO C[NH+]1CCN(C(=O)CCNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 ZINC001144294240 1070422120 /nfs/dbraw/zinc/42/21/20/1070422120.db2.gz RYLNKRNZWMIWPI-UHFFFAOYSA-N 1 1 458.606 0.035 20 0 JCADMO CCOC(=O)c1[nH]ccc1C[NH+]1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001144330676 1070423836 /nfs/dbraw/zinc/42/38/36/1070423836.db2.gz LKZSEBWJGPDIMX-NRFANRHFSA-N 1 1 452.577 0.897 20 0 JCADMO CCOC(=O)c1[nH]ccc1C[NH+]1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001144330677 1070423582 /nfs/dbraw/zinc/42/35/82/1070423582.db2.gz LKZSEBWJGPDIMX-OAQYLSRUSA-N 1 1 452.577 0.897 20 0 JCADMO CCOC(=O)c1[nH]ccc1C[N@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001144331233 1070423730 /nfs/dbraw/zinc/42/37/30/1070423730.db2.gz YGVMNHZLTNFALF-GCJKJVERSA-N 1 1 482.603 0.666 20 0 JCADMO CCOC(=O)c1[nH]ccc1C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001144331233 1070423723 /nfs/dbraw/zinc/42/37/23/1070423723.db2.gz YGVMNHZLTNFALF-GCJKJVERSA-N 1 1 482.603 0.666 20 0 JCADMO CC(C)(C)OC(=O)N1CCC(CN(CCC[NH+]2CCOCC2)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001144331915 1070423915 /nfs/dbraw/zinc/42/39/15/1070423915.db2.gz SKECJMPMYAAQPC-SFHVURJKSA-N 1 1 481.594 0.783 20 0 JCADMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)[C@@H]4CC(=O)NC(=O)N4)CC3)c3ccccc32)CC1 ZINC001144333145 1070423677 /nfs/dbraw/zinc/42/36/77/1070423677.db2.gz OZLGKNCWQHXEDE-PXNSSMCTSA-N 1 1 467.570 0.796 20 0 JCADMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)[C@@H]4CC(=O)NC(=O)N4)CC3)c3ccccc32)CC1 ZINC001144333146 1070423656 /nfs/dbraw/zinc/42/36/56/1070423656.db2.gz OZLGKNCWQHXEDE-XLIONFOSSA-N 1 1 467.570 0.796 20 0 JCADMO COc1cc(N(C(=O)[C@@H]2CC(=O)NC(=O)N2)S(C)(=O)=O)c(Oc2ccccc2)cc1C(=O)C[NH3+] ZINC001144335936 1070424680 /nfs/dbraw/zinc/42/46/80/1070424680.db2.gz CBKKWPGHOHVPJK-AWEZNQCLSA-N 1 1 490.494 0.520 20 0 JCADMO COc1cccc(C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)n2nnnc2C)c1 ZINC001144349468 1070425700 /nfs/dbraw/zinc/42/57/00/1070425700.db2.gz AHLFGNUKMOUOEI-FQEVSTJZSA-N 1 1 456.551 0.286 20 0 JCADMO COc1cccc(C[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)n2nnnc2C)c1 ZINC001144349469 1070425611 /nfs/dbraw/zinc/42/56/11/1070425611.db2.gz AHLFGNUKMOUOEI-HXUWFJFHSA-N 1 1 456.551 0.286 20 0 JCADMO COc1cccc(/C=C(\C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)n2nnnc2C)c1 ZINC001144349873 1070425476 /nfs/dbraw/zinc/42/54/76/1070425476.db2.gz HKCHGBMOQCUOKC-CAPFRKAQSA-N 1 1 454.535 0.500 20 0 JCADMO COc1cccc(/C=C(/C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)n2nnnc2C)c1 ZINC001144349874 1070425738 /nfs/dbraw/zinc/42/57/38/1070425738.db2.gz HKCHGBMOQCUOKC-SILNSSARSA-N 1 1 454.535 0.500 20 0 JCADMO CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)ccc1Cl ZINC001144349940 1070425628 /nfs/dbraw/zinc/42/56/28/1070425628.db2.gz JRIAURCGXDGLIP-UHFFFAOYSA-N 1 1 457.984 0.716 20 0 JCADMO CN(CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC001144350276 1070425676 /nfs/dbraw/zinc/42/56/76/1070425676.db2.gz PGHDURVRROTWFU-UHFFFAOYSA-N 1 1 457.984 0.472 20 0 JCADMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)n(C)c1 ZINC001144350320 1070425511 /nfs/dbraw/zinc/42/55/11/1070425511.db2.gz QWIUHDJAVCEFQM-UHFFFAOYSA-N 1 1 454.597 0.181 20 0 JCADMO CCN1CC[NH+](CCC(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC001144358455 1070426324 /nfs/dbraw/zinc/42/63/24/1070426324.db2.gz ASYACMMLUIONLM-UHFFFAOYSA-N 1 1 451.637 0.445 20 0 JCADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CNC(=O)c3ccc(Br)s3)CC2)CC1 ZINC001144359590 1070426226 /nfs/dbraw/zinc/42/62/26/1070426226.db2.gz STCGVKLPSFFECD-UHFFFAOYSA-N 1 1 458.382 0.752 20 0 JCADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@](C)(O)CN3c4ccccc4C(C)(C)C3=O)CC2)CC1 ZINC001144359798 1070426363 /nfs/dbraw/zinc/42/63/63/1070426363.db2.gz XRVZXBUPIUJGER-DEOSSOPVSA-N 1 1 457.575 0.573 20 0 JCADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@](C)(O)CN3c4ccccc4C(C)(C)C3=O)CC2)CC1 ZINC001144359799 1070426397 /nfs/dbraw/zinc/42/63/97/1070426397.db2.gz XRVZXBUPIUJGER-XMMPIXPASA-N 1 1 457.575 0.573 20 0 JCADMO CC[N@H+]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001144387907 1070428883 /nfs/dbraw/zinc/42/88/83/1070428883.db2.gz XFZWDVHNMJIWCC-UHFFFAOYSA-N 1 1 454.568 0.993 20 0 JCADMO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)CCC[NH+]2CCN(C(C)C)CC2)c1 ZINC001144418246 1070431357 /nfs/dbraw/zinc/43/13/57/1070431357.db2.gz WWKJUMZHEKVOOV-KRWDZBQOSA-N 1 1 453.609 0.844 20 0 JCADMO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CCC[NH+]2CCN(C(C)C)CC2)c1 ZINC001144418247 1070431569 /nfs/dbraw/zinc/43/15/69/1070431569.db2.gz WWKJUMZHEKVOOV-QGZVFWFLSA-N 1 1 453.609 0.844 20 0 JCADMO COc1ccc(C[N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)nc1 ZINC001144424165 1070431522 /nfs/dbraw/zinc/43/15/22/1070431522.db2.gz XEMRQZWJKWNOPS-CTNGQTDRSA-N 1 1 452.577 0.565 20 0 JCADMO COc1ncc(C[N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)cc1F ZINC001144458873 1070432215 /nfs/dbraw/zinc/43/22/15/1070432215.db2.gz QZJWSKYXJANZRV-NQIIRXRSSA-N 1 1 470.567 0.704 20 0 JCADMO COc1ncc(C[N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)cc1F ZINC001144458873 1070432213 /nfs/dbraw/zinc/43/22/13/1070432213.db2.gz QZJWSKYXJANZRV-NQIIRXRSSA-N 1 1 470.567 0.704 20 0 JCADMO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC001144481431 1070432454 /nfs/dbraw/zinc/43/24/54/1070432454.db2.gz FGRLRUYJFFAVGA-MOPGFXCFSA-N 1 1 452.577 0.929 20 0 JCADMO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC001144481432 1070432357 /nfs/dbraw/zinc/43/23/57/1070432357.db2.gz FGRLRUYJFFAVGA-OALUTQOASA-N 1 1 452.577 0.929 20 0 JCADMO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC001144481433 1070432409 /nfs/dbraw/zinc/43/24/09/1070432409.db2.gz FGRLRUYJFFAVGA-RBUKOAKNSA-N 1 1 452.577 0.929 20 0 JCADMO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC001144481434 1070432288 /nfs/dbraw/zinc/43/22/88/1070432288.db2.gz FGRLRUYJFFAVGA-RTBURBONSA-N 1 1 452.577 0.929 20 0 JCADMO CC1(C)[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001144482671 1070432253 /nfs/dbraw/zinc/43/22/53/1070432253.db2.gz MNSMAIIUKPDXIA-MSOLQXFVSA-N 1 1 450.561 0.036 20 0 JCADMO CC1(C)[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1[NH+]1CCOCC1 ZINC001144482672 1070432314 /nfs/dbraw/zinc/43/23/14/1070432314.db2.gz MNSMAIIUKPDXIA-QZTJIDSGSA-N 1 1 450.561 0.036 20 0 JCADMO CC1(C)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001144482674 1070432302 /nfs/dbraw/zinc/43/23/02/1070432302.db2.gz MNSMAIIUKPDXIA-ROUUACIJSA-N 1 1 450.561 0.036 20 0 JCADMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001144482677 1070432329 /nfs/dbraw/zinc/43/23/29/1070432329.db2.gz MNSMAIIUKPDXIA-ZWKOTPCHSA-N 1 1 450.561 0.036 20 0 JCADMO COCC[NH+](CCOC)C1CN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC001144528132 1070434067 /nfs/dbraw/zinc/43/40/67/1070434067.db2.gz QDBOPCZWCAURMZ-UHFFFAOYSA-N 1 1 458.581 0.498 20 0 JCADMO COCC[NH+](CCOC)C1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 ZINC001144528632 1070434055 /nfs/dbraw/zinc/43/40/55/1070434055.db2.gz XKLLQJXILZLZLW-UHFFFAOYSA-N 1 1 450.355 0.516 20 0 JCADMO 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O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC001151816458 1069333252 /nfs/dbraw/zinc/33/32/52/1069333252.db2.gz AOMFKZXGHPTGNL-HXUWFJFHSA-N 1 1 451.570 0.576 20 0 JCADMO CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001156286490 1069982847 /nfs/dbraw/zinc/98/28/47/1069982847.db2.gz CMLZPGAKQXUXCC-INIZCTEOSA-N 1 1 453.952 0.945 20 0 JCADMO CN(CC[N@@H+](C)C1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001161183890 1071312424 /nfs/dbraw/zinc/31/24/24/1071312424.db2.gz AZTSCOPLALTNPU-UHFFFAOYSA-N 1 1 458.606 0.287 20 0 JCADMO CC(C)(C)C(=O)Nc1ccnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1CN1CC[C@H](CO)C1 ZINC001164391602 718809527 /nfs/dbraw/zinc/80/95/27/718809527.db2.gz WFFYURDBALMBEA-KRWDZBQOSA-N 1 1 458.607 0.939 20 0 JCADMO CC(C)(C)C(=O)Nc1ccnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1CN1CC[C@@H](CO)C1 ZINC001164391603 718809645 /nfs/dbraw/zinc/80/96/45/718809645.db2.gz WFFYURDBALMBEA-QGZVFWFLSA-N 1 1 458.607 0.939 20 0 JCADMO 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ZINC001164666040 719426868 /nfs/dbraw/zinc/42/68/68/719426868.db2.gz APMMILBCLPXNTR-MSOLQXFVSA-N 1 1 457.512 0.974 20 0 JCADMO COC(=O)c1cc2c(ncnc2N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164666041 719426148 /nfs/dbraw/zinc/42/61/48/719426148.db2.gz APMMILBCLPXNTR-QZTJIDSGSA-N 1 1 457.512 0.974 20 0 JCADMO COC(=O)c1cc2c(ncnc2N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164666042 719425841 /nfs/dbraw/zinc/42/58/41/719425841.db2.gz APMMILBCLPXNTR-ROUUACIJSA-N 1 1 457.512 0.974 20 0 JCADMO COC(=O)c1cc2c(ncnc2N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164666043 719426565 /nfs/dbraw/zinc/42/65/65/719426565.db2.gz APMMILBCLPXNTR-ZWKOTPCHSA-N 1 1 457.512 0.974 20 0 JCADMO CN1CCN(Cc2cc3nc(N4C[C@@H]5OCC[N@@H+](C)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666076 719426348 /nfs/dbraw/zinc/42/63/48/719426348.db2.gz BBVWPTLMCCUOSW-PMACEKPBSA-N 1 1 473.647 0.795 20 0 JCADMO CN1CCN(Cc2cc3nc(N4C[C@@H]5[C@H](C4)OCC[N@H+]5C)nc(N4CCOCC4)c3s2)CC1 ZINC001164666077 719425975 /nfs/dbraw/zinc/42/59/75/719425975.db2.gz BBVWPTLMCCUOSW-UXHICEINSA-N 1 1 473.647 0.795 20 0 JCADMO CN1CCN(Cc2cc3nc(N4C[C@H]5OCC[N@@H+](C)[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666078 719426891 /nfs/dbraw/zinc/42/68/91/719426891.db2.gz BBVWPTLMCCUOSW-VQTJNVASSA-N 1 1 473.647 0.795 20 0 JCADMO CN1CCN(Cc2cc3nc(N4C[C@H]5OCC[N@@H+](C)[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164666079 719426156 /nfs/dbraw/zinc/42/61/56/719426156.db2.gz BBVWPTLMCCUOSW-WOJBJXKFSA-N 1 1 473.647 0.795 20 0 JCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001164684177 719705209 /nfs/dbraw/zinc/70/52/09/719705209.db2.gz NNQWLGUKMNPVIO-UHFFFAOYSA-N 1 1 459.595 0.331 20 0 JCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)N1CCOCC1)CC2 ZINC001164690025 719745694 /nfs/dbraw/zinc/74/56/94/719745694.db2.gz POWAVUOGQUWUCO-UHFFFAOYSA-N 1 1 495.602 0.070 20 0 JCADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4C[C@@H](C(=O)NCCc5ccccn5)O[C@H]4C3)n2)CC1 ZINC001164704154 719819993 /nfs/dbraw/zinc/81/99/93/719819993.db2.gz XWCDXLNKVZMCGV-GIVPXCGWSA-N 1 1 451.575 0.966 20 0 JCADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4C[C@@H](C(=O)NCCc5ccccn5)O[C@@H]4C3)n2)CC1 ZINC001164704156 719820302 /nfs/dbraw/zinc/82/03/02/719820302.db2.gz XWCDXLNKVZMCGV-HLAWJBBLSA-N 1 1 451.575 0.966 20 0 JCADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4C[C@H](C(=O)NCCc5ccccn5)O[C@@H]4C3)n2)CC1 ZINC001164704158 719820191 /nfs/dbraw/zinc/82/01/91/719820191.db2.gz XWCDXLNKVZMCGV-HMXCVIKNSA-N 1 1 451.575 0.966 20 0 JCADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4C[C@H](C(=O)NCCc5ccccn5)O[C@H]4C3)n2)CC1 ZINC001164704160 719820177 /nfs/dbraw/zinc/82/01/77/719820177.db2.gz XWCDXLNKVZMCGV-NRSPTQNISA-N 1 1 451.575 0.966 20 0 JCADMO CCc1cc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc(N2CCOCC2)[nH+]1 ZINC001164708942 719914307 /nfs/dbraw/zinc/91/43/07/719914307.db2.gz NYYVBSZQKXFORP-UHFFFAOYSA-N 1 1 454.579 0.559 20 0 JCADMO CN(C)C(=O)N1CC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001164713951 720162506 /nfs/dbraw/zinc/16/25/06/720162506.db2.gz MYNFHPJTBMWSRL-DEOSSOPVSA-N 1 1 470.622 0.661 20 0 JCADMO CN(C)C(=O)N1CC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001164713953 720161630 /nfs/dbraw/zinc/16/16/30/720161630.db2.gz MYNFHPJTBMWSRL-XMMPIXPASA-N 1 1 470.622 0.661 20 0 JCADMO Cn1nnc2c1CCN(c1ncccc1C(=O)N1CCNCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717714 720189824 /nfs/dbraw/zinc/18/98/24/720189824.db2.gz WKBSBRVOJKVVEZ-FQEVSTJZSA-N 1 1 454.579 0.472 20 0 JCADMO Cn1nnc2c1CCN(c1ncccc1C(=O)N1CCNCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717716 720188983 /nfs/dbraw/zinc/18/89/83/720188983.db2.gz WKBSBRVOJKVVEZ-HXUWFJFHSA-N 1 1 454.579 0.472 20 0 JCADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164720297 720261604 /nfs/dbraw/zinc/26/16/04/720261604.db2.gz UHSWYFRIHPGBDY-NRFANRHFSA-N 1 1 479.969 0.708 20 0 JCADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164720297 720261596 /nfs/dbraw/zinc/26/15/96/720261596.db2.gz 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CS(=O)(=O)C1CCC([N@@H+]2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)CC1 ZINC001169881344 1070003651 /nfs/dbraw/zinc/00/36/51/1070003651.db2.gz SZMHPNVCLUIXHI-HTZGDQIUSA-N 1 1 452.577 0.812 20 0 JCADMO CS(=O)(=O)C1CCC([N@H+]2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)CC1 ZINC001169881347 1070003125 /nfs/dbraw/zinc/00/31/25/1070003125.db2.gz SZMHPNVCLUIXHI-WYESBNJKSA-N 1 1 452.577 0.812 20 0 JCADMO CS(=O)(=O)C1CCC([N@@H+]2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)CC1 ZINC001169881347 1070003112 /nfs/dbraw/zinc/00/31/12/1070003112.db2.gz SZMHPNVCLUIXHI-WYESBNJKSA-N 1 1 452.577 0.812 20 0 JCADMO CS(=O)(=O)C1CCC([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CC1 ZINC001169881666 1070003605 /nfs/dbraw/zinc/00/36/05/1070003605.db2.gz KFVPTLIZEWREHI-BRAJZSMUSA-N 1 1 491.676 0.317 20 0 JCADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CC[NH+](C2CCC(S(C)(=O)=O)CC2)CC3)C1=O ZINC001169883225 1070004272 /nfs/dbraw/zinc/00/42/72/1070004272.db2.gz QQDCTMAVBAGIRK-LBXVMSDZSA-N 1 1 461.650 0.548 20 0 JCADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CC[NH+](C2CCC(S(C)(=O)=O)CC2)CC3)C1=O ZINC001169883226 1070004208 /nfs/dbraw/zinc/00/42/08/1070004208.db2.gz QQDCTMAVBAGIRK-UHYCVJNDSA-N 1 1 461.650 0.548 20 0 JCADMO CS(=O)(=O)C1CCC(N(Cc2cc(=O)n3c(n2)C[NH2+]CCC3)S(=O)(=O)C2CC2)CC1 ZINC001169885101 1070004302 /nfs/dbraw/zinc/00/43/02/1070004302.db2.gz MBTYBODPLPDROH-UHFFFAOYSA-N 1 1 458.606 0.387 20 0 JCADMO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001169891127 1070006455 /nfs/dbraw/zinc/00/64/55/1070006455.db2.gz VQHPDQZXHAVNQI-UHFFFAOYSA-N 1 1 454.593 0.689 20 0 JCADMO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001169891127 1070006438 /nfs/dbraw/zinc/00/64/38/1070006438.db2.gz VQHPDQZXHAVNQI-UHFFFAOYSA-N 1 1 454.593 0.689 20 0 JCADMO O=C(CN1CCN(c2[nH]cc[nH+]2)CC1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001169898406 1070005117 /nfs/dbraw/zinc/00/51/17/1070005117.db2.gz BYABEKCZPIAHGG-UHFFFAOYSA-N 1 1 454.503 0.343 20 0 JCADMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169907287 1070005023 /nfs/dbraw/zinc/00/50/23/1070005023.db2.gz CXJVNKDJTNUAEZ-HKUYNNGSSA-N 1 1 455.577 0.683 20 0 JCADMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169907287 1070005012 /nfs/dbraw/zinc/00/50/12/1070005012.db2.gz CXJVNKDJTNUAEZ-HKUYNNGSSA-N 1 1 455.577 0.683 20 0 JCADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169907288 1070004972 /nfs/dbraw/zinc/00/49/72/1070004972.db2.gz CXJVNKDJTNUAEZ-IEBWSBKVSA-N 1 1 455.577 0.683 20 0 JCADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169907288 1070004959 /nfs/dbraw/zinc/00/49/59/1070004959.db2.gz CXJVNKDJTNUAEZ-IEBWSBKVSA-N 1 1 455.577 0.683 20 0 JCADMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169907289 1070004800 /nfs/dbraw/zinc/00/48/00/1070004800.db2.gz CXJVNKDJTNUAEZ-MJGOQNOKSA-N 1 1 455.577 0.683 20 0 JCADMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169907289 1070004784 /nfs/dbraw/zinc/00/47/84/1070004784.db2.gz CXJVNKDJTNUAEZ-MJGOQNOKSA-N 1 1 455.577 0.683 20 0 JCADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169907290 1070005811 /nfs/dbraw/zinc/00/58/11/1070005811.db2.gz CXJVNKDJTNUAEZ-PKOBYXMFSA-N 1 1 455.577 0.683 20 0 JCADMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001169907290 1070005798 /nfs/dbraw/zinc/00/57/98/1070005798.db2.gz CXJVNKDJTNUAEZ-PKOBYXMFSA-N 1 1 455.577 0.683 20 0 JCADMO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169933038 1070006378 /nfs/dbraw/zinc/00/63/78/1070006378.db2.gz CNHZNRCOCLPPPS-FGTMMUONSA-N 1 1 450.561 0.695 20 0 JCADMO O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2C[N@H+]([C@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169933039 1070006324 /nfs/dbraw/zinc/00/63/24/1070006324.db2.gz CNHZNRCOCLPPPS-OKZBNKHCSA-N 1 1 450.561 0.695 20 0 JCADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CCCC2(C1)OCCO2 ZINC001169937704 1070006625 /nfs/dbraw/zinc/00/66/25/1070006625.db2.gz YTFOQCCHSFSXKG-FHWLQOOXSA-N 1 1 460.579 0.106 20 0 JCADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CCCC2(C1)OCCO2 ZINC001169937707 1070006171 /nfs/dbraw/zinc/00/61/71/1070006171.db2.gz YTFOQCCHSFSXKG-QYZOEREBSA-N 1 1 460.579 0.106 20 0 JCADMO C[C@@H]1CN(CC[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001169942387 1070006554 /nfs/dbraw/zinc/00/65/54/1070006554.db2.gz NNULTFWAPHBYHD-BGYRXZFFSA-N 1 1 452.621 0.702 20 0 JCADMO C[C@@H]1CN(CC[N@H+](C)CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001169942387 1070006544 /nfs/dbraw/zinc/00/65/44/1070006544.db2.gz NNULTFWAPHBYHD-BGYRXZFFSA-N 1 1 452.621 0.702 20 0 JCADMO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC001169943016 1070007109 /nfs/dbraw/zinc/00/71/09/1070007109.db2.gz QWLJAFGXEDIWFZ-DXIQSLLYSA-N 1 1 451.589 0.929 20 0 JCADMO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC001169943016 1070007092 /nfs/dbraw/zinc/00/70/92/1070007092.db2.gz QWLJAFGXEDIWFZ-DXIQSLLYSA-N 1 1 451.589 0.929 20 0 JCADMO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC001169943019 1070007156 /nfs/dbraw/zinc/00/71/56/1070007156.db2.gz QWLJAFGXEDIWFZ-KNKQGSTJSA-N 1 1 451.589 0.929 20 0 JCADMO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC001169943019 1070007141 /nfs/dbraw/zinc/00/71/41/1070007141.db2.gz QWLJAFGXEDIWFZ-KNKQGSTJSA-N 1 1 451.589 0.929 20 0 JCADMO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC001169943022 1070007270 /nfs/dbraw/zinc/00/72/70/1070007270.db2.gz QWLJAFGXEDIWFZ-WOIUINJBSA-N 1 1 451.589 0.929 20 0 JCADMO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC001169943022 1070007262 /nfs/dbraw/zinc/00/72/62/1070007262.db2.gz QWLJAFGXEDIWFZ-WOIUINJBSA-N 1 1 451.589 0.929 20 0 JCADMO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC001169943026 1070006948 /nfs/dbraw/zinc/00/69/48/1070006948.db2.gz QWLJAFGXEDIWFZ-XQBPLPMBSA-N 1 1 451.589 0.929 20 0 JCADMO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC001169943026 1070006930 /nfs/dbraw/zinc/00/69/30/1070006930.db2.gz QWLJAFGXEDIWFZ-XQBPLPMBSA-N 1 1 451.589 0.929 20 0 JCADMO C[C@@H]1C[N@H+](CCN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](C)O1 ZINC001169943935 1070007384 /nfs/dbraw/zinc/00/73/84/1070007384.db2.gz XHHXUKORLXSWHE-HDICACEKSA-N 1 1 454.593 0.687 20 0 JCADMO C[C@@H]1C[N@@H+](CCN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](C)O1 ZINC001169943935 1070007374 /nfs/dbraw/zinc/00/73/74/1070007374.db2.gz XHHXUKORLXSWHE-HDICACEKSA-N 1 1 454.593 0.687 20 0 JCADMO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@@H]12 ZINC001169945636 1070006988 /nfs/dbraw/zinc/00/69/88/1070006988.db2.gz LMCLHMGBIAKBFL-SBHAEUEKSA-N 1 1 471.620 0.647 20 0 JCADMO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]12 ZINC001169945637 1070007293 /nfs/dbraw/zinc/00/72/93/1070007293.db2.gz LMCLHMGBIAKBFL-ZVDOUQERSA-N 1 1 471.620 0.647 20 0 JCADMO Cn1c(=O)cc(Nc2cccc(N3CCN(S(C)(=O)=O)CC3)[nH+]2)n(-c2ccccc2)c1=O ZINC001169958757 1070007205 /nfs/dbraw/zinc/00/72/05/1070007205.db2.gz OWYZHGMPOMBHEH-UHFFFAOYSA-N 1 1 456.528 0.756 20 0 JCADMO O=C(C[NH+]1CCC(N2CN=NC2=O)CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001169962849 1070007025 /nfs/dbraw/zinc/00/70/25/1070007025.db2.gz IZJKVNVHONVUSY-UHFFFAOYSA-N 1 1 452.512 0.293 20 0 JCADMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2c1C ZINC001169972209 1070008803 /nfs/dbraw/zinc/00/88/03/1070008803.db2.gz RKKDMXMKRAQVJK-MVHGGMCBSA-N 1 1 452.577 0.752 20 0 JCADMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)c2c1C ZINC001169972210 1070008724 /nfs/dbraw/zinc/00/87/24/1070008724.db2.gz RKKDMXMKRAQVJK-VJPUPKIGSA-N 1 1 452.577 0.752 20 0 JCADMO Cc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H](N)C(C)C)c(=O)nc2N)nc2c1C[NH2+]CC2 ZINC001169977053 1070009579 /nfs/dbraw/zinc/00/95/79/1070009579.db2.gz LRWGASQIYPPYAA-KRWDZBQOSA-N 1 1 470.534 0.014 20 0 JCADMO CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n(-c1cccc(N3CC[NH2+]CC3)c1)c(N)nc2=O ZINC001169979554 1070012665 /nfs/dbraw/zinc/01/26/65/1070012665.db2.gz BIJAXSSLWPTCAF-SFHVURJKSA-N 1 1 484.561 0.075 20 0 JCADMO CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n(-c1ccccc1C(C)(C)[NH3+])c(N)nc2=O ZINC001169979929 1070014016 /nfs/dbraw/zinc/01/40/16/1070014016.db2.gz GTHQEPGHJKJGQU-INIZCTEOSA-N 1 1 457.535 0.859 20 0 JCADMO CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n(-c1cccc(CN3CC[C@@H]([NH3+])C3)c1)c(N)nc2=O ZINC001169979930 1070013955 /nfs/dbraw/zinc/01/39/55/1070013955.db2.gz GTZWXIGVNBHWSA-MJGOQNOKSA-N 1 1 498.588 0.198 20 0 JCADMO CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n(-c1ccc3c(N)cc[nH+]c3c1)c(N)nc2=O ZINC001169979974 1070011200 /nfs/dbraw/zinc/01/12/00/1070011200.db2.gz JFGSTMZEKOQNTR-KRWDZBQOSA-N 1 1 466.502 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1068535864 /nfs/dbraw/zinc/53/58/64/1068535864.db2.gz NJXYRKYTOWATIK-IAGOWNOFSA-N 1 1 455.552 0.877 20 0 JCADMO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCO1 ZINC001179154669 1068535542 /nfs/dbraw/zinc/53/55/42/1068535542.db2.gz NJXYRKYTOWATIK-IRXDYDNUSA-N 1 1 455.552 0.877 20 0 JCADMO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCO1 ZINC001179154670 1068535585 /nfs/dbraw/zinc/53/55/85/1068535585.db2.gz NJXYRKYTOWATIK-SJORKVTESA-N 1 1 455.552 0.877 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154727 1068536620 /nfs/dbraw/zinc/53/66/20/1068536620.db2.gz OPTCIHZRSFAGCY-FQEVSTJZSA-N 1 1 493.649 0.853 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154728 1068536702 /nfs/dbraw/zinc/53/67/02/1068536702.db2.gz OPTCIHZRSFAGCY-HXUWFJFHSA-N 1 1 493.649 0.853 20 0 JCADMO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 ZINC001179154745 1068536903 /nfs/dbraw/zinc/53/69/03/1068536903.db2.gz PBSKKCXRJIFUJU-MFEFFIJZSA-N 1 1 467.563 0.735 20 0 JCADMO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 ZINC001179154746 1068536387 /nfs/dbraw/zinc/53/63/87/1068536387.db2.gz PBSKKCXRJIFUJU-QQMNAOGKSA-N 1 1 467.563 0.735 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N2CCC3(CC2)CNC(=O)CO3)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154785 1068536574 /nfs/dbraw/zinc/53/65/74/1068536574.db2.gz PWRQHPVEHDNDPS-KRWDZBQOSA-N 1 1 466.579 0.594 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N2CCC3(CC2)CNC(=O)CO3)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154786 1068536521 /nfs/dbraw/zinc/53/65/21/1068536521.db2.gz PWRQHPVEHDNDPS-QGZVFWFLSA-N 1 1 466.579 0.594 20 0 JCADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 ZINC001179154801 1068536332 /nfs/dbraw/zinc/53/63/32/1068536332.db2.gz QLHKGOFKFADEPX-KRWDZBQOSA-N 1 1 491.593 0.357 20 0 JCADMO CC(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 ZINC001179154802 1068536875 /nfs/dbraw/zinc/53/68/75/1068536875.db2.gz QLHKGOFKFADEPX-QGZVFWFLSA-N 1 1 491.593 0.357 20 0 JCADMO COC(=O)C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCO1 ZINC001179154847 1068536283 /nfs/dbraw/zinc/53/62/83/1068536283.db2.gz ROMPBNPOENZCOK-DLBZAZTESA-N 1 1 455.552 0.877 20 0 JCADMO COC(=O)C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCO1 ZINC001179154848 1068536807 /nfs/dbraw/zinc/53/68/07/1068536807.db2.gz ROMPBNPOENZCOK-IAGOWNOFSA-N 1 1 455.552 0.877 20 0 JCADMO COC(=O)C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCO1 ZINC001179154849 1068536750 /nfs/dbraw/zinc/53/67/50/1068536750.db2.gz ROMPBNPOENZCOK-IRXDYDNUSA-N 1 1 455.552 0.877 20 0 JCADMO COC(=O)C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCO1 ZINC001179154850 1068536927 /nfs/dbraw/zinc/53/69/27/1068536927.db2.gz ROMPBNPOENZCOK-SJORKVTESA-N 1 1 455.552 0.877 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N[C@@H](CO)C(=O)OC(C)(C)C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154961 1068536790 /nfs/dbraw/zinc/53/67/90/1068536790.db2.gz AUAGONKAAVZDJX-HOTGVXAUSA-N 1 1 457.568 0.906 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N[C@@H](CO)C(=O)OC(C)(C)C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154963 1068536771 /nfs/dbraw/zinc/53/67/71/1068536771.db2.gz AUAGONKAAVZDJX-JKSUJKDBSA-N 1 1 457.568 0.906 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N2CCN(C3CCOCC3)C(=O)C2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154979 1068536233 /nfs/dbraw/zinc/53/62/33/1068536233.db2.gz TXYLWGAMAIEQQS-IBGZPJMESA-N 1 1 480.606 0.937 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N2CCN(C3CCOCC3)C(=O)C2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154981 1068536728 /nfs/dbraw/zinc/53/67/28/1068536728.db2.gz TXYLWGAMAIEQQS-LJQANCHMSA-N 1 1 480.606 0.937 20 0 JCADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154988 1068536824 /nfs/dbraw/zinc/53/68/24/1068536824.db2.gz AWYSBHQPPUXFBW-MSOLQXFVSA-N 1 1 479.578 0.721 20 0 JCADMO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154990 1068536180 /nfs/dbraw/zinc/53/61/80/1068536180.db2.gz AWYSBHQPPUXFBW-QZTJIDSGSA-N 1 1 479.578 0.721 20 0 JCADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154992 1068536652 /nfs/dbraw/zinc/53/66/52/1068536652.db2.gz AWYSBHQPPUXFBW-ROUUACIJSA-N 1 1 479.578 0.721 20 0 JCADMO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179154994 1068536437 /nfs/dbraw/zinc/53/64/37/1068536437.db2.gz AWYSBHQPPUXFBW-ZWKOTPCHSA-N 1 1 479.578 0.721 20 0 JCADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 ZINC001179155143 1068537393 /nfs/dbraw/zinc/53/73/93/1068537393.db2.gz UJUJUTHJXAIOGX-FDDCHVKYSA-N 1 1 493.605 0.036 20 0 JCADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 ZINC001179155145 1068537236 /nfs/dbraw/zinc/53/72/36/1068537236.db2.gz UJUJUTHJXAIOGX-JPYJTQIMSA-N 1 1 493.605 0.036 20 0 JCADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 ZINC001179155146 1068537706 /nfs/dbraw/zinc/53/77/06/1068537706.db2.gz UJUJUTHJXAIOGX-MBSDFSHPSA-N 1 1 493.605 0.036 20 0 JCADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O1)C2 ZINC001179155147 1068537259 /nfs/dbraw/zinc/53/72/59/1068537259.db2.gz UJUJUTHJXAIOGX-WZONZLPQSA-N 1 1 493.605 0.036 20 0 JCADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155233 1068537345 /nfs/dbraw/zinc/53/73/45/1068537345.db2.gz VYGKFDQWNZSTBA-DLBZAZTESA-N 1 1 482.578 0.367 20 0 JCADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155234 1068537208 /nfs/dbraw/zinc/53/72/08/1068537208.db2.gz VYGKFDQWNZSTBA-IAGOWNOFSA-N 1 1 482.578 0.367 20 0 JCADMO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155235 1068537281 /nfs/dbraw/zinc/53/72/81/1068537281.db2.gz VYGKFDQWNZSTBA-IRXDYDNUSA-N 1 1 482.578 0.367 20 0 JCADMO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155236 1068537570 /nfs/dbraw/zinc/53/75/70/1068537570.db2.gz VYGKFDQWNZSTBA-SJORKVTESA-N 1 1 482.578 0.367 20 0 JCADMO C[N@H+]1C[C@H](C(=O)NCCCN2CCS(=O)(=O)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155251 1068537662 /nfs/dbraw/zinc/53/76/62/1068537662.db2.gz DXWQJXUMWBKYGU-GOSISDBHSA-N 1 1 488.651 0.323 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)NCCCN2CCS(=O)(=O)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155252 1068537742 /nfs/dbraw/zinc/53/77/42/1068537742.db2.gz DXWQJXUMWBKYGU-SFHVURJKSA-N 1 1 488.651 0.323 20 0 JCADMO CN1C[C@@H](C(=O)NCCN2CCC[N@@H+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155277 1068537330 /nfs/dbraw/zinc/53/73/30/1068537330.db2.gz FLEZSPIRQSRGJM-IBGZPJMESA-N 1 1 453.628 0.840 20 0 JCADMO CN1C[C@@H](C(=O)NCCN2CCC[N@H+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155277 1068537324 /nfs/dbraw/zinc/53/73/24/1068537324.db2.gz FLEZSPIRQSRGJM-IBGZPJMESA-N 1 1 453.628 0.840 20 0 JCADMO CN1C[C@H](C(=O)NCCN2CCC[N@@H+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155278 1068537380 /nfs/dbraw/zinc/53/73/80/1068537380.db2.gz FLEZSPIRQSRGJM-LJQANCHMSA-N 1 1 453.628 0.840 20 0 JCADMO CN1C[C@H](C(=O)NCCN2CCC[N@H+](C)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155278 1068537374 /nfs/dbraw/zinc/53/73/74/1068537374.db2.gz FLEZSPIRQSRGJM-LJQANCHMSA-N 1 1 453.628 0.840 20 0 JCADMO C[N@H+]1C[C@H](C(=O)NCC2CCN(S(C)(=O)=O)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155303 1068537535 /nfs/dbraw/zinc/53/75/35/1068537535.db2.gz GBMNOCBZVGBHQL-GOSISDBHSA-N 1 1 488.651 0.875 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)NCC2CCN(S(C)(=O)=O)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155304 1068537424 /nfs/dbraw/zinc/53/74/24/1068537424.db2.gz GBMNOCBZVGBHQL-SFHVURJKSA-N 1 1 488.651 0.875 20 0 JCADMO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCN1C(C)=O ZINC001179155435 1068537489 /nfs/dbraw/zinc/53/74/89/1068537489.db2.gz BFHGKCMGEPTQMH-MSOLQXFVSA-N 1 1 482.578 0.319 20 0 JCADMO COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCN1C(C)=O ZINC001179155439 1068537775 /nfs/dbraw/zinc/53/77/75/1068537775.db2.gz BFHGKCMGEPTQMH-QZTJIDSGSA-N 1 1 482.578 0.319 20 0 JCADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCN1C(C)=O ZINC001179155440 1068537459 /nfs/dbraw/zinc/53/74/59/1068537459.db2.gz BFHGKCMGEPTQMH-ROUUACIJSA-N 1 1 482.578 0.319 20 0 JCADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)CCN1C(C)=O ZINC001179155442 1068537615 /nfs/dbraw/zinc/53/76/15/1068537615.db2.gz BFHGKCMGEPTQMH-ZWKOTPCHSA-N 1 1 482.578 0.319 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)Nc2cncc(S(N)(=O)=O)c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155543 1068538406 /nfs/dbraw/zinc/53/84/06/1068538406.db2.gz YBTSUCLKOPXSAA-INIZCTEOSA-N 1 1 469.564 0.768 20 0 JCADMO C[N@@H+]1C[C@@H](C(=O)Nc2cncc(S(N)(=O)=O)c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155543 1068538395 /nfs/dbraw/zinc/53/83/95/1068538395.db2.gz YBTSUCLKOPXSAA-INIZCTEOSA-N 1 1 469.564 0.768 20 0 JCADMO C[N@H+]1C[C@H](C(=O)Nc2cncc(S(N)(=O)=O)c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155544 1068538637 /nfs/dbraw/zinc/53/86/37/1068538637.db2.gz YBTSUCLKOPXSAA-MRXNPFEDSA-N 1 1 469.564 0.768 20 0 JCADMO C[N@@H+]1C[C@H](C(=O)Nc2cncc(S(N)(=O)=O)c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155544 1068538628 /nfs/dbraw/zinc/53/86/28/1068538628.db2.gz YBTSUCLKOPXSAA-MRXNPFEDSA-N 1 1 469.564 0.768 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)NCCOCCN2C(=O)C=CC2=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155605 1068538605 /nfs/dbraw/zinc/53/86/05/1068538605.db2.gz HKEFFKYJQPUMAV-KRWDZBQOSA-N 1 1 480.562 0.145 20 0 JCADMO C[N@H+]1C[C@H](C(=O)NCCOCCN2C(=O)C=CC2=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155606 1068538301 /nfs/dbraw/zinc/53/83/01/1068538301.db2.gz HKEFFKYJQPUMAV-QGZVFWFLSA-N 1 1 480.562 0.145 20 0 JCADMO CCOC(=O)CC1(NC(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)COC1 ZINC001179155625 1068538520 /nfs/dbraw/zinc/53/85/20/1068538520.db2.gz HUDWVUKPFQARHT-INIZCTEOSA-N 1 1 455.552 0.925 20 0 JCADMO CCOC(=O)CC1(NC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)COC1 ZINC001179155626 1068538125 /nfs/dbraw/zinc/53/81/25/1068538125.db2.gz HUDWVUKPFQARHT-MRXNPFEDSA-N 1 1 455.552 0.925 20 0 JCADMO CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155755 1068538480 /nfs/dbraw/zinc/53/84/80/1068538480.db2.gz YLPIGFFCNLDKSI-DLBZAZTESA-N 1 1 455.552 0.877 20 0 JCADMO CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155756 1068538206 /nfs/dbraw/zinc/53/82/06/1068538206.db2.gz YLPIGFFCNLDKSI-IAGOWNOFSA-N 1 1 455.552 0.877 20 0 JCADMO CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155758 1068538547 /nfs/dbraw/zinc/53/85/47/1068538547.db2.gz YLPIGFFCNLDKSI-IRXDYDNUSA-N 1 1 455.552 0.877 20 0 JCADMO CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179155760 1068538679 /nfs/dbraw/zinc/53/86/79/1068538679.db2.gz YLPIGFFCNLDKSI-SJORKVTESA-N 1 1 455.552 0.877 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N2CCC3(CNC(=O)N3)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155910 1068538350 /nfs/dbraw/zinc/53/83/50/1068538350.db2.gz ZJKSZIHIAAKQKN-INIZCTEOSA-N 1 1 451.568 0.761 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N2CCC3(CNC(=O)N3)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155913 1068538253 /nfs/dbraw/zinc/53/82/53/1068538253.db2.gz ZJKSZIHIAAKQKN-MRXNPFEDSA-N 1 1 451.568 0.761 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N2CCN(c3ncc(O)cn3)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155953 1068538017 /nfs/dbraw/zinc/53/80/17/1068538017.db2.gz ZUWHAYVXELELJG-GOSISDBHSA-N 1 1 476.578 0.931 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N2CCN(c3ncc(O)cn3)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155954 1068538655 /nfs/dbraw/zinc/53/86/55/1068538655.db2.gz ZUWHAYVXELELJG-SFHVURJKSA-N 1 1 476.578 0.931 20 0 JCADMO CCOC(=O)c1nnc(CNC(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)o1 ZINC001179156160 1068538056 /nfs/dbraw/zinc/53/80/56/1068538056.db2.gz MJJACBUGPIGWQY-AWEZNQCLSA-N 1 1 467.523 0.963 20 0 JCADMO CCOC(=O)c1nnc(CNC(=O)[C@@H]2C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)o1 ZINC001179156160 1068538048 /nfs/dbraw/zinc/53/80/48/1068538048.db2.gz MJJACBUGPIGWQY-AWEZNQCLSA-N 1 1 467.523 0.963 20 0 JCADMO CCOC(=O)c1nnc(CNC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)o1 ZINC001179156162 1068538711 /nfs/dbraw/zinc/53/87/11/1068538711.db2.gz MJJACBUGPIGWQY-CQSZACIVSA-N 1 1 467.523 0.963 20 0 JCADMO CCOC(=O)c1nnc(CNC(=O)[C@H]2C[N@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)o1 ZINC001179156162 1068538703 /nfs/dbraw/zinc/53/87/03/1068538703.db2.gz MJJACBUGPIGWQY-CQSZACIVSA-N 1 1 467.523 0.963 20 0 JCADMO COC(=O)CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1)C(N)=O ZINC001179156171 1068538578 /nfs/dbraw/zinc/53/85/78/1068538578.db2.gz MJZCAZFBVKIYIO-GJZGRUSLSA-N 1 1 456.540 0.010 20 0 JCADMO COC(=O)CC[C@H](NC(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1)C(N)=O ZINC001179156172 1068538153 /nfs/dbraw/zinc/53/81/53/1068538153.db2.gz MJZCAZFBVKIYIO-LSDHHAIUSA-N 1 1 456.540 0.010 20 0 JCADMO Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179156373 1068539319 /nfs/dbraw/zinc/53/93/19/1068539319.db2.gz OVSNPNYSNGQSPO-GFCCVEGCSA-N 1 1 466.495 0.923 20 0 JCADMO Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179156374 1068539205 /nfs/dbraw/zinc/53/92/05/1068539205.db2.gz OVSNPNYSNGQSPO-LBPRGKRZSA-N 1 1 466.495 0.923 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N[C@@H]2COCCC23OCCO3)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156447 1068539414 /nfs/dbraw/zinc/53/94/14/1068539414.db2.gz QTPOTIZZMVOHQL-DLBZAZTESA-N 1 1 455.552 0.735 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N[C@@H]2COCCC23OCCO3)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156448 1068539077 /nfs/dbraw/zinc/53/90/77/1068539077.db2.gz QTPOTIZZMVOHQL-IAGOWNOFSA-N 1 1 455.552 0.735 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N[C@H]2COCCC23OCCO3)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156449 1068539164 /nfs/dbraw/zinc/53/91/64/1068539164.db2.gz QTPOTIZZMVOHQL-IRXDYDNUSA-N 1 1 455.552 0.735 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N[C@H]2COCCC23OCCO3)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156450 1068539446 /nfs/dbraw/zinc/53/94/46/1068539446.db2.gz QTPOTIZZMVOHQL-SJORKVTESA-N 1 1 455.552 0.735 20 0 JCADMO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)O1 ZINC001179156643 1068539137 /nfs/dbraw/zinc/53/91/37/1068539137.db2.gz SGAQACASTCAQKI-FTEYMNFISA-N 1 1 470.611 0.928 20 0 JCADMO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)O1 ZINC001179156644 1068539484 /nfs/dbraw/zinc/53/94/84/1068539484.db2.gz SGAQACASTCAQKI-MLYOOKFZSA-N 1 1 470.611 0.928 20 0 JCADMO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)O1 ZINC001179156645 1068539348 /nfs/dbraw/zinc/53/93/48/1068539348.db2.gz SGAQACASTCAQKI-SOAMZJECSA-N 1 1 470.611 0.928 20 0 JCADMO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)O1 ZINC001179156646 1068539249 /nfs/dbraw/zinc/53/92/49/1068539249.db2.gz SGAQACASTCAQKI-XSYGEPLQSA-N 1 1 470.611 0.928 20 0 JCADMO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179156691 1068539390 /nfs/dbraw/zinc/53/93/90/1068539390.db2.gz LSLCNSHMSKLFEW-DLBZAZTESA-N 1 1 454.568 0.402 20 0 JCADMO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179156692 1068539264 /nfs/dbraw/zinc/53/92/64/1068539264.db2.gz LSLCNSHMSKLFEW-IAGOWNOFSA-N 1 1 454.568 0.402 20 0 JCADMO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179156693 1068539367 /nfs/dbraw/zinc/53/93/67/1068539367.db2.gz LSLCNSHMSKLFEW-IRXDYDNUSA-N 1 1 454.568 0.402 20 0 JCADMO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179156694 1068538998 /nfs/dbraw/zinc/53/89/98/1068538998.db2.gz LSLCNSHMSKLFEW-SJORKVTESA-N 1 1 454.568 0.402 20 0 JCADMO CCn1c(N)c(NC(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)c(=O)n(CC)c1=O ZINC001179157451 1068540170 /nfs/dbraw/zinc/54/01/70/1068540170.db2.gz UDSXBQFLZHFPFC-HNNXBMFYSA-N 1 1 494.593 0.671 20 0 JCADMO CCn1c(N)c(NC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)c(=O)n(CC)c1=O ZINC001179157452 1068540054 /nfs/dbraw/zinc/54/00/54/1068540054.db2.gz UDSXBQFLZHFPFC-OAHLLOKOSA-N 1 1 494.593 0.671 20 0 JCADMO COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179157485 1068540128 /nfs/dbraw/zinc/54/01/28/1068540128.db2.gz VBRHILVJQSFIDN-HRAATJIYSA-N 1 1 455.552 0.877 20 0 JCADMO COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179157486 1068540356 /nfs/dbraw/zinc/54/03/56/1068540356.db2.gz VBRHILVJQSFIDN-IERDGZPVSA-N 1 1 455.552 0.877 20 0 JCADMO COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179157487 1068539789 /nfs/dbraw/zinc/53/97/89/1068539789.db2.gz VBRHILVJQSFIDN-IIBYNOLFSA-N 1 1 455.552 0.877 20 0 JCADMO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179157488 1068540002 /nfs/dbraw/zinc/54/00/02/1068540002.db2.gz VBRHILVJQSFIDN-KKSFZXQISA-N 1 1 455.552 0.877 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)N2CCN(c3ncncn3)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179157969 1068539959 /nfs/dbraw/zinc/53/99/59/1068539959.db2.gz YQFILCLQKIYUFG-KRWDZBQOSA-N 1 1 461.567 0.621 20 0 JCADMO C[N@H+]1C[C@H](C(=O)N2CCN(c3ncncn3)CC2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179157970 1068539929 /nfs/dbraw/zinc/53/99/29/1068539929.db2.gz YQFILCLQKIYUFG-QGZVFWFLSA-N 1 1 461.567 0.621 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2N)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179158008 1068540238 /nfs/dbraw/zinc/54/02/38/1068540238.db2.gz ZDABVTVSRCDRAN-KRWDZBQOSA-N 1 1 483.591 0.955 20 0 JCADMO C[N@@H+]1C[C@@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2N)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179158008 1068540224 /nfs/dbraw/zinc/54/02/24/1068540224.db2.gz ZDABVTVSRCDRAN-KRWDZBQOSA-N 1 1 483.591 0.955 20 0 JCADMO C[N@H+]1C[C@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2N)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179158013 1068539834 /nfs/dbraw/zinc/53/98/34/1068539834.db2.gz ZDABVTVSRCDRAN-QGZVFWFLSA-N 1 1 483.591 0.955 20 0 JCADMO C[N@@H+]1C[C@H](C(=O)Nc2cc(S(N)(=O)=O)ccc2N)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179158013 1068539824 /nfs/dbraw/zinc/53/98/24/1068539824.db2.gz ZDABVTVSRCDRAN-QGZVFWFLSA-N 1 1 483.591 0.955 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)NCCN2CCCS2(=O)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179159867 1068540272 /nfs/dbraw/zinc/54/02/72/1068540272.db2.gz GSKIRZWNFHPFLY-INIZCTEOSA-N 1 1 460.597 0.238 20 0 JCADMO C[N@H+]1C[C@H](C(=O)NCCN2CCCS2(=O)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179159868 1068539856 /nfs/dbraw/zinc/53/98/56/1068539856.db2.gz GSKIRZWNFHPFLY-MRXNPFEDSA-N 1 1 460.597 0.238 20 0 JCADMO C[N@H+]1C[C@H](C(=O)NCC(=O)NCC(F)(F)F)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179160813 1068540406 /nfs/dbraw/zinc/54/04/06/1068540406.db2.gz PPNFAIIIILZJQQ-CYBMUJFWSA-N 1 1 452.474 0.881 20 0 JCADMO C[N@H+]1C[C@@H](C(=O)NCC(=O)NCC(F)(F)F)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179160814 1068540383 /nfs/dbraw/zinc/54/03/83/1068540383.db2.gz PPNFAIIIILZJQQ-ZDUSSCGKSA-N 1 1 452.474 0.881 20 0 JCADMO CC(C)(C)OC(=O)N1CCC2(CC1)O[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)c1ccccc12 ZINC001179165852 1068539910 /nfs/dbraw/zinc/53/99/10/1068539910.db2.gz FZGNYVDBGCKCII-CADBVGFASA-N 1 1 458.563 0.503 20 0 JCADMO CC(C)(C)OC(=O)N1CCC2(CC1)O[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)c1ccccc12 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C[NH+]1CCN(c2cnccc2C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC001198147258 1069730179 /nfs/dbraw/zinc/73/01/79/1069730179.db2.gz PBYAXAUARJDHNY-QFIPXVFZSA-N 1 1 451.527 0.958 20 0 JCADMO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)c1ccncc1N1CC[NH+](C)CC1)CC2 ZINC001198147268 1069730565 /nfs/dbraw/zinc/73/05/65/1069730565.db2.gz PEYGAMQSKGRFFQ-UHFFFAOYSA-N 1 1 452.559 0.324 20 0 JCADMO C[NH+]1CCN(c2cnccc2C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001198147787 1069730248 /nfs/dbraw/zinc/73/02/48/1069730248.db2.gz TUZRVLBESAWVDJ-HSZRJFAPSA-N 1 1 453.547 0.371 20 0 JCADMO C[NH+]1CCN(c2cnccc2C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CC1 ZINC001198147789 1069730532 /nfs/dbraw/zinc/73/05/32/1069730532.db2.gz TUZRVLBESAWVDJ-QHCPKHFHSA-N 1 1 453.547 0.371 20 0 JCADMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001198148399 1069730227 /nfs/dbraw/zinc/73/02/27/1069730227.db2.gz YSZKVBLDINRYIR-CXAGYDPISA-N 1 1 454.549 0.157 20 0 JCADMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001198148402 1069730587 /nfs/dbraw/zinc/73/05/87/1069730587.db2.gz YSZKVBLDINRYIR-DYVFJYSZSA-N 1 1 454.549 0.157 20 0 JCADMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001198148404 1069730308 /nfs/dbraw/zinc/73/03/08/1069730308.db2.gz YSZKVBLDINRYIR-GUYCJALGSA-N 1 1 454.549 0.157 20 0 JCADMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001198148406 1069730197 /nfs/dbraw/zinc/73/01/97/1069730197.db2.gz YSZKVBLDINRYIR-SUMWQHHRSA-N 1 1 454.549 0.157 20 0 JCADMO C[NH+]1CCN(c2cnccc2C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC1 ZINC001198150614 1069730380 /nfs/dbraw/zinc/73/03/80/1069730380.db2.gz GZAOOHUHNRPCDS-UHFFFAOYSA-N 1 1 488.979 0.034 20 0 JCADMO COc1nccn(C(=O)c2ccncc2N2CC[NH+](C)CC2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001198151600 1069731464 /nfs/dbraw/zinc/73/14/64/1069731464.db2.gz YZRSXXBZGOZLQW-UHFFFAOYSA-N 1 1 483.554 0.599 20 0 JCADMO C[NH+]1CCN(c2cnccc2C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001198152421 1069731182 /nfs/dbraw/zinc/73/11/82/1069731182.db2.gz CEORPKFDFPDQCW-UHFFFAOYSA-N 1 1 496.634 0.446 20 0 JCADMO CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C(=O)N(C)C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001198156319 1069730983 /nfs/dbraw/zinc/73/09/83/1069730983.db2.gz GVUQBLSKJYWNAG-INIZCTEOSA-N 1 1 450.584 0.976 20 0 JCADMO CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N(C)C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001198156324 1069731401 /nfs/dbraw/zinc/73/14/01/1069731401.db2.gz GVUQBLSKJYWNAG-MRXNPFEDSA-N 1 1 450.584 0.976 20 0 JCADMO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)c3ccncc3N3CC[NH+](C)CC3)ccc12 ZINC001198157797 1069731560 /nfs/dbraw/zinc/73/15/60/1069731560.db2.gz NSMCUEXXWNPREV-UHFFFAOYSA-N 1 1 492.536 0.733 20 0 JCADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccncc1N1CC[NH+](C)CC1)C(N)=O ZINC001198158092 1069731101 /nfs/dbraw/zinc/73/11/01/1069731101.db2.gz SXSGNGKMVMHVBI-IRLDBZIGSA-N 1 1 482.585 0.506 20 0 JCADMO CCOC(=O)[C@H](NC(=O)c1ccncc1N1CC[NH+](C)CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001198158233 1069731488 /nfs/dbraw/zinc/73/14/88/1069731488.db2.gz ATCICXIBHYOHNV-RTWAWAEBSA-N 1 1 490.582 0.632 20 0 JCADMO C[NH+]1CCN(c2cnccc2C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001198159572 1069731345 /nfs/dbraw/zinc/73/13/45/1069731345.db2.gz SEQCYMMCJOHRBN-UHFFFAOYSA-N 1 1 459.572 0.784 20 0 JCADMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C[C@H]1CS(N)(=O)=O ZINC001198240038 1069735671 /nfs/dbraw/zinc/73/56/71/1069735671.db2.gz GOSFBEHAMJUACK-CVEARBPZSA-N 1 1 458.606 0.656 20 0 JCADMO O=C(C[NH+]1CCC2(CCNC(=O)O2)CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001198301928 1069737693 /nfs/dbraw/zinc/73/76/93/1069737693.db2.gz YPXXYROONWDDTO-UHFFFAOYSA-N 1 1 454.524 0.623 20 0 JCADMO O=C(C[NH+]1CCC(O)(C2CCC2)CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001198346366 1069738400 /nfs/dbraw/zinc/73/84/00/1069738400.db2.gz LHFLEHHRDJLQDP-UHFFFAOYSA-N 1 1 451.589 0.951 20 0 JCADMO Cc1ncc(S(=O)(=O)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC2)n1C ZINC001198363726 1069739041 /nfs/dbraw/zinc/73/90/41/1069739041.db2.gz DBEIQZCBMNLNTM-JOCHJYFZSA-N 1 1 458.588 0.917 20 0 JCADMO Cc1ncc(S(=O)(=O)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC2)n1C ZINC001198363727 1069739340 /nfs/dbraw/zinc/73/93/40/1069739340.db2.gz DBEIQZCBMNLNTM-QFIPXVFZSA-N 1 1 458.588 0.917 20 0 JCADMO CC[N@@H+](CCC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001198363882 1069739113 /nfs/dbraw/zinc/73/91/13/1069739113.db2.gz VOVCKEDKZBXFIC-UHFFFAOYSA-N 1 1 450.605 0.856 20 0 JCADMO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c(=O)[nH]c1=O ZINC001198421964 1069742420 /nfs/dbraw/zinc/74/24/20/1069742420.db2.gz QQVISNLUTCSFCV-JYJNAYRXSA-N 1 1 454.547 0.427 20 0 JCADMO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c(=O)[nH]c1=O ZINC001198421964 1069742404 /nfs/dbraw/zinc/74/24/04/1069742404.db2.gz QQVISNLUTCSFCV-JYJNAYRXSA-N 1 1 454.547 0.427 20 0 JCADMO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c(=O)[nH]c1=O ZINC001198421965 1069742035 /nfs/dbraw/zinc/74/20/35/1069742035.db2.gz QQVISNLUTCSFCV-PMPSAXMXSA-N 1 1 454.547 0.427 20 0 JCADMO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c(=O)[nH]c1=O ZINC001198421965 1069742024 /nfs/dbraw/zinc/74/20/24/1069742024.db2.gz QQVISNLUTCSFCV-PMPSAXMXSA-N 1 1 454.547 0.427 20 0 JCADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[N@H+]4C[C@@H](F)C[C@H]4C3)CC2)c1 ZINC001198422293 1069742244 /nfs/dbraw/zinc/74/22/44/1069742244.db2.gz WKRQBQNWRGHFAN-OALUTQOASA-N 1 1 452.552 0.450 20 0 JCADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[N@@H+]4C[C@@H](F)C[C@H]4C3)CC2)c1 ZINC001198422293 1069742233 /nfs/dbraw/zinc/74/22/33/1069742233.db2.gz WKRQBQNWRGHFAN-OALUTQOASA-N 1 1 452.552 0.450 20 0 JCADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1[nH]nc2c1CC[C@@H]2C)C(N)=O ZINC001198475481 1069747412 /nfs/dbraw/zinc/74/74/12/1069747412.db2.gz CRBFTGXTZADBOK-DKIMLUQUSA-N 1 1 489.621 0.304 20 0 JCADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1[nH]nc2c1CC[C@H]2C)C(N)=O ZINC001198475482 1069747528 /nfs/dbraw/zinc/74/75/28/1069747528.db2.gz CRBFTGXTZADBOK-UBDQQSCGSA-N 1 1 489.621 0.304 20 0 JCADMO COCCn1c(N)c(C(=O)C[NH2+][C@](C)(CO)c2cccc(Br)c2)c(=O)[nH]c1=O ZINC001198499544 1069746861 /nfs/dbraw/zinc/74/68/61/1069746861.db2.gz YMBRMFZTXRMEGN-GOSISDBHSA-N 1 1 455.309 0.620 20 0 JCADMO COCCn1c(N)c(C(=O)C[NH2+][C@@](C)(CO)c2cccc(Br)c2)c(=O)[nH]c1=O ZINC001198499546 1069746911 /nfs/dbraw/zinc/74/69/11/1069746911.db2.gz YMBRMFZTXRMEGN-SFHVURJKSA-N 1 1 455.309 0.620 20 0 JCADMO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)c2cncn2-c2ccncc2)c2nonc21 ZINC001198556815 1069754563 /nfs/dbraw/zinc/75/45/63/1069754563.db2.gz FGWTYEKKJOGFPD-UHFFFAOYSA-N 1 1 456.488 0.659 20 0 JCADMO C[C@@H](CNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)CN1CC[NH+](C)CC1 ZINC001198559822 1069751312 /nfs/dbraw/zinc/75/13/12/1069751312.db2.gz FNKVNZASKCMJJV-INIZCTEOSA-N 1 1 457.572 0.852 20 0 JCADMO C[C@H](CNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)CN1CC[NH+](C)CC1 ZINC001198559823 1069751456 /nfs/dbraw/zinc/75/14/56/1069751456.db2.gz FNKVNZASKCMJJV-MRXNPFEDSA-N 1 1 457.572 0.852 20 0 JCADMO C[NH+]1CCN(CCCCNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001198560936 1069751418 /nfs/dbraw/zinc/75/14/18/1069751418.db2.gz VZQRKNBVBRKLLO-UHFFFAOYSA-N 1 1 457.572 0.996 20 0 JCADMO O=C(NCC[N@H+]1CCC2(C1)OCCO2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001198565811 1069751992 /nfs/dbraw/zinc/75/19/92/1069751992.db2.gz ALSWNTGGTJRQJB-UHFFFAOYSA-N 1 1 458.512 0.417 20 0 JCADMO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001198565811 1069751971 /nfs/dbraw/zinc/75/19/71/1069751971.db2.gz ALSWNTGGTJRQJB-UHFFFAOYSA-N 1 1 458.512 0.417 20 0 JCADMO C[N@H+]1CCN(CCNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1(C)C ZINC001198568158 1069752110 /nfs/dbraw/zinc/75/21/10/1069752110.db2.gz QCQYAAIVVXBSJG-UHFFFAOYSA-N 1 1 457.572 0.994 20 0 JCADMO COc1nc(Cl)ccc1S(=O)(=O)N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001198670679 1069760681 /nfs/dbraw/zinc/76/06/81/1069760681.db2.gz JHIFPLAVENUJJO-UHFFFAOYSA-N 1 1 460.984 0.935 20 0 JCADMO COc1nc(Cl)ccc1S(=O)(=O)N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001198670679 1069760661 /nfs/dbraw/zinc/76/06/61/1069760661.db2.gz JHIFPLAVENUJJO-UHFFFAOYSA-N 1 1 460.984 0.935 20 0 JCADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001198751651 1069765047 /nfs/dbraw/zinc/76/50/47/1069765047.db2.gz FCXCSGOVDBALBF-DLBZAZTESA-N 1 1 452.577 0.500 20 0 JCADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001198751651 1069765033 /nfs/dbraw/zinc/76/50/33/1069765033.db2.gz FCXCSGOVDBALBF-DLBZAZTESA-N 1 1 452.577 0.500 20 0 JCADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001198751653 1069764966 /nfs/dbraw/zinc/76/49/66/1069764966.db2.gz FCXCSGOVDBALBF-IAGOWNOFSA-N 1 1 452.577 0.500 20 0 JCADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001198751653 1069764947 /nfs/dbraw/zinc/76/49/47/1069764947.db2.gz FCXCSGOVDBALBF-IAGOWNOFSA-N 1 1 452.577 0.500 20 0 JCADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001198751655 1069765867 /nfs/dbraw/zinc/76/58/67/1069765867.db2.gz FCXCSGOVDBALBF-IRXDYDNUSA-N 1 1 452.577 0.500 20 0 JCADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001198751655 1069765857 /nfs/dbraw/zinc/76/58/57/1069765857.db2.gz FCXCSGOVDBALBF-IRXDYDNUSA-N 1 1 452.577 0.500 20 0 JCADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001198751657 1069765964 /nfs/dbraw/zinc/76/59/64/1069765964.db2.gz FCXCSGOVDBALBF-SJORKVTESA-N 1 1 452.577 0.500 20 0 JCADMO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001198751657 1069765950 /nfs/dbraw/zinc/76/59/50/1069765950.db2.gz FCXCSGOVDBALBF-SJORKVTESA-N 1 1 452.577 0.500 20 0 JCADMO O=C(C[N@H+]1C[C@@H](CO)[C@H](CCO)C1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001198755420 1069765926 /nfs/dbraw/zinc/76/59/26/1069765926.db2.gz YQQPKDBHISTDRJ-MOPGFXCFSA-N 1 1 451.589 0.673 20 0 JCADMO O=C(C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001198755420 1069765909 /nfs/dbraw/zinc/76/59/09/1069765909.db2.gz YQQPKDBHISTDRJ-MOPGFXCFSA-N 1 1 451.589 0.673 20 0 JCADMO O=C(C[N@@H+]1C[C@H](CCO)[C@H](CO)C1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001198755422 1069766068 /nfs/dbraw/zinc/76/60/68/1069766068.db2.gz YQQPKDBHISTDRJ-OALUTQOASA-N 1 1 451.589 0.673 20 0 JCADMO O=C(C[N@H+]1C[C@H](CCO)[C@H](CO)C1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001198755422 1069766057 /nfs/dbraw/zinc/76/60/57/1069766057.db2.gz YQQPKDBHISTDRJ-OALUTQOASA-N 1 1 451.589 0.673 20 0 JCADMO O=C(C[N@H+]1C[C@H](CO)[C@@H](CCO)C1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001198755425 1069766039 /nfs/dbraw/zinc/76/60/39/1069766039.db2.gz YQQPKDBHISTDRJ-RBUKOAKNSA-N 1 1 451.589 0.673 20 0 JCADMO O=C(C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001198755425 1069766028 /nfs/dbraw/zinc/76/60/28/1069766028.db2.gz YQQPKDBHISTDRJ-RBUKOAKNSA-N 1 1 451.589 0.673 20 0 JCADMO O=C(C[N@H+]1C[C@H](CO)[C@H](CCO)C1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001198755427 1069766010 /nfs/dbraw/zinc/76/60/10/1069766010.db2.gz YQQPKDBHISTDRJ-RTBURBONSA-N 1 1 451.589 0.673 20 0 JCADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](CCO)C1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001198755427 1069765995 /nfs/dbraw/zinc/76/59/95/1069765995.db2.gz YQQPKDBHISTDRJ-RTBURBONSA-N 1 1 451.589 0.673 20 0 JCADMO CC[N@@H+](C)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC001198881444 1069772885 /nfs/dbraw/zinc/77/28/85/1069772885.db2.gz FWGCXGWUEIHDEC-KRWDZBQOSA-N 1 1 454.593 0.563 20 0 JCADMO CC[N@@H+](C)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC001198881445 1069772983 /nfs/dbraw/zinc/77/29/83/1069772983.db2.gz FWGCXGWUEIHDEC-QGZVFWFLSA-N 1 1 454.593 0.563 20 0 JCADMO 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/nfs/dbraw/zinc/92/65/47/1069926547.db2.gz MPKMBOJUILYLPV-UZUQRXQVSA-N 1 1 495.625 0.616 20 0 JCADMO CNC(=O)CCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001299192798 1069926634 /nfs/dbraw/zinc/92/66/34/1069926634.db2.gz PJKRECIVSRMQRA-KRWDZBQOSA-N 1 1 469.656 0.169 20 0 JCADMO CNC(=O)CCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001299192799 1069926419 /nfs/dbraw/zinc/92/64/19/1069926419.db2.gz PJKRECIVSRMQRA-QGZVFWFLSA-N 1 1 469.656 0.169 20 0 JCADMO CNC(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001299198673 1069946224 /nfs/dbraw/zinc/94/62/24/1069946224.db2.gz HAKKMSLZAOXVHG-UHFFFAOYSA-N 1 1 483.621 0.694 20 0 JCADMO CNC(=O)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001299201558 1070014759 /nfs/dbraw/zinc/01/47/59/1070014759.db2.gz CNMJOMXXZIQQNI-UHFFFAOYSA-N 1 1 481.399 0.772 20 0 JCADMO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC001299203686 1070066073 /nfs/dbraw/zinc/06/60/73/1070066073.db2.gz QVPJHTMOYNIWOF-IFMALSPDSA-N 1 1 450.605 0.912 20 0 JCADMO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC001299203687 1070066146 /nfs/dbraw/zinc/06/61/46/1070066146.db2.gz QVPJHTMOYNIWOF-IRLDBZIGSA-N 1 1 450.605 0.912 20 0 JCADMO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC001299203688 1070066186 /nfs/dbraw/zinc/06/61/86/1070066186.db2.gz QVPJHTMOYNIWOF-RBBKRZOGSA-N 1 1 450.605 0.912 20 0 JCADMO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC001299203689 1070065915 /nfs/dbraw/zinc/06/59/15/1070065915.db2.gz QVPJHTMOYNIWOF-UNMCSNQZSA-N 1 1 450.605 0.912 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299205060 1070087003 /nfs/dbraw/zinc/08/70/03/1070087003.db2.gz SRHQGAGGPPSQOR-OWCLPIDISA-N 1 1 473.644 0.348 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299205062 1070086662 /nfs/dbraw/zinc/08/66/62/1070086662.db2.gz SRHQGAGGPPSQOR-XHSDSOJGSA-N 1 1 473.644 0.348 20 0 JCADMO CNC(=O)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001299209396 1070344264 /nfs/dbraw/zinc/34/42/64/1070344264.db2.gz AKSMSQOBHGZDJV-UHFFFAOYSA-N 1 1 457.535 0.410 20 0 JCADMO CNC(=O)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[NH+]1CCOCC1 ZINC001299216376 1067754609 /nfs/dbraw/zinc/75/46/09/1067754609.db2.gz BEJZULZSQJNPPX-UHFFFAOYSA-N 1 1 471.610 0.747 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001299219488 1067975915 /nfs/dbraw/zinc/97/59/15/1067975915.db2.gz HNEKMFHLQSUEEQ-AOMKIAJQSA-N 1 1 481.598 0.225 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001299219489 1067976026 /nfs/dbraw/zinc/97/60/26/1067976026.db2.gz HNEKMFHLQSUEEQ-KSFYIVLOSA-N 1 1 481.598 0.225 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001299219491 1067976100 /nfs/dbraw/zinc/97/61/00/1067976100.db2.gz HNEKMFHLQSUEEQ-OPAMFIHVSA-N 1 1 481.598 0.225 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001299219493 1067975987 /nfs/dbraw/zinc/97/59/87/1067975987.db2.gz HNEKMFHLQSUEEQ-ZHRRBRCNSA-N 1 1 481.598 0.225 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001299221065 1068031062 /nfs/dbraw/zinc/03/10/62/1068031062.db2.gz NSQBAUCJGVIDKB-MSOLQXFVSA-N 1 1 499.682 0.694 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001299221067 1068031117 /nfs/dbraw/zinc/03/11/17/1068031117.db2.gz NSQBAUCJGVIDKB-QZTJIDSGSA-N 1 1 499.682 0.694 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001299221068 1068030975 /nfs/dbraw/zinc/03/09/75/1068030975.db2.gz NSQBAUCJGVIDKB-ROUUACIJSA-N 1 1 499.682 0.694 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001299221069 1068030939 /nfs/dbraw/zinc/03/09/39/1068030939.db2.gz NSQBAUCJGVIDKB-ZWKOTPCHSA-N 1 1 499.682 0.694 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001299221127 1068038159 /nfs/dbraw/zinc/03/81/59/1068038159.db2.gz PFVZMEURDXLYDS-DLBZAZTESA-N 1 1 485.655 0.304 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001299221128 1068038494 /nfs/dbraw/zinc/03/84/94/1068038494.db2.gz PFVZMEURDXLYDS-IAGOWNOFSA-N 1 1 485.655 0.304 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001299221129 1068039289 /nfs/dbraw/zinc/03/92/89/1068039289.db2.gz PFVZMEURDXLYDS-IRXDYDNUSA-N 1 1 485.655 0.304 20 0 JCADMO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001299221130 1068039919 /nfs/dbraw/zinc/03/99/19/1068039919.db2.gz PFVZMEURDXLYDS-SJORKVTESA-N 1 1 485.655 0.304 20 0 JCADMO CNC(=O)CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001299224333 1068292080 /nfs/dbraw/zinc/29/20/80/1068292080.db2.gz LWVXMJAGQRVYBX-FQEVSTJZSA-N 1 1 469.590 0.588 20 0 JCADMO CNC(=O)CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001299224335 1068292024 /nfs/dbraw/zinc/29/20/24/1068292024.db2.gz LWVXMJAGQRVYBX-HXUWFJFHSA-N 1 1 469.590 0.588 20 0 JCADMO CNC(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001299224991 1068627246 /nfs/dbraw/zinc/62/72/46/1068627246.db2.gz VVNOCWFWHGIIMS-NRFANRHFSA-N 1 1 465.624 0.181 20 0 JCADMO CNC(=O)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001299224992 1068627218 /nfs/dbraw/zinc/62/72/18/1068627218.db2.gz VVNOCWFWHGIIMS-OAQYLSRUSA-N 1 1 465.624 0.181 20 0 JCADMO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001299226199 1069036716 /nfs/dbraw/zinc/03/67/16/1069036716.db2.gz FGUGISMSELTFBI-IBGZPJMESA-N 1 1 485.589 0.212 20 0 JCADMO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001299226202 1069040799 /nfs/dbraw/zinc/04/07/99/1069040799.db2.gz FGUGISMSELTFBI-LJQANCHMSA-N 1 1 485.589 0.212 20 0 JCADMO CNC(=O)CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOCC1(C)C ZINC001299226876 1069151082 /nfs/dbraw/zinc/15/10/82/1069151082.db2.gz QKVTXULCURKINM-UHFFFAOYSA-N 1 1 463.608 0.953 20 0 JCADMO CNC(=O)CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOCC1(C)C ZINC001299226876 1069151075 /nfs/dbraw/zinc/15/10/75/1069151075.db2.gz QKVTXULCURKINM-UHFFFAOYSA-N 1 1 463.608 0.953 20 0 JCADMO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299227318 1069202368 /nfs/dbraw/zinc/20/23/68/1069202368.db2.gz QBCBQPUJSWJETG-KDURUIRLSA-N 1 1 460.627 0.645 20 0 JCADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001299232353 1069243998 /nfs/dbraw/zinc/24/39/98/1069243998.db2.gz LKGNVLMXBRVCTA-CABCVRRESA-N 1 1 469.637 0.969 20 0 JCADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001299232354 1069243701 /nfs/dbraw/zinc/24/37/01/1069243701.db2.gz LKGNVLMXBRVCTA-GJZGRUSLSA-N 1 1 469.637 0.969 20 0 JCADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001299232355 1069243955 /nfs/dbraw/zinc/24/39/55/1069243955.db2.gz LKGNVLMXBRVCTA-HUUCEWRRSA-N 1 1 469.637 0.969 20 0 JCADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001299232356 1069243736 /nfs/dbraw/zinc/24/37/36/1069243736.db2.gz LKGNVLMXBRVCTA-LSDHHAIUSA-N 1 1 469.637 0.969 20 0 JCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001299233721 1069244965 /nfs/dbraw/zinc/24/49/65/1069244965.db2.gz WADHMOJCSGRZOS-QGZVFWFLSA-N 1 1 456.551 0.610 20 0 JCADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001299234051 1069244942 /nfs/dbraw/zinc/24/49/42/1069244942.db2.gz YHOXOZWSDUBOEY-HNNXBMFYSA-N 1 1 478.623 0.941 20 0 JCADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001299234053 1069245114 /nfs/dbraw/zinc/24/51/14/1069245114.db2.gz YHOXOZWSDUBOEY-OAHLLOKOSA-N 1 1 478.623 0.941 20 0 JCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001299234318 1069245596 /nfs/dbraw/zinc/24/55/96/1069245596.db2.gz ZZYBTDBODJPLJR-HKUYNNGSSA-N 1 1 497.604 0.440 20 0 JCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001299234319 1069245520 /nfs/dbraw/zinc/24/55/20/1069245520.db2.gz ZZYBTDBODJPLJR-IEBWSBKVSA-N 1 1 497.604 0.440 20 0 JCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001299234320 1069245487 /nfs/dbraw/zinc/24/54/87/1069245487.db2.gz ZZYBTDBODJPLJR-MJGOQNOKSA-N 1 1 497.604 0.440 20 0 JCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001299234321 1069245408 /nfs/dbraw/zinc/24/54/08/1069245408.db2.gz ZZYBTDBODJPLJR-PKOBYXMFSA-N 1 1 497.604 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CNS(=O)(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCOC)CC2)c1 ZINC001299290714 1069557664 /nfs/dbraw/zinc/55/76/64/1069557664.db2.gz MJCHBPKAPWUWFX-UHFFFAOYSA-N 1 1 491.618 0.239 20 0 JCADMO CNS(=O)(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC001299294255 1069563155 /nfs/dbraw/zinc/56/31/55/1069563155.db2.gz VAKCZOQJKRVHNC-KRWDZBQOSA-N 1 1 486.602 0.848 20 0 JCADMO CNS(=O)(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC001299294260 1069563746 /nfs/dbraw/zinc/56/37/46/1069563746.db2.gz VAKCZOQJKRVHNC-QGZVFWFLSA-N 1 1 486.602 0.848 20 0 JCADMO CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC001299294386 1069565631 /nfs/dbraw/zinc/56/56/31/1069565631.db2.gz WWRVSNSIMYLNQT-APWZRJJASA-N 1 1 491.618 0.343 20 0 JCADMO CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC001299294387 1069565828 /nfs/dbraw/zinc/56/58/28/1069565828.db2.gz WWRVSNSIMYLNQT-LPHOPBHVSA-N 1 1 491.618 0.343 20 0 JCADMO CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC001299294388 1069565757 /nfs/dbraw/zinc/56/57/57/1069565757.db2.gz WWRVSNSIMYLNQT-QFBILLFUSA-N 1 1 491.618 0.343 20 0 JCADMO CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC001299294389 1069565694 /nfs/dbraw/zinc/56/56/94/1069565694.db2.gz WWRVSNSIMYLNQT-VQIMIIECSA-N 1 1 491.618 0.343 20 0 JCADMO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001299295345 1069582704 /nfs/dbraw/zinc/58/27/04/1069582704.db2.gz FCFAXKZIBGZNPU-UHFFFAOYSA-N 1 1 491.618 0.394 20 0 JCADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001299295746 1069587526 /nfs/dbraw/zinc/58/75/26/1069587526.db2.gz JNDMMFCRFSWAIQ-GOSISDBHSA-N 1 1 493.634 0.853 20 0 JCADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001299295746 1069587522 /nfs/dbraw/zinc/58/75/22/1069587522.db2.gz JNDMMFCRFSWAIQ-GOSISDBHSA-N 1 1 493.634 0.853 20 0 JCADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001299295748 1069588042 /nfs/dbraw/zinc/58/80/42/1069588042.db2.gz JNDMMFCRFSWAIQ-SFHVURJKSA-N 1 1 493.634 0.853 20 0 JCADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001299295748 1069588032 /nfs/dbraw/zinc/58/80/32/1069588032.db2.gz JNDMMFCRFSWAIQ-SFHVURJKSA-N 1 1 493.634 0.853 20 0 JCADMO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001299296419 1069593656 /nfs/dbraw/zinc/59/36/56/1069593656.db2.gz NUGQBJPNGGQADS-UHFFFAOYSA-N 1 1 478.623 0.882 20 0 JCADMO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001299297811 1069611022 /nfs/dbraw/zinc/61/10/22/1069611022.db2.gz YFNWCVHFDXSBEW-GOSISDBHSA-N 1 1 463.608 0.676 20 0 JCADMO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001299297813 1069611451 /nfs/dbraw/zinc/61/14/51/1069611451.db2.gz YFNWCVHFDXSBEW-SFHVURJKSA-N 1 1 463.608 0.676 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001299298061 1069611531 /nfs/dbraw/zinc/61/15/31/1069611531.db2.gz VXNWVAARTGNGCW-UHFFFAOYSA-N 1 1 476.401 0.353 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001299305373 1069841485 /nfs/dbraw/zinc/84/14/85/1069841485.db2.gz GATLXVGMJLBPDX-QGZVFWFLSA-N 1 1 458.592 0.939 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299305920 1069842542 /nfs/dbraw/zinc/84/25/42/1069842542.db2.gz JOQVLSFOIZJUIR-HDICACEKSA-N 1 1 464.640 0.817 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299306029 1069842801 /nfs/dbraw/zinc/84/28/01/1069842801.db2.gz KRFOOWWXUSMSRP-HDICACEKSA-N 1 1 477.639 0.279 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001299306100 1069842886 /nfs/dbraw/zinc/84/28/86/1069842886.db2.gz LSPJQHCFPMVQKA-GOSISDBHSA-N 1 1 488.618 0.837 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001299306101 1069842441 /nfs/dbraw/zinc/84/24/41/1069842441.db2.gz LSPJQHCFPMVQKA-SFHVURJKSA-N 1 1 488.618 0.837 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001299306120 1069842624 /nfs/dbraw/zinc/84/26/24/1069842624.db2.gz MGHDMONKGMQEIE-FQEVSTJZSA-N 1 1 492.650 0.121 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001299306121 1069842314 /nfs/dbraw/zinc/84/23/14/1069842314.db2.gz MGHDMONKGMQEIE-HXUWFJFHSA-N 1 1 492.650 0.121 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001299308606 1069844173 /nfs/dbraw/zinc/84/41/73/1069844173.db2.gz SNRMSJVWVZHGRN-JXFKEZNVSA-N 1 1 493.609 0.622 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001299308607 1069843976 /nfs/dbraw/zinc/84/39/76/1069843976.db2.gz SNRMSJVWVZHGRN-OXJNMPFZSA-N 1 1 493.609 0.622 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001299308608 1069843928 /nfs/dbraw/zinc/84/39/28/1069843928.db2.gz SNRMSJVWVZHGRN-OXQOHEQNSA-N 1 1 493.609 0.622 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001299308610 1069844088 /nfs/dbraw/zinc/84/40/88/1069844088.db2.gz SNRMSJVWVZHGRN-UZLBHIALSA-N 1 1 493.609 0.622 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299308870 1069844356 /nfs/dbraw/zinc/84/43/56/1069844356.db2.gz USYLIXJTVAOUTD-KDURUIRLSA-N 1 1 476.651 0.884 20 0 JCADMO CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001299309308 1069845674 /nfs/dbraw/zinc/84/56/74/1069845674.db2.gz XSKDLKOTZSLIIG-INIZCTEOSA-N 1 1 451.597 0.522 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001299310846 1069849140 /nfs/dbraw/zinc/84/91/40/1069849140.db2.gz DFLWNXKHEMROJM-KRWDZBQOSA-N 1 1 458.629 0.864 20 0 JCADMO CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001299310848 1069849259 /nfs/dbraw/zinc/84/92/59/1069849259.db2.gz DFLWNXKHEMROJM-QGZVFWFLSA-N 1 1 458.629 0.864 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001299311799 1069850317 /nfs/dbraw/zinc/85/03/17/1069850317.db2.gz LSIXFUVKZUIGFB-AEFFLSMTSA-N 1 1 461.592 0.489 20 0 JCADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001299311800 1069849980 /nfs/dbraw/zinc/84/99/80/1069849980.db2.gz LSIXFUVKZUIGFB-SJLPKXTDSA-N 1 1 461.592 0.489 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001299311963 1069850280 /nfs/dbraw/zinc/85/02/80/1069850280.db2.gz MKPMZGVOZXLMKH-PMACEKPBSA-N 1 1 478.619 0.925 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001299311964 1069850040 /nfs/dbraw/zinc/85/00/40/1069850040.db2.gz MKPMZGVOZXLMKH-UXHICEINSA-N 1 1 478.619 0.925 20 0 JCADMO CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001299311965 1069849873 /nfs/dbraw/zinc/84/98/73/1069849873.db2.gz MKPMZGVOZXLMKH-VQTJNVASSA-N 1 1 478.619 0.925 20 0 JCADMO CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001299311966 1069850380 /nfs/dbraw/zinc/85/03/80/1069850380.db2.gz MKPMZGVOZXLMKH-WOJBJXKFSA-N 1 1 478.619 0.925 20 0 JCADMO CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001299312085 1069851059 /nfs/dbraw/zinc/85/10/59/1069851059.db2.gz NRJGLVALJKIQHR-KRWDZBQOSA-N 1 1 453.613 0.228 20 0 JCADMO CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001299312086 1069850759 /nfs/dbraw/zinc/85/07/59/1069850759.db2.gz NRJGLVALJKIQHR-QGZVFWFLSA-N 1 1 453.613 0.228 20 0 JCADMO CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001299312544 1069845316 /nfs/dbraw/zinc/84/53/16/1069845316.db2.gz QMPXQOWBRXAXQK-GOSISDBHSA-N 1 1 466.612 0.515 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001299312545 1069845744 /nfs/dbraw/zinc/84/57/44/1069845744.db2.gz QMPXQOWBRXAXQK-SFHVURJKSA-N 1 1 466.612 0.515 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001299312731 1069846288 /nfs/dbraw/zinc/84/62/88/1069846288.db2.gz STNWQSXNQXYSGR-MOPGFXCFSA-N 1 1 475.619 0.879 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001299312732 1069846162 /nfs/dbraw/zinc/84/61/62/1069846162.db2.gz STNWQSXNQXYSGR-OALUTQOASA-N 1 1 475.619 0.879 20 0 JCADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001299312733 1069846637 /nfs/dbraw/zinc/84/66/37/1069846637.db2.gz STNWQSXNQXYSGR-RBUKOAKNSA-N 1 1 475.619 0.879 20 0 JCADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001299312734 1069846197 /nfs/dbraw/zinc/84/61/97/1069846197.db2.gz STNWQSXNQXYSGR-RTBURBONSA-N 1 1 475.619 0.879 20 0 JCADMO 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CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001299314187 1069852732 /nfs/dbraw/zinc/85/27/32/1069852732.db2.gz ZEFBVDCGWFIKHQ-INIZCTEOSA-N 1 1 454.572 0.714 20 0 JCADMO CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001299314188 1069852643 /nfs/dbraw/zinc/85/26/43/1069852643.db2.gz ZEFBVDCGWFIKHQ-MRXNPFEDSA-N 1 1 454.572 0.714 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001299314260 1069852824 /nfs/dbraw/zinc/85/28/24/1069852824.db2.gz BLZCXPBAULCONE-FQEVSTJZSA-N 1 1 494.618 0.887 20 0 JCADMO CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001299314261 1069852891 /nfs/dbraw/zinc/85/28/91/1069852891.db2.gz BLZCXPBAULCONE-HXUWFJFHSA-N 1 1 494.618 0.887 20 0 JCADMO CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001299314791 1069854762 /nfs/dbraw/zinc/85/47/62/1069854762.db2.gz NMASTIBLGOUVMF-HSALFYBXSA-N 1 1 483.683 0.716 20 0 JCADMO 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NS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001687426896 1070026162 /nfs/dbraw/zinc/02/61/62/1070026162.db2.gz RQMRWGYHYPELEN-GOSISDBHSA-N 1 1 451.593 0.198 20 0 JCADMO NS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001687426897 1070026299 /nfs/dbraw/zinc/02/62/99/1070026299.db2.gz RQMRWGYHYPELEN-SFHVURJKSA-N 1 1 451.593 0.198 20 0 JCADMO CCc1noc(C[C@@]2(O)CCCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)n1 ZINC001687426906 1070025946 /nfs/dbraw/zinc/02/59/46/1070025946.db2.gz RYILFKPSXGVDFV-AVRDEDQJSA-N 1 1 450.584 0.508 20 0 JCADMO CCc1noc(C[C@@]2(O)CCCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)n1 ZINC001687426907 1070025837 /nfs/dbraw/zinc/02/58/37/1070025837.db2.gz RYILFKPSXGVDFV-GCJKJVERSA-N 1 1 450.584 0.508 20 0 JCADMO CCc1noc(C[C@]2(O)CCCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)n1 ZINC001687426908 1070025786 /nfs/dbraw/zinc/02/57/86/1070025786.db2.gz RYILFKPSXGVDFV-PGRDOPGGSA-N 1 1 450.584 0.508 20 0 JCADMO CCc1noc(C[C@]2(O)CCCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)n1 ZINC001687426909 1070026113 /nfs/dbraw/zinc/02/61/13/1070026113.db2.gz RYILFKPSXGVDFV-XMSQKQJNSA-N 1 1 450.584 0.508 20 0 JCADMO O=C(CN1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1)N1CCCCC1 ZINC001687427154 1070026348 /nfs/dbraw/zinc/02/63/48/1070026348.db2.gz WGYSRTDUKQOBNM-NRFANRHFSA-N 1 1 450.628 0.123 20 0 JCADMO O=C(CN1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1)N1CCCCC1 ZINC001687427155 1070026065 /nfs/dbraw/zinc/02/60/65/1070026065.db2.gz WGYSRTDUKQOBNM-OAQYLSRUSA-N 1 1 450.628 0.123 20 0 JCADMO Cn1ccn2c(CCNC(=O)NCC3([N@@H+](C)Cc4ccccc4)CCOCC3)nnc2c1=O ZINC001687548455 1070447115 /nfs/dbraw/zinc/44/71/15/1070447115.db2.gz AMFKELWSDUEBKK-UHFFFAOYSA-N 1 1 453.547 0.951 20 0 JCADMO CC(C)N1CC[NH+](C2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)CC1 ZINC001687565011 1071016780 /nfs/dbraw/zinc/01/67/80/1071016780.db2.gz DRAPWCIKEMPBHR-UHFFFAOYSA-N 1 1 458.607 0.619 20 0 JCADMO 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