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496.609 -1.801 20 0 JAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCC(=O)N(C)C)c(N)nc2=O ZINC001143055838 1067097414 /nfs/dbraw/zinc/09/74/14/1067097414.db2.gz IHAQNGMKMKSFOX-SWLSCSKDSA-N 1 0 481.510 -1.455 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCC(=O)N(C)C)c(N)nc2=O ZINC001143055849 1067097367 /nfs/dbraw/zinc/09/73/67/1067097367.db2.gz IHAQNGMKMKSFOX-WFASDCNBSA-N 1 0 481.510 -1.455 20 0 JAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CCC(=O)N1)c(N)nc2=O ZINC001143129032 1067274340 /nfs/dbraw/zinc/27/43/40/1067274340.db2.gz MWOYOOFPOHQQGU-DMDPSCGWSA-N 1 0 465.467 -2.045 20 0 JAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC(=O)N1)c(N)nc2=O ZINC001143129035 1067274244 /nfs/dbraw/zinc/27/42/44/1067274244.db2.gz MWOYOOFPOHQQGU-GMXVVIOVSA-N 1 0 465.467 -2.045 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC(=O)N1)c(N)nc2=O ZINC001143129044 1067274468 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1 0 453.540 -1.054 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)CN(C)C(N)=[NH2+])cc1 ZINC001144141281 1067121581 /nfs/dbraw/zinc/12/15/81/1067121581.db2.gz CUNAQZNSUPSJES-BNEJOLLZSA-N 1 0 474.474 -1.317 20 0 JAADRO CC(=O)O[C@@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144162068 1067121306 /nfs/dbraw/zinc/12/13/06/1067121306.db2.gz RLSZISMYVCTSQS-DRZSPHRISA-N 1 0 468.467 -1.372 20 0 JAADRO CC(=O)O[C@@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144162069 1067121468 /nfs/dbraw/zinc/12/14/68/1067121468.db2.gz RLSZISMYVCTSQS-WCFLWFBJSA-N 1 0 468.467 -1.372 20 0 JAADRO CC(=O)N1CCC[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144319786 1067121489 /nfs/dbraw/zinc/12/14/89/1067121489.db2.gz HOVJYOYRCCEQOE-KKUMJFAQSA-N 1 0 493.521 -1.312 20 0 JAADRO CC(=O)N1CCC[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001144319787 1067121294 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BVKRLFJMEPESCS-WJFTUGDTSA-N 1 0 451.520 -1.445 20 0 JAADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144893075 1067133790 /nfs/dbraw/zinc/13/37/90/1067133790.db2.gz BVKRLFJMEPESCS-ZSYWTGECSA-N 1 0 451.520 -1.445 20 0 JAADRO O=C(C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896200 1067125719 /nfs/dbraw/zinc/12/57/19/1067125719.db2.gz QGYQEVAMUDNDQI-FXDCAWNPSA-N 1 0 477.558 -1.197 20 0 JAADRO O=C(C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896201 1067125627 /nfs/dbraw/zinc/12/56/27/1067125627.db2.gz QGYQEVAMUDNDQI-GUJLLPCUSA-N 1 0 477.558 -1.197 20 0 JAADRO O=C(C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896202 1067125659 /nfs/dbraw/zinc/12/56/59/1067125659.db2.gz QGYQEVAMUDNDQI-RSBOXOOMSA-N 1 0 477.558 -1.197 20 0 JAADRO O=C(C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896203 1067125769 /nfs/dbraw/zinc/12/57/69/1067125769.db2.gz QGYQEVAMUDNDQI-XFJGJFDASA-N 1 0 477.558 -1.197 20 0 JAADRO CC(C)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001144896610 1067125572 /nfs/dbraw/zinc/12/55/72/1067125572.db2.gz SJTKYHGAMUQCMC-HSALFYBXSA-N 1 0 492.573 -1.361 20 0 JAADRO CC(C)CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001144896611 1067125734 /nfs/dbraw/zinc/12/57/34/1067125734.db2.gz SJTKYHGAMUQCMC-SLFFLAALSA-N 1 0 492.573 -1.361 20 0 JAADRO CC(C)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001144896612 1067126610 /nfs/dbraw/zinc/12/66/10/1067126610.db2.gz SJTKYHGAMUQCMC-VAMGGRTRSA-N 1 0 492.573 -1.361 20 0 JAADRO CC(C)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001144896613 1067126446 /nfs/dbraw/zinc/12/64/46/1067126446.db2.gz SJTKYHGAMUQCMC-XUVXKRRUSA-N 1 0 492.573 -1.361 20 0 JAADRO CC(C)n1nc(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c2nccs2)c2c1C[NH2+]CC2 ZINC001144897108 1067126366 /nfs/dbraw/zinc/12/63/66/1067126366.db2.gz WEXXBCXWGOEYRI-ARFHVFGLSA-N 1 0 453.521 -1.257 20 0 JAADRO CC(C)n1nc(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c2nccs2)c2c1C[NH2+]CC2 ZINC001144897109 1067126536 /nfs/dbraw/zinc/12/65/36/1067126536.db2.gz WEXXBCXWGOEYRI-BZUAXINKSA-N 1 0 453.521 -1.257 20 0 JAADRO CC(C)n1nc(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c2nccs2)c2c1C[NH2+]CC2 ZINC001144897110 1067126500 /nfs/dbraw/zinc/12/65/00/1067126500.db2.gz WEXXBCXWGOEYRI-HRCADAONSA-N 1 0 453.521 -1.257 20 0 JAADRO CC(C)n1nc(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2nccs2)c2c1C[NH2+]CC2 ZINC001144897111 1067126383 /nfs/dbraw/zinc/12/63/83/1067126383.db2.gz WEXXBCXWGOEYRI-OWCLPIDISA-N 1 0 453.521 -1.257 20 0 JAADRO O=C(C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144897152 1067127303 /nfs/dbraw/zinc/12/73/03/1067127303.db2.gz WYKQWQRYNBYHPE-QBPKDAKJSA-N 1 0 456.517 -1.620 20 0 JAADRO O=C(C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144897153 1067127213 /nfs/dbraw/zinc/12/72/13/1067127213.db2.gz WYKQWQRYNBYHPE-VVLHAWIVSA-N 1 0 456.517 -1.620 20 0 JAADRO O=C(C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144897154 1067127229 /nfs/dbraw/zinc/12/72/29/1067127229.db2.gz WYKQWQRYNBYHPE-WCXIOVBPSA-N 1 0 456.517 -1.620 20 0 JAADRO O=C(C(=O)N([C@@H]1CCC12CC[NH2+]CC2)S(=O)(=O)c1ccccc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144897155 1067127302 /nfs/dbraw/zinc/12/73/02/1067127302.db2.gz WYKQWQRYNBYHPE-YLFCFFPRSA-N 1 0 456.517 -1.620 20 0 JAADRO COc1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1OCCCN1CC[NH+](C)CC1 ZINC001144901230 1067129640 /nfs/dbraw/zinc/12/96/40/1067129640.db2.gz AESRGGXYVHWLFG-ATZDWAIDSA-N 1 0 455.508 -1.706 20 0 JAADRO COc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1OCCCN1CC[NH+](C)CC1 ZINC001144901231 1067129801 /nfs/dbraw/zinc/12/98/01/1067129801.db2.gz AESRGGXYVHWLFG-AYOQOUSVSA-N 1 0 455.508 -1.706 20 0 JAADRO COc1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1OCCCN1CC[NH+](C)CC1 ZINC001144901232 1067130379 /nfs/dbraw/zinc/13/03/79/1067130379.db2.gz AESRGGXYVHWLFG-KFKAGJAMSA-N 1 0 455.508 -1.706 20 0 JAADRO COc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1OCCCN1CC[NH+](C)CC1 ZINC001144901233 1067130527 /nfs/dbraw/zinc/13/05/27/1067130527.db2.gz AESRGGXYVHWLFG-ZYSHUDEJSA-N 1 0 455.508 -1.706 20 0 JAADRO CC(C)(C)OC(=O)N1CCC([NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)CC1 ZINC001144901527 1067130415 /nfs/dbraw/zinc/13/04/15/1067130415.db2.gz DRIPXHWURAPFEJ-BRWVUGGUSA-N 1 0 459.540 -1.389 20 0 JAADRO CC(C)(C)OC(=O)N1CCC([NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)CC1 ZINC001144901531 1067130458 /nfs/dbraw/zinc/13/04/58/1067130458.db2.gz DRIPXHWURAPFEJ-GVDBMIGSSA-N 1 0 459.540 -1.389 20 0 JAADRO CC(C)(C)OC(=O)N1CCC([NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)CC1 ZINC001144901533 1067130341 /nfs/dbraw/zinc/13/03/41/1067130341.db2.gz DRIPXHWURAPFEJ-IXDOHACOSA-N 1 0 459.540 -1.389 20 0 JAADRO CC(C)(C)OC(=O)N1CCC([NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)CC1 ZINC001144901535 1067130471 /nfs/dbraw/zinc/13/04/71/1067130471.db2.gz DRIPXHWURAPFEJ-YESZJQIVSA-N 1 0 459.540 -1.389 20 0 JAADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc(c32)C1=O ZINC001144902383 1067130310 /nfs/dbraw/zinc/13/03/10/1067130310.db2.gz HHKZPOWVLFLRCR-BPQIPLTHSA-N 1 0 459.455 -1.420 20 0 JAADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc(c32)C1=O ZINC001144902392 1067130516 /nfs/dbraw/zinc/13/05/16/1067130516.db2.gz HHKZPOWVLFLRCR-CGTJXYLNSA-N 1 0 459.455 -1.420 20 0 JAADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc(c32)C1=O ZINC001144902395 1067130502 /nfs/dbraw/zinc/13/05/02/1067130502.db2.gz HHKZPOWVLFLRCR-KBAYOESNSA-N 1 0 459.455 -1.420 20 0 JAADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc(c32)C1=O ZINC001144902397 1067130330 /nfs/dbraw/zinc/13/03/30/1067130330.db2.gz HHKZPOWVLFLRCR-RYQLBKOJSA-N 1 0 459.455 -1.420 20 0 JAADRO Cn1nc(-c2ccc(C[NH3+])cc2)cc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C(C)(C)C)c1=O ZINC001144905423 1067131705 /nfs/dbraw/zinc/13/17/05/1067131705.db2.gz ANIIEEXDTJOJGA-FGTMMUONSA-N 1 0 462.503 -1.318 20 0 JAADRO Cn1nc(-c2ccc(C[NH3+])cc2)cc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C(C)(C)C)c1=O ZINC001144905424 1067131630 /nfs/dbraw/zinc/13/16/30/1067131630.db2.gz ANIIEEXDTJOJGA-KZNAEPCWSA-N 1 0 462.503 -1.318 20 0 JAADRO Cn1nc(-c2ccc(C[NH3+])cc2)cc(N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(C)(C)C)c1=O ZINC001144905426 1067131886 /nfs/dbraw/zinc/13/18/86/1067131886.db2.gz ANIIEEXDTJOJGA-OKZBNKHCSA-N 1 0 462.503 -1.318 20 0 JAADRO Cn1nc(-c2ccc(C[NH3+])cc2)cc(N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C(C)(C)C)c1=O ZINC001144905429 1067131734 /nfs/dbraw/zinc/13/17/34/1067131734.db2.gz ANIIEEXDTJOJGA-RCCFBDPRSA-N 1 0 462.503 -1.318 20 0 JAADRO CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001144907576 1067133316 /nfs/dbraw/zinc/13/33/16/1067133316.db2.gz NHCDGQILVBNZIM-BRIYLRKRSA-N 1 0 466.512 -1.140 20 0 JAADRO CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001144907589 1067133154 /nfs/dbraw/zinc/13/31/54/1067133154.db2.gz NHCDGQILVBNZIM-FVVUREQNSA-N 1 0 466.512 -1.140 20 0 JAADRO CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001144907591 1067133262 /nfs/dbraw/zinc/13/32/62/1067133262.db2.gz NHCDGQILVBNZIM-IEWDOMPSSA-N 1 0 466.512 -1.140 20 0 JAADRO CS(=O)(=O)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001144907594 1067133192 /nfs/dbraw/zinc/13/31/92/1067133192.db2.gz NHCDGQILVBNZIM-UURKPOQGSA-N 1 0 466.512 -1.140 20 0 JAADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)S(=O)(=O)c1ccc(C)cc1 ZINC001144907645 1067133087 /nfs/dbraw/zinc/13/30/87/1067133087.db2.gz NWOOPEKVURWSLS-LUKYLMHMSA-N 1 0 490.531 -2.173 20 0 JAADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)S(=O)(=O)c1ccc(C)cc1 ZINC001144907646 1067133229 /nfs/dbraw/zinc/13/32/29/1067133229.db2.gz NWOOPEKVURWSLS-MWDXBVQZSA-N 1 0 490.531 -2.173 20 0 JAADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)S(=O)(=O)c1ccc(C)cc1 ZINC001144907647 1067133293 /nfs/dbraw/zinc/13/32/93/1067133293.db2.gz NWOOPEKVURWSLS-VVLHAWIVSA-N 1 0 490.531 -2.173 20 0 JAADRO COC(=O)[C@H](CCCC[NH3+])N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)c1ccc(C)cc1 ZINC001144907654 1067133288 /nfs/dbraw/zinc/13/32/88/1067133288.db2.gz NWOOPEKVURWSLS-YLFCFFPRSA-N 1 0 490.531 -2.173 20 0 JAADRO CC(=O)O[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001144919848 1067136224 /nfs/dbraw/zinc/13/62/24/1067136224.db2.gz MFARBJQUGOHGEK-ZLNQZCDKSA-N 1 0 458.431 -1.302 20 0 JAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001144997241 1067135937 /nfs/dbraw/zinc/13/59/37/1067135937.db2.gz UWDBYVOUWUXHIS-QISHNALISA-N 1 0 475.506 -1.426 20 0 JAADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001144997250 1067136418 /nfs/dbraw/zinc/13/64/18/1067136418.db2.gz UWDBYVOUWUXHIS-SFJOLLPUSA-N 1 0 475.506 -1.426 20 0 JAADRO C/C(I)=C/C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001145018766 1067136262 /nfs/dbraw/zinc/13/62/62/1067136262.db2.gz WAJUEYHQPLIEQL-DOAJRQCQSA-N 1 0 476.231 -1.268 20 0 JAADRO CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001146212562 1067138179 /nfs/dbraw/zinc/13/81/79/1067138179.db2.gz YRQIEWIVVZFIIA-UMYRIUGOSA-N 1 0 491.505 -1.209 20 0 JAADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)CC2 ZINC001146254368 1067138150 /nfs/dbraw/zinc/13/81/50/1067138150.db2.gz IZDPURWQIUTFHJ-SJORKVTESA-N 1 0 469.608 -1.183 20 0 JAADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)CC2 ZINC001146254466 1067139090 /nfs/dbraw/zinc/13/90/90/1067139090.db2.gz JWHDASRBTRTCBO-ZBFHGGJFSA-N 1 0 453.521 -1.015 20 0 JAADRO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001146291680 1067138942 /nfs/dbraw/zinc/13/89/42/1067138942.db2.gz RLPSNGNZOKTPLN-GBPQWNHNSA-N 1 0 497.534 -1.297 20 0 JAADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001146618425 1067139672 /nfs/dbraw/zinc/13/96/72/1067139672.db2.gz ISJOTVSHXHZGQP-CWIFOLKKSA-N 1 0 450.517 -1.769 20 0 JAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1cc[nH]c(=O)c1)c(N)nc2=O ZINC001146908607 1067140890 /nfs/dbraw/zinc/14/08/90/1067140890.db2.gz NTOYWXOVPAPSMA-GXTWGEPZSA-N 1 0 475.462 -1.174 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1cc[nH]c(=O)c1)c(N)nc2=O ZINC001146908612 1067140678 /nfs/dbraw/zinc/14/06/78/1067140678.db2.gz NTOYWXOVPAPSMA-JSGCOSHPSA-N 1 0 475.462 -1.174 20 0 JAADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ncnn1C)C(N)=O ZINC001147002128 1067140946 /nfs/dbraw/zinc/14/09/46/1067140946.db2.gz XCDBTSSKWWWWJA-KKUMJFAQSA-N 1 0 450.544 -1.340 20 0 JAADRO O=C(c1cc2n(n1)CCNC2=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147544474 1067141771 /nfs/dbraw/zinc/14/17/71/1067141771.db2.gz UVISBZVTTGTELU-XJKSGUPXSA-N 1 0 457.516 -1.194 20 0 JAADRO Cc1nn[nH]c1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001147577262 1067142892 /nfs/dbraw/zinc/14/28/92/1067142892.db2.gz JWAUPLBBDNCAFG-KKUMJFAQSA-N 1 0 450.544 -1.042 20 0 JAADRO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1ccc(=O)oc1)c(N)nc2=O ZINC001147594737 1067142757 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Cn1nnc2c(C(=O)n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)ncn2c1=O ZINC001152745292 1067280372 /nfs/dbraw/zinc/28/03/72/1067280372.db2.gz QUVUNOOLKJCWRH-QWHCGFSZSA-N 1 0 471.503 -1.998 20 0 JAADRO CN1c2cc(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)ccc2CC1=O ZINC001152828350 1067280897 /nfs/dbraw/zinc/28/08/97/1067280897.db2.gz WEFVKUGLDHVDEA-FKQYMORYSA-N 1 0 455.431 -2.040 20 0 JAADRO CC(=O)N1CCc2cc(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)ccc21 ZINC001154277211 1067281470 /nfs/dbraw/zinc/28/14/70/1067281470.db2.gz DEMSTKXMUGIDOR-NOAAKOMESA-N 1 0 469.458 -1.649 20 0 JAADRO CN1Cc2cccc(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)nc3N)c2C1=O ZINC001154330744 1067282100 /nfs/dbraw/zinc/28/21/00/1067282100.db2.gz KEDUAWUFEFPGSI-ZRXDBEOPSA-N 1 0 455.431 -1.973 20 0 JAADRO CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001157082035 1067283184 /nfs/dbraw/zinc/28/31/84/1067283184.db2.gz GDZKRLQOAOGBQL-OWCBBSPXSA-N 1 0 484.529 -1.098 20 0 JAADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)C(N)=O ZINC001157309897 1067284084 /nfs/dbraw/zinc/28/40/84/1067284084.db2.gz NVHJBIWGBJBZTP-KSZLIROESA-N 1 0 484.561 -1.017 20 0 JAADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)C(N)=O ZINC001157309898 1067283795 /nfs/dbraw/zinc/28/37/95/1067283795.db2.gz NVHJBIWGBJBZTP-KURKYZTESA-N 1 0 484.561 -1.017 20 0 JAADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)C(N)=O ZINC001157324442 1067283839 /nfs/dbraw/zinc/28/38/39/1067283839.db2.gz GMXPGSJRLLMIKV-BBWFWOEESA-N 1 0 466.560 -1.178 20 0 JAADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)C(N)=O ZINC001157324443 1067284014 /nfs/dbraw/zinc/28/40/14/1067284014.db2.gz GMXPGSJRLLMIKV-ZACQAIPSSA-N 1 0 466.560 -1.178 20 0 JAADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN(CC[NH3+])S(C)(=O)=O)C(N)=O ZINC001157325110 1067284040 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COc1ccc2c(C[C@H]([NH3+])C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc(=O)oc2c1 ZINC001157423160 1067283955 /nfs/dbraw/zinc/28/39/55/1067283955.db2.gz LAQBFEAPEILWOI-UJUDUELGSA-N 1 0 452.460 -1.368 20 0 JAADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)c2)cc1 ZINC001157424488 1067283895 /nfs/dbraw/zinc/28/38/95/1067283895.db2.gz VLZIUAUJOYMWOK-QYIOPIAMSA-N 1 0 498.558 -1.741 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)CF ZINC001157497867 1067284114 /nfs/dbraw/zinc/28/41/14/1067284114.db2.gz UMWZOEXWWVNVDI-BVYOLEPJSA-N 1 0 485.557 -1.262 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)CF ZINC001157497869 1067284521 /nfs/dbraw/zinc/28/45/21/1067284521.db2.gz UMWZOEXWWVNVDI-MRHSLFKSSA-N 1 0 485.557 -1.262 20 0 JAADRO Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157528524 1067284490 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ZINC001158000550 1067284407 /nfs/dbraw/zinc/28/44/07/1067284407.db2.gz YQMBLXOFAFEBOT-ZJOBFFGXSA-N 1 0 459.519 -1.749 20 0 JAADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)c2ccccc2)C(=O)C1=O ZINC001158102361 1067285506 /nfs/dbraw/zinc/28/55/06/1067285506.db2.gz QGCGRYMCTJNTIR-VGOFRKELSA-N 1 0 456.503 -1.182 20 0 JAADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)c2ccccc2)C(=O)C1=O ZINC001158102362 1067285416 /nfs/dbraw/zinc/28/54/16/1067285416.db2.gz QGCGRYMCTJNTIR-VGSWGCGISA-N 1 0 456.503 -1.182 20 0 JAADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158103013 1067285669 /nfs/dbraw/zinc/28/56/69/1067285669.db2.gz ZTXSTCGMUMBERS-LAUBAEHRSA-N 1 0 463.560 -1.045 20 0 JAADRO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158103017 1067285546 /nfs/dbraw/zinc/28/55/46/1067285546.db2.gz ZTXSTCGMUMBERS-UWJYYQICSA-N 1 0 463.560 -1.045 20 0 JAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120657 1067285458 /nfs/dbraw/zinc/28/54/58/1067285458.db2.gz PFAYWVXDHUYSQE-HKARXFIJSA-N 1 0 474.562 -1.957 20 0 JAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120659 1067285351 /nfs/dbraw/zinc/28/53/51/1067285351.db2.gz PFAYWVXDHUYSQE-QQMNAOGKSA-N 1 0 474.562 -1.957 20 0 JAADRO COC(=O)[C@@]12COC[C@@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C2 ZINC001158235290 1067285610 /nfs/dbraw/zinc/28/56/10/1067285610.db2.gz CCZKOCYDYPFEEG-RLEFSSPRSA-N 1 0 472.514 -1.464 20 0 JAADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277984 1067285906 /nfs/dbraw/zinc/28/59/06/1067285906.db2.gz ZTBBCJODHBCNLF-ROUUACIJSA-N 1 0 486.577 -1.183 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC2(CC1)COCC(=O)N2)C(=O)CF ZINC001158327170 1067286278 /nfs/dbraw/zinc/28/62/78/1067286278.db2.gz TVZHMZLFVVISRG-DEYYWGMASA-N 1 0 471.530 -1.605 20 0 JAADRO O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352294 1067286231 /nfs/dbraw/zinc/28/62/31/1067286231.db2.gz NUHDRNSIGWUIIT-KDLAUNOPSA-N 1 0 483.573 -1.142 20 0 JAADRO O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352295 1067286063 /nfs/dbraw/zinc/28/60/63/1067286063.db2.gz NUHDRNSIGWUIIT-PDOGEWKWSA-N 1 0 483.573 -1.142 20 0 JAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352461 1067286187 /nfs/dbraw/zinc/28/61/87/1067286187.db2.gz QJGIFVWEQAJDKT-ORQYLMBXSA-N 1 0 489.577 -1.795 20 0 JAADRO O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352963 1067286324 /nfs/dbraw/zinc/28/63/24/1067286324.db2.gz XWEFPWAYZXFNHY-GLDPYIMESA-N 1 0 485.589 -1.289 20 0 JAADRO O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352966 1067285997 /nfs/dbraw/zinc/28/59/97/1067285997.db2.gz XWEFPWAYZXFNHY-JXQFQVJHSA-N 1 0 485.589 -1.289 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001158360886 1067286142 /nfs/dbraw/zinc/28/61/42/1067286142.db2.gz CUXLONDVFZSJLR-UHFFFAOYSA-N 1 0 499.576 -1.657 20 0 JAADRO CCOC(=O)c1nc2n(n1)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C2 ZINC001158432437 1067286709 /nfs/dbraw/zinc/28/67/09/1067286709.db2.gz VPETWVHMMMEXCB-DCGLDWPTSA-N 1 0 497.528 -1.302 20 0 JAADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001158498723 1067286929 /nfs/dbraw/zinc/28/69/29/1067286929.db2.gz TVYPTBSBEUPQNM-VPAKFMSCSA-N 1 0 477.562 -1.144 20 0 JAADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001158626062 1067286872 /nfs/dbraw/zinc/28/68/72/1067286872.db2.gz CWHHHHVWVHFXJV-AEFRCRGFSA-N 1 0 459.547 -1.256 20 0 JAADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]3O2)n1 ZINC001158630100 1067287132 /nfs/dbraw/zinc/28/71/32/1067287132.db2.gz YDCCINGJSQPBGY-BHYGNILZSA-N 1 0 475.550 -1.414 20 0 JAADRO O=C(COCc1nnn2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CCC2)N1CCCC1 ZINC001158630170 1067287159 /nfs/dbraw/zinc/28/71/59/1067287159.db2.gz MWULATZAYTVICF-HNNXBMFYSA-N 1 0 466.564 -1.074 20 0 JAADRO O=C(COCc1nnn2c1CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CCC2)N1CCCC1 ZINC001158630174 1067287017 /nfs/dbraw/zinc/28/70/17/1067287017.db2.gz MWULATZAYTVICF-OAHLLOKOSA-N 1 0 466.564 -1.074 20 0 JAADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630303 1067287196 /nfs/dbraw/zinc/28/71/96/1067287196.db2.gz OJXDWWBUIATPDY-KBPBESRZSA-N 1 0 464.527 -2.143 20 0 JAADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1)C(N)=O ZINC001158630484 1067286945 /nfs/dbraw/zinc/28/69/45/1067286945.db2.gz RBVLEXJRIYDDAX-LSDHHAIUSA-N 1 0 478.554 -1.753 20 0 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[NH3+][C@H]1CCCCN(CC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1=O ZINC001158680279 1067287800 /nfs/dbraw/zinc/28/78/00/1067287800.db2.gz BLECOGHYMTZMCW-YESZJQIVSA-N 1 0 478.575 -1.124 20 0 JAADRO [NH3+]CCOCCOCC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680328 1067287710 /nfs/dbraw/zinc/28/77/10/1067287710.db2.gz DJYZRPREAZIPCG-JKSUJKDBSA-N 1 0 455.537 -1.472 20 0 JAADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680740 1067287823 /nfs/dbraw/zinc/28/78/23/1067287823.db2.gz FHOSQNKLGMOFNN-QSPRXWTASA-N 1 0 478.575 -1.126 20 0 JAADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680793 1067287510 /nfs/dbraw/zinc/28/75/10/1067287510.db2.gz GIXUOJACGVQPHD-LSDHHAIUSA-N 1 0 488.592 -2.244 20 0 JAADRO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680806 1067287615 /nfs/dbraw/zinc/28/76/15/1067287615.db2.gz GTJAMYRVSUYLDZ-GVDBMIGSSA-N 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COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160918444 1067321970 /nfs/dbraw/zinc/32/19/70/1067321970.db2.gz JPEOBYRXMLCUMJ-HRAATJIYSA-N 1 0 461.519 -1.368 20 0 JAADRO COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160918476 1067322004 /nfs/dbraw/zinc/32/20/04/1067322004.db2.gz JPEOBYRXMLCUMJ-IERDGZPVSA-N 1 0 461.519 -1.368 20 0 JAADRO COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160918477 1067322176 /nfs/dbraw/zinc/32/21/76/1067322176.db2.gz JPEOBYRXMLCUMJ-IIBYNOLFSA-N 1 0 461.519 -1.368 20 0 JAADRO COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160918478 1067322033 /nfs/dbraw/zinc/32/20/33/1067322033.db2.gz JPEOBYRXMLCUMJ-KKSFZXQISA-N 1 0 461.519 -1.368 20 0 JAADRO COCCOc1cccc(N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)c1 ZINC001160944047 1067322298 /nfs/dbraw/zinc/32/22/98/1067322298.db2.gz VWOVWRDQJMSYAL-UHFFFAOYSA-N 1 0 464.523 -2.332 20 0 JAADRO C[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001160957501 1067322060 /nfs/dbraw/zinc/32/20/60/1067322060.db2.gz SKGXDLHPMWXBLC-HIFRSBDPSA-N 1 0 473.538 -2.062 20 0 JAADRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160962582 1067322152 /nfs/dbraw/zinc/32/21/52/1067322152.db2.gz CZKPXNBAGRDGPW-ZSDSOXJFSA-N 1 0 487.598 -1.086 20 0 JAADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)C2=O)cc1 ZINC001160966072 1067322778 /nfs/dbraw/zinc/32/27/78/1067322778.db2.gz XYWHZMSIUYSULI-IBGZPJMESA-N 1 0 453.521 -1.062 20 0 JAADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)C2=O)cc1 ZINC001160966073 1067323126 /nfs/dbraw/zinc/32/31/26/1067323126.db2.gz XYWHZMSIUYSULI-LJQANCHMSA-N 1 0 453.521 -1.062 20 0 JAADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C3)C2=O)cc1 ZINC001160966889 1067323183 /nfs/dbraw/zinc/32/31/83/1067323183.db2.gz FFNXNNMQMUHZAE-HCQWSFJTSA-N 1 0 460.491 -1.575 20 0 JAADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C3)C2=O)cc1 ZINC001160966890 1067323238 /nfs/dbraw/zinc/32/32/38/1067323238.db2.gz FFNXNNMQMUHZAE-QOKQMOMRSA-N 1 0 460.491 -1.575 20 0 JAADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C3)C2=O)cc1 ZINC001160967157 1067323069 /nfs/dbraw/zinc/32/30/69/1067323069.db2.gz JMIAAWVOBYMRHI-IATAILRESA-N 1 0 474.518 -1.184 20 0 JAADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C3)C2=O)cc1 ZINC001160967158 1067323159 /nfs/dbraw/zinc/32/31/59/1067323159.db2.gz JMIAAWVOBYMRHI-JWCWZOIMSA-N 1 0 474.518 -1.184 20 0 JAADRO N[C@@H](C[NH3+])C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991378 1067323027 /nfs/dbraw/zinc/32/30/27/1067323027.db2.gz CEERBDVBGSPTRY-JYJNAYRXSA-N 1 0 452.510 -1.278 20 0 JAADRO [NH3+]C[C@H](O)C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991881 1067322800 /nfs/dbraw/zinc/32/28/00/1067322800.db2.gz GSHLWKXJGBVCRS-JYJNAYRXSA-N 1 0 453.494 -1.245 20 0 JAADRO [NH3+]CCNCC(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992172 1067322666 /nfs/dbraw/zinc/32/26/66/1067322666.db2.gz ITQLEWMBJZILOZ-IRXDYDNUSA-N 1 0 466.537 -1.016 20 0 JAADRO N[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993391 1067322969 /nfs/dbraw/zinc/32/29/69/1067322969.db2.gz PWEDHPJLCDJAPQ-XSLAGTTESA-N 1 0 478.548 -1.018 20 0 JAADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CCN1)N1CCC(F)(F)C1 ZINC001160993498 1067323097 /nfs/dbraw/zinc/32/30/97/1067323097.db2.gz UKYGNZFHMXYZRJ-BZSNNMDCSA-N 1 0 478.548 -1.003 20 0 JAADRO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]CCN1)N1CCC(F)(F)C1 ZINC001160993499 1067322743 /nfs/dbraw/zinc/32/27/43/1067322743.db2.gz UKYGNZFHMXYZRJ-KSZLIROESA-N 1 0 478.548 -1.003 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001161038052 1067323260 /nfs/dbraw/zinc/32/32/60/1067323260.db2.gz CYPMBYQMUCPNBU-UHFFFAOYSA-N 1 0 463.466 -1.541 20 0 JAADRO CSc1nc(Cl)cc(N2CCCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)n1 ZINC001161055097 1067322712 /nfs/dbraw/zinc/32/27/12/1067322712.db2.gz VMQBFHVGWGDWIP-UHFFFAOYSA-N 1 0 486.986 -1.802 20 0 JAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066897 1067323715 /nfs/dbraw/zinc/32/37/15/1067323715.db2.gz DFRIWZTWJMRJMC-KKUMJFAQSA-N 1 0 452.537 -1.585 20 0 JAADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066898 1067323536 /nfs/dbraw/zinc/32/35/36/1067323536.db2.gz DFRIWZTWJMRJMC-ZNMIVQPWSA-N 1 0 452.537 -1.585 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068419 1067323792 /nfs/dbraw/zinc/32/37/92/1067323792.db2.gz QIXWSVDOHRVPOT-GFCCVEGCSA-N 1 0 455.497 -3.732 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068420 1067323507 /nfs/dbraw/zinc/32/35/07/1067323507.db2.gz QIXWSVDOHRVPOT-LBPRGKRZSA-N 1 0 455.497 -3.732 20 0 JAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068786 1067323446 /nfs/dbraw/zinc/32/34/46/1067323446.db2.gz WWPYYOQXSKEXLV-NJAFHUGGSA-N 1 0 477.543 -1.287 20 0 JAADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068868 1067323853 /nfs/dbraw/zinc/32/38/53/1067323853.db2.gz WWPYYOQXSKEXLV-SZMVWBNQSA-N 1 0 477.543 -1.287 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC2(CNC(=O)N2)CC1)C(=O)CF ZINC001161081011 1067323392 /nfs/dbraw/zinc/32/33/92/1067323392.db2.gz BXPXCTNTZNGTTR-XEZPLFJOSA-N 1 0 456.519 -1.438 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(c2ncc(O)cn2)CC1)C(=O)CF ZINC001161083824 1067323575 /nfs/dbraw/zinc/32/35/75/1067323575.db2.gz UKUOJQCLADUGMP-YEWWUXTCSA-N 1 0 481.529 -1.268 20 0 JAADRO COC(=O)[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@@H]1c1ccc(F)cc1 ZINC001161085485 1067323657 /nfs/dbraw/zinc/32/36/57/1067323657.db2.gz ZDLQAYFYWJLICQ-CABCVRRESA-N 1 0 451.455 -2.152 20 0 JAADRO CCOC(=O)[C@@H]1COCCN1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001161093393 1067323769 /nfs/dbraw/zinc/32/37/69/1067323769.db2.gz MYCUANWEPVTPFC-WSMBLCCSSA-N 1 0 460.503 -1.322 20 0 JAADRO CCOC(=O)[C@H]1COCCN1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001161093394 1067323810 /nfs/dbraw/zinc/32/38/10/1067323810.db2.gz MYCUANWEPVTPFC-ZJOBFFGXSA-N 1 0 460.503 -1.322 20 0 JAADRO CC(C)(C)OC(=O)c1ccc(N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)cc1 ZINC001161099760 1067323619 /nfs/dbraw/zinc/32/36/19/1067323619.db2.gz WJLVQYZCKRQWBX-UHFFFAOYSA-N 1 0 490.561 -1.402 20 0 JAADRO Cc1cn(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)c(=O)[nH]c1=O ZINC001161117210 1067323840 /nfs/dbraw/zinc/32/38/40/1067323840.db2.gz ATXZLVPOWUITGS-GJZGRUSLSA-N 1 0 454.478 -1.000 20 0 JAADRO O=C(CN1CCS(=O)(=O)CC1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119206 1067323605 /nfs/dbraw/zinc/32/36/05/1067323605.db2.gz LWWSRTJBRJGWQV-HOTGVXAUSA-N 1 0 463.551 -1.541 20 0 JAADRO CC(=O)N1CCN(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161119646 1067324363 /nfs/dbraw/zinc/32/43/63/1067324363.db2.gz RNBPEEJINNDZGZ-ROUUACIJSA-N 1 0 456.538 -1.107 20 0 JAADRO Cn1cc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)c(=O)n(C)c1=O ZINC001161122222 1067324056 /nfs/dbraw/zinc/32/40/56/1067324056.db2.gz JUSLHDJYFZGFRV-ZFWWWQNUSA-N 1 0 454.478 -1.560 20 0 JAADRO Cn1c(=O)cc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n(C)c1=O ZINC001161122392 1067324343 /nfs/dbraw/zinc/32/43/43/1067324343.db2.gz SCTRFACQNHWXAT-KBPBESRZSA-N 1 0 454.478 -1.560 20 0 JAADRO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122592 1067324166 /nfs/dbraw/zinc/32/41/66/1067324166.db2.gz BUBQMRSIQQADAC-KKUMJFAQSA-N 1 0 456.494 -1.877 20 0 JAADRO CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122835 1067324199 /nfs/dbraw/zinc/32/41/99/1067324199.db2.gz LYZHYFQUIHLHBL-KKUMJFAQSA-N 1 0 474.509 -1.281 20 0 JAADRO Cn1nnc2c(C(=O)N3CCN([C@@H]4C[NH2+][C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)ncn2c1=O ZINC001161123189 1067324126 /nfs/dbraw/zinc/32/41/26/1067324126.db2.gz BTDYDGZKFJWVAF-STQMWFEESA-N 1 0 465.465 -1.821 20 0 JAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123788 1067324210 /nfs/dbraw/zinc/32/42/10/1067324210.db2.gz SMAIICRMIPGVJQ-KOWPAETKSA-N 1 0 457.522 -1.140 20 0 JAADRO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123792 1067324098 /nfs/dbraw/zinc/32/40/98/1067324098.db2.gz SMAIICRMIPGVJQ-RHJCGQNESA-N 1 0 457.522 -1.140 20 0 JAADRO 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487.573 -1.113 20 0 JAADRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])OC(C)(C)O1 ZINC001220467161 1067353590 /nfs/dbraw/zinc/35/35/90/1067353590.db2.gz OPGZDLLQAKLVFZ-KGLIPLIRSA-N 1 0 487.554 -1.948 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](CO)C(=O)OC(C)(C)C)C(=O)CF ZINC001220479233 1067353925 /nfs/dbraw/zinc/35/39/25/1067353925.db2.gz DLUIQZFAGCMLEN-QCQGSNGOSA-N 1 0 462.519 -1.293 20 0 JAADRO COCCOCCOCCOCCNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220514582 1067354358 /nfs/dbraw/zinc/35/43/58/1067354358.db2.gz QMYLJUSPZYELTL-OALUTQOASA-N 1 0 457.524 -1.449 20 0 JAADRO COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220585414 1067354583 /nfs/dbraw/zinc/35/45/83/1067354583.db2.gz KKLDOCZMYSNZQW-INIZCTEOSA-N 1 0 479.534 -1.629 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622089 1067354274 /nfs/dbraw/zinc/35/42/74/1067354274.db2.gz HYMNNVNWPFPKGD-UHFFFAOYSA-N 1 0 469.524 -3.342 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC1CCN(c2cnc3ccccc3n2)CC1 ZINC001220623208 1067354636 /nfs/dbraw/zinc/35/46/36/1067354636.db2.gz YYMYEIQWRFMTST-UHFFFAOYSA-N 1 0 456.507 -1.978 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1ccc2ncc(Br)cc2c1 ZINC001220632374 1067354244 /nfs/dbraw/zinc/35/42/44/1067354244.db2.gz VQRBQMKFFWBEKD-UHFFFAOYSA-N 1 0 465.308 -1.079 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CCc2cc(Br)ccc2C1 ZINC001220649156 1067354613 /nfs/dbraw/zinc/35/46/13/1067354613.db2.gz TVXHMMPLBBCBHF-AWEZNQCLSA-N 1 0 454.325 -1.270 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCc2cc(Br)ccc2C1 ZINC001220649157 1067354434 /nfs/dbraw/zinc/35/44/34/1067354434.db2.gz TVXHMMPLBBCBHF-CQSZACIVSA-N 1 0 454.325 -1.270 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1ccc(OCc2ccccn2)cc1 ZINC001220669994 1067354306 /nfs/dbraw/zinc/35/43/06/1067354306.db2.gz AIBJVRRHFUAHNY-UHFFFAOYSA-N 1 0 456.503 -1.373 20 0 JAADRO 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DVYBRSBVNDIGTH-PLMAOHFASA-N 1 0 488.497 -1.172 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]2C[NH2+]CC[C@@H]2O)cc1 ZINC001220765749 1067355658 /nfs/dbraw/zinc/35/56/58/1067355658.db2.gz DVYBRSBVNDIGTH-POZCIEJDSA-N 1 0 488.497 -1.172 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]2C[NH2+]CC[C@H]2O)cc1 ZINC001220765750 1067355686 /nfs/dbraw/zinc/35/56/86/1067355686.db2.gz DVYBRSBVNDIGTH-ZLIPZANWSA-N 1 0 488.497 -1.172 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001220765783 1067355399 /nfs/dbraw/zinc/35/53/99/1067355399.db2.gz FJLMUUNZHYXTDJ-DWMRXWKPSA-N 1 0 474.470 -1.562 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC001220765784 1067355336 /nfs/dbraw/zinc/35/53/36/1067355336.db2.gz FJLMUUNZHYXTDJ-GEGKCPRNSA-N 1 0 474.470 -1.562 20 0 JAADRO 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20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@]2(N)CCC[NH2+]C2)cc1 ZINC001220766381 1067356616 /nfs/dbraw/zinc/35/66/16/1067356616.db2.gz RGJTYOKBDTWNGY-LAAPOXJFSA-N 1 0 487.513 -1.062 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@]2(N)CCC[NH2+]C2)cc1 ZINC001220766382 1067356549 /nfs/dbraw/zinc/35/65/49/1067356549.db2.gz RGJTYOKBDTWNGY-UFVRFAJXSA-N 1 0 487.513 -1.062 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C2(O)CC[NH2+]CC2)cc1 ZINC001220766436 1067356585 /nfs/dbraw/zinc/35/65/85/1067356585.db2.gz SAYVILJTVXHAKK-NXWXRZEISA-N 1 0 488.497 -1.028 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C[C@H](O)C[NH3+])cc1 ZINC001220766533 1067356397 /nfs/dbraw/zinc/35/63/97/1067356397.db2.gz UOFMYYBFYDTYOH-RMIBSVFLSA-N 1 0 462.459 -1.433 20 0 JAADRO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C[C@@H](O)C[NH3+])cc1 ZINC001220766534 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JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001220924371 1067357682 /nfs/dbraw/zinc/35/76/82/1067357682.db2.gz RRCFXKRNVZWADV-UHFFFAOYSA-N 1 0 464.498 -1.899 20 0 JAADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC1CCN(S(C)(=O)=O)CC1)C(=O)CF ZINC001220926205 1067357605 /nfs/dbraw/zinc/35/76/05/1067357605.db2.gz AZVMPOWSFGNGJL-YEWWUXTCSA-N 1 0 493.602 -1.324 20 0 JAADRO COc1cccc(CC2(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCOCC2)c1 ZINC001220941417 1067357499 /nfs/dbraw/zinc/35/74/99/1067357499.db2.gz QXKFDIBBOKNYOI-UHFFFAOYSA-N 1 0 463.535 -1.542 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1(c2ccccc2Br)CCOCC1 ZINC001220944883 1067357325 /nfs/dbraw/zinc/35/73/25/1067357325.db2.gz HEYDNMNVTNVGPX-UHFFFAOYSA-N 1 0 498.378 -1.079 20 0 JAADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc(F)c(OC2CCOCC2)c(F)c1 ZINC001220947118 1067357627 /nfs/dbraw/zinc/35/76/27/1067357627.db2.gz VQELFSVJWNKCSZ-UHFFFAOYSA-N 1 0 471.461 -1.554 20 0 JAADRO 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COC[C@@H](C)[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O ZINC001255560832 1067381871 /nfs/dbraw/zinc/38/18/71/1067381871.db2.gz JNYLDCKGMYTGPL-VKXCEXFMSA-N 1 0 485.582 -2.307 20 0 JAADRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001255588401 1067382124 /nfs/dbraw/zinc/38/21/24/1067382124.db2.gz LEMYCWXLOGLZMY-QTKMUVPMSA-N 1 0 451.484 -1.065 20 0 JAADRO CC(C)(C)OC(=O)N1CC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001255588655 1067381995 /nfs/dbraw/zinc/38/19/95/1067381995.db2.gz LEMYCWXLOGLZMY-YXUMDAIYSA-N 1 0 451.484 -1.065 20 0 JAADRO C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256335557 1067382404 /nfs/dbraw/zinc/38/24/04/1067382404.db2.gz QJXAFVZFQOLFDE-MPGHIAIKSA-N 1 0 463.535 -1.364 20 0 JAADRO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256335558 1067382480 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ZINC001257732605 1067383377 /nfs/dbraw/zinc/38/33/77/1067383377.db2.gz FHJXNTLDGMHBGU-IASZTOCISA-N 1 0 465.503 -1.014 20 0 JAADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C[C@H]1C(=O)OC ZINC001257732606 1067383261 /nfs/dbraw/zinc/38/32/61/1067383261.db2.gz FHJXNTLDGMHBGU-XABWRGDLSA-N 1 0 465.503 -1.014 20 0 JAADRO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001257925354 1067384014 /nfs/dbraw/zinc/38/40/14/1067384014.db2.gz FOCXXEFKZLYOCO-RFGFWPKPSA-N 1 0 451.542 -1.097 20 0 JAADRO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001257925355 1067383860 /nfs/dbraw/zinc/38/38/60/1067383860.db2.gz FOCXXEFKZLYOCO-XUXIUFHCSA-N 1 0 451.542 -1.097 20 0 JAADRO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001257929026 1067384044 /nfs/dbraw/zinc/38/40/44/1067384044.db2.gz DAMPBLFAPFGGFE-COXVUDFISA-N 1 0 473.548 -1.388 20 0 JAADRO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001257929029 1067383885 /nfs/dbraw/zinc/38/38/85/1067383885.db2.gz DAMPBLFAPFGGFE-JQFCIGGWSA-N 1 0 473.548 -1.388 20 0 JAADRO C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH2+][C@@H](C)CC1CC1)[C@@H](C)O)C(N)=O ZINC001258456279 1067383846 /nfs/dbraw/zinc/38/38/46/1067383846.db2.gz ZOTYDIYHFSWYFK-FFBJDJJLSA-N 1 0 495.621 -1.153 20 0 JAADRO C[C@H](CC1CC1)[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O ZINC001258456287 1067383929 /nfs/dbraw/zinc/38/39/29/1067383929.db2.gz ZOTYDIYHFSWYFK-KLEXHFHZSA-N 1 0 495.621 -1.153 20 0 JAADRO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)CC1 ZINC001286879011 1067390780 /nfs/dbraw/zinc/39/07/80/1067390780.db2.gz BBLSEXTYHMFAKY-KRWDZBQOSA-N 1 0 473.600 -1.142 20 0 JAADRO CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC[NH+](C)C)CC1 ZINC001286879012 1067390857 /nfs/dbraw/zinc/39/08/57/1067390857.db2.gz BBLSEXTYHMFAKY-QGZVFWFLSA-N 1 0 473.600 -1.142 20 0 JAADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288147970 1067392470 /nfs/dbraw/zinc/39/24/70/1067392470.db2.gz OGBVYYMSCYWUOG-NRFANRHFSA-N 1 0 462.555 -1.590 20 0 JAADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288147973 1067392384 /nfs/dbraw/zinc/39/23/84/1067392384.db2.gz OGBVYYMSCYWUOG-OAQYLSRUSA-N 1 0 462.555 -1.590 20 0 JAADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CCOCC[NH+](C)C ZINC001288148622 1067392491 /nfs/dbraw/zinc/39/24/91/1067392491.db2.gz VLZPWLLWRMLDMC-UHFFFAOYSA-N 1 0 494.597 -1.498 20 0 JAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001288168278 1067392232 /nfs/dbraw/zinc/39/22/32/1067392232.db2.gz NMXIGZNIUDYLMB-HNNXBMFYSA-N 1 0 462.555 -1.326 20 0 JAADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001288168279 1067392363 /nfs/dbraw/zinc/39/23/63/1067392363.db2.gz NMXIGZNIUDYLMB-OAHLLOKOSA-N 1 0 462.555 -1.326 20 0 JAADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288652358 1067392710 /nfs/dbraw/zinc/39/27/10/1067392710.db2.gz PTKAMYSRTNHFNJ-AEFFLSMTSA-N 1 0 498.654 -1.038 20 0 JAADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288652359 1067392639 /nfs/dbraw/zinc/39/26/39/1067392639.db2.gz PTKAMYSRTNHFNJ-FUHWJXTLSA-N 1 0 498.654 -1.038 20 0 JAADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288652460 1067392662 /nfs/dbraw/zinc/39/26/62/1067392662.db2.gz PTKAMYSRTNHFNJ-SJLPKXTDSA-N 1 0 498.654 -1.038 20 0 JAADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288652461 1067392737 /nfs/dbraw/zinc/39/27/37/1067392737.db2.gz PTKAMYSRTNHFNJ-WMZOPIPTSA-N 1 0 498.654 -1.038 20 0 JAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288861299 1067393029 /nfs/dbraw/zinc/39/30/29/1067393029.db2.gz YZHSTGZHPPXHBV-CKJXQJPGSA-N 1 0 498.654 -1.256 20 0 JAADRO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001288861302 1067392969 /nfs/dbraw/zinc/39/29/69/1067392969.db2.gz YZHSTGZHPPXHBV-GCKMJXCFSA-N 1 0 498.654 -1.256 20 0 JAADRO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001288861304 1067393369 /nfs/dbraw/zinc/39/33/69/1067393369.db2.gz YZHSTGZHPPXHBV-MRUHUIDDSA-N 1 0 498.654 -1.256 20 0 JAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288861306 1067393395 /nfs/dbraw/zinc/39/33/95/1067393395.db2.gz YZHSTGZHPPXHBV-QYWGDWMGSA-N 1 0 498.654 -1.256 20 0 JAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[NH+]1CCCCC1 ZINC001288871197 1067393770 /nfs/dbraw/zinc/39/37/70/1067393770.db2.gz PXMKKHIHYQPDKL-CABCVRRESA-N 1 0 468.584 -1.479 20 0 JAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[NH+]1CCCCC1 ZINC001288871198 1067393710 /nfs/dbraw/zinc/39/37/10/1067393710.db2.gz PXMKKHIHYQPDKL-GJZGRUSLSA-N 1 0 468.584 -1.479 20 0 JAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[NH+]1CCCCC1 ZINC001288871199 1067394155 /nfs/dbraw/zinc/39/41/55/1067394155.db2.gz PXMKKHIHYQPDKL-HUUCEWRRSA-N 1 0 468.584 -1.479 20 0 JAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[NH+]1CCCCC1 ZINC001288871200 1067394226 /nfs/dbraw/zinc/39/42/26/1067394226.db2.gz PXMKKHIHYQPDKL-LSDHHAIUSA-N 1 0 468.584 -1.479 20 0 JAADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001290978864 1067394495 /nfs/dbraw/zinc/39/44/95/1067394495.db2.gz AKRXUVOMZJALEJ-CLCXKQKWSA-N 1 0 471.584 -1.656 20 0 JAADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001290978865 1067394630 /nfs/dbraw/zinc/39/46/30/1067394630.db2.gz AKRXUVOMZJALEJ-SPYBWZPUSA-N 1 0 471.584 -1.656 20 0 JAADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001290978866 1067394574 /nfs/dbraw/zinc/39/45/74/1067394574.db2.gz AKRXUVOMZJALEJ-VCBZYWHSSA-N 1 0 471.584 -1.656 20 0 JAADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001290978867 1067394843 /nfs/dbraw/zinc/39/48/43/1067394843.db2.gz AKRXUVOMZJALEJ-ZRGWGRIASA-N 1 0 471.584 -1.656 20 0 JAADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+]1CCCC1 ZINC001292172452 1067395394 /nfs/dbraw/zinc/39/53/94/1067395394.db2.gz KSWHLOBVNIEAEV-ARFHVFGLSA-N 1 0 482.611 -1.090 20 0 JAADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)[NH+]1CCCC1 ZINC001292172453 1067395546 /nfs/dbraw/zinc/39/55/46/1067395546.db2.gz KSWHLOBVNIEAEV-BZUAXINKSA-N 1 0 482.611 -1.090 20 0 JAADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+]1CCCC1 ZINC001292172454 1067395536 /nfs/dbraw/zinc/39/55/36/1067395536.db2.gz KSWHLOBVNIEAEV-OAGGEKHMSA-N 1 0 482.611 -1.090 20 0 JAADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)[NH+]1CCCC1 ZINC001292172455 1067395449 /nfs/dbraw/zinc/39/54/49/1067395449.db2.gz KSWHLOBVNIEAEV-XHSDSOJGSA-N 1 0 482.611 -1.090 20 0 JAADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001294743657 1067396299 /nfs/dbraw/zinc/39/62/99/1067396299.db2.gz CTJWQSVUCHJQEC-HRCADAONSA-N 1 0 482.611 -1.090 20 0 JAADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001294743658 1067396123 /nfs/dbraw/zinc/39/61/23/1067396123.db2.gz CTJWQSVUCHJQEC-JYJNAYRXSA-N 1 0 482.611 -1.090 20 0 JAADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001294743659 1067396277 /nfs/dbraw/zinc/39/62/77/1067396277.db2.gz CTJWQSVUCHJQEC-OWCLPIDISA-N 1 0 482.611 -1.090 20 0 JAADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001294743660 1067396096 /nfs/dbraw/zinc/39/60/96/1067396096.db2.gz CTJWQSVUCHJQEC-PMPSAXMXSA-N 1 0 482.611 -1.090 20 0 JAADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001296184372 1067397287 /nfs/dbraw/zinc/39/72/87/1067397287.db2.gz KFDIQPDVNKEXQE-MSOLQXFVSA-N 1 0 489.625 -1.163 20 0 JAADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001296184373 1067397417 /nfs/dbraw/zinc/39/74/17/1067397417.db2.gz KFDIQPDVNKEXQE-QZTJIDSGSA-N 1 0 489.625 -1.163 20 0 JAADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001296184374 1067397534 /nfs/dbraw/zinc/39/75/34/1067397534.db2.gz KFDIQPDVNKEXQE-ROUUACIJSA-N 1 0 489.625 -1.163 20 0 JAADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001296184376 1067397324 /nfs/dbraw/zinc/39/73/24/1067397324.db2.gz KFDIQPDVNKEXQE-ZWKOTPCHSA-N 1 0 489.625 -1.163 20 0 JAADRO CC[NH+]1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296204464 1067397486 /nfs/dbraw/zinc/39/74/86/1067397486.db2.gz JNUUYUPNEZZWDL-MSOLQXFVSA-N 1 0 498.654 -1.050 20 0 JAADRO CC[NH+]1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296204465 1067397205 /nfs/dbraw/zinc/39/72/05/1067397205.db2.gz JNUUYUPNEZZWDL-QZTJIDSGSA-N 1 0 498.654 -1.050 20 0 JAADRO CC[NH+]1CCN(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296204466 1067397357 /nfs/dbraw/zinc/39/73/57/1067397357.db2.gz JNUUYUPNEZZWDL-ROUUACIJSA-N 1 0 498.654 -1.050 20 0 JAADRO CC[NH+]1CCN(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296204467 1067397562 /nfs/dbraw/zinc/39/75/62/1067397562.db2.gz JNUUYUPNEZZWDL-ZWKOTPCHSA-N 1 0 498.654 -1.050 20 0 JAADRO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001297783583 1067398552 /nfs/dbraw/zinc/39/85/52/1067398552.db2.gz RFUFLSBVWPLBHM-CVEARBPZSA-N 1 0 482.611 -1.089 20 0 JAADRO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001297783585 1067398380 /nfs/dbraw/zinc/39/83/80/1067398380.db2.gz RFUFLSBVWPLBHM-HOTGVXAUSA-N 1 0 482.611 -1.089 20 0 JAADRO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001297783588 1067398290 /nfs/dbraw/zinc/39/82/90/1067398290.db2.gz RFUFLSBVWPLBHM-HZPDHXFCSA-N 1 0 482.611 -1.089 20 0 JAADRO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001297783590 1067398493 /nfs/dbraw/zinc/39/84/93/1067398493.db2.gz RFUFLSBVWPLBHM-JKSUJKDBSA-N 1 0 482.611 -1.089 20 0 JAADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001298095927 1067399604 /nfs/dbraw/zinc/39/96/04/1067399604.db2.gz JJHCCSXJSGBISD-BBWFWOEESA-N 1 0 485.611 -1.096 20 0 JAADRO C[NH+](C)CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001298095928 1067399677 /nfs/dbraw/zinc/39/96/77/1067399677.db2.gz JJHCCSXJSGBISD-IKGGRYGDSA-N 1 0 485.611 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485.611 -1.216 20 0 JAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001611705544 1067529440 /nfs/dbraw/zinc/52/94/40/1067529440.db2.gz VDMBBTZLMGNXLL-UZLBHIALSA-N 1 0 485.611 -1.216 20 0 JAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=O)N1CCOCC1 ZINC001611708695 1067529541 /nfs/dbraw/zinc/52/95/41/1067529541.db2.gz DPFBQHDMNGKCKY-DLBZAZTESA-N 1 0 485.611 -1.094 20 0 JAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(=O)N1CCOCC1 ZINC001611708696 1067529598 /nfs/dbraw/zinc/52/95/98/1067529598.db2.gz DPFBQHDMNGKCKY-IAGOWNOFSA-N 1 0 485.611 -1.094 20 0 JAADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=O)N1CCOCC1 ZINC001611708697 1067529428 /nfs/dbraw/zinc/52/94/28/1067529428.db2.gz DPFBQHDMNGKCKY-IRXDYDNUSA-N 1 0 485.611 -1.094 20 0 JAADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(=O)N1CCOCC1 ZINC001611708698 1067529498 /nfs/dbraw/zinc/52/94/98/1067529498.db2.gz DPFBQHDMNGKCKY-SJORKVTESA-N 1 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