smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994275 1078021288 /nfs/dbraw/zinc/02/12/88/1078021288.db2.gz VOZNYQBCBKPOJS-RBUKOAKNSA-N 1 3 410.559 0.030 20 0 HCADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994275 1078021281 /nfs/dbraw/zinc/02/12/81/1078021281.db2.gz VOZNYQBCBKPOJS-RBUKOAKNSA-N 1 3 410.559 0.030 20 0 HCADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994276 1078021607 /nfs/dbraw/zinc/02/16/07/1078021607.db2.gz VOZNYQBCBKPOJS-OALUTQOASA-N 1 3 410.559 0.030 20 0 HCADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)C1 ZINC000054994276 1078021601 /nfs/dbraw/zinc/02/16/01/1078021601.db2.gz VOZNYQBCBKPOJS-OALUTQOASA-N 1 3 410.559 0.030 20 0 HCADHO C[C@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N1CCCC1 ZINC000060607810 1079900836 /nfs/dbraw/zinc/90/08/36/1079900836.db2.gz URKVPWWIOORQKN-CQSZACIVSA-N 1 3 403.483 0.695 20 0 HCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000062586651 1079923012 /nfs/dbraw/zinc/92/30/12/1079923012.db2.gz DUFWEFSDOHULQI-OAHLLOKOSA-N 1 3 403.527 0.779 20 0 HCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000062644394 1079924291 /nfs/dbraw/zinc/92/42/91/1079924291.db2.gz BWQRQUYTERMLQG-UHFFFAOYSA-N 1 3 403.527 0.603 20 0 HCADHO CC[NH+]1CCN(CCC(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)CC1 ZINC000462748076 1075510408 /nfs/dbraw/zinc/51/04/08/1075510408.db2.gz GIPABORAVAPRIB-UHFFFAOYSA-N 1 3 411.572 0.493 20 0 HCADHO CN(C)Cc1cccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c1 ZINC000462865421 1075542245 /nfs/dbraw/zinc/54/22/45/1075542245.db2.gz ZLRLXHUQSRBGHG-IBGZPJMESA-N 1 3 414.510 0.979 20 0 HCADHO CN(C)Cc1cccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c1 ZINC000462865422 1075542299 /nfs/dbraw/zinc/54/22/99/1075542299.db2.gz ZLRLXHUQSRBGHG-LJQANCHMSA-N 1 3 414.510 0.979 20 0 HCADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)n1 ZINC000464124185 1075869022 /nfs/dbraw/zinc/86/90/22/1075869022.db2.gz UGZHSJYZWAZZQL-KRWDZBQOSA-N 1 3 400.483 0.589 20 0 HCADHO C[C@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000465518002 1078055047 /nfs/dbraw/zinc/05/50/47/1078055047.db2.gz NOCMQZCYINKKST-GOSISDBHSA-N 1 3 403.575 0.516 20 0 HCADHO C[C@@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)C[NH+]1CCN(C)CC1 ZINC000465518004 1078055108 /nfs/dbraw/zinc/05/51/08/1078055108.db2.gz NOCMQZCYINKKST-SFHVURJKSA-N 1 3 403.575 0.516 20 0 HCADHO C[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)nc1)C[NH+]1CCN(C)CC1 ZINC000465565389 1079026754 /nfs/dbraw/zinc/02/67/54/1079026754.db2.gz JZFIVDDXQUKZND-GOSISDBHSA-N 1 3 403.575 0.516 20 0 HCADHO C[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)nc1)C[NH+]1CCN(C)CC1 ZINC000465565391 1079026620 /nfs/dbraw/zinc/02/66/20/1079026620.db2.gz JZFIVDDXQUKZND-SFHVURJKSA-N 1 3 403.575 0.516 20 0 HCADHO C[C@H](CNC(=O)NCc1cccnc1N1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000465772307 1080333459 /nfs/dbraw/zinc/33/34/59/1080333459.db2.gz QLYJARYWXYFELT-GOSISDBHSA-N 1 3 403.575 0.516 20 0 HCADHO C[C@@H](CNC(=O)NCc1cccnc1N1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000465772310 1080333336 /nfs/dbraw/zinc/33/33/36/1080333336.db2.gz QLYJARYWXYFELT-SFHVURJKSA-N 1 3 403.575 0.516 20 0 HCADHO Cn1ccnc(N2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)c1=O ZINC000465804817 1080345824 /nfs/dbraw/zinc/34/58/24/1080345824.db2.gz BBMXMCGBHSCSFD-UHFFFAOYSA-N 1 3 417.558 0.171 20 0 HCADHO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCO2)n1 ZINC000465807067 1080347280 /nfs/dbraw/zinc/34/72/80/1080347280.db2.gz HCBGQCBBSJGULO-FQEVSTJZSA-N 1 3 419.574 0.864 20 0 HCADHO Cc1nc(C)n(C[C@H]2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCO2)n1 ZINC000465807177 1080347354 /nfs/dbraw/zinc/34/73/54/1080347354.db2.gz HCBGQCBBSJGULO-HXUWFJFHSA-N 1 3 419.574 0.864 20 0 HCADHO Cc1cc(N2CC[C@@H](NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2=O)n(C)n1 ZINC000465811311 1080349864 /nfs/dbraw/zinc/34/98/64/1080349864.db2.gz MELGHOPRTMOBIV-GOSISDBHSA-N 1 3 417.558 0.692 20 0 HCADHO Cc1cc(N2CC[C@H](NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2=O)n(C)n1 ZINC000465812070 1080350552 /nfs/dbraw/zinc/35/05/52/1080350552.db2.gz MELGHOPRTMOBIV-SFHVURJKSA-N 1 3 417.558 0.692 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc(OCC(N)=O)c3)CC2)CC1 ZINC000465816928 1080353446 /nfs/dbraw/zinc/35/34/46/1080353446.db2.gz SLKGBYCIINIETH-UHFFFAOYSA-N 1 3 403.527 0.909 20 0 HCADHO CCN(CC)C(=O)CN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000465817927 1080354930 /nfs/dbraw/zinc/35/49/30/1080354930.db2.gz UATXXDPBIBSQNO-UHFFFAOYSA-N 1 3 422.618 0.741 20 0 HCADHO CC(C)OCCOC[C@@H](O)CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465827119 1080359318 /nfs/dbraw/zinc/35/93/18/1080359318.db2.gz UPSXOLRPYSXKOK-FQEVSTJZSA-N 1 3 414.591 0.989 20 0 HCADHO CC(C)OCCOC[C@H](O)CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000465827120 1080360210 /nfs/dbraw/zinc/36/02/10/1080360210.db2.gz UPSXOLRPYSXKOK-HXUWFJFHSA-N 1 3 414.591 0.989 20 0 HCADHO C[C@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CN1CCN(C)CC1 ZINC000465836072 1080364652 /nfs/dbraw/zinc/36/46/52/1080364652.db2.gz KDEDGHIIJGBAPG-GOSISDBHSA-N 1 3 418.586 0.661 20 0 HCADHO C[C@@H](CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)CN1CCN(C)CC1 ZINC000465836078 1080364632 /nfs/dbraw/zinc/36/46/32/1080364632.db2.gz KDEDGHIIJGBAPG-SFHVURJKSA-N 1 3 418.586 0.661 20 0 HCADHO C[NH+](C)C1(CNC(=O)NCCCCN2CCN(CCO)CC2)Cc2ccccc2C1 ZINC000465923568 1080537339 /nfs/dbraw/zinc/53/73/39/1080537339.db2.gz DZSFPGQOYRCKBZ-UHFFFAOYSA-N 1 3 417.598 0.775 20 0 HCADHO CN1CCC(CNC(=O)NCCCN2CCC[C@@H]2C(N)=O)([NH+]2CCCCC2)CC1 ZINC000466143710 1080942572 /nfs/dbraw/zinc/94/25/72/1080942572.db2.gz KPDOISMEQVQECS-GOSISDBHSA-N 1 3 408.591 0.576 20 0 HCADHO CN1CCC(CNC(=O)NCCCN2CCC[C@H]2C(N)=O)([NH+]2CCCCC2)CC1 ZINC000466143720 1080942704 /nfs/dbraw/zinc/94/27/04/1080942704.db2.gz KPDOISMEQVQECS-SFHVURJKSA-N 1 3 408.591 0.576 20 0 HCADHO COCCN1CC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)o2)C1 ZINC000473693869 1080072326 /nfs/dbraw/zinc/07/23/26/1080072326.db2.gz BICOZDILUUVUDJ-IYBDPMFKSA-N 1 3 408.499 0.181 20 0 HCADHO COCCN1CC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)o2)C1 ZINC000473693869 1080072316 /nfs/dbraw/zinc/07/23/16/1080072316.db2.gz BICOZDILUUVUDJ-IYBDPMFKSA-N 1 3 408.499 0.181 20 0 HCADHO COCCN1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)o2)C1 ZINC000473693869 1080072307 /nfs/dbraw/zinc/07/23/07/1080072307.db2.gz BICOZDILUUVUDJ-IYBDPMFKSA-N 1 3 408.499 0.181 20 0 HCADHO COCCN1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)o2)C1 ZINC000473693869 1080072299 /nfs/dbraw/zinc/07/22/99/1080072299.db2.gz BICOZDILUUVUDJ-IYBDPMFKSA-N 1 3 408.499 0.181 20 0 HCADHO COc1cnccc1N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000474352691 1080243059 /nfs/dbraw/zinc/24/30/59/1080243059.db2.gz UEWAMQQUFAENIP-UHFFFAOYSA-N 1 3 418.542 0.865 20 0 HCADHO CN(CCC[NH+]1CCN(C)CC1)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000492631829 1077303413 /nfs/dbraw/zinc/30/34/13/1077303413.db2.gz TZRPTBYCMJSRMV-UHFFFAOYSA-N 1 3 417.598 0.704 20 0 HCADHO COc1ccc(CN2CCN(C(=O)CN(C)CCC[NH+]3CCN(C)CC3)CC2)cc1 ZINC000492652401 1077304998 /nfs/dbraw/zinc/30/49/98/1077304998.db2.gz CXUPUTRXGOCFSS-UHFFFAOYSA-N 1 3 417.598 0.909 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)CC1 ZINC000493371238 1077343972 /nfs/dbraw/zinc/34/39/72/1077343972.db2.gz UTVYTPBNIOKJTP-RBUKOAKNSA-N 1 3 408.543 0.068 20 0 HCADHO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)nc([C@H](C)N2CCN(C[C@H](C)O)CC2)n1 ZINC000494432762 1077537969 /nfs/dbraw/zinc/53/79/69/1077537969.db2.gz USEVGMQJYCEHJV-FHWLQOOXSA-N 1 3 406.575 0.347 20 0 HCADHO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)nc([C@@H](C)N2CCN(C[C@H](C)O)CC2)n1 ZINC000494432767 1077538235 /nfs/dbraw/zinc/53/82/35/1077538235.db2.gz USEVGMQJYCEHJV-GBESFXJTSA-N 1 3 406.575 0.347 20 0 HCADHO CN(CCNC(=O)C1CC[NH+](CCCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000494547159 1077556365 /nfs/dbraw/zinc/55/63/65/1077556365.db2.gz NTTSCGDIWYWEFG-UHFFFAOYSA-N 1 3 403.527 0.922 20 0 HCADHO CN(CCNC(=O)C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1)Cc1ccccc1 ZINC000494548845 1077556418 /nfs/dbraw/zinc/55/64/18/1077556418.db2.gz TUFZJQBAOKHCAW-NRFANRHFSA-N 1 3 416.566 0.930 20 0 HCADHO CN(CCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1)Cc1ccccc1 ZINC000494548847 1077556177 /nfs/dbraw/zinc/55/61/77/1077556177.db2.gz TUFZJQBAOKHCAW-OAQYLSRUSA-N 1 3 416.566 0.930 20 0 HCADHO CN(CCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1)Cc1ccccc1 ZINC000494550321 1077560112 /nfs/dbraw/zinc/56/01/12/1077560112.db2.gz YCVKFWXKSCSUPY-JOCHJYFZSA-N 1 3 418.582 0.640 20 0 HCADHO CN(CCNC(=O)C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1)Cc1ccccc1 ZINC000494550322 1077560018 /nfs/dbraw/zinc/56/00/18/1077560018.db2.gz YCVKFWXKSCSUPY-QFIPXVFZSA-N 1 3 418.582 0.640 20 0 HCADHO CNS(=O)(=O)CCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494582548 1077562169 /nfs/dbraw/zinc/56/21/69/1077562169.db2.gz PCXNAJIJTDNCKK-UHFFFAOYSA-N 1 3 410.584 0.886 20 0 HCADHO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000494702652 1077591341 /nfs/dbraw/zinc/59/13/41/1077591341.db2.gz JYRSJZNUSDVZFZ-CALCHBBNSA-N 1 3 424.633 0.184 20 0 HCADHO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCCCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000494702652 1077591336 /nfs/dbraw/zinc/59/13/36/1077591336.db2.gz JYRSJZNUSDVZFZ-CALCHBBNSA-N 1 3 424.633 0.184 20 0 HCADHO CNS(=O)(=O)C[C@H]1CCCN1CCCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702652 1077591330 /nfs/dbraw/zinc/59/13/30/1077591330.db2.gz JYRSJZNUSDVZFZ-CALCHBBNSA-N 1 3 424.633 0.184 20 0 HCADHO CNS(=O)(=O)C[C@H]1CCCN1CCCCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702652 1077591324 /nfs/dbraw/zinc/59/13/24/1077591324.db2.gz JYRSJZNUSDVZFZ-CALCHBBNSA-N 1 3 424.633 0.184 20 0 HCADHO CNS(=O)(=O)C[C@H]1CCCN1CCCCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494702653 1077591533 /nfs/dbraw/zinc/59/15/33/1077591533.db2.gz JYRSJZNUSDVZFZ-IAGOWNOFSA-N 1 3 424.633 0.184 20 0 HCADHO CNS(=O)(=O)C[C@H]1CCCN1CCCCC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494702653 1077591527 /nfs/dbraw/zinc/59/15/27/1077591527.db2.gz JYRSJZNUSDVZFZ-IAGOWNOFSA-N 1 3 424.633 0.184 20 0 HCADHO CNS(=O)(=O)C[C@@H]1CCCN1CCCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702654 1077591449 /nfs/dbraw/zinc/59/14/49/1077591449.db2.gz JYRSJZNUSDVZFZ-IRXDYDNUSA-N 1 3 424.633 0.184 20 0 HCADHO CNS(=O)(=O)C[C@@H]1CCCN1CCCCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494702654 1077591440 /nfs/dbraw/zinc/59/14/40/1077591440.db2.gz JYRSJZNUSDVZFZ-IRXDYDNUSA-N 1 3 424.633 0.184 20 0 HCADHO O=C(Cn1nc(C(=O)NCCN2CCCCC2)ccc1=O)NCC[NH+]1CCCCC1 ZINC000495033082 1077706741 /nfs/dbraw/zinc/70/67/41/1077706741.db2.gz XCUJORQVVPUFFU-UHFFFAOYSA-N 1 3 418.542 0.061 20 0 HCADHO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000495175476 1077749333 /nfs/dbraw/zinc/74/93/33/1077749333.db2.gz PPEGQYLURIVIRZ-CABCVRRESA-N 1 3 411.547 0.301 20 0 HCADHO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000495175526 1077749382 /nfs/dbraw/zinc/74/93/82/1077749382.db2.gz PPEGQYLURIVIRZ-GJZGRUSLSA-N 1 3 411.547 0.301 20 0 HCADHO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000495175529 1077749358 /nfs/dbraw/zinc/74/93/58/1077749358.db2.gz PPEGQYLURIVIRZ-HUUCEWRRSA-N 1 3 411.547 0.301 20 0 HCADHO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000495175532 1077749450 /nfs/dbraw/zinc/74/94/50/1077749450.db2.gz PPEGQYLURIVIRZ-LSDHHAIUSA-N 1 3 411.547 0.301 20 0 HCADHO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496261801 1078057816 /nfs/dbraw/zinc/05/78/16/1078057816.db2.gz GAQCJCUALKFACR-UHFFFAOYSA-N 1 3 411.591 0.134 20 0 HCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496262733 1078057758 /nfs/dbraw/zinc/05/77/58/1078057758.db2.gz HOWWIMVUAGDYAH-GOSISDBHSA-N 1 3 411.591 0.088 20 0 HCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496262734 1078057718 /nfs/dbraw/zinc/05/77/18/1078057718.db2.gz HOWWIMVUAGDYAH-SFHVURJKSA-N 1 3 411.591 0.088 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1(C)C ZINC000496265765 1078058705 /nfs/dbraw/zinc/05/87/05/1078058705.db2.gz MDNINNHHVWQBES-HKUYNNGSSA-N 1 3 405.587 0.604 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1(C)C ZINC000496265765 1078058701 /nfs/dbraw/zinc/05/87/01/1078058701.db2.gz MDNINNHHVWQBES-HKUYNNGSSA-N 1 3 405.587 0.604 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1(C)C ZINC000496265772 1078058622 /nfs/dbraw/zinc/05/86/22/1078058622.db2.gz MDNINNHHVWQBES-IEBWSBKVSA-N 1 3 405.587 0.604 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1(C)C ZINC000496265772 1078058618 /nfs/dbraw/zinc/05/86/18/1078058618.db2.gz MDNINNHHVWQBES-IEBWSBKVSA-N 1 3 405.587 0.604 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1(C)C ZINC000496265774 1078058412 /nfs/dbraw/zinc/05/84/12/1078058412.db2.gz MDNINNHHVWQBES-MJGOQNOKSA-N 1 3 405.587 0.604 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1(C)C ZINC000496265774 1078058404 /nfs/dbraw/zinc/05/84/04/1078058404.db2.gz MDNINNHHVWQBES-MJGOQNOKSA-N 1 3 405.587 0.604 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1(C)C ZINC000496265775 1078058567 /nfs/dbraw/zinc/05/85/67/1078058567.db2.gz MDNINNHHVWQBES-PKOBYXMFSA-N 1 3 405.587 0.604 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1(C)C ZINC000496265775 1078058563 /nfs/dbraw/zinc/05/85/63/1078058563.db2.gz MDNINNHHVWQBES-PKOBYXMFSA-N 1 3 405.587 0.604 20 0 HCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496266855 1078058648 /nfs/dbraw/zinc/05/86/48/1078058648.db2.gz OEAZUPFGGVQOIF-UHFFFAOYSA-N 1 3 409.600 0.781 20 0 HCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496266855 1078058641 /nfs/dbraw/zinc/05/86/41/1078058641.db2.gz OEAZUPFGGVQOIF-UHFFFAOYSA-N 1 3 409.600 0.781 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1(C)C ZINC000496267783 1078058972 /nfs/dbraw/zinc/05/89/72/1078058972.db2.gz RVDBJUQBURACIU-UHFFFAOYSA-N 1 3 411.591 0.088 20 0 HCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000496280010 1078059587 /nfs/dbraw/zinc/05/95/87/1078059587.db2.gz BDMOCHICVXTIBN-FQEVSTJZSA-N 1 3 407.603 0.996 20 0 HCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496280010 1078059580 /nfs/dbraw/zinc/05/95/80/1078059580.db2.gz BDMOCHICVXTIBN-FQEVSTJZSA-N 1 3 407.603 0.996 20 0 HCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000496280011 1078059813 /nfs/dbraw/zinc/05/98/13/1078059813.db2.gz BDMOCHICVXTIBN-HXUWFJFHSA-N 1 3 407.603 0.996 20 0 HCADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000496280011 1078059807 /nfs/dbraw/zinc/05/98/07/1078059807.db2.gz BDMOCHICVXTIBN-HXUWFJFHSA-N 1 3 407.603 0.996 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1(C)C ZINC000496281454 1078059520 /nfs/dbraw/zinc/05/95/20/1078059520.db2.gz FVWYOGWGQBTSSH-MOPGFXCFSA-N 1 3 423.602 0.013 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1(C)C ZINC000496281455 1078059705 /nfs/dbraw/zinc/05/97/05/1078059705.db2.gz FVWYOGWGQBTSSH-OALUTQOASA-N 1 3 423.602 0.013 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1(C)C ZINC000496281456 1078059958 /nfs/dbraw/zinc/05/99/58/1078059958.db2.gz FVWYOGWGQBTSSH-RBUKOAKNSA-N 1 3 423.602 0.013 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1(C)C ZINC000496281457 1078060225 /nfs/dbraw/zinc/06/02/25/1078060225.db2.gz FVWYOGWGQBTSSH-RTBURBONSA-N 1 3 423.602 0.013 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000496281587 1078059781 /nfs/dbraw/zinc/05/97/81/1078059781.db2.gz GJUGINSSQGDITL-UHFFFAOYSA-N 1 3 416.570 0.556 20 0 HCADHO C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000496282578 1078060112 /nfs/dbraw/zinc/06/01/12/1078060112.db2.gz JLLLGNAWQOQQPZ-MSOLQXFVSA-N 1 3 407.603 0.898 20 0 HCADHO C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000496282578 1078060105 /nfs/dbraw/zinc/06/01/05/1078060105.db2.gz JLLLGNAWQOQQPZ-MSOLQXFVSA-N 1 3 407.603 0.898 20 0 HCADHO C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000496282579 1078059948 /nfs/dbraw/zinc/05/99/48/1078059948.db2.gz JLLLGNAWQOQQPZ-QZTJIDSGSA-N 1 3 407.603 0.898 20 0 HCADHO C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000496282579 1078059942 /nfs/dbraw/zinc/05/99/42/1078059942.db2.gz JLLLGNAWQOQQPZ-QZTJIDSGSA-N 1 3 407.603 0.898 20 0 HCADHO C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000496282580 1078059978 /nfs/dbraw/zinc/05/99/78/1078059978.db2.gz JLLLGNAWQOQQPZ-ROUUACIJSA-N 1 3 407.603 0.898 20 0 HCADHO C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000496282580 1078059976 /nfs/dbraw/zinc/05/99/76/1078059976.db2.gz JLLLGNAWQOQQPZ-ROUUACIJSA-N 1 3 407.603 0.898 20 0 HCADHO C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000496282581 1078060183 /nfs/dbraw/zinc/06/01/83/1078060183.db2.gz JLLLGNAWQOQQPZ-ZWKOTPCHSA-N 1 3 407.603 0.898 20 0 HCADHO C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000496282581 1078060179 /nfs/dbraw/zinc/06/01/79/1078060179.db2.gz JLLLGNAWQOQQPZ-ZWKOTPCHSA-N 1 3 407.603 0.898 20 0 HCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496330151 1078062503 /nfs/dbraw/zinc/06/25/03/1078062503.db2.gz ODMWWOJDGIUEKJ-AZUAARDMSA-N 1 3 415.582 0.765 20 0 HCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496330151 1078062500 /nfs/dbraw/zinc/06/25/00/1078062500.db2.gz ODMWWOJDGIUEKJ-AZUAARDMSA-N 1 3 415.582 0.765 20 0 HCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496330157 1078062641 /nfs/dbraw/zinc/06/26/41/1078062641.db2.gz ODMWWOJDGIUEKJ-ICSRJNTNSA-N 1 3 415.582 0.765 20 0 HCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496330157 1078062637 /nfs/dbraw/zinc/06/26/37/1078062637.db2.gz ODMWWOJDGIUEKJ-ICSRJNTNSA-N 1 3 415.582 0.765 20 0 HCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496330158 1078062584 /nfs/dbraw/zinc/06/25/84/1078062584.db2.gz ODMWWOJDGIUEKJ-QUCCMNQESA-N 1 3 415.582 0.765 20 0 HCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496330158 1078062580 /nfs/dbraw/zinc/06/25/80/1078062580.db2.gz ODMWWOJDGIUEKJ-QUCCMNQESA-N 1 3 415.582 0.765 20 0 HCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496330159 1078062690 /nfs/dbraw/zinc/06/26/90/1078062690.db2.gz ODMWWOJDGIUEKJ-UYAOXDASSA-N 1 3 415.582 0.765 20 0 HCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496330159 1078062684 /nfs/dbraw/zinc/06/26/84/1078062684.db2.gz ODMWWOJDGIUEKJ-UYAOXDASSA-N 1 3 415.582 0.765 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC000496335062 1078065279 /nfs/dbraw/zinc/06/52/79/1078065279.db2.gz ZDEVDSOMYZUOTE-UHFFFAOYSA-N 1 3 403.571 0.549 20 0 HCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000496373480 1078066925 /nfs/dbraw/zinc/06/69/25/1078066925.db2.gz AJQWQICMJBBXRW-UHFFFAOYSA-N 1 3 407.559 0.620 20 0 HCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000496373480 1078066920 /nfs/dbraw/zinc/06/69/20/1078066920.db2.gz AJQWQICMJBBXRW-UHFFFAOYSA-N 1 3 407.559 0.620 20 0 HCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496380522 1078066701 /nfs/dbraw/zinc/06/67/01/1078066701.db2.gz QWLBYAADXVNERA-UHFFFAOYSA-N 1 3 421.561 0.858 20 0 HCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496380522 1078066698 /nfs/dbraw/zinc/06/66/98/1078066698.db2.gz QWLBYAADXVNERA-UHFFFAOYSA-N 1 3 421.561 0.858 20 0 HCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496381227 1078066864 /nfs/dbraw/zinc/06/68/64/1078066864.db2.gz RPSFQRHWQQVLQC-UHFFFAOYSA-N 1 3 421.561 0.858 20 0 HCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496381227 1078066860 /nfs/dbraw/zinc/06/68/60/1078066860.db2.gz RPSFQRHWQQVLQC-UHFFFAOYSA-N 1 3 421.561 0.858 20 0 HCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496392367 1078067894 /nfs/dbraw/zinc/06/78/94/1078067894.db2.gz CETVFUIPGMJUHJ-UHFFFAOYSA-N 1 3 421.561 0.858 20 0 HCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496392367 1078067888 /nfs/dbraw/zinc/06/78/88/1078067888.db2.gz CETVFUIPGMJUHJ-UHFFFAOYSA-N 1 3 421.561 0.858 20 0 HCADHO CN1CCN(CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1(C)C ZINC000496411430 1078069390 /nfs/dbraw/zinc/06/93/90/1078069390.db2.gz MKSVFMFIFFRNTG-UHFFFAOYSA-N 1 3 423.602 0.232 20 0 HCADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000497488033 1078257898 /nfs/dbraw/zinc/25/78/98/1078257898.db2.gz JRQQYRLNOMVNNI-PMACEKPBSA-N 1 3 411.591 0.271 20 0 HCADHO CCN1CCN(CCC[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000497521487 1078270308 /nfs/dbraw/zinc/27/03/08/1078270308.db2.gz RTATUCQJDUVFSR-UHFFFAOYSA-N 1 3 412.604 0.797 20 0 HCADHO CN(CCCN1CCN(C)CC1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000497643745 1078299734 /nfs/dbraw/zinc/29/97/34/1078299734.db2.gz SQSRGMQKWIJAHJ-UHFFFAOYSA-N 1 3 418.586 0.757 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000497685316 1078306662 /nfs/dbraw/zinc/30/66/62/1078306662.db2.gz CFMFCZQBEVOUCB-AABGKKOBSA-N 1 3 423.602 0.996 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000497685317 1078306756 /nfs/dbraw/zinc/30/67/56/1078306756.db2.gz CFMFCZQBEVOUCB-HSALFYBXSA-N 1 3 423.602 0.996 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000497685318 1078306602 /nfs/dbraw/zinc/30/66/02/1078306602.db2.gz CFMFCZQBEVOUCB-SLFFLAALSA-N 1 3 423.602 0.996 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000497685319 1078306724 /nfs/dbraw/zinc/30/67/24/1078306724.db2.gz CFMFCZQBEVOUCB-UFYCRDLUSA-N 1 3 423.602 0.996 20 0 HCADHO O[C@H](CN1CCCC[C@H]1CN1CCOCC1)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000497762958 1078321273 /nfs/dbraw/zinc/32/12/73/1078321273.db2.gz IZXLPBRGCMFZJS-JKHIJQBDSA-N 1 3 424.630 0.721 20 0 HCADHO O[C@H](CN1CCCC[C@H]1CN1CCOCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000497762958 1078321270 /nfs/dbraw/zinc/32/12/70/1078321270.db2.gz IZXLPBRGCMFZJS-JKHIJQBDSA-N 1 3 424.630 0.721 20 0 HCADHO O[C@@H](CN1CCCC[C@@H]1CN1CCOCC1)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000497762958 1078321265 /nfs/dbraw/zinc/32/12/65/1078321265.db2.gz IZXLPBRGCMFZJS-JKHIJQBDSA-N 1 3 424.630 0.721 20 0 HCADHO O[C@@H](CN1CCCC[C@@H]1CN1CCOCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000497762958 1078321263 /nfs/dbraw/zinc/32/12/63/1078321263.db2.gz IZXLPBRGCMFZJS-JKHIJQBDSA-N 1 3 424.630 0.721 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)CC1 ZINC000497796271 1078324944 /nfs/dbraw/zinc/32/49/44/1078324944.db2.gz XKUHQYFLMLRLGL-UHFFFAOYSA-N 1 3 403.531 0.842 20 0 HCADHO C([C@H]1CC[N@H+](CC2(CN3CC[C@H](CN4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845742 1078332507 /nfs/dbraw/zinc/33/25/07/1078332507.db2.gz CMUQLCLDILBWOW-FGZHOGPDSA-N 1 3 422.614 0.311 20 0 HCADHO C([C@H]1CC[N@@H+](CC2(CN3CC[C@H](CN4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845742 1078332503 /nfs/dbraw/zinc/33/25/03/1078332503.db2.gz CMUQLCLDILBWOW-FGZHOGPDSA-N 1 3 422.614 0.311 20 0 HCADHO C([C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845744 1078332434 /nfs/dbraw/zinc/33/24/34/1078332434.db2.gz CMUQLCLDILBWOW-VXKWHMMOSA-N 1 3 422.614 0.311 20 0 HCADHO C([C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)COC2)C1)N1CCOCC1 ZINC000497845744 1078332430 /nfs/dbraw/zinc/33/24/30/1078332430.db2.gz CMUQLCLDILBWOW-VXKWHMMOSA-N 1 3 422.614 0.311 20 0 HCADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000497866778 1078337161 /nfs/dbraw/zinc/33/71/61/1078337161.db2.gz FUQKZYNCMZFNER-HNNXBMFYSA-N 1 3 412.604 0.795 20 0 HCADHO CCN1CCN([C@H](C)C[NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000497866779 1078337281 /nfs/dbraw/zinc/33/72/81/1078337281.db2.gz FUQKZYNCMZFNER-OAHLLOKOSA-N 1 3 412.604 0.795 20 0 HCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498421034 1078579995 /nfs/dbraw/zinc/57/99/95/1078579995.db2.gz DVGVDMFZSUNQPK-FQEVSTJZSA-N 1 3 423.602 0.184 20 0 HCADHO CC1=CCN(CCNC(=O)C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC000498939801 1078961064 /nfs/dbraw/zinc/96/10/64/1078961064.db2.gz PEEPQVVNTQZOSB-FQEVSTJZSA-N 1 3 421.586 0.008 20 0 HCADHO CC1=CCN(CCNC(=O)C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC000498939801 1078961047 /nfs/dbraw/zinc/96/10/47/1078961047.db2.gz PEEPQVVNTQZOSB-FQEVSTJZSA-N 1 3 421.586 0.008 20 0 HCADHO CC1=CCN(CCNC(=O)C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC000498939804 1078960896 /nfs/dbraw/zinc/96/08/96/1078960896.db2.gz PEEPQVVNTQZOSB-HXUWFJFHSA-N 1 3 421.586 0.008 20 0 HCADHO CC1=CCN(CCNC(=O)C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC000498939804 1078960894 /nfs/dbraw/zinc/96/08/94/1078960894.db2.gz PEEPQVVNTQZOSB-HXUWFJFHSA-N 1 3 421.586 0.008 20 0 HCADHO CC1=CCN(CCNC(=O)C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000498947842 1078967568 /nfs/dbraw/zinc/96/75/68/1078967568.db2.gz JYDAYFJNENTMEZ-UHFFFAOYSA-N 1 3 405.587 0.821 20 0 HCADHO CC1=CCN(CCNC(=O)C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000498947842 1078967558 /nfs/dbraw/zinc/96/75/58/1078967558.db2.gz JYDAYFJNENTMEZ-UHFFFAOYSA-N 1 3 405.587 0.821 20 0 HCADHO COC[C@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](COC)C3)CC2)C1 ZINC000499053091 1079025481 /nfs/dbraw/zinc/02/54/81/1079025481.db2.gz HQYPMZCXQCAPFZ-PMACEKPBSA-N 1 3 424.586 0.374 20 0 HCADHO COC[C@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](COC)C3)CC2)C1 ZINC000499053091 1079025477 /nfs/dbraw/zinc/02/54/77/1079025477.db2.gz HQYPMZCXQCAPFZ-PMACEKPBSA-N 1 3 424.586 0.374 20 0 HCADHO COC[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H](COC)C3)CC2)C1 ZINC000499053092 1079025365 /nfs/dbraw/zinc/02/53/65/1079025365.db2.gz HQYPMZCXQCAPFZ-WOJBJXKFSA-N 1 3 424.586 0.374 20 0 HCADHO COC[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](COC)C3)CC2)C1 ZINC000499053092 1079025356 /nfs/dbraw/zinc/02/53/56/1079025356.db2.gz HQYPMZCXQCAPFZ-WOJBJXKFSA-N 1 3 424.586 0.374 20 0 HCADHO COC(=O)CCN1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000499466954 1080419113 /nfs/dbraw/zinc/41/91/13/1080419113.db2.gz MPKVDSWCGHIPCJ-KRWDZBQOSA-N 1 3 409.531 0.008 20 0 HCADHO COC(=O)CCN1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000499466955 1080418946 /nfs/dbraw/zinc/41/89/46/1080418946.db2.gz MPKVDSWCGHIPCJ-QGZVFWFLSA-N 1 3 409.531 0.008 20 0 HCADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000499600341 1080776946 /nfs/dbraw/zinc/77/69/46/1080776946.db2.gz NGQVNIYYKVRJLS-IBGZPJMESA-N 1 3 404.559 0.989 20 0 HCADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000499600341 1080776939 /nfs/dbraw/zinc/77/69/39/1080776939.db2.gz NGQVNIYYKVRJLS-IBGZPJMESA-N 1 3 404.559 0.989 20 0 HCADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000499600342 1080777133 /nfs/dbraw/zinc/77/71/33/1080777133.db2.gz NGQVNIYYKVRJLS-LJQANCHMSA-N 1 3 404.559 0.989 20 0 HCADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000499600342 1080777126 /nfs/dbraw/zinc/77/71/26/1080777126.db2.gz NGQVNIYYKVRJLS-LJQANCHMSA-N 1 3 404.559 0.989 20 0 HCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000507932246 1075835972 /nfs/dbraw/zinc/83/59/72/1075835972.db2.gz AMCSWAYSRWEXDL-AYHJJNSGSA-N 1 3 407.559 0.131 20 0 HCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000507932246 1075835971 /nfs/dbraw/zinc/83/59/71/1075835971.db2.gz AMCSWAYSRWEXDL-AYHJJNSGSA-N 1 3 407.559 0.131 20 0 HCADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000509717632 1074692743 /nfs/dbraw/zinc/69/27/43/1074692743.db2.gz VUYXCSSABILMAW-BGYRXZFFSA-N 1 3 402.539 0.661 20 0 HCADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000509717632 1074692738 /nfs/dbraw/zinc/69/27/38/1074692738.db2.gz VUYXCSSABILMAW-BGYRXZFFSA-N 1 3 402.539 0.661 20 0 HCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)c2)CC1 ZINC000534526038 1074645776 /nfs/dbraw/zinc/64/57/76/1074645776.db2.gz KAOVOYRAMUPAQY-UHFFFAOYSA-N 1 3 424.505 0.368 20 0 HCADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000534718452 1074696570 /nfs/dbraw/zinc/69/65/70/1074696570.db2.gz YYVVJIXOHGTYBH-JOCHJYFZSA-N 1 3 403.571 0.949 20 0 HCADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000534718453 1074696651 /nfs/dbraw/zinc/69/66/51/1074696651.db2.gz YYVVJIXOHGTYBH-QFIPXVFZSA-N 1 3 403.571 0.949 20 0 HCADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000534810364 1074705677 /nfs/dbraw/zinc/70/56/77/1074705677.db2.gz BMBXLLSLIKIVDR-UAFMIMERSA-N 1 3 424.586 0.467 20 0 HCADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000534810364 1074705658 /nfs/dbraw/zinc/70/56/58/1074705658.db2.gz BMBXLLSLIKIVDR-UAFMIMERSA-N 1 3 424.586 0.467 20 0 HCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000534810365 1074705841 /nfs/dbraw/zinc/70/58/41/1074705841.db2.gz BMBXLLSLIKIVDR-VNTMZGSJSA-N 1 3 424.586 0.467 20 0 HCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000534810365 1074705834 /nfs/dbraw/zinc/70/58/34/1074705834.db2.gz BMBXLLSLIKIVDR-VNTMZGSJSA-N 1 3 424.586 0.467 20 0 HCADHO C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CCN(C)CC1 ZINC000535191044 1074763518 /nfs/dbraw/zinc/76/35/18/1074763518.db2.gz KQXRLWBXHBJFTP-CBQMWWCCSA-N 1 3 406.619 0.822 20 0 HCADHO C[C@@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CN1CCN(C)CC1 ZINC000535191044 1074763509 /nfs/dbraw/zinc/76/35/09/1074763509.db2.gz KQXRLWBXHBJFTP-CBQMWWCCSA-N 1 3 406.619 0.822 20 0 HCADHO C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)CN1CCN(C)CC1 ZINC000535191058 1074763657 /nfs/dbraw/zinc/76/36/57/1074763657.db2.gz KQXRLWBXHBJFTP-MQEZQYLSSA-N 1 3 406.619 0.822 20 0 HCADHO C[C@H](CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)CN1CCN(C)CC1 ZINC000535191058 1074763649 /nfs/dbraw/zinc/76/36/49/1074763649.db2.gz KQXRLWBXHBJFTP-MQEZQYLSSA-N 1 3 406.619 0.822 20 0 HCADHO O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571549 1075095618 /nfs/dbraw/zinc/09/56/18/1075095618.db2.gz OWKKUTQOYOQYAO-MOPGFXCFSA-N 1 3 420.473 0.957 20 0 HCADHO O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571550 1075095625 /nfs/dbraw/zinc/09/56/25/1075095625.db2.gz OWKKUTQOYOQYAO-OALUTQOASA-N 1 3 420.473 0.957 20 0 HCADHO O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571551 1075095600 /nfs/dbraw/zinc/09/56/00/1075095600.db2.gz OWKKUTQOYOQYAO-RBUKOAKNSA-N 1 3 420.473 0.957 20 0 HCADHO O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000535571552 1075095554 /nfs/dbraw/zinc/09/55/54/1075095554.db2.gz OWKKUTQOYOQYAO-RTBURBONSA-N 1 3 420.473 0.957 20 0 HCADHO CCNS(=O)(=O)[C@@H]1CCN(CCCCC[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000540008817 1075536204 /nfs/dbraw/zinc/53/62/04/1075536204.db2.gz VWZPLHMTKLYFKU-IAGOWNOFSA-N 1 3 424.633 0.184 20 0 HCADHO CCNS(=O)(=O)[C@@H]1CCN(CCCCC[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000540008817 1075536199 /nfs/dbraw/zinc/53/61/99/1075536199.db2.gz VWZPLHMTKLYFKU-IAGOWNOFSA-N 1 3 424.633 0.184 20 0 HCADHO CCNS(=O)(=O)[C@H]1CCN(CCCCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000540008819 1075536286 /nfs/dbraw/zinc/53/62/86/1075536286.db2.gz VWZPLHMTKLYFKU-IRXDYDNUSA-N 1 3 424.633 0.184 20 0 HCADHO CCNS(=O)(=O)[C@H]1CCN(CCCCC[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000540008819 1075536281 /nfs/dbraw/zinc/53/62/81/1075536281.db2.gz VWZPLHMTKLYFKU-IRXDYDNUSA-N 1 3 424.633 0.184 20 0 HCADHO O=C(NCCCCN1CCN(CCO)CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540080627 1075559348 /nfs/dbraw/zinc/55/93/48/1075559348.db2.gz VXTWRTHWCLQCCZ-UHFFFAOYSA-N 1 3 418.586 0.987 20 0 HCADHO C[C@@H]1CN(CCOC2CCN([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@@H](C)O1 ZINC000540164331 1075579350 /nfs/dbraw/zinc/57/93/50/1075579350.db2.gz MFIUHVCXYZVLHY-LMMKCTJWSA-N 1 3 410.559 0.266 20 0 HCADHO C[C@@H]1CN(CCOC2CCN([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@H](C)O1 ZINC000540164338 1075579458 /nfs/dbraw/zinc/57/94/58/1075579458.db2.gz MFIUHVCXYZVLHY-SCTDSRPQSA-N 1 3 410.559 0.266 20 0 HCADHO C[C@@H]1CN(CCOC2CCN([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@@H](C)O1 ZINC000540164342 1075579405 /nfs/dbraw/zinc/57/94/05/1075579405.db2.gz MFIUHVCXYZVLHY-ZHALLVOQSA-N 1 3 410.559 0.266 20 0 HCADHO C[C@@H]1CN(CCOC2CCN([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C[C@H](C)O1 ZINC000540164345 1075579477 /nfs/dbraw/zinc/57/94/77/1075579477.db2.gz MFIUHVCXYZVLHY-ZIFCJYIRSA-N 1 3 410.559 0.266 20 0 HCADHO C[C@@H]1CN(CCOC2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000540245151 1075589432 /nfs/dbraw/zinc/58/94/32/1075589432.db2.gz OWSPUAYIILISDD-HDICACEKSA-N 1 3 407.559 0.969 20 0 HCADHO C[C@@H]1CN(CCOC2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000540245152 1075589807 /nfs/dbraw/zinc/58/98/07/1075589807.db2.gz OWSPUAYIILISDD-QZTJIDSGSA-N 1 3 407.559 0.969 20 0 HCADHO C[C@H]1CN(CCOC2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000540245219 1075589880 /nfs/dbraw/zinc/58/98/80/1075589880.db2.gz OWSPUAYIILISDD-ROUUACIJSA-N 1 3 407.559 0.969 20 0 HCADHO CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1 ZINC000540383071 1075646533 /nfs/dbraw/zinc/64/65/33/1075646533.db2.gz JMEVTFLAWLWROQ-KRWDZBQOSA-N 1 3 419.574 0.621 20 0 HCADHO CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1 ZINC000540383074 1075646500 /nfs/dbraw/zinc/64/65/00/1075646500.db2.gz JMEVTFLAWLWROQ-QGZVFWFLSA-N 1 3 419.574 0.621 20 0 HCADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CCN(C)CC1 ZINC000542850491 1080356653 /nfs/dbraw/zinc/35/66/53/1080356653.db2.gz PITRBRWFFAXPEL-GHTZIAJQSA-N 1 3 403.571 0.936 20 0 HCADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CCN(C)CC1 ZINC000542850491 1080356648 /nfs/dbraw/zinc/35/66/48/1080356648.db2.gz PITRBRWFFAXPEL-GHTZIAJQSA-N 1 3 403.571 0.936 20 0 HCADHO C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CCN(C)CC1 ZINC000542850492 1080356788 /nfs/dbraw/zinc/35/67/88/1080356788.db2.gz PITRBRWFFAXPEL-NQIIRXRSSA-N 1 3 403.571 0.936 20 0 HCADHO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CCN(C)CC1 ZINC000542850492 1080356780 /nfs/dbraw/zinc/35/67/80/1080356780.db2.gz PITRBRWFFAXPEL-NQIIRXRSSA-N 1 3 403.571 0.936 20 0 HCADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CN1CCN(C)CC1 ZINC000542850493 1080356957 /nfs/dbraw/zinc/35/69/57/1080356957.db2.gz PITRBRWFFAXPEL-RXVVDRJESA-N 1 3 403.571 0.936 20 0 HCADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CN1CCN(C)CC1 ZINC000542850493 1080356954 /nfs/dbraw/zinc/35/69/54/1080356954.db2.gz PITRBRWFFAXPEL-RXVVDRJESA-N 1 3 403.571 0.936 20 0 HCADHO C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CN1CCN(C)CC1 ZINC000542850494 1080356904 /nfs/dbraw/zinc/35/69/04/1080356904.db2.gz PITRBRWFFAXPEL-WIYYLYMNSA-N 1 3 403.571 0.936 20 0 HCADHO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CN1CCN(C)CC1 ZINC000542850494 1080356898 /nfs/dbraw/zinc/35/68/98/1080356898.db2.gz PITRBRWFFAXPEL-WIYYLYMNSA-N 1 3 403.571 0.936 20 0 HCADHO C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(O)(CN4CCOCC4)CC3)c2)CC1 ZINC000543298311 1081099394 /nfs/dbraw/zinc/09/93/94/1081099394.db2.gz ZZJZYJAVBXIPQJ-UHFFFAOYSA-N 1 3 416.566 0.733 20 0 HCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000556064932 1078404701 /nfs/dbraw/zinc/40/47/01/1078404701.db2.gz RZVSFLSYHJUKHC-BGYRXZFFSA-N 1 3 407.603 0.852 20 0 HCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000556064932 1078404698 /nfs/dbraw/zinc/40/46/98/1078404698.db2.gz RZVSFLSYHJUKHC-BGYRXZFFSA-N 1 3 407.603 0.852 20 0 HCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000556064935 1078404718 /nfs/dbraw/zinc/40/47/18/1078404718.db2.gz RZVSFLSYHJUKHC-PMACEKPBSA-N 1 3 407.603 0.852 20 0 HCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000556064937 1078404626 /nfs/dbraw/zinc/40/46/26/1078404626.db2.gz RZVSFLSYHJUKHC-WOJBJXKFSA-N 1 3 407.603 0.852 20 0 HCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCN1CCc2ccccc2C1 ZINC000556088242 1078418273 /nfs/dbraw/zinc/41/82/73/1078418273.db2.gz GIZAVJYGRGPXNS-UHFFFAOYSA-N 1 3 415.582 0.645 20 0 HCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCN1CCc2ccccc2C1 ZINC000556088242 1078418271 /nfs/dbraw/zinc/41/82/71/1078418271.db2.gz GIZAVJYGRGPXNS-UHFFFAOYSA-N 1 3 415.582 0.645 20 0 HCADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000556114848 1078438184 /nfs/dbraw/zinc/43/81/84/1078438184.db2.gz MHQINJSMFQWVLP-UHFFFAOYSA-N 1 3 401.555 0.868 20 0 HCADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000556114848 1078438183 /nfs/dbraw/zinc/43/81/83/1078438183.db2.gz MHQINJSMFQWVLP-UHFFFAOYSA-N 1 3 401.555 0.868 20 0 HCADHO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000556122411 1078447750 /nfs/dbraw/zinc/44/77/50/1078447750.db2.gz FKIHRCDDMUEWRF-UHFFFAOYSA-N 1 3 416.566 0.856 20 0 HCADHO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000556122411 1078447749 /nfs/dbraw/zinc/44/77/49/1078447749.db2.gz FKIHRCDDMUEWRF-UHFFFAOYSA-N 1 3 416.566 0.856 20 0 HCADHO C[N@@H+](CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCCC1 ZINC000556124897 1078448686 /nfs/dbraw/zinc/44/86/86/1078448686.db2.gz KLSUJBGDLINJCI-UHFFFAOYSA-N 1 3 421.586 0.524 20 0 HCADHO C[N@H+](CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCCC1 ZINC000556124897 1078448683 /nfs/dbraw/zinc/44/86/83/1078448683.db2.gz KLSUJBGDLINJCI-UHFFFAOYSA-N 1 3 421.586 0.524 20 0 HCADHO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000556167753 1078471214 /nfs/dbraw/zinc/47/12/14/1078471214.db2.gz SVUCOZQTUUBNKF-NRFANRHFSA-N 1 3 415.582 0.911 20 0 HCADHO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000556167754 1078471158 /nfs/dbraw/zinc/47/11/58/1078471158.db2.gz SVUCOZQTUUBNKF-OAQYLSRUSA-N 1 3 415.582 0.911 20 0 HCADHO CCc1nccn1C[C@@H]1CCCN1C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000556168474 1078472617 /nfs/dbraw/zinc/47/26/17/1078472617.db2.gz PWDMVIOFLXERCQ-IBGZPJMESA-N 1 3 418.586 0.970 20 0 HCADHO CCc1nccn1C[C@@H]1CCCN1C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000556168474 1078472616 /nfs/dbraw/zinc/47/26/16/1078472616.db2.gz PWDMVIOFLXERCQ-IBGZPJMESA-N 1 3 418.586 0.970 20 0 HCADHO CCc1nccn1C[C@H]1CCCN1C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000556168475 1078472381 /nfs/dbraw/zinc/47/23/81/1078472381.db2.gz PWDMVIOFLXERCQ-LJQANCHMSA-N 1 3 418.586 0.970 20 0 HCADHO CCc1nccn1C[C@H]1CCCN1C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000556168475 1078472375 /nfs/dbraw/zinc/47/23/75/1078472375.db2.gz PWDMVIOFLXERCQ-LJQANCHMSA-N 1 3 418.586 0.970 20 0 HCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000556170082 1078473055 /nfs/dbraw/zinc/47/30/55/1078473055.db2.gz GEKAICXSDSGKIS-IBGZPJMESA-N 1 3 421.586 0.381 20 0 HCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000556170082 1078473048 /nfs/dbraw/zinc/47/30/48/1078473048.db2.gz GEKAICXSDSGKIS-IBGZPJMESA-N 1 3 421.586 0.381 20 0 HCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000556170083 1078472863 /nfs/dbraw/zinc/47/28/63/1078472863.db2.gz GEKAICXSDSGKIS-LJQANCHMSA-N 1 3 421.586 0.381 20 0 HCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000556170083 1078472860 /nfs/dbraw/zinc/47/28/60/1078472860.db2.gz GEKAICXSDSGKIS-LJQANCHMSA-N 1 3 421.586 0.381 20 0 HCADHO C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)N1CCc2ccccc2C1 ZINC000556172029 1078478648 /nfs/dbraw/zinc/47/86/48/1078478648.db2.gz SXAUJHYWQDCTIO-GOSISDBHSA-N 1 3 402.539 0.778 20 0 HCADHO C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)N1CCc2ccccc2C1 ZINC000556172042 1078478867 /nfs/dbraw/zinc/47/88/67/1078478867.db2.gz SXAUJHYWQDCTIO-SFHVURJKSA-N 1 3 402.539 0.778 20 0 HCADHO CN(C)[C@]1(CNC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCSC1 ZINC000556200577 1078525212 /nfs/dbraw/zinc/52/52/12/1078525212.db2.gz GDBUGCDMPSUCCH-FQEVSTJZSA-N 1 3 408.568 0.797 20 0 HCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCSC1 ZINC000556200580 1078525309 /nfs/dbraw/zinc/52/53/09/1078525309.db2.gz GDBUGCDMPSUCCH-HXUWFJFHSA-N 1 3 408.568 0.797 20 0 HCADHO CN(C)[C@]1(CNC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCSC1 ZINC000556205106 1078529314 /nfs/dbraw/zinc/52/93/14/1078529314.db2.gz GDWWAKZRWLNRMR-FQEVSTJZSA-N 1 3 408.568 0.797 20 0 HCADHO CN(C)[C@@]1(CNC(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCSC1 ZINC000556205108 1078529176 /nfs/dbraw/zinc/52/91/76/1078529176.db2.gz GDWWAKZRWLNRMR-HXUWFJFHSA-N 1 3 408.568 0.797 20 0 HCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000556205523 1078519598 /nfs/dbraw/zinc/51/95/98/1078519598.db2.gz DCNNWRCHDMPHSE-FXAWDEMLSA-N 1 3 411.616 0.167 20 0 HCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000556205530 1078519527 /nfs/dbraw/zinc/51/95/27/1078519527.db2.gz DCNNWRCHDMPHSE-PXNSSMCTSA-N 1 3 411.616 0.167 20 0 HCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000556205533 1078519690 /nfs/dbraw/zinc/51/96/90/1078519690.db2.gz DCNNWRCHDMPHSE-XLIONFOSSA-N 1 3 411.616 0.167 20 0 HCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000556205536 1078518972 /nfs/dbraw/zinc/51/89/72/1078518972.db2.gz DCNNWRCHDMPHSE-YLJYHZDGSA-N 1 3 411.616 0.167 20 0 HCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000556244067 1078552623 /nfs/dbraw/zinc/55/26/23/1078552623.db2.gz WGQMQVCHBFMPFR-LMMKCTJWSA-N 1 3 406.571 0.935 20 0 HCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000556244067 1078552617 /nfs/dbraw/zinc/55/26/17/1078552617.db2.gz WGQMQVCHBFMPFR-LMMKCTJWSA-N 1 3 406.571 0.935 20 0 HCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244068 1078552370 /nfs/dbraw/zinc/55/23/70/1078552370.db2.gz WGQMQVCHBFMPFR-SCTDSRPQSA-N 1 3 406.571 0.935 20 0 HCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244068 1078552364 /nfs/dbraw/zinc/55/23/64/1078552364.db2.gz WGQMQVCHBFMPFR-SCTDSRPQSA-N 1 3 406.571 0.935 20 0 HCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000556244069 1078552502 /nfs/dbraw/zinc/55/25/02/1078552502.db2.gz WGQMQVCHBFMPFR-ZHALLVOQSA-N 1 3 406.571 0.935 20 0 HCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000556244069 1078552497 /nfs/dbraw/zinc/55/24/97/1078552497.db2.gz WGQMQVCHBFMPFR-ZHALLVOQSA-N 1 3 406.571 0.935 20 0 HCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244070 1078552474 /nfs/dbraw/zinc/55/24/74/1078552474.db2.gz WGQMQVCHBFMPFR-ZIFCJYIRSA-N 1 3 406.571 0.935 20 0 HCADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000556244070 1078552470 /nfs/dbraw/zinc/55/24/70/1078552470.db2.gz WGQMQVCHBFMPFR-ZIFCJYIRSA-N 1 3 406.571 0.935 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556247289 1078555933 /nfs/dbraw/zinc/55/59/33/1078555933.db2.gz MKBALDCRSMAHGA-IBGZPJMESA-N 1 3 417.554 0.423 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556247290 1078555893 /nfs/dbraw/zinc/55/58/93/1078555893.db2.gz MKBALDCRSMAHGA-LJQANCHMSA-N 1 3 417.554 0.423 20 0 HCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000556309106 1078595712 /nfs/dbraw/zinc/59/57/12/1078595712.db2.gz ASATXQYAEIPMLN-UHFFFAOYSA-N 1 3 404.555 0.803 20 0 HCADHO C[C@H](CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)CN1CCN(C)CC1 ZINC000556354905 1078652408 /nfs/dbraw/zinc/65/24/08/1078652408.db2.gz MVHMAGLOUCJFDY-GOSISDBHSA-N 1 3 403.571 0.407 20 0 HCADHO C[C@@H](CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)CN1CCN(C)CC1 ZINC000556354906 1078652481 /nfs/dbraw/zinc/65/24/81/1078652481.db2.gz MVHMAGLOUCJFDY-SFHVURJKSA-N 1 3 403.571 0.407 20 0 HCADHO C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CN1CCN(C)CC1 ZINC000556355952 1078654438 /nfs/dbraw/zinc/65/44/38/1078654438.db2.gz HRLSOUQCQFTIPD-CEXWTWQISA-N 1 3 409.619 0.859 20 0 HCADHO C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CN1CCN(C)CC1 ZINC000556355952 1078654434 /nfs/dbraw/zinc/65/44/34/1078654434.db2.gz HRLSOUQCQFTIPD-CEXWTWQISA-N 1 3 409.619 0.859 20 0 HCADHO C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)CN1CCN(C)CC1 ZINC000556355954 1078643913 /nfs/dbraw/zinc/64/39/13/1078643913.db2.gz HRLSOUQCQFTIPD-GBESFXJTSA-N 1 3 409.619 0.859 20 0 HCADHO C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)CN1CCN(C)CC1 ZINC000556355955 1078643729 /nfs/dbraw/zinc/64/37/29/1078643729.db2.gz HRLSOUQCQFTIPD-GUDVDZBRSA-N 1 3 409.619 0.859 20 0 HCADHO C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CN1CCN(C)CC1 ZINC000556355957 1078643766 /nfs/dbraw/zinc/64/37/66/1078643766.db2.gz HRLSOUQCQFTIPD-OTWHNJEPSA-N 1 3 409.619 0.859 20 0 HCADHO C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CN1CCN(C)CC1 ZINC000556355957 1078643756 /nfs/dbraw/zinc/64/37/56/1078643756.db2.gz HRLSOUQCQFTIPD-OTWHNJEPSA-N 1 3 409.619 0.859 20 0 HCADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000556356847 1078646187 /nfs/dbraw/zinc/64/61/87/1078646187.db2.gz WKJXMDMQDNNJIN-IBGZPJMESA-N 1 3 407.603 0.711 20 0 HCADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000556356848 1078646055 /nfs/dbraw/zinc/64/60/55/1078646055.db2.gz WKJXMDMQDNNJIN-LJQANCHMSA-N 1 3 407.603 0.711 20 0 HCADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000556369215 1078667277 /nfs/dbraw/zinc/66/72/77/1078667277.db2.gz HANRMSKVUIHDAT-IBGZPJMESA-N 1 3 409.619 0.860 20 0 HCADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000556369219 1078667198 /nfs/dbraw/zinc/66/71/98/1078667198.db2.gz HANRMSKVUIHDAT-LJQANCHMSA-N 1 3 409.619 0.860 20 0 HCADHO COc1c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc(Cl)cc1C(N)=O ZINC000556561071 1078836378 /nfs/dbraw/zinc/83/63/78/1078836378.db2.gz PUIBONQEFHWXQU-UHFFFAOYSA-N 1 3 413.906 0.338 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000556641123 1078884999 /nfs/dbraw/zinc/88/49/99/1078884999.db2.gz OUEXCDDPCIVPFI-KRWDZBQOSA-N 1 3 409.575 0.424 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000556641127 1078884949 /nfs/dbraw/zinc/88/49/49/1078884949.db2.gz OUEXCDDPCIVPFI-QGZVFWFLSA-N 1 3 409.575 0.424 20 0 HCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000556642914 1078887471 /nfs/dbraw/zinc/88/74/71/1078887471.db2.gz YULNWKMEAIGRFR-IBGZPJMESA-N 1 3 407.603 0.992 20 0 HCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000556642915 1078887386 /nfs/dbraw/zinc/88/73/86/1078887386.db2.gz YULNWKMEAIGRFR-LJQANCHMSA-N 1 3 407.603 0.992 20 0 HCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000556650499 1078895488 /nfs/dbraw/zinc/89/54/88/1078895488.db2.gz VSTWFEOVOANISY-UHFFFAOYSA-N 1 3 407.559 0.132 20 0 HCADHO Cc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000556653431 1078897546 /nfs/dbraw/zinc/89/75/46/1078897546.db2.gz GWKALSXPLPGNDI-IBGZPJMESA-N 1 3 403.571 0.856 20 0 HCADHO Cc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000556653431 1078897543 /nfs/dbraw/zinc/89/75/43/1078897543.db2.gz GWKALSXPLPGNDI-IBGZPJMESA-N 1 3 403.571 0.856 20 0 HCADHO Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000556653442 1078897606 /nfs/dbraw/zinc/89/76/06/1078897606.db2.gz GWKALSXPLPGNDI-LJQANCHMSA-N 1 3 403.571 0.856 20 0 HCADHO Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000556653442 1078897605 /nfs/dbraw/zinc/89/76/05/1078897605.db2.gz GWKALSXPLPGNDI-LJQANCHMSA-N 1 3 403.571 0.856 20 0 HCADHO CN1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564360035 1078652490 /nfs/dbraw/zinc/65/24/90/1078652490.db2.gz YSAGAQFTWKTLEC-NRFANRHFSA-N 1 3 415.582 0.769 20 0 HCADHO CN1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564360035 1078652487 /nfs/dbraw/zinc/65/24/87/1078652487.db2.gz YSAGAQFTWKTLEC-NRFANRHFSA-N 1 3 415.582 0.769 20 0 HCADHO CN1CCN(CCCCNC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564360037 1078652440 /nfs/dbraw/zinc/65/24/40/1078652440.db2.gz YSAGAQFTWKTLEC-OAQYLSRUSA-N 1 3 415.582 0.769 20 0 HCADHO CN1CCN(CCCCNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564360037 1078652436 /nfs/dbraw/zinc/65/24/36/1078652436.db2.gz YSAGAQFTWKTLEC-OAQYLSRUSA-N 1 3 415.582 0.769 20 0 HCADHO CN(CCCN(C)CC(=O)N1CCN(C(=O)c2cccs2)CC1)CC[NH+](C)C ZINC000572558695 1078917722 /nfs/dbraw/zinc/91/77/22/1078917722.db2.gz KNXPBVAAXSQLBE-UHFFFAOYSA-N 1 3 409.600 0.848 20 0 HCADHO CN(C)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCC[C@@H]([NH+](C)C)C3)c2)C1 ZINC000599211957 1073582281 /nfs/dbraw/zinc/58/22/81/1073582281.db2.gz WRJAJLHDQFKLFN-CVEARBPZSA-N 1 3 411.572 0.896 20 0 HCADHO CN(C)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCC[C@H]([NH+](C)C)C3)c2)C1 ZINC000599211958 1073582549 /nfs/dbraw/zinc/58/25/49/1073582549.db2.gz WRJAJLHDQFKLFN-HOTGVXAUSA-N 1 3 411.572 0.896 20 0 HCADHO CN(C)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCC[C@@H]([NH+](C)C)C3)c2)C1 ZINC000599211959 1073582355 /nfs/dbraw/zinc/58/23/55/1073582355.db2.gz WRJAJLHDQFKLFN-HZPDHXFCSA-N 1 3 411.572 0.896 20 0 HCADHO CN(C)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCC[C@H]([NH+](C)C)C3)c2)C1 ZINC000599211960 1073582507 /nfs/dbraw/zinc/58/25/07/1073582507.db2.gz WRJAJLHDQFKLFN-JKSUJKDBSA-N 1 3 411.572 0.896 20 0 HCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241752 1073495276 /nfs/dbraw/zinc/49/52/76/1073495276.db2.gz LIBUYQOAWNGDGI-BHIYHBOVSA-N 1 3 419.570 0.260 20 0 HCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241752 1073495266 /nfs/dbraw/zinc/49/52/66/1073495266.db2.gz LIBUYQOAWNGDGI-BHIYHBOVSA-N 1 3 419.570 0.260 20 0 HCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241753 1073495772 /nfs/dbraw/zinc/49/57/72/1073495772.db2.gz LIBUYQOAWNGDGI-QRQLOZEOSA-N 1 3 419.570 0.260 20 0 HCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241753 1073495763 /nfs/dbraw/zinc/49/57/63/1073495763.db2.gz LIBUYQOAWNGDGI-QRQLOZEOSA-N 1 3 419.570 0.260 20 0 HCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241754 1073495644 /nfs/dbraw/zinc/49/56/44/1073495644.db2.gz LIBUYQOAWNGDGI-QXAKKESOSA-N 1 3 419.570 0.260 20 0 HCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000603241754 1073495635 /nfs/dbraw/zinc/49/56/35/1073495635.db2.gz LIBUYQOAWNGDGI-QXAKKESOSA-N 1 3 419.570 0.260 20 0 HCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241755 1073495446 /nfs/dbraw/zinc/49/54/46/1073495446.db2.gz LIBUYQOAWNGDGI-UHOSZYNNSA-N 1 3 419.570 0.260 20 0 HCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1=O ZINC000603241755 1073495431 /nfs/dbraw/zinc/49/54/31/1073495431.db2.gz LIBUYQOAWNGDGI-UHOSZYNNSA-N 1 3 419.570 0.260 20 0 HCADHO CCN1CCN(CCNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1 ZINC000603285344 1073503374 /nfs/dbraw/zinc/50/33/74/1073503374.db2.gz QQUGIRUJFYGOLY-UHFFFAOYSA-N 1 3 411.554 0.931 20 0 HCADHO CCN1CCN(CCNC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC000603285344 1073503353 /nfs/dbraw/zinc/50/33/53/1073503353.db2.gz QQUGIRUJFYGOLY-UHFFFAOYSA-N 1 3 411.554 0.931 20 0 HCADHO CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000603533507 1073556832 /nfs/dbraw/zinc/55/68/32/1073556832.db2.gz KGQHWLAUCVCBFL-KRWDZBQOSA-N 1 3 401.577 0.268 20 0 HCADHO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000603533514 1073556787 /nfs/dbraw/zinc/55/67/87/1073556787.db2.gz KGQHWLAUCVCBFL-QGZVFWFLSA-N 1 3 401.577 0.268 20 0 HCADHO Cc1c(C(=O)N2CCN(CC[NH+](C)C)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000603552541 1073560573 /nfs/dbraw/zinc/56/05/73/1073560573.db2.gz FCOBEJMNDOUYEI-UHFFFAOYSA-N 1 3 411.554 0.883 20 0 HCADHO NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603820384 1073635794 /nfs/dbraw/zinc/63/57/94/1073635794.db2.gz MORQHYULBULLIY-DENIHFKCSA-N 1 3 400.523 0.564 20 0 HCADHO NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603820384 1073635775 /nfs/dbraw/zinc/63/57/75/1073635775.db2.gz MORQHYULBULLIY-DENIHFKCSA-N 1 3 400.523 0.564 20 0 HCADHO NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603820389 1073635982 /nfs/dbraw/zinc/63/59/82/1073635982.db2.gz MORQHYULBULLIY-KNQAVFIVSA-N 1 3 400.523 0.564 20 0 HCADHO NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603820389 1073635975 /nfs/dbraw/zinc/63/59/75/1073635975.db2.gz MORQHYULBULLIY-KNQAVFIVSA-N 1 3 400.523 0.564 20 0 HCADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603820391 1073636712 /nfs/dbraw/zinc/63/67/12/1073636712.db2.gz MORQHYULBULLIY-SIKLNZKXSA-N 1 3 400.523 0.564 20 0 HCADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603820391 1073636704 /nfs/dbraw/zinc/63/67/04/1073636704.db2.gz MORQHYULBULLIY-SIKLNZKXSA-N 1 3 400.523 0.564 20 0 HCADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000603820392 1073637065 /nfs/dbraw/zinc/63/70/65/1073637065.db2.gz MORQHYULBULLIY-UGKGYDQZSA-N 1 3 400.523 0.564 20 0 HCADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603820392 1073637046 /nfs/dbraw/zinc/63/70/46/1073637046.db2.gz MORQHYULBULLIY-UGKGYDQZSA-N 1 3 400.523 0.564 20 0 HCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2)CC1 ZINC000604164704 1073725978 /nfs/dbraw/zinc/72/59/78/1073725978.db2.gz KILFGXUGANALBK-IBGZPJMESA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2)CC1 ZINC000604164704 1073725967 /nfs/dbraw/zinc/72/59/67/1073725967.db2.gz KILFGXUGANALBK-IBGZPJMESA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2)CC1 ZINC000604164714 1073725893 /nfs/dbraw/zinc/72/58/93/1073725893.db2.gz KILFGXUGANALBK-LJQANCHMSA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2)CC1 ZINC000604164714 1073725882 /nfs/dbraw/zinc/72/58/82/1073725882.db2.gz KILFGXUGANALBK-LJQANCHMSA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2)CC1 ZINC000604169341 1073730458 /nfs/dbraw/zinc/73/04/58/1073730458.db2.gz SLEZIGJLPWAFGD-IBGZPJMESA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2)CC1 ZINC000604169341 1073730444 /nfs/dbraw/zinc/73/04/44/1073730444.db2.gz SLEZIGJLPWAFGD-IBGZPJMESA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2)CC1 ZINC000604169343 1073730352 /nfs/dbraw/zinc/73/03/52/1073730352.db2.gz SLEZIGJLPWAFGD-LJQANCHMSA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2)CC1 ZINC000604169343 1073730336 /nfs/dbraw/zinc/73/03/36/1073730336.db2.gz SLEZIGJLPWAFGD-LJQANCHMSA-N 1 3 415.586 0.801 20 0 HCADHO CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604173128 1073731035 /nfs/dbraw/zinc/73/10/35/1073731035.db2.gz BFUXVYYOJOBMHO-GOSISDBHSA-N 1 3 408.591 0.445 20 0 HCADHO CCCNC(=O)CN1CCC(NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604173131 1073731151 /nfs/dbraw/zinc/73/11/51/1073731151.db2.gz BFUXVYYOJOBMHO-SFHVURJKSA-N 1 3 408.591 0.445 20 0 HCADHO CN1CCN(c2ncccc2CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604182973 1073724920 /nfs/dbraw/zinc/72/49/20/1073724920.db2.gz ROXAQCWQZRXKFQ-IBGZPJMESA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccnc3N3CCN(C)CC3)C2)CC1 ZINC000604182973 1073724907 /nfs/dbraw/zinc/72/49/07/1073724907.db2.gz ROXAQCWQZRXKFQ-IBGZPJMESA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccnc3N3CCN(C)CC3)C2)CC1 ZINC000604182973 1073724896 /nfs/dbraw/zinc/72/48/96/1073724896.db2.gz ROXAQCWQZRXKFQ-IBGZPJMESA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCN(c2ncccc2CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604182974 1073725011 /nfs/dbraw/zinc/72/50/11/1073725011.db2.gz ROXAQCWQZRXKFQ-LJQANCHMSA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccnc3N3CCN(C)CC3)C2)CC1 ZINC000604182974 1073725006 /nfs/dbraw/zinc/72/50/06/1073725006.db2.gz ROXAQCWQZRXKFQ-LJQANCHMSA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccnc3N3CCN(C)CC3)C2)CC1 ZINC000604182974 1073725000 /nfs/dbraw/zinc/72/50/00/1073725000.db2.gz ROXAQCWQZRXKFQ-LJQANCHMSA-N 1 3 415.586 0.801 20 0 HCADHO CN1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000604209542 1073754285 /nfs/dbraw/zinc/75/42/85/1073754285.db2.gz QBRZWAIDMNBWIQ-IBGZPJMESA-N 1 3 420.602 0.351 20 0 HCADHO CN1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000604209543 1073754646 /nfs/dbraw/zinc/75/46/46/1073754646.db2.gz QBRZWAIDMNBWIQ-LJQANCHMSA-N 1 3 420.602 0.351 20 0 HCADHO CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)CC1 ZINC000604648138 1073841269 /nfs/dbraw/zinc/84/12/69/1073841269.db2.gz VPMUOQQOFIQOGH-FQEVSTJZSA-N 1 3 422.618 0.251 20 0 HCADHO CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)CC1 ZINC000604648139 1073841128 /nfs/dbraw/zinc/84/11/28/1073841128.db2.gz VPMUOQQOFIQOGH-HXUWFJFHSA-N 1 3 422.618 0.251 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604649534 1073841605 /nfs/dbraw/zinc/84/16/05/1073841605.db2.gz LEPPQQOECBYOCK-MOPGFXCFSA-N 1 3 408.591 0.351 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604649534 1073841604 /nfs/dbraw/zinc/84/16/04/1073841604.db2.gz LEPPQQOECBYOCK-MOPGFXCFSA-N 1 3 408.591 0.351 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604649535 1073841766 /nfs/dbraw/zinc/84/17/66/1073841766.db2.gz LEPPQQOECBYOCK-OALUTQOASA-N 1 3 408.591 0.351 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604649535 1073841763 /nfs/dbraw/zinc/84/17/63/1073841763.db2.gz LEPPQQOECBYOCK-OALUTQOASA-N 1 3 408.591 0.351 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604649536 1073841711 /nfs/dbraw/zinc/84/17/11/1073841711.db2.gz LEPPQQOECBYOCK-RBUKOAKNSA-N 1 3 408.591 0.351 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604649536 1073841709 /nfs/dbraw/zinc/84/17/09/1073841709.db2.gz LEPPQQOECBYOCK-RBUKOAKNSA-N 1 3 408.591 0.351 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604649537 1073841549 /nfs/dbraw/zinc/84/15/49/1073841549.db2.gz LEPPQQOECBYOCK-RTBURBONSA-N 1 3 408.591 0.351 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604649537 1073841546 /nfs/dbraw/zinc/84/15/46/1073841546.db2.gz LEPPQQOECBYOCK-RTBURBONSA-N 1 3 408.591 0.351 20 0 HCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682483 1073846145 /nfs/dbraw/zinc/84/61/45/1073846145.db2.gz MVHMRBDDJJINQW-GOSISDBHSA-N 1 3 417.554 0.934 20 0 HCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604682483 1073846142 /nfs/dbraw/zinc/84/61/42/1073846142.db2.gz MVHMRBDDJJINQW-GOSISDBHSA-N 1 3 417.554 0.934 20 0 HCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682484 1073846185 /nfs/dbraw/zinc/84/61/85/1073846185.db2.gz MVHMRBDDJJINQW-SFHVURJKSA-N 1 3 417.554 0.934 20 0 HCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604682484 1073846184 /nfs/dbraw/zinc/84/61/84/1073846184.db2.gz MVHMRBDDJJINQW-SFHVURJKSA-N 1 3 417.554 0.934 20 0 HCADHO Cn1cc(N2CC[C@@H](NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2=O)cn1 ZINC000605174236 1073896665 /nfs/dbraw/zinc/89/66/65/1073896665.db2.gz RCMMZHGWYAKJIZ-GOSISDBHSA-N 1 3 403.531 0.383 20 0 HCADHO Cn1cc(N2CC[C@H](NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2=O)cn1 ZINC000605174237 1073896528 /nfs/dbraw/zinc/89/65/28/1073896528.db2.gz RCMMZHGWYAKJIZ-SFHVURJKSA-N 1 3 403.531 0.383 20 0 HCADHO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000605218022 1073905571 /nfs/dbraw/zinc/90/55/71/1073905571.db2.gz ZMXVNVGSUNZNHA-IBGZPJMESA-N 1 3 417.602 0.917 20 0 HCADHO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000605218023 1073905486 /nfs/dbraw/zinc/90/54/86/1073905486.db2.gz ZMXVNVGSUNZNHA-LJQANCHMSA-N 1 3 417.602 0.917 20 0 HCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605239988 1073911536 /nfs/dbraw/zinc/91/15/36/1073911536.db2.gz MKEBEPCOOXHONZ-IBGZPJMESA-N 1 3 415.538 0.923 20 0 HCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000605239989 1073911743 /nfs/dbraw/zinc/91/17/43/1073911743.db2.gz MKEBEPCOOXHONZ-LJQANCHMSA-N 1 3 415.538 0.923 20 0 HCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605240149 1073911901 /nfs/dbraw/zinc/91/19/01/1073911901.db2.gz ABBNXDFTBKGFNE-HNNXBMFYSA-N 1 3 403.483 0.695 20 0 HCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000605240150 1073911987 /nfs/dbraw/zinc/91/19/87/1073911987.db2.gz ABBNXDFTBKGFNE-OAHLLOKOSA-N 1 3 403.483 0.695 20 0 HCADHO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCN3CCCC3)c2)CC1 ZINC000605240518 1073914544 /nfs/dbraw/zinc/91/45/44/1073914544.db2.gz GZHYJDYMZHRIQR-UHFFFAOYSA-N 1 3 401.511 0.534 20 0 HCADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000605247667 1073922662 /nfs/dbraw/zinc/92/26/62/1073922662.db2.gz DFHYATYVHBQCDG-UHFFFAOYSA-N 1 3 403.527 0.779 20 0 HCADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000605247667 1073922659 /nfs/dbraw/zinc/92/26/59/1073922659.db2.gz DFHYATYVHBQCDG-UHFFFAOYSA-N 1 3 403.527 0.779 20 0 HCADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[N@@H+](C)C1CC1 ZINC000605249543 1073926530 /nfs/dbraw/zinc/92/65/30/1073926530.db2.gz LYCYOVIVPPVGLQ-HNNXBMFYSA-N 1 3 415.538 0.921 20 0 HCADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[N@H+](C)C1CC1 ZINC000605249543 1073926524 /nfs/dbraw/zinc/92/65/24/1073926524.db2.gz LYCYOVIVPPVGLQ-HNNXBMFYSA-N 1 3 415.538 0.921 20 0 HCADHO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[N@@H+](C)C1CC1 ZINC000605249544 1073926333 /nfs/dbraw/zinc/92/63/33/1073926333.db2.gz LYCYOVIVPPVGLQ-OAHLLOKOSA-N 1 3 415.538 0.921 20 0 HCADHO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[N@H+](C)C1CC1 ZINC000605249544 1073926327 /nfs/dbraw/zinc/92/63/27/1073926327.db2.gz LYCYOVIVPPVGLQ-OAHLLOKOSA-N 1 3 415.538 0.921 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403828 1073987877 /nfs/dbraw/zinc/98/78/77/1073987877.db2.gz LIGMXNUWESQEHJ-DENIHFKCSA-N 1 3 402.539 0.682 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403828 1073987862 /nfs/dbraw/zinc/98/78/62/1073987862.db2.gz LIGMXNUWESQEHJ-DENIHFKCSA-N 1 3 402.539 0.682 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403829 1073988058 /nfs/dbraw/zinc/98/80/58/1073988058.db2.gz LIGMXNUWESQEHJ-KNQAVFIVSA-N 1 3 402.539 0.682 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403829 1073988048 /nfs/dbraw/zinc/98/80/48/1073988048.db2.gz LIGMXNUWESQEHJ-KNQAVFIVSA-N 1 3 402.539 0.682 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403830 1073988138 /nfs/dbraw/zinc/98/81/38/1073988138.db2.gz LIGMXNUWESQEHJ-SIKLNZKXSA-N 1 3 402.539 0.682 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403830 1073988132 /nfs/dbraw/zinc/98/81/32/1073988132.db2.gz LIGMXNUWESQEHJ-SIKLNZKXSA-N 1 3 402.539 0.682 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000605403831 1073987769 /nfs/dbraw/zinc/98/77/69/1073987769.db2.gz LIGMXNUWESQEHJ-UGKGYDQZSA-N 1 3 402.539 0.682 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605403831 1073987746 /nfs/dbraw/zinc/98/77/46/1073987746.db2.gz LIGMXNUWESQEHJ-UGKGYDQZSA-N 1 3 402.539 0.682 20 0 HCADHO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000605431603 1073994059 /nfs/dbraw/zinc/99/40/59/1073994059.db2.gz VSWHBKKQULSQRE-KRWDZBQOSA-N 1 3 415.538 0.780 20 0 HCADHO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000605431603 1073994050 /nfs/dbraw/zinc/99/40/50/1073994050.db2.gz VSWHBKKQULSQRE-KRWDZBQOSA-N 1 3 415.538 0.780 20 0 HCADHO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000605431604 1073994177 /nfs/dbraw/zinc/99/41/77/1073994177.db2.gz VSWHBKKQULSQRE-QGZVFWFLSA-N 1 3 415.538 0.780 20 0 HCADHO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000605431604 1073994172 /nfs/dbraw/zinc/99/41/72/1073994172.db2.gz VSWHBKKQULSQRE-QGZVFWFLSA-N 1 3 415.538 0.780 20 0 HCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000605607505 1074025898 /nfs/dbraw/zinc/02/58/98/1074025898.db2.gz JEHCSXRKJOGGID-GOSISDBHSA-N 1 3 407.559 0.437 20 0 HCADHO O=C(CN1CCCC1)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605607509 1074026063 /nfs/dbraw/zinc/02/60/63/1074026063.db2.gz JEHCSXRKJOGGID-SFHVURJKSA-N 1 3 407.559 0.437 20 0 HCADHO COCCN1CC[C@H](NC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883763 1074035273 /nfs/dbraw/zinc/03/52/73/1074035273.db2.gz PDCPTEFNSSOJII-PMACEKPBSA-N 1 3 417.554 0.904 20 0 HCADHO COCCN1CC[C@H](NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883763 1074035261 /nfs/dbraw/zinc/03/52/61/1074035261.db2.gz PDCPTEFNSSOJII-PMACEKPBSA-N 1 3 417.554 0.904 20 0 HCADHO COCCN1CC[C@H](NC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883784 1074035153 /nfs/dbraw/zinc/03/51/53/1074035153.db2.gz PDCPTEFNSSOJII-UXHICEINSA-N 1 3 417.554 0.904 20 0 HCADHO COCCN1CC[C@H](NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883784 1074035144 /nfs/dbraw/zinc/03/51/44/1074035144.db2.gz PDCPTEFNSSOJII-UXHICEINSA-N 1 3 417.554 0.904 20 0 HCADHO COCCN1CC[C@@H](NC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883796 1074034431 /nfs/dbraw/zinc/03/44/31/1074034431.db2.gz PDCPTEFNSSOJII-VQTJNVASSA-N 1 3 417.554 0.904 20 0 HCADHO COCCN1CC[C@@H](NC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000605883796 1074034423 /nfs/dbraw/zinc/03/44/23/1074034423.db2.gz PDCPTEFNSSOJII-VQTJNVASSA-N 1 3 417.554 0.904 20 0 HCADHO COCCN1CC[C@@H](NC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883803 1074034545 /nfs/dbraw/zinc/03/45/45/1074034545.db2.gz PDCPTEFNSSOJII-WOJBJXKFSA-N 1 3 417.554 0.904 20 0 HCADHO COCCN1CC[C@@H](NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000605883803 1074034533 /nfs/dbraw/zinc/03/45/33/1074034533.db2.gz PDCPTEFNSSOJII-WOJBJXKFSA-N 1 3 417.554 0.904 20 0 HCADHO CCN1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000605916616 1074043046 /nfs/dbraw/zinc/04/30/46/1074043046.db2.gz OJIMZRHNKAIBIM-IBGZPJMESA-N 1 3 402.543 0.832 20 0 HCADHO CCN1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000605916616 1074043042 /nfs/dbraw/zinc/04/30/42/1074043042.db2.gz OJIMZRHNKAIBIM-IBGZPJMESA-N 1 3 402.543 0.832 20 0 HCADHO CCN1CCN(C(=O)c2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000605916620 1074043182 /nfs/dbraw/zinc/04/31/82/1074043182.db2.gz OJIMZRHNKAIBIM-LJQANCHMSA-N 1 3 402.543 0.832 20 0 HCADHO CCN1CCN(C(=O)c2ccc(NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000605916620 1074043174 /nfs/dbraw/zinc/04/31/74/1074043174.db2.gz OJIMZRHNKAIBIM-LJQANCHMSA-N 1 3 402.543 0.832 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605967327 1074051266 /nfs/dbraw/zinc/05/12/66/1074051266.db2.gz FHFURWWOCBPQJW-HKUYNNGSSA-N 1 3 409.575 0.729 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605967328 1074051573 /nfs/dbraw/zinc/05/15/73/1074051573.db2.gz FHFURWWOCBPQJW-IEBWSBKVSA-N 1 3 409.575 0.729 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605967329 1074051297 /nfs/dbraw/zinc/05/12/97/1074051297.db2.gz FHFURWWOCBPQJW-MJGOQNOKSA-N 1 3 409.575 0.729 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605967331 1074051550 /nfs/dbraw/zinc/05/15/50/1074051550.db2.gz FHFURWWOCBPQJW-PKOBYXMFSA-N 1 3 409.575 0.729 20 0 HCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000605973011 1074045913 /nfs/dbraw/zinc/04/59/13/1074045913.db2.gz JIGPSLVZMWUMSA-UHFFFAOYSA-N 1 3 409.575 0.683 20 0 HCADHO CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000606107833 1074119759 /nfs/dbraw/zinc/11/97/59/1074119759.db2.gz XKOAZLASHCBEGD-UHFFFAOYSA-N 1 3 410.522 0.808 20 0 HCADHO C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000606115142 1074126943 /nfs/dbraw/zinc/12/69/43/1074126943.db2.gz AOSKOJXNEIFYFV-UHFFFAOYSA-N 1 3 415.538 0.780 20 0 HCADHO Cc1noc(CN2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)n1 ZINC000606499984 1074184808 /nfs/dbraw/zinc/18/48/08/1074184808.db2.gz VSHGTKMOWCWPMP-UHFFFAOYSA-N 1 3 405.547 0.764 20 0 HCADHO CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000606720258 1074215943 /nfs/dbraw/zinc/21/59/43/1074215943.db2.gz STCQBYFHDVXRIW-UHFFFAOYSA-N 1 3 405.543 0.628 20 0 HCADHO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)CN1CCOCC1 ZINC000606750363 1074223611 /nfs/dbraw/zinc/22/36/11/1074223611.db2.gz OBZPHEMPUUCYNC-GOSISDBHSA-N 1 3 417.554 0.457 20 0 HCADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)CN1CCOCC1 ZINC000606750365 1074223696 /nfs/dbraw/zinc/22/36/96/1074223696.db2.gz OBZPHEMPUUCYNC-SFHVURJKSA-N 1 3 417.554 0.457 20 0 HCADHO OCCN1CCCN(c2nc3ccccc3c(N3CCC[N@@H+](CCO)CC3)n2)CC1 ZINC000606892938 1074244223 /nfs/dbraw/zinc/24/42/23/1074244223.db2.gz TVSSAIPSXPBDDJ-UHFFFAOYSA-N 1 3 414.554 0.639 20 0 HCADHO OCCN1CCCN(c2nc3ccccc3c(N3CCC[N@H+](CCO)CC3)n2)CC1 ZINC000606892938 1074244213 /nfs/dbraw/zinc/24/42/13/1074244213.db2.gz TVSSAIPSXPBDDJ-UHFFFAOYSA-N 1 3 414.554 0.639 20 0 HCADHO CS(=O)(=O)N[C@@H]1CCCN(CCCCC[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000607151130 1074277733 /nfs/dbraw/zinc/27/77/33/1074277733.db2.gz FVIBEFXMMZFEBQ-IAGOWNOFSA-N 1 3 424.633 0.184 20 0 HCADHO CS(=O)(=O)N[C@@H]1CCCN(CCCCC[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000607151130 1074277722 /nfs/dbraw/zinc/27/77/22/1074277722.db2.gz FVIBEFXMMZFEBQ-IAGOWNOFSA-N 1 3 424.633 0.184 20 0 HCADHO CS(=O)(=O)N[C@H]1CCCN(CCCCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151131 1074277872 /nfs/dbraw/zinc/27/78/72/1074277872.db2.gz FVIBEFXMMZFEBQ-IRXDYDNUSA-N 1 3 424.633 0.184 20 0 HCADHO CS(=O)(=O)N[C@H]1CCCN(CCCCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151131 1074277869 /nfs/dbraw/zinc/27/78/69/1074277869.db2.gz FVIBEFXMMZFEBQ-IRXDYDNUSA-N 1 3 424.633 0.184 20 0 HCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)c(C)c2)CC1 ZINC000607269284 1074300392 /nfs/dbraw/zinc/30/03/92/1074300392.db2.gz AQJQVIDMWRESQT-UHFFFAOYSA-N 1 3 417.554 0.648 20 0 HCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406162 1074327730 /nfs/dbraw/zinc/32/77/30/1074327730.db2.gz ZXFWOLBDHURQEP-JOCHJYFZSA-N 1 3 403.571 0.949 20 0 HCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406162 1074327718 /nfs/dbraw/zinc/32/77/18/1074327718.db2.gz ZXFWOLBDHURQEP-JOCHJYFZSA-N 1 3 403.571 0.949 20 0 HCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000607406163 1074327876 /nfs/dbraw/zinc/32/78/76/1074327876.db2.gz ZXFWOLBDHURQEP-QFIPXVFZSA-N 1 3 403.571 0.949 20 0 HCADHO CN1CCN(C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406163 1074327872 /nfs/dbraw/zinc/32/78/72/1074327872.db2.gz ZXFWOLBDHURQEP-QFIPXVFZSA-N 1 3 403.571 0.949 20 0 HCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000607754059 1074364842 /nfs/dbraw/zinc/36/48/42/1074364842.db2.gz ZEXDJKYKPHCSMV-GOSISDBHSA-N 1 3 409.619 0.955 20 0 HCADHO CCN1CCN(C(=O)[C@H](C)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000607754060 1074364648 /nfs/dbraw/zinc/36/46/48/1074364648.db2.gz ZEXDJKYKPHCSMV-SFHVURJKSA-N 1 3 409.619 0.955 20 0 HCADHO CCN1CCN(C(=O)CC2CCN([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)CC1 ZINC000608018051 1074382870 /nfs/dbraw/zinc/38/28/70/1074382870.db2.gz TYAGHRLCRGCXJC-IBGZPJMESA-N 1 3 421.586 0.332 20 0 HCADHO CCN1CCN(C(=O)CC2CCN([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)CC1 ZINC000608018053 1074382963 /nfs/dbraw/zinc/38/29/63/1074382963.db2.gz TYAGHRLCRGCXJC-LJQANCHMSA-N 1 3 421.586 0.332 20 0 HCADHO CCn1nc2c(cc1=O)CN(C/C=C/C[N@H+]1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096038 1074393361 /nfs/dbraw/zinc/39/33/61/1074393361.db2.gz IIALASOCVPJCTK-AATRIKPKSA-N 1 3 410.522 0.812 20 0 HCADHO CCn1nc2c(cc1=O)CN(C/C=C/C[N@@H+]1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096038 1074393350 /nfs/dbraw/zinc/39/33/50/1074393350.db2.gz IIALASOCVPJCTK-AATRIKPKSA-N 1 3 410.522 0.812 20 0 HCADHO CCn1nc2c(cc1=O)CN(C/C=C\C[N@H+]1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096039 1074393171 /nfs/dbraw/zinc/39/31/71/1074393171.db2.gz IIALASOCVPJCTK-WAYWQWQTSA-N 1 3 410.522 0.812 20 0 HCADHO CCn1nc2c(cc1=O)CN(C/C=C\C[N@@H+]1CCc3nn(CC)c(=O)cc3C1)CC2 ZINC000608096039 1074393163 /nfs/dbraw/zinc/39/31/63/1074393163.db2.gz IIALASOCVPJCTK-WAYWQWQTSA-N 1 3 410.522 0.812 20 0 HCADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423660 1074436075 /nfs/dbraw/zinc/43/60/75/1074436075.db2.gz LHYPSJUDQFKKQF-BEFAXECRSA-N 1 3 417.558 0.772 20 0 HCADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423661 1074435994 /nfs/dbraw/zinc/43/59/94/1074435994.db2.gz LHYPSJUDQFKKQF-DNVCBOLYSA-N 1 3 417.558 0.772 20 0 HCADHO C[C@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423662 1074436051 /nfs/dbraw/zinc/43/60/51/1074436051.db2.gz LHYPSJUDQFKKQF-HNAYVOBHSA-N 1 3 417.558 0.772 20 0 HCADHO C[C@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608423663 1074436135 /nfs/dbraw/zinc/43/61/35/1074436135.db2.gz LHYPSJUDQFKKQF-KXBFYZLASA-N 1 3 417.558 0.772 20 0 HCADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)N1CCCC1 ZINC000616363710 1078744171 /nfs/dbraw/zinc/74/41/71/1078744171.db2.gz GJGCNDXVNCARAL-INIZCTEOSA-N 1 3 415.538 0.923 20 0 HCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000616831727 1078776078 /nfs/dbraw/zinc/77/60/78/1078776078.db2.gz AWIYVCDIIFPTKQ-UHFFFAOYSA-N 1 3 417.554 0.935 20 0 HCADHO COC(=O)c1c(F)cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000619833535 1078947686 /nfs/dbraw/zinc/94/76/86/1078947686.db2.gz FQUGGYCOCHTTAB-UHFFFAOYSA-N 1 3 400.426 0.642 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)CC2)CC1 ZINC000622946664 1079163485 /nfs/dbraw/zinc/16/34/85/1079163485.db2.gz WAJFUYVAUADWRF-GOSISDBHSA-N 1 3 415.604 0.658 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3CNS(C)(=O)=O)CC2)CC1 ZINC000622946665 1079163320 /nfs/dbraw/zinc/16/33/20/1079163320.db2.gz WAJFUYVAUADWRF-SFHVURJKSA-N 1 3 415.604 0.658 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000622946679 1079163386 /nfs/dbraw/zinc/16/33/86/1079163386.db2.gz ZYBIIPIKICZBER-INIZCTEOSA-N 1 3 401.577 0.268 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)CC2)CC1 ZINC000622946680 1079163518 /nfs/dbraw/zinc/16/35/18/1079163518.db2.gz ZYBIIPIKICZBER-MRXNPFEDSA-N 1 3 401.577 0.268 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000624247746 1079294856 /nfs/dbraw/zinc/29/48/56/1079294856.db2.gz BLDSPBYTZJITAU-UHFFFAOYSA-N 1 3 410.540 0.388 20 0 HCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)CC1 ZINC000669646425 1073431272 /nfs/dbraw/zinc/43/12/72/1073431272.db2.gz JLBWPWCSFGZUEM-UHFFFAOYSA-N 1 3 423.583 0.833 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000670534788 1078679022 /nfs/dbraw/zinc/67/90/22/1078679022.db2.gz KGGFGVADKFNGPE-DOTOQJQBSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000670534790 1078679167 /nfs/dbraw/zinc/67/91/67/1078679167.db2.gz KGGFGVADKFNGPE-RDJZCZTQSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000670534791 1078678975 /nfs/dbraw/zinc/67/89/75/1078678975.db2.gz KGGFGVADKFNGPE-WBVHZDCISA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1cccs1 ZINC000670534874 1078678514 /nfs/dbraw/zinc/67/85/14/1078678514.db2.gz ZCIYPDAPEKDKDU-KRWDZBQOSA-N 1 3 409.600 0.951 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cccs1 ZINC000670534874 1078678510 /nfs/dbraw/zinc/67/85/10/1078678510.db2.gz ZCIYPDAPEKDKDU-KRWDZBQOSA-N 1 3 409.600 0.951 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1cccs1 ZINC000670534874 1078678503 /nfs/dbraw/zinc/67/85/03/1078678503.db2.gz ZCIYPDAPEKDKDU-KRWDZBQOSA-N 1 3 409.600 0.951 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1cccs1 ZINC000670534875 1078678417 /nfs/dbraw/zinc/67/84/17/1078678417.db2.gz ZCIYPDAPEKDKDU-QGZVFWFLSA-N 1 3 409.600 0.951 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cccs1 ZINC000670534875 1078678414 /nfs/dbraw/zinc/67/84/14/1078678414.db2.gz ZCIYPDAPEKDKDU-QGZVFWFLSA-N 1 3 409.600 0.951 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1cccs1 ZINC000670534875 1078678411 /nfs/dbraw/zinc/67/84/11/1078678411.db2.gz ZCIYPDAPEKDKDU-QGZVFWFLSA-N 1 3 409.600 0.951 20 0 HCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544182 1078711344 /nfs/dbraw/zinc/71/13/44/1078711344.db2.gz NOELTEWNRMNPCR-HKUYNNGSSA-N 1 3 417.554 0.817 20 0 HCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544182 1078711339 /nfs/dbraw/zinc/71/13/39/1078711339.db2.gz NOELTEWNRMNPCR-HKUYNNGSSA-N 1 3 417.554 0.817 20 0 HCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544183 1078711164 /nfs/dbraw/zinc/71/11/64/1078711164.db2.gz NOELTEWNRMNPCR-IEBWSBKVSA-N 1 3 417.554 0.817 20 0 HCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544183 1078711159 /nfs/dbraw/zinc/71/11/59/1078711159.db2.gz NOELTEWNRMNPCR-IEBWSBKVSA-N 1 3 417.554 0.817 20 0 HCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544184 1078711223 /nfs/dbraw/zinc/71/12/23/1078711223.db2.gz NOELTEWNRMNPCR-MJGOQNOKSA-N 1 3 417.554 0.817 20 0 HCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544184 1078711220 /nfs/dbraw/zinc/71/12/20/1078711220.db2.gz NOELTEWNRMNPCR-MJGOQNOKSA-N 1 3 417.554 0.817 20 0 HCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544185 1078711270 /nfs/dbraw/zinc/71/12/70/1078711270.db2.gz NOELTEWNRMNPCR-PKOBYXMFSA-N 1 3 417.554 0.817 20 0 HCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](c3ccco3)N3CCCC3)C2)CC1 ZINC000670544185 1078711265 /nfs/dbraw/zinc/71/12/65/1078711265.db2.gz NOELTEWNRMNPCR-PKOBYXMFSA-N 1 3 417.554 0.817 20 0 HCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000670572737 1078850485 /nfs/dbraw/zinc/85/04/85/1078850485.db2.gz DQBGFYUXMXFVAZ-UHFFFAOYSA-N 1 3 409.575 0.426 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608369 1078964584 /nfs/dbraw/zinc/96/45/84/1078964584.db2.gz PSCUDFAEXDXTSE-LEWJYISDSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608369 1078964580 /nfs/dbraw/zinc/96/45/80/1078964580.db2.gz PSCUDFAEXDXTSE-LEWJYISDSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608370 1078964624 /nfs/dbraw/zinc/96/46/24/1078964624.db2.gz PSCUDFAEXDXTSE-NHCUHLMSSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608370 1078964613 /nfs/dbraw/zinc/96/46/13/1078964613.db2.gz PSCUDFAEXDXTSE-NHCUHLMSSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608371 1078964417 /nfs/dbraw/zinc/96/44/17/1078964417.db2.gz PSCUDFAEXDXTSE-RTWAWAEBSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608371 1078964408 /nfs/dbraw/zinc/96/44/08/1078964408.db2.gz PSCUDFAEXDXTSE-RTWAWAEBSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608372 1078964189 /nfs/dbraw/zinc/96/41/89/1078964189.db2.gz PSCUDFAEXDXTSE-SFTDATJTSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccccc1 ZINC000670608372 1078964173 /nfs/dbraw/zinc/96/41/73/1078964173.db2.gz PSCUDFAEXDXTSE-SFTDATJTSA-N 1 3 415.582 0.514 20 0 HCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000670628592 1079038847 /nfs/dbraw/zinc/03/88/47/1079038847.db2.gz XHSSVNQQPDZRTC-PMACEKPBSA-N 1 3 413.566 0.662 20 0 HCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000670628593 1079038939 /nfs/dbraw/zinc/03/89/39/1079038939.db2.gz XHSSVNQQPDZRTC-UXHICEINSA-N 1 3 413.566 0.662 20 0 HCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000670628594 1079038917 /nfs/dbraw/zinc/03/89/17/1079038917.db2.gz XHSSVNQQPDZRTC-VQTJNVASSA-N 1 3 413.566 0.662 20 0 HCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000670628595 1079038873 /nfs/dbraw/zinc/03/88/73/1079038873.db2.gz XHSSVNQQPDZRTC-WOJBJXKFSA-N 1 3 413.566 0.662 20 0 HCADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000670663077 1079159425 /nfs/dbraw/zinc/15/94/25/1079159425.db2.gz RGAMVZIXPDNBEZ-UHFFFAOYSA-N 1 3 423.602 0.770 20 0 HCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000670664645 1079171568 /nfs/dbraw/zinc/17/15/68/1079171568.db2.gz AWVXWLRNPDMVHY-INIZCTEOSA-N 1 3 401.515 0.396 20 0 HCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000670664646 1079171708 /nfs/dbraw/zinc/17/17/08/1079171708.db2.gz AWVXWLRNPDMVHY-MRXNPFEDSA-N 1 3 401.515 0.396 20 0 HCADHO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671122 1079197024 /nfs/dbraw/zinc/19/70/24/1079197024.db2.gz INRYJHGNRRXWBB-PMACEKPBSA-N 1 3 423.602 0.086 20 0 HCADHO CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671123 1079197119 /nfs/dbraw/zinc/19/71/19/1079197119.db2.gz INRYJHGNRRXWBB-UXHICEINSA-N 1 3 423.602 0.086 20 0 HCADHO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671124 1079197153 /nfs/dbraw/zinc/19/71/53/1079197153.db2.gz INRYJHGNRRXWBB-VQTJNVASSA-N 1 3 423.602 0.086 20 0 HCADHO CC(C)CN1CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671125 1079196987 /nfs/dbraw/zinc/19/69/87/1079196987.db2.gz INRYJHGNRRXWBB-WOJBJXKFSA-N 1 3 423.602 0.086 20 0 HCADHO CN1CC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000670878013 1078827837 /nfs/dbraw/zinc/82/78/37/1078827837.db2.gz FJJMKQUKDWDNMO-PMACEKPBSA-N 1 3 401.555 0.690 20 0 HCADHO CN1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000670878014 1078827868 /nfs/dbraw/zinc/82/78/68/1078827868.db2.gz FJJMKQUKDWDNMO-UXHICEINSA-N 1 3 401.555 0.690 20 0 HCADHO CN1CC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000670878015 1078827741 /nfs/dbraw/zinc/82/77/41/1078827741.db2.gz FJJMKQUKDWDNMO-VQTJNVASSA-N 1 3 401.555 0.690 20 0 HCADHO CN1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000670878016 1078825768 /nfs/dbraw/zinc/82/57/68/1078825768.db2.gz FJJMKQUKDWDNMO-WOJBJXKFSA-N 1 3 401.555 0.690 20 0 HCADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000670970077 1078877908 /nfs/dbraw/zinc/87/79/08/1078877908.db2.gz QBUFKTGGEUAUHA-FQEVSTJZSA-N 1 3 409.619 0.955 20 0 HCADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000670970078 1078878316 /nfs/dbraw/zinc/87/83/16/1078878316.db2.gz QBUFKTGGEUAUHA-HXUWFJFHSA-N 1 3 409.619 0.955 20 0 HCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000670977396 1078881275 /nfs/dbraw/zinc/88/12/75/1078881275.db2.gz WXRFIZURJNZTNE-FQEVSTJZSA-N 1 3 413.566 0.446 20 0 HCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000670977396 1078881268 /nfs/dbraw/zinc/88/12/68/1078881268.db2.gz WXRFIZURJNZTNE-FQEVSTJZSA-N 1 3 413.566 0.446 20 0 HCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000670977397 1078881107 /nfs/dbraw/zinc/88/11/07/1078881107.db2.gz WXRFIZURJNZTNE-HXUWFJFHSA-N 1 3 413.566 0.446 20 0 HCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CCc4ccccc4C3)C2)CC1 ZINC000670977397 1078881104 /nfs/dbraw/zinc/88/11/04/1078881104.db2.gz WXRFIZURJNZTNE-HXUWFJFHSA-N 1 3 413.566 0.446 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000670980687 1078883538 /nfs/dbraw/zinc/88/35/38/1078883538.db2.gz IUNVGVJONUYOKE-AZUAARDMSA-N 1 3 419.545 0.829 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000670980688 1078883380 /nfs/dbraw/zinc/88/33/80/1078883380.db2.gz IUNVGVJONUYOKE-ICSRJNTNSA-N 1 3 419.545 0.829 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000670980689 1078883514 /nfs/dbraw/zinc/88/35/14/1078883514.db2.gz IUNVGVJONUYOKE-QUCCMNQESA-N 1 3 419.545 0.829 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000670980690 1078883502 /nfs/dbraw/zinc/88/35/02/1078883502.db2.gz IUNVGVJONUYOKE-UYAOXDASSA-N 1 3 419.545 0.829 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccsc1 ZINC000670981737 1078883121 /nfs/dbraw/zinc/88/31/21/1078883121.db2.gz NXBHNZKGPJRUKY-AEFFLSMTSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccsc1 ZINC000670981737 1078883117 /nfs/dbraw/zinc/88/31/17/1078883117.db2.gz NXBHNZKGPJRUKY-AEFFLSMTSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccsc1 ZINC000670981738 1078883031 /nfs/dbraw/zinc/88/30/31/1078883031.db2.gz NXBHNZKGPJRUKY-FUHWJXTLSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccsc1 ZINC000670981738 1078883024 /nfs/dbraw/zinc/88/30/24/1078883024.db2.gz NXBHNZKGPJRUKY-FUHWJXTLSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccsc1 ZINC000670981739 1078883103 /nfs/dbraw/zinc/88/31/03/1078883103.db2.gz NXBHNZKGPJRUKY-SJLPKXTDSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccsc1 ZINC000670981739 1078883101 /nfs/dbraw/zinc/88/31/01/1078883101.db2.gz NXBHNZKGPJRUKY-SJLPKXTDSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccsc1 ZINC000670981740 1078883143 /nfs/dbraw/zinc/88/31/43/1078883143.db2.gz NXBHNZKGPJRUKY-WMZOPIPTSA-N 1 3 407.584 0.752 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccsc1 ZINC000670981740 1078883140 /nfs/dbraw/zinc/88/31/40/1078883140.db2.gz NXBHNZKGPJRUKY-WMZOPIPTSA-N 1 3 407.584 0.752 20 0 HCADHO Cc1nccn1CCCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000670982740 1078884546 /nfs/dbraw/zinc/88/45/46/1078884546.db2.gz GZAVZVDYXQPCIS-UHFFFAOYSA-N 1 3 404.559 0.715 20 0 HCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000670997516 1078894762 /nfs/dbraw/zinc/89/47/62/1078894762.db2.gz UJKBCNDVXGOPFR-FXAWDEMLSA-N 1 3 402.539 0.860 20 0 HCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000670997516 1078894758 /nfs/dbraw/zinc/89/47/58/1078894758.db2.gz UJKBCNDVXGOPFR-FXAWDEMLSA-N 1 3 402.539 0.860 20 0 HCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000670997517 1078894886 /nfs/dbraw/zinc/89/48/86/1078894886.db2.gz UJKBCNDVXGOPFR-PXNSSMCTSA-N 1 3 402.539 0.860 20 0 HCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000670997517 1078894882 /nfs/dbraw/zinc/89/48/82/1078894882.db2.gz UJKBCNDVXGOPFR-PXNSSMCTSA-N 1 3 402.539 0.860 20 0 HCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000670997518 1078894842 /nfs/dbraw/zinc/89/48/42/1078894842.db2.gz UJKBCNDVXGOPFR-XLIONFOSSA-N 1 3 402.539 0.860 20 0 HCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000670997518 1078894839 /nfs/dbraw/zinc/89/48/39/1078894839.db2.gz UJKBCNDVXGOPFR-XLIONFOSSA-N 1 3 402.539 0.860 20 0 HCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000670997519 1078894920 /nfs/dbraw/zinc/89/49/20/1078894920.db2.gz UJKBCNDVXGOPFR-YLJYHZDGSA-N 1 3 402.539 0.860 20 0 HCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000670997519 1078894917 /nfs/dbraw/zinc/89/49/17/1078894917.db2.gz UJKBCNDVXGOPFR-YLJYHZDGSA-N 1 3 402.539 0.860 20 0 HCADHO CN(C)Cc1cc(CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)ccc1F ZINC000671033755 1078963364 /nfs/dbraw/zinc/96/33/64/1078963364.db2.gz TUKCLRXHJSNSEM-UHFFFAOYSA-N 1 3 407.534 0.647 20 0 HCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000671070829 1079017763 /nfs/dbraw/zinc/01/77/63/1079017763.db2.gz BKWHNIUQCCZVCX-FQEVSTJZSA-N 1 3 414.616 0.889 20 0 HCADHO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000671070830 1079018202 /nfs/dbraw/zinc/01/82/02/1079018202.db2.gz BKWHNIUQCCZVCX-HXUWFJFHSA-N 1 3 414.616 0.889 20 0 HCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671343491 1079233513 /nfs/dbraw/zinc/23/35/13/1079233513.db2.gz LFVGSMPBGBNLHX-LEWJYISDSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671343491 1079233503 /nfs/dbraw/zinc/23/35/03/1079233503.db2.gz LFVGSMPBGBNLHX-LEWJYISDSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671343492 1079233612 /nfs/dbraw/zinc/23/36/12/1079233612.db2.gz LFVGSMPBGBNLHX-NHCUHLMSSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671343492 1079233597 /nfs/dbraw/zinc/23/35/97/1079233597.db2.gz LFVGSMPBGBNLHX-NHCUHLMSSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671343493 1079233319 /nfs/dbraw/zinc/23/33/19/1079233319.db2.gz LFVGSMPBGBNLHX-RTWAWAEBSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671343493 1079233312 /nfs/dbraw/zinc/23/33/12/1079233312.db2.gz LFVGSMPBGBNLHX-RTWAWAEBSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671343494 1079233410 /nfs/dbraw/zinc/23/34/10/1079233410.db2.gz LFVGSMPBGBNLHX-SFTDATJTSA-N 1 3 415.582 0.514 20 0 HCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000671343494 1079233404 /nfs/dbraw/zinc/23/34/04/1079233404.db2.gz LFVGSMPBGBNLHX-SFTDATJTSA-N 1 3 415.582 0.514 20 0 HCADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000671374274 1079269151 /nfs/dbraw/zinc/26/91/51/1079269151.db2.gz OXUBENRSOQSCMX-FQEVSTJZSA-N 1 3 402.539 0.946 20 0 HCADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000671374275 1079269725 /nfs/dbraw/zinc/26/97/25/1079269725.db2.gz OXUBENRSOQSCMX-HXUWFJFHSA-N 1 3 402.539 0.946 20 0 HCADHO CN(CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390389 1079279009 /nfs/dbraw/zinc/27/90/09/1079279009.db2.gz QBCXWKCRMPZNCI-IBGZPJMESA-N 1 3 401.555 0.519 20 0 HCADHO CN(CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000671390390 1079279072 /nfs/dbraw/zinc/27/90/72/1079279072.db2.gz QBCXWKCRMPZNCI-LJQANCHMSA-N 1 3 401.555 0.519 20 0 HCADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000671912552 1080126983 /nfs/dbraw/zinc/12/69/83/1080126983.db2.gz AEPZTOOUJHJGDK-IBGZPJMESA-N 1 3 415.538 0.195 20 0 HCADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000671912553 1080126679 /nfs/dbraw/zinc/12/66/79/1080126679.db2.gz AEPZTOOUJHJGDK-LJQANCHMSA-N 1 3 415.538 0.195 20 0 HCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000671941649 1080158829 /nfs/dbraw/zinc/15/88/29/1080158829.db2.gz JBHNPXYBVZELRD-UHFFFAOYSA-N 1 3 407.559 0.134 20 0 HCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954516 1080159972 /nfs/dbraw/zinc/15/99/72/1080159972.db2.gz BHSPDWVPEOVEHR-DOTOQJQBSA-N 1 3 405.518 0.965 20 0 HCADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954517 1080160239 /nfs/dbraw/zinc/16/02/39/1080160239.db2.gz BHSPDWVPEOVEHR-NVXWUHKLSA-N 1 3 405.518 0.965 20 0 HCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954518 1080159548 /nfs/dbraw/zinc/15/95/48/1080159548.db2.gz BHSPDWVPEOVEHR-RDJZCZTQSA-N 1 3 405.518 0.965 20 0 HCADHO C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000671954519 1080160126 /nfs/dbraw/zinc/16/01/26/1080160126.db2.gz BHSPDWVPEOVEHR-WBVHZDCISA-N 1 3 405.518 0.965 20 0 HCADHO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H](C)CN3CCOCC3)CC2)CC1 ZINC000671960217 1080167390 /nfs/dbraw/zinc/16/73/90/1080167390.db2.gz RWNGSTAIBVQHES-IBGZPJMESA-N 1 3 423.602 0.088 20 0 HCADHO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000671960218 1080167635 /nfs/dbraw/zinc/16/76/35/1080167635.db2.gz RWNGSTAIBVQHES-LJQANCHMSA-N 1 3 423.602 0.088 20 0 HCADHO C[C@H](NC(=O)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)C1CC[NH+](C)CC1 ZINC000672013826 1080240090 /nfs/dbraw/zinc/24/00/90/1080240090.db2.gz OBZYLFDHWCKEFX-KRWDZBQOSA-N 1 3 416.570 0.638 20 0 HCADHO C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)C1CC[NH+](C)CC1 ZINC000672013827 1080239948 /nfs/dbraw/zinc/23/99/48/1080239948.db2.gz OBZYLFDHWCKEFX-QGZVFWFLSA-N 1 3 416.570 0.638 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000672111090 1080392824 /nfs/dbraw/zinc/39/28/24/1080392824.db2.gz SVPFPEKZXJJLLD-MSOLQXFVSA-N 1 3 407.559 0.132 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000672111091 1080393031 /nfs/dbraw/zinc/39/30/31/1080393031.db2.gz SVPFPEKZXJJLLD-QZTJIDSGSA-N 1 3 407.559 0.132 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000672111092 1080393112 /nfs/dbraw/zinc/39/31/12/1080393112.db2.gz SVPFPEKZXJJLLD-ROUUACIJSA-N 1 3 407.559 0.132 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000672111093 1080392956 /nfs/dbraw/zinc/39/29/56/1080392956.db2.gz SVPFPEKZXJJLLD-ZWKOTPCHSA-N 1 3 407.559 0.132 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672111590 1080390788 /nfs/dbraw/zinc/39/07/88/1080390788.db2.gz FMSWIYDEQHBLMU-MSOLQXFVSA-N 1 3 407.559 0.132 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000672111591 1080391092 /nfs/dbraw/zinc/39/10/92/1080391092.db2.gz FMSWIYDEQHBLMU-QZTJIDSGSA-N 1 3 407.559 0.132 20 0 HCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672111592 1080390901 /nfs/dbraw/zinc/39/09/01/1080390901.db2.gz FMSWIYDEQHBLMU-ROUUACIJSA-N 1 3 407.559 0.132 20 0 HCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000672111593 1080390705 /nfs/dbraw/zinc/39/07/05/1080390705.db2.gz FMSWIYDEQHBLMU-ZWKOTPCHSA-N 1 3 407.559 0.132 20 0 HCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672204412 1080502803 /nfs/dbraw/zinc/50/28/03/1080502803.db2.gz XFAZUFWVZMHPDS-PMACEKPBSA-N 1 3 402.539 0.860 20 0 HCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000672204412 1080502783 /nfs/dbraw/zinc/50/27/83/1080502783.db2.gz XFAZUFWVZMHPDS-PMACEKPBSA-N 1 3 402.539 0.860 20 0 HCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000672204413 1080503249 /nfs/dbraw/zinc/50/32/49/1080503249.db2.gz XFAZUFWVZMHPDS-UXHICEINSA-N 1 3 402.539 0.860 20 0 HCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000672204413 1080503238 /nfs/dbraw/zinc/50/32/38/1080503238.db2.gz XFAZUFWVZMHPDS-UXHICEINSA-N 1 3 402.539 0.860 20 0 HCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672204414 1080503174 /nfs/dbraw/zinc/50/31/74/1080503174.db2.gz XFAZUFWVZMHPDS-VQTJNVASSA-N 1 3 402.539 0.860 20 0 HCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000672204414 1080503164 /nfs/dbraw/zinc/50/31/64/1080503164.db2.gz XFAZUFWVZMHPDS-VQTJNVASSA-N 1 3 402.539 0.860 20 0 HCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000672204415 1080502978 /nfs/dbraw/zinc/50/29/78/1080502978.db2.gz XFAZUFWVZMHPDS-WOJBJXKFSA-N 1 3 402.539 0.860 20 0 HCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000672204415 1080502963 /nfs/dbraw/zinc/50/29/63/1080502963.db2.gz XFAZUFWVZMHPDS-WOJBJXKFSA-N 1 3 402.539 0.860 20 0 HCADHO C[C@@H](O)CN1CCN(c2nc(C3CC3)cc(N3CC[NH+](C[C@H](C)O)CC3)n2)CC1 ZINC000672207146 1080506085 /nfs/dbraw/zinc/50/60/85/1080506085.db2.gz JMYPJEGDLPXEID-DLBZAZTESA-N 1 3 404.559 0.360 20 0 HCADHO C[C@@H](O)CN1CCN(c2nc(C3CC3)cc(N3CC[NH+](C[C@@H](C)O)CC3)n2)CC1 ZINC000672207147 1080505903 /nfs/dbraw/zinc/50/59/03/1080505903.db2.gz JMYPJEGDLPXEID-IAGOWNOFSA-N 1 3 404.559 0.360 20 0 HCADHO C[C@@H](O)C[NH+]1CCN(c2cc(C3CC3)nc(N3CCN(C[C@H](C)O)CC3)n2)CC1 ZINC000672207148 1080506167 /nfs/dbraw/zinc/50/61/67/1080506167.db2.gz JMYPJEGDLPXEID-SJORKVTESA-N 1 3 404.559 0.360 20 0 HCADHO O[C@@H]1CCC[C@@H]1N1CCN(c2cncc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)n2)CC1 ZINC000672207521 1080506551 /nfs/dbraw/zinc/50/65/51/1080506551.db2.gz PUCUFIPLSIPUIU-VNTMZGSJSA-N 1 3 416.570 0.547 20 0 HCADHO COc1cnc(N2CC[NH+](C(C)(C)CO)CC2)nc1N1CCN(C(C)(C)CO)CC1 ZINC000672217034 1080509033 /nfs/dbraw/zinc/50/90/33/1080509033.db2.gz KXLTYXMEGMULGV-UHFFFAOYSA-N 1 3 422.574 0.271 20 0 HCADHO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672224638 1080512241 /nfs/dbraw/zinc/51/22/41/1080512241.db2.gz WBMCKMGDBUJFMN-FQEVSTJZSA-N 1 3 414.550 0.860 20 0 HCADHO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672224639 1080512545 /nfs/dbraw/zinc/51/25/45/1080512545.db2.gz WBMCKMGDBUJFMN-HXUWFJFHSA-N 1 3 414.550 0.860 20 0 HCADHO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000672256780 1080531817 /nfs/dbraw/zinc/53/18/17/1080531817.db2.gz DJJUCPLCFWMAQD-IBGZPJMESA-N 1 3 402.539 0.982 20 0 HCADHO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000672256781 1080531736 /nfs/dbraw/zinc/53/17/36/1080531736.db2.gz DJJUCPLCFWMAQD-LJQANCHMSA-N 1 3 402.539 0.982 20 0 HCADHO COc1cnc(N2CC[N@@H+](CCO)C(C)(C)C2)nc1N1CCN(CCO)C(C)(C)C1 ZINC000672261047 1080530400 /nfs/dbraw/zinc/53/04/00/1080530400.db2.gz XIBBNPKPFZAOLI-UHFFFAOYSA-N 1 3 422.574 0.271 20 0 HCADHO COc1cnc(N2CC[N@H+](CCO)C(C)(C)C2)nc1N1CCN(CCO)C(C)(C)C1 ZINC000672261047 1080530391 /nfs/dbraw/zinc/53/03/91/1080530391.db2.gz XIBBNPKPFZAOLI-UHFFFAOYSA-N 1 3 422.574 0.271 20 0 HCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)CC1 ZINC000672307882 1080557570 /nfs/dbraw/zinc/55/75/70/1080557570.db2.gz QOFJASUBAPGWLP-IBGZPJMESA-N 1 3 405.587 0.604 20 0 HCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)CC1 ZINC000672307883 1080557182 /nfs/dbraw/zinc/55/71/82/1080557182.db2.gz QOFJASUBAPGWLP-LJQANCHMSA-N 1 3 405.587 0.604 20 0 HCADHO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672309149 1080559595 /nfs/dbraw/zinc/55/95/95/1080559595.db2.gz KZJDDVDZNPKYKA-PMACEKPBSA-N 1 3 400.523 0.470 20 0 HCADHO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672309149 1080559589 /nfs/dbraw/zinc/55/95/89/1080559589.db2.gz KZJDDVDZNPKYKA-PMACEKPBSA-N 1 3 400.523 0.470 20 0 HCADHO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672309150 1080559493 /nfs/dbraw/zinc/55/94/93/1080559493.db2.gz KZJDDVDZNPKYKA-UXHICEINSA-N 1 3 400.523 0.470 20 0 HCADHO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672309150 1080559485 /nfs/dbraw/zinc/55/94/85/1080559485.db2.gz KZJDDVDZNPKYKA-UXHICEINSA-N 1 3 400.523 0.470 20 0 HCADHO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672309151 1080560468 /nfs/dbraw/zinc/56/04/68/1080560468.db2.gz KZJDDVDZNPKYKA-VQTJNVASSA-N 1 3 400.523 0.470 20 0 HCADHO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672309151 1080560459 /nfs/dbraw/zinc/56/04/59/1080560459.db2.gz KZJDDVDZNPKYKA-VQTJNVASSA-N 1 3 400.523 0.470 20 0 HCADHO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672309152 1080560341 /nfs/dbraw/zinc/56/03/41/1080560341.db2.gz KZJDDVDZNPKYKA-WOJBJXKFSA-N 1 3 400.523 0.470 20 0 HCADHO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672309152 1080560333 /nfs/dbraw/zinc/56/03/33/1080560333.db2.gz KZJDDVDZNPKYKA-WOJBJXKFSA-N 1 3 400.523 0.470 20 0 HCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672309971 1080557335 /nfs/dbraw/zinc/55/73/35/1080557335.db2.gz BJDXPXVLSNHZDH-GGPKGHCWSA-N 1 3 405.587 0.604 20 0 HCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672309972 1080557240 /nfs/dbraw/zinc/55/72/40/1080557240.db2.gz BJDXPXVLSNHZDH-NSHGMRRFSA-N 1 3 405.587 0.604 20 0 HCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672309972 1080557229 /nfs/dbraw/zinc/55/72/29/1080557229.db2.gz BJDXPXVLSNHZDH-NSHGMRRFSA-N 1 3 405.587 0.604 20 0 HCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672309973 1080557549 /nfs/dbraw/zinc/55/75/49/1080557549.db2.gz BJDXPXVLSNHZDH-QWFCFKBJSA-N 1 3 405.587 0.604 20 0 HCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672309974 1080557468 /nfs/dbraw/zinc/55/74/68/1080557468.db2.gz BJDXPXVLSNHZDH-WSTZPKSXSA-N 1 3 405.587 0.604 20 0 HCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672309974 1080557460 /nfs/dbraw/zinc/55/74/60/1080557460.db2.gz BJDXPXVLSNHZDH-WSTZPKSXSA-N 1 3 405.587 0.604 20 0 HCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310578 1080558683 /nfs/dbraw/zinc/55/86/83/1080558683.db2.gz ZXRVSFLFZAPLMO-LEWJYISDSA-N 1 3 414.550 0.994 20 0 HCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310578 1080558675 /nfs/dbraw/zinc/55/86/75/1080558675.db2.gz ZXRVSFLFZAPLMO-LEWJYISDSA-N 1 3 414.550 0.994 20 0 HCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310579 1080559041 /nfs/dbraw/zinc/55/90/41/1080559041.db2.gz ZXRVSFLFZAPLMO-NHCUHLMSSA-N 1 3 414.550 0.994 20 0 HCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310579 1080559035 /nfs/dbraw/zinc/55/90/35/1080559035.db2.gz ZXRVSFLFZAPLMO-NHCUHLMSSA-N 1 3 414.550 0.994 20 0 HCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310580 1080559079 /nfs/dbraw/zinc/55/90/79/1080559079.db2.gz ZXRVSFLFZAPLMO-RTWAWAEBSA-N 1 3 414.550 0.994 20 0 HCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310580 1080559073 /nfs/dbraw/zinc/55/90/73/1080559073.db2.gz ZXRVSFLFZAPLMO-RTWAWAEBSA-N 1 3 414.550 0.994 20 0 HCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310581 1080558864 /nfs/dbraw/zinc/55/88/64/1080558864.db2.gz ZXRVSFLFZAPLMO-SFTDATJTSA-N 1 3 414.550 0.994 20 0 HCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310581 1080558855 /nfs/dbraw/zinc/55/88/55/1080558855.db2.gz ZXRVSFLFZAPLMO-SFTDATJTSA-N 1 3 414.550 0.994 20 0 HCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672342130 1080570319 /nfs/dbraw/zinc/57/03/19/1080570319.db2.gz VNALDQJYUQWQDV-INIZCTEOSA-N 1 3 411.497 0.612 20 0 HCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672342131 1080570722 /nfs/dbraw/zinc/57/07/22/1080570722.db2.gz VNALDQJYUQWQDV-MRXNPFEDSA-N 1 3 411.497 0.612 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672442579 1080605034 /nfs/dbraw/zinc/60/50/34/1080605034.db2.gz XQMJOHRGRCFXGV-UHFFFAOYSA-N 1 3 403.527 0.736 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672442844 1080605046 /nfs/dbraw/zinc/60/50/46/1080605046.db2.gz RJVQUVJBVXXBJA-GOSISDBHSA-N 1 3 423.602 0.230 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672442844 1080605043 /nfs/dbraw/zinc/60/50/43/1080605043.db2.gz RJVQUVJBVXXBJA-GOSISDBHSA-N 1 3 423.602 0.230 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000672442845 1080604964 /nfs/dbraw/zinc/60/49/64/1080604964.db2.gz RJVQUVJBVXXBJA-SFHVURJKSA-N 1 3 423.602 0.230 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672442845 1080604959 /nfs/dbraw/zinc/60/49/59/1080604959.db2.gz RJVQUVJBVXXBJA-SFHVURJKSA-N 1 3 423.602 0.230 20 0 HCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000672513237 1080656785 /nfs/dbraw/zinc/65/67/85/1080656785.db2.gz VINRPHRBWSSEQP-GOSISDBHSA-N 1 3 407.559 0.132 20 0 HCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000672513238 1080656857 /nfs/dbraw/zinc/65/68/57/1080656857.db2.gz VINRPHRBWSSEQP-SFHVURJKSA-N 1 3 407.559 0.132 20 0 HCADHO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N(C)Cc1ccccc1 ZINC000672588252 1080695840 /nfs/dbraw/zinc/69/58/40/1080695840.db2.gz HQXDOJKIKZAYRX-CTNGQTDRSA-N 1 3 415.582 0.862 20 0 HCADHO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N(C)Cc1ccccc1 ZINC000672588252 1080695837 /nfs/dbraw/zinc/69/58/37/1080695837.db2.gz HQXDOJKIKZAYRX-CTNGQTDRSA-N 1 3 415.582 0.862 20 0 HCADHO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N(C)Cc1ccccc1 ZINC000672588254 1080695617 /nfs/dbraw/zinc/69/56/17/1080695617.db2.gz HQXDOJKIKZAYRX-FPOVZHCZSA-N 1 3 415.582 0.862 20 0 HCADHO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N(C)Cc1ccccc1 ZINC000672588254 1080695613 /nfs/dbraw/zinc/69/56/13/1080695613.db2.gz HQXDOJKIKZAYRX-FPOVZHCZSA-N 1 3 415.582 0.862 20 0 HCADHO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N(C)Cc1ccccc1 ZINC000672588256 1080696004 /nfs/dbraw/zinc/69/60/04/1080696004.db2.gz HQXDOJKIKZAYRX-PZJWPPBQSA-N 1 3 415.582 0.862 20 0 HCADHO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N(C)Cc1ccccc1 ZINC000672588256 1080695998 /nfs/dbraw/zinc/69/59/98/1080695998.db2.gz HQXDOJKIKZAYRX-PZJWPPBQSA-N 1 3 415.582 0.862 20 0 HCADHO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N(C)Cc1ccccc1 ZINC000672588258 1080695858 /nfs/dbraw/zinc/69/58/58/1080695858.db2.gz HQXDOJKIKZAYRX-TZIWHRDSSA-N 1 3 415.582 0.862 20 0 HCADHO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N(C)Cc1ccccc1 ZINC000672588258 1080695854 /nfs/dbraw/zinc/69/58/54/1080695854.db2.gz HQXDOJKIKZAYRX-TZIWHRDSSA-N 1 3 415.582 0.862 20 0 HCADHO CN(C)Cc1cc(CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1F ZINC000672595036 1080698177 /nfs/dbraw/zinc/69/81/77/1080698177.db2.gz FVQIGYPYJMWUBW-GOSISDBHSA-N 1 3 419.545 0.788 20 0 HCADHO CN(C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1F ZINC000672595037 1080698055 /nfs/dbraw/zinc/69/80/55/1080698055.db2.gz FVQIGYPYJMWUBW-SFHVURJKSA-N 1 3 419.545 0.788 20 0 HCADHO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000672596819 1080700651 /nfs/dbraw/zinc/70/06/51/1080700651.db2.gz NFBFSXAIVRYCHY-AZUAARDMSA-N 1 3 401.555 0.471 20 0 HCADHO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000672596819 1080700645 /nfs/dbraw/zinc/70/06/45/1080700645.db2.gz NFBFSXAIVRYCHY-AZUAARDMSA-N 1 3 401.555 0.471 20 0 HCADHO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000672596820 1080700254 /nfs/dbraw/zinc/70/02/54/1080700254.db2.gz NFBFSXAIVRYCHY-ICSRJNTNSA-N 1 3 401.555 0.471 20 0 HCADHO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000672596820 1080700244 /nfs/dbraw/zinc/70/02/44/1080700244.db2.gz NFBFSXAIVRYCHY-ICSRJNTNSA-N 1 3 401.555 0.471 20 0 HCADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000672596821 1080700591 /nfs/dbraw/zinc/70/05/91/1080700591.db2.gz NFBFSXAIVRYCHY-QUCCMNQESA-N 1 3 401.555 0.471 20 0 HCADHO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000672596821 1080700585 /nfs/dbraw/zinc/70/05/85/1080700585.db2.gz NFBFSXAIVRYCHY-QUCCMNQESA-N 1 3 401.555 0.471 20 0 HCADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000672596822 1080700409 /nfs/dbraw/zinc/70/04/09/1080700409.db2.gz NFBFSXAIVRYCHY-UYAOXDASSA-N 1 3 401.555 0.471 20 0 HCADHO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000672596822 1080700398 /nfs/dbraw/zinc/70/03/98/1080700398.db2.gz NFBFSXAIVRYCHY-UYAOXDASSA-N 1 3 401.555 0.471 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000672637773 1080719027 /nfs/dbraw/zinc/71/90/27/1080719027.db2.gz AXHZPWCEWVNANN-AZUAARDMSA-N 1 3 419.545 0.829 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000672637774 1080718777 /nfs/dbraw/zinc/71/87/77/1080718777.db2.gz AXHZPWCEWVNANN-ICSRJNTNSA-N 1 3 419.545 0.829 20 0 HCADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000672637775 1080719862 /nfs/dbraw/zinc/71/98/62/1080719862.db2.gz AXHZPWCEWVNANN-QUCCMNQESA-N 1 3 419.545 0.829 20 0 HCADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000672637776 1080720446 /nfs/dbraw/zinc/72/04/46/1080720446.db2.gz AXHZPWCEWVNANN-UYAOXDASSA-N 1 3 419.545 0.829 20 0 HCADHO CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1CCOC ZINC000672637792 1080720519 /nfs/dbraw/zinc/72/05/19/1080720519.db2.gz CAQOVBNCBHTAFX-AZUAARDMSA-N 1 3 423.602 0.230 20 0 HCADHO CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1CCOC ZINC000672637792 1080720505 /nfs/dbraw/zinc/72/05/05/1080720505.db2.gz CAQOVBNCBHTAFX-AZUAARDMSA-N 1 3 423.602 0.230 20 0 HCADHO CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1CCOC ZINC000672637793 1080721563 /nfs/dbraw/zinc/72/15/63/1080721563.db2.gz CAQOVBNCBHTAFX-ICSRJNTNSA-N 1 3 423.602 0.230 20 0 HCADHO CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1CCOC ZINC000672637793 1080721539 /nfs/dbraw/zinc/72/15/39/1080721539.db2.gz CAQOVBNCBHTAFX-ICSRJNTNSA-N 1 3 423.602 0.230 20 0 HCADHO CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1CCOC ZINC000672637794 1080721410 /nfs/dbraw/zinc/72/14/10/1080721410.db2.gz CAQOVBNCBHTAFX-QUCCMNQESA-N 1 3 423.602 0.230 20 0 HCADHO CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1CCOC ZINC000672637794 1080721396 /nfs/dbraw/zinc/72/13/96/1080721396.db2.gz CAQOVBNCBHTAFX-QUCCMNQESA-N 1 3 423.602 0.230 20 0 HCADHO CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1CCOC ZINC000672637795 1080720889 /nfs/dbraw/zinc/72/08/89/1080720889.db2.gz CAQOVBNCBHTAFX-UYAOXDASSA-N 1 3 423.602 0.230 20 0 HCADHO CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1CCOC ZINC000672637795 1080720876 /nfs/dbraw/zinc/72/08/76/1080720876.db2.gz CAQOVBNCBHTAFX-UYAOXDASSA-N 1 3 423.602 0.230 20 0 HCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(CC4CCCCC4)CC3)C2)CC1 ZINC000672638110 1080717051 /nfs/dbraw/zinc/71/70/51/1080717051.db2.gz KNDYYXUMSXGJBQ-FQEVSTJZSA-N 1 3 419.614 0.996 20 0 HCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(CC4CCCCC4)CC3)C2)CC1 ZINC000672638111 1080717956 /nfs/dbraw/zinc/71/79/56/1080717956.db2.gz KNDYYXUMSXGJBQ-HXUWFJFHSA-N 1 3 419.614 0.996 20 0 HCADHO CN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000672639068 1080725606 /nfs/dbraw/zinc/72/56/06/1080725606.db2.gz YMYASXSDZMDABC-CEWLAPEOSA-N 1 3 413.566 0.833 20 0 HCADHO CN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1c1ccccc1 ZINC000672639069 1080726057 /nfs/dbraw/zinc/72/60/57/1080726057.db2.gz YMYASXSDZMDABC-JBACZVJFSA-N 1 3 413.566 0.833 20 0 HCADHO CN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000672639070 1080725983 /nfs/dbraw/zinc/72/59/83/1080725983.db2.gz YMYASXSDZMDABC-SESVDKBCSA-N 1 3 413.566 0.833 20 0 HCADHO CN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1c1ccccc1 ZINC000672639071 1080725650 /nfs/dbraw/zinc/72/56/50/1080725650.db2.gz YMYASXSDZMDABC-TYPHKJRUSA-N 1 3 413.566 0.833 20 0 HCADHO CC1CCC(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000672640401 1080730230 /nfs/dbraw/zinc/73/02/30/1080730230.db2.gz CNPBZMZRAJLJSF-GPJFCIFZSA-N 1 3 419.614 0.994 20 0 HCADHO CC1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000672640402 1080730596 /nfs/dbraw/zinc/73/05/96/1080730596.db2.gz CNPBZMZRAJLJSF-IOJLRTSASA-N 1 3 419.614 0.994 20 0 HCADHO CN(CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccc(F)cc1 ZINC000672640511 1080728449 /nfs/dbraw/zinc/72/84/49/1080728449.db2.gz WBOVUBITMZXYBT-IBGZPJMESA-N 1 3 419.545 0.658 20 0 HCADHO CN(CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)Cc1ccc(F)cc1 ZINC000672640520 1080728086 /nfs/dbraw/zinc/72/80/86/1080728086.db2.gz WBOVUBITMZXYBT-LJQANCHMSA-N 1 3 419.545 0.658 20 0 HCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(CCC(C)(C)C)CC3)C2)CC1 ZINC000672640927 1080737158 /nfs/dbraw/zinc/73/71/58/1080737158.db2.gz MGEDVWHLRYHCJW-GOSISDBHSA-N 1 3 407.603 0.852 20 0 HCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(CCC(C)(C)C)CC3)C2)CC1 ZINC000672640928 1080736980 /nfs/dbraw/zinc/73/69/80/1080736980.db2.gz MGEDVWHLRYHCJW-SFHVURJKSA-N 1 3 407.603 0.852 20 0 HCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C4CCCCC4)CC3)C2)CC1 ZINC000672641251 1080736866 /nfs/dbraw/zinc/73/68/66/1080736866.db2.gz OUQFBKWLVIBRKC-GOSISDBHSA-N 1 3 405.587 0.748 20 0 HCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C4CCCCC4)CC3)C2)CC1 ZINC000672641252 1080736999 /nfs/dbraw/zinc/73/69/99/1080736999.db2.gz OUQFBKWLVIBRKC-SFHVURJKSA-N 1 3 405.587 0.748 20 0 HCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)CCC(F)(F)F ZINC000672641765 1080740744 /nfs/dbraw/zinc/74/07/44/1080740744.db2.gz XCZILJSIVIDTKQ-HNNXBMFYSA-N 1 3 421.508 0.662 20 0 HCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)CCC(F)(F)F ZINC000672641765 1080740735 /nfs/dbraw/zinc/74/07/35/1080740735.db2.gz XCZILJSIVIDTKQ-HNNXBMFYSA-N 1 3 421.508 0.662 20 0 HCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)CCC(F)(F)F ZINC000672641766 1080740515 /nfs/dbraw/zinc/74/05/15/1080740515.db2.gz XCZILJSIVIDTKQ-OAHLLOKOSA-N 1 3 421.508 0.662 20 0 HCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)CCC(F)(F)F ZINC000672641766 1080740501 /nfs/dbraw/zinc/74/05/01/1080740501.db2.gz XCZILJSIVIDTKQ-OAHLLOKOSA-N 1 3 421.508 0.662 20 0 HCADHO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641970 1080740694 /nfs/dbraw/zinc/74/06/94/1080740694.db2.gz UXEARVOLZKUWBK-GOSISDBHSA-N 1 3 423.602 0.088 20 0 HCADHO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641970 1080740685 /nfs/dbraw/zinc/74/06/85/1080740685.db2.gz UXEARVOLZKUWBK-GOSISDBHSA-N 1 3 423.602 0.088 20 0 HCADHO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641971 1080740873 /nfs/dbraw/zinc/74/08/73/1080740873.db2.gz UXEARVOLZKUWBK-SFHVURJKSA-N 1 3 423.602 0.088 20 0 HCADHO CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641971 1080740864 /nfs/dbraw/zinc/74/08/64/1080740864.db2.gz UXEARVOLZKUWBK-SFHVURJKSA-N 1 3 423.602 0.088 20 0 HCADHO Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)c1 ZINC000672642132 1080740812 /nfs/dbraw/zinc/74/08/12/1080740812.db2.gz YNECREFZVOATOW-GOSISDBHSA-N 1 3 414.554 0.323 20 0 HCADHO Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)c1 ZINC000672642132 1080740807 /nfs/dbraw/zinc/74/08/07/1080740807.db2.gz YNECREFZVOATOW-GOSISDBHSA-N 1 3 414.554 0.323 20 0 HCADHO Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)c1 ZINC000672642133 1080741223 /nfs/dbraw/zinc/74/12/23/1080741223.db2.gz YNECREFZVOATOW-SFHVURJKSA-N 1 3 414.554 0.323 20 0 HCADHO Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)c1 ZINC000672642133 1080741209 /nfs/dbraw/zinc/74/12/09/1080741209.db2.gz YNECREFZVOATOW-SFHVURJKSA-N 1 3 414.554 0.323 20 0 HCADHO CC1(C)CN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCN1CCO ZINC000672681688 1080756537 /nfs/dbraw/zinc/75/65/37/1080756537.db2.gz XYRONCPKTFDXLT-UHFFFAOYSA-N 1 3 403.571 0.902 20 0 HCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000672692933 1080760279 /nfs/dbraw/zinc/76/02/79/1080760279.db2.gz MPRWIFLAEOENEA-GURQWTFNSA-N 1 3 405.587 0.746 20 0 HCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000672692933 1080760274 /nfs/dbraw/zinc/76/02/74/1080760274.db2.gz MPRWIFLAEOENEA-GURQWTFNSA-N 1 3 405.587 0.746 20 0 HCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000672692934 1080760253 /nfs/dbraw/zinc/76/02/53/1080760253.db2.gz MPRWIFLAEOENEA-WRURNZQNSA-N 1 3 405.587 0.746 20 0 HCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000672692934 1080760248 /nfs/dbraw/zinc/76/02/48/1080760248.db2.gz MPRWIFLAEOENEA-WRURNZQNSA-N 1 3 405.587 0.746 20 0 HCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000672695465 1080757424 /nfs/dbraw/zinc/75/74/24/1080757424.db2.gz HJLSFNWWMIEZAD-IBGZPJMESA-N 1 3 407.603 0.994 20 0 HCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000672695466 1080757489 /nfs/dbraw/zinc/75/74/89/1080757489.db2.gz HJLSFNWWMIEZAD-LJQANCHMSA-N 1 3 407.603 0.994 20 0 HCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000672698094 1080762223 /nfs/dbraw/zinc/76/22/23/1080762223.db2.gz JMRWSVYRIFSSIL-HSALFYBXSA-N 1 3 407.603 0.994 20 0 HCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000672698094 1080762212 /nfs/dbraw/zinc/76/22/12/1080762212.db2.gz JMRWSVYRIFSSIL-HSALFYBXSA-N 1 3 407.603 0.994 20 0 HCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000672698095 1080762072 /nfs/dbraw/zinc/76/20/72/1080762072.db2.gz JMRWSVYRIFSSIL-SLFFLAALSA-N 1 3 407.603 0.994 20 0 HCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000672698096 1080762137 /nfs/dbraw/zinc/76/21/37/1080762137.db2.gz JMRWSVYRIFSSIL-VAMGGRTRSA-N 1 3 407.603 0.994 20 0 HCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000672698097 1080762360 /nfs/dbraw/zinc/76/23/60/1080762360.db2.gz JMRWSVYRIFSSIL-ZCNNSNEGSA-N 1 3 407.603 0.994 20 0 HCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000672698097 1080762353 /nfs/dbraw/zinc/76/23/53/1080762353.db2.gz JMRWSVYRIFSSIL-ZCNNSNEGSA-N 1 3 407.603 0.994 20 0 HCADHO CC1(C)CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCN1CCO ZINC000672799773 1080784814 /nfs/dbraw/zinc/78/48/14/1080784814.db2.gz NDWVFLYMVUBFSI-UHFFFAOYSA-N 1 3 404.559 0.692 20 0 HCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854510 1080800061 /nfs/dbraw/zinc/80/00/61/1080800061.db2.gz IHIGUXKNTHOJBO-FQEVSTJZSA-N 1 3 415.582 0.862 20 0 HCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000672854510 1080800057 /nfs/dbraw/zinc/80/00/57/1080800057.db2.gz IHIGUXKNTHOJBO-FQEVSTJZSA-N 1 3 415.582 0.862 20 0 HCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854511 1080799849 /nfs/dbraw/zinc/79/98/49/1080799849.db2.gz IHIGUXKNTHOJBO-HXUWFJFHSA-N 1 3 415.582 0.862 20 0 HCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000672854511 1080799844 /nfs/dbraw/zinc/79/98/44/1080799844.db2.gz IHIGUXKNTHOJBO-HXUWFJFHSA-N 1 3 415.582 0.862 20 0 HCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000672966769 1080835398 /nfs/dbraw/zinc/83/53/98/1080835398.db2.gz SAWRZIOIDYGCTK-UHFFFAOYSA-N 1 3 421.473 0.369 20 0 HCADHO CN(C)C1(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)Cc2ccccc2C1 ZINC000673095419 1080874378 /nfs/dbraw/zinc/87/43/78/1080874378.db2.gz DCEKANXADCQNBK-UHFFFAOYSA-N 1 3 407.518 0.946 20 0 HCADHO Cc1nccn1CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673129162 1080889823 /nfs/dbraw/zinc/88/98/23/1080889823.db2.gz MYJNQIDAYOUHIF-IBGZPJMESA-N 1 3 404.559 0.715 20 0 HCADHO Cc1nccn1CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673129162 1080889821 /nfs/dbraw/zinc/88/98/21/1080889821.db2.gz MYJNQIDAYOUHIF-IBGZPJMESA-N 1 3 404.559 0.715 20 0 HCADHO Cc1nccn1CCCCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673129162 1080889816 /nfs/dbraw/zinc/88/98/16/1080889816.db2.gz MYJNQIDAYOUHIF-IBGZPJMESA-N 1 3 404.559 0.715 20 0 HCADHO Cc1nccn1CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673129163 1080889735 /nfs/dbraw/zinc/88/97/35/1080889735.db2.gz MYJNQIDAYOUHIF-LJQANCHMSA-N 1 3 404.559 0.715 20 0 HCADHO Cc1nccn1CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673129163 1080889733 /nfs/dbraw/zinc/88/97/33/1080889733.db2.gz MYJNQIDAYOUHIF-LJQANCHMSA-N 1 3 404.559 0.715 20 0 HCADHO Cc1nccn1CCCCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673129163 1080889724 /nfs/dbraw/zinc/88/97/24/1080889724.db2.gz MYJNQIDAYOUHIF-LJQANCHMSA-N 1 3 404.559 0.715 20 0 HCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000673158579 1080898431 /nfs/dbraw/zinc/89/84/31/1080898431.db2.gz YXODJNMYXLFNQE-NXEWRWPSSA-N 1 3 420.602 0.491 20 0 HCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)C2 ZINC000673158579 1080898427 /nfs/dbraw/zinc/89/84/27/1080898427.db2.gz YXODJNMYXLFNQE-NXEWRWPSSA-N 1 3 420.602 0.491 20 0 HCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000673158580 1080898449 /nfs/dbraw/zinc/89/84/49/1080898449.db2.gz YXODJNMYXLFNQE-RAFMOHDBSA-N 1 3 420.602 0.491 20 0 HCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)C2 ZINC000673158580 1080898447 /nfs/dbraw/zinc/89/84/47/1080898447.db2.gz YXODJNMYXLFNQE-RAFMOHDBSA-N 1 3 420.602 0.491 20 0 HCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1c1ccccc1 ZINC000673264642 1080954307 /nfs/dbraw/zinc/95/43/07/1080954307.db2.gz LSUCDLRHBKCJCS-AEFFLSMTSA-N 1 3 403.527 0.248 20 0 HCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1c1ccccc1 ZINC000673264643 1080954244 /nfs/dbraw/zinc/95/42/44/1080954244.db2.gz LSUCDLRHBKCJCS-FUHWJXTLSA-N 1 3 403.527 0.248 20 0 HCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1c1ccccc1 ZINC000673264644 1080954171 /nfs/dbraw/zinc/95/41/71/1080954171.db2.gz LSUCDLRHBKCJCS-SJLPKXTDSA-N 1 3 403.527 0.248 20 0 HCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N1c1ccccc1 ZINC000673264645 1080954413 /nfs/dbraw/zinc/95/44/13/1080954413.db2.gz LSUCDLRHBKCJCS-WMZOPIPTSA-N 1 3 403.527 0.248 20 0 HCADHO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000673330097 1081008903 /nfs/dbraw/zinc/00/89/03/1081008903.db2.gz ZERVOMMETNBOBD-FQEVSTJZSA-N 1 3 414.550 0.956 20 0 HCADHO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000673330098 1081009172 /nfs/dbraw/zinc/00/91/72/1081009172.db2.gz ZERVOMMETNBOBD-HXUWFJFHSA-N 1 3 414.550 0.956 20 0 HCADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000673330308 1081004436 /nfs/dbraw/zinc/00/44/36/1081004436.db2.gz NOYQAIOLJYZKCZ-UHFFFAOYSA-N 1 3 402.539 0.814 20 0 HCADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000673426759 1081084235 /nfs/dbraw/zinc/08/42/35/1081084235.db2.gz BGLODGIBAJOCHW-KRWDZBQOSA-N 1 3 419.526 0.356 20 0 HCADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000673426759 1081084230 /nfs/dbraw/zinc/08/42/30/1081084230.db2.gz BGLODGIBAJOCHW-KRWDZBQOSA-N 1 3 419.526 0.356 20 0 HCADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000673426760 1081084060 /nfs/dbraw/zinc/08/40/60/1081084060.db2.gz BGLODGIBAJOCHW-QGZVFWFLSA-N 1 3 419.526 0.356 20 0 HCADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000673426760 1081084053 /nfs/dbraw/zinc/08/40/53/1081084053.db2.gz BGLODGIBAJOCHW-QGZVFWFLSA-N 1 3 419.526 0.356 20 0 HCADHO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)ccn1 ZINC000673582092 1081318623 /nfs/dbraw/zinc/31/86/23/1081318623.db2.gz QMOKUDGMXOHGIX-GOSISDBHSA-N 1 3 403.527 0.725 20 0 HCADHO C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)ccn1 ZINC000673582093 1081318555 /nfs/dbraw/zinc/31/85/55/1081318555.db2.gz QMOKUDGMXOHGIX-SFHVURJKSA-N 1 3 403.527 0.725 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584817 1081319909 /nfs/dbraw/zinc/31/99/09/1081319909.db2.gz OSUIJMJTKHULAD-MOPGFXCFSA-N 1 3 424.586 0.486 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584818 1081319822 /nfs/dbraw/zinc/31/98/22/1081319822.db2.gz OSUIJMJTKHULAD-OALUTQOASA-N 1 3 424.586 0.486 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584819 1081319931 /nfs/dbraw/zinc/31/99/31/1081319931.db2.gz OSUIJMJTKHULAD-RBUKOAKNSA-N 1 3 424.586 0.486 20 0 HCADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584820 1081319837 /nfs/dbraw/zinc/31/98/37/1081319837.db2.gz OSUIJMJTKHULAD-RTBURBONSA-N 1 3 424.586 0.486 20 0 HCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000673585010 1081319952 /nfs/dbraw/zinc/31/99/52/1081319952.db2.gz BBJOJIZIRKHKJN-FUMNGEBKSA-N 1 3 406.571 0.956 20 0 HCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000673585011 1081319741 /nfs/dbraw/zinc/31/97/41/1081319741.db2.gz BBJOJIZIRKHKJN-FYQPLNBISA-N 1 3 406.571 0.956 20 0 HCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673585012 1081319668 /nfs/dbraw/zinc/31/96/68/1081319668.db2.gz BBJOJIZIRKHKJN-IYWMVGAKSA-N 1 3 406.571 0.956 20 0 HCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673585013 1081319881 /nfs/dbraw/zinc/31/98/81/1081319881.db2.gz BBJOJIZIRKHKJN-WCIQWLHISA-N 1 3 406.571 0.956 20 0 HCADHO CC(C)c1cc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)n1 ZINC000682916534 1080939836 /nfs/dbraw/zinc/93/98/36/1080939836.db2.gz INIOZLJJDMWBMV-MSOLQXFVSA-N 1 3 406.575 0.606 20 0 HCADHO CC(C)c1cc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CCN(C[C@@H](C)O)CC2)n1 ZINC000682916535 1080939735 /nfs/dbraw/zinc/93/97/35/1080939735.db2.gz INIOZLJJDMWBMV-QZTJIDSGSA-N 1 3 406.575 0.606 20 0 HCADHO CC(C)c1cc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)n1 ZINC000682916536 1080939815 /nfs/dbraw/zinc/93/98/15/1080939815.db2.gz INIOZLJJDMWBMV-ROUUACIJSA-N 1 3 406.575 0.606 20 0 HCADHO CC(C)c1cc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CCN(C[C@@H](C)O)CC2)n1 ZINC000682916537 1080939938 /nfs/dbraw/zinc/93/99/38/1080939938.db2.gz INIOZLJJDMWBMV-ZWKOTPCHSA-N 1 3 406.575 0.606 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751463 1077651196 /nfs/dbraw/zinc/65/11/96/1077651196.db2.gz LEMXMHFVOHPYNT-FCGDIQPGSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751463 1077651194 /nfs/dbraw/zinc/65/11/94/1077651194.db2.gz LEMXMHFVOHPYNT-FCGDIQPGSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC000761751463 1077651193 /nfs/dbraw/zinc/65/11/93/1077651193.db2.gz LEMXMHFVOHPYNT-FCGDIQPGSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1 ZINC000761751463 1077651192 /nfs/dbraw/zinc/65/11/92/1077651192.db2.gz LEMXMHFVOHPYNT-FCGDIQPGSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC1 ZINC000761751766 1077653879 /nfs/dbraw/zinc/65/38/79/1077653879.db2.gz LEMXMHFVOHPYNT-MKXGPGLRSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC1 ZINC000761751766 1077653875 /nfs/dbraw/zinc/65/38/75/1077653875.db2.gz LEMXMHFVOHPYNT-MKXGPGLRSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751766 1077653863 /nfs/dbraw/zinc/65/38/63/1077653863.db2.gz LEMXMHFVOHPYNT-MKXGPGLRSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751766 1077653861 /nfs/dbraw/zinc/65/38/61/1077653861.db2.gz LEMXMHFVOHPYNT-MKXGPGLRSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751769 1077653745 /nfs/dbraw/zinc/65/37/45/1077653745.db2.gz LEMXMHFVOHPYNT-NCXUSEDFSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000761751769 1077653737 /nfs/dbraw/zinc/65/37/37/1077653737.db2.gz LEMXMHFVOHPYNT-NCXUSEDFSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC1 ZINC000761751772 1077654044 /nfs/dbraw/zinc/65/40/44/1077654044.db2.gz LEMXMHFVOHPYNT-QGFMHUBQSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC1 ZINC000761751772 1077654040 /nfs/dbraw/zinc/65/40/40/1077654040.db2.gz LEMXMHFVOHPYNT-QGFMHUBQSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCC1 ZINC000761751772 1077654024 /nfs/dbraw/zinc/65/40/24/1077654024.db2.gz LEMXMHFVOHPYNT-QGFMHUBQSA-N 1 3 420.554 0.116 20 0 HCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1 ZINC000761751772 1077654014 /nfs/dbraw/zinc/65/40/14/1077654014.db2.gz LEMXMHFVOHPYNT-QGFMHUBQSA-N 1 3 420.554 0.116 20 0 HCADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764467248 1079345978 /nfs/dbraw/zinc/34/59/78/1079345978.db2.gz OQUXJSRWKKQKTP-OUXIGPNZSA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764467248 1079345966 /nfs/dbraw/zinc/34/59/66/1079345966.db2.gz OQUXJSRWKKQKTP-OUXIGPNZSA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764467248 1079345956 /nfs/dbraw/zinc/34/59/56/1079345956.db2.gz OQUXJSRWKKQKTP-OUXIGPNZSA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764467249 1079346276 /nfs/dbraw/zinc/34/62/76/1079346276.db2.gz OQUXJSRWKKQKTP-XGSMPBFLSA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764467249 1079346271 /nfs/dbraw/zinc/34/62/71/1079346271.db2.gz OQUXJSRWKKQKTP-XGSMPBFLSA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764467249 1079346267 /nfs/dbraw/zinc/34/62/67/1079346267.db2.gz OQUXJSRWKKQKTP-XGSMPBFLSA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764467250 1079346252 /nfs/dbraw/zinc/34/62/52/1079346252.db2.gz OQUXJSRWKKQKTP-YVPLBCMISA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000764467250 1079346250 /nfs/dbraw/zinc/34/62/50/1079346250.db2.gz OQUXJSRWKKQKTP-YVPLBCMISA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764467250 1079346246 /nfs/dbraw/zinc/34/62/46/1079346246.db2.gz OQUXJSRWKKQKTP-YVPLBCMISA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764467251 1079346082 /nfs/dbraw/zinc/34/60/82/1079346082.db2.gz OQUXJSRWKKQKTP-ZAODVUJUSA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000764467251 1079346071 /nfs/dbraw/zinc/34/60/71/1079346071.db2.gz OQUXJSRWKKQKTP-ZAODVUJUSA-N 1 3 410.584 0.924 20 0 HCADHO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764467251 1079346060 /nfs/dbraw/zinc/34/60/60/1079346060.db2.gz OQUXJSRWKKQKTP-ZAODVUJUSA-N 1 3 410.584 0.924 20 0 HCADHO CC(C)CN1CCO[C@H](CNC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)C1 ZINC000764574584 1079353466 /nfs/dbraw/zinc/35/34/66/1079353466.db2.gz VTRBPRLASMHHGD-CRAIPNDOSA-N 1 3 406.483 0.798 20 0 HCADHO CC(C)CN1CCO[C@@H](CNC(=O)CONC(=[NH2+])[C@H]2COc3ccccc3O2)C1 ZINC000764575417 1079354253 /nfs/dbraw/zinc/35/42/53/1079354253.db2.gz VTRBPRLASMHHGD-MAUKXSAKSA-N 1 3 406.483 0.798 20 0 HCADHO CC(C)CN1CCO[C@H](CNC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)C1 ZINC000764575418 1079354406 /nfs/dbraw/zinc/35/44/06/1079354406.db2.gz VTRBPRLASMHHGD-QAPCUYQASA-N 1 3 406.483 0.798 20 0 HCADHO CC(C)CN1CCO[C@@H](CNC(=O)CONC(=[NH2+])[C@@H]2COc3ccccc3O2)C1 ZINC000764575420 1079354377 /nfs/dbraw/zinc/35/43/77/1079354377.db2.gz VTRBPRLASMHHGD-YJBOKZPZSA-N 1 3 406.483 0.798 20 0 HCADHO O=S(=O)(Cc1ccccc1)NCCNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000765276505 1079411271 /nfs/dbraw/zinc/41/12/71/1079411271.db2.gz ASYXQVTXDNCGGK-UHFFFAOYSA-N 1 3 410.584 0.492 20 0 HCADHO CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000765752210 1079587112 /nfs/dbraw/zinc/58/71/12/1079587112.db2.gz PFSWEEMCESTVHY-KRWDZBQOSA-N 1 3 415.604 0.986 20 0 HCADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1N1C(=O)CCC1=O ZINC000784392586 1077394249 /nfs/dbraw/zinc/39/42/49/1077394249.db2.gz JNNHRVFLOVHEIN-UHFFFAOYSA-N 1 3 417.510 0.539 20 0 HCADHO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000784393488 1077406484 /nfs/dbraw/zinc/40/64/84/1077406484.db2.gz KGMZQVACUGNFAV-KRWDZBQOSA-N 1 3 405.543 0.802 20 0 HCADHO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000784393490 1077407604 /nfs/dbraw/zinc/40/76/04/1077407604.db2.gz KGMZQVACUGNFAV-QGZVFWFLSA-N 1 3 405.543 0.802 20 0 HCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000784393563 1077402070 /nfs/dbraw/zinc/40/20/70/1077402070.db2.gz MHUPQNFUWKMJTN-UHFFFAOYSA-N 1 3 420.482 0.573 20 0 HCADHO Cc1c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cccc1N1CCOC1=O ZINC000784394072 1077398661 /nfs/dbraw/zinc/39/86/61/1077398661.db2.gz PGABJNYUUJEVOD-UHFFFAOYSA-N 1 3 405.499 0.842 20 0 HCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000784394121 1077399830 /nfs/dbraw/zinc/39/98/30/1077399830.db2.gz QAZLQDAVWDTPDR-UHFFFAOYSA-N 1 3 405.499 0.529 20 0 HCADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1N1CCOC1=O ZINC000784394880 1077417411 /nfs/dbraw/zinc/41/74/11/1077417411.db2.gz WPOPAWPKHVIRCS-UHFFFAOYSA-N 1 3 405.499 0.842 20 0 HCADHO C[C@H]1CN(c2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc2)CCO1 ZINC000784394885 1077417350 /nfs/dbraw/zinc/41/73/50/1077417350.db2.gz WUPRAMQFHRBEOW-KRWDZBQOSA-N 1 3 405.543 0.802 20 0 HCADHO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc2)CCO1 ZINC000784394886 1077417150 /nfs/dbraw/zinc/41/71/50/1077417150.db2.gz WUPRAMQFHRBEOW-QGZVFWFLSA-N 1 3 405.543 0.802 20 0 HCADHO CN1CCN(c2ccccc2NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000915758913 1077970071 /nfs/dbraw/zinc/97/00/71/1077970071.db2.gz IBKRPUUWGNKRSY-UHFFFAOYSA-N 1 3 416.570 0.519 20 0 HCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000915765877 1077971584 /nfs/dbraw/zinc/97/15/84/1077971584.db2.gz ARJKUBRKOWOSRW-FQEVSTJZSA-N 1 3 417.554 0.730 20 0 HCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000915765881 1077971436 /nfs/dbraw/zinc/97/14/36/1077971436.db2.gz ARJKUBRKOWOSRW-HXUWFJFHSA-N 1 3 417.554 0.730 20 0 HCADHO Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000918253786 1078376697 /nfs/dbraw/zinc/37/66/97/1078376697.db2.gz ZHOLSUHCFKMNJV-GOSISDBHSA-N 1 3 413.526 0.902 20 0 HCADHO Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000918253788 1078376633 /nfs/dbraw/zinc/37/66/33/1078376633.db2.gz ZHOLSUHCFKMNJV-SFHVURJKSA-N 1 3 413.526 0.902 20 0 HCADHO CCN1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000918260009 1078377757 /nfs/dbraw/zinc/37/77/57/1078377757.db2.gz LDQKCSSTYZKBHY-UHFFFAOYSA-N 1 3 416.570 0.521 20 0 HCADHO CCN1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000918260009 1078377752 /nfs/dbraw/zinc/37/77/52/1078377752.db2.gz LDQKCSSTYZKBHY-UHFFFAOYSA-N 1 3 416.570 0.521 20 0 HCADHO CCN1CCN(c2ccc(NC(=O)C(=O)NC3CC[NH+](CCOC)CC3)cc2)CC1 ZINC000920786953 1079207630 /nfs/dbraw/zinc/20/76/30/1079207630.db2.gz MQOCCEPMDQGFQW-UHFFFAOYSA-N 1 3 417.554 0.994 20 0 HCADHO COCCN1CCN(C)C2(CCN(c3cccc(N4CCC([NH3+])CC4)n3)CC2)C1=O ZINC001164642367 719278938 /nfs/dbraw/zinc/27/89/38/719278938.db2.gz ZYJKBKBQTOUCNM-UHFFFAOYSA-N 1 3 416.570 0.769 20 0 HCADHO C[NH+]1CCN(c2cccc(N(Cc3noc4c3CNCC4)S(C)(=O)=O)n2)CC1 ZINC001164654876 719327353 /nfs/dbraw/zinc/32/73/53/719327353.db2.gz NIUVUUIIOHJGBZ-UHFFFAOYSA-N 1 3 406.512 0.433 20 0 HCADHO CN1CCN(c2cccc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)n2)CC1 ZINC001164654876 719327349 /nfs/dbraw/zinc/32/73/49/719327349.db2.gz NIUVUUIIOHJGBZ-UHFFFAOYSA-N 1 3 406.512 0.433 20 0 HCADHO CC(C)N(C)Cc1nn(-c2nc3c(c(N4CCOCC4)n2)CNC3)c2c1CC[NH2+]C2 ZINC001164680563 719635766 /nfs/dbraw/zinc/63/57/66/719635766.db2.gz WEDRTNKUDZEXKP-UHFFFAOYSA-N 1 3 412.542 0.588 20 0 HCADHO CC(C)N(C)Cc1nn(-c2nc(N3CCOCC3)nc3c2CCN3)c2c1CC[NH2+]C2 ZINC001164684293 719614583 /nfs/dbraw/zinc/61/45/83/719614583.db2.gz OGTHENWNYMSRLE-UHFFFAOYSA-N 1 3 412.542 0.953 20 0 HCADHO CNC(=O)CN1CCOC[C@]2(CCCN(c3cccc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001164720426 720263965 /nfs/dbraw/zinc/26/39/65/720263965.db2.gz VQAGTHFFECXROI-JOCHJYFZSA-N 1 3 416.570 0.498 20 0 HCADHO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cccc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001164720427 720265808 /nfs/dbraw/zinc/26/58/08/720265808.db2.gz VQAGTHFFECXROI-QFIPXVFZSA-N 1 3 416.570 0.498 20 0 HCADHO CNC(=O)CN1CCOC[C@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)n3)C2)C1 ZINC001164721584 720275466 /nfs/dbraw/zinc/27/54/66/720275466.db2.gz LKLGFIOXQMYBGF-JOCHJYFZSA-N 1 3 416.570 0.674 20 0 HCADHO CNC(=O)CN1CCOC[C@@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)n3)C2)C1 ZINC001164721585 720274510 /nfs/dbraw/zinc/27/45/10/720274510.db2.gz LKLGFIOXQMYBGF-QFIPXVFZSA-N 1 3 416.570 0.674 20 0 HCADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746714 720794845 /nfs/dbraw/zinc/79/48/45/720794845.db2.gz MUUZYFRQGCQWRQ-MSOLQXFVSA-N 1 3 411.510 0.987 20 0 HCADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746715 720793701 /nfs/dbraw/zinc/79/37/01/720793701.db2.gz MUUZYFRQGCQWRQ-QZTJIDSGSA-N 1 3 411.510 0.987 20 0 HCADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746716 720794397 /nfs/dbraw/zinc/79/43/97/720794397.db2.gz MUUZYFRQGCQWRQ-ROUUACIJSA-N 1 3 411.510 0.987 20 0 HCADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164746717 720795629 /nfs/dbraw/zinc/79/56/29/720795629.db2.gz MUUZYFRQGCQWRQ-ZWKOTPCHSA-N 1 3 411.510 0.987 20 0 HCADHO CN1CCN(c2cccc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)n2)CC1 ZINC001164751763 720958686 /nfs/dbraw/zinc/95/86/86/720958686.db2.gz UAHUHKFQKDPSCC-UHFFFAOYSA-N 1 3 413.526 0.676 20 0 HCADHO CN1CCN(c2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nn2)CC1 ZINC001164795278 721509708 /nfs/dbraw/zinc/50/97/08/721509708.db2.gz JGQZTIKMYSMBGI-UHFFFAOYSA-N 1 3 411.558 0.193 20 0 HCADHO CN1CCN(Cc2cn3c(n2)CN(c2cccc(N4CCC([NH3+])CC4)n2)CC3)CC1 ZINC001164796810 721517513 /nfs/dbraw/zinc/51/75/13/721517513.db2.gz CSYAUSJJQHKAKT-UHFFFAOYSA-N 1 3 410.570 0.973 20 0 HCADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884447 721392755 /nfs/dbraw/zinc/39/27/55/721392755.db2.gz BAKIDBRULSTUKC-DENIHFKCSA-N 1 3 415.586 0.652 20 0 HCADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884448 721392566 /nfs/dbraw/zinc/39/25/66/721392566.db2.gz BAKIDBRULSTUKC-KNQAVFIVSA-N 1 3 415.586 0.652 20 0 HCADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884449 721392861 /nfs/dbraw/zinc/39/28/61/721392861.db2.gz BAKIDBRULSTUKC-SIKLNZKXSA-N 1 3 415.586 0.652 20 0 HCADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164884450 721392818 /nfs/dbraw/zinc/39/28/18/721392818.db2.gz BAKIDBRULSTUKC-UGKGYDQZSA-N 1 3 415.586 0.652 20 0 HCADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890604 721416044 /nfs/dbraw/zinc/41/60/44/721416044.db2.gz UDOYSOLWGKBZGM-DENIHFKCSA-N 1 3 415.586 0.652 20 0 HCADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890608 721416554 /nfs/dbraw/zinc/41/65/54/721416554.db2.gz UDOYSOLWGKBZGM-KNQAVFIVSA-N 1 3 415.586 0.652 20 0 HCADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890612 721416708 /nfs/dbraw/zinc/41/67/08/721416708.db2.gz UDOYSOLWGKBZGM-SIKLNZKXSA-N 1 3 415.586 0.652 20 0 HCADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cncc(N5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164890615 721416715 /nfs/dbraw/zinc/41/67/15/721416715.db2.gz UDOYSOLWGKBZGM-UGKGYDQZSA-N 1 3 415.586 0.652 20 0 HCADHO CN1CCN(c2ncnc3c2CCN(c2cccc(N4CC[NH+](C)CC4)n2)CC3)CC1 ZINC001164997213 722235643 /nfs/dbraw/zinc/23/56/43/722235643.db2.gz NZRZMXFTVLORGP-UHFFFAOYSA-N 1 3 422.581 0.980 20 0 HCADHO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(N3CCN(C)CC3)nn2)CC1 ZINC001165007478 721730926 /nfs/dbraw/zinc/73/09/26/721730926.db2.gz DTIHNAMEYQNDJN-UHFFFAOYSA-N 1 3 401.559 0.751 20 0 HCADHO COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168735241 1081362893 /nfs/dbraw/zinc/36/28/93/1081362893.db2.gz KLIRGQYXHIENPA-HNNXBMFYSA-N 1 3 406.531 0.781 20 0 HCADHO COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168735243 1081362603 /nfs/dbraw/zinc/36/26/03/1081362603.db2.gz KLIRGQYXHIENPA-OAHLLOKOSA-N 1 3 406.531 0.781 20 0 HCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)CC1 ZINC001299265319 1079270447 /nfs/dbraw/zinc/27/04/47/1079270447.db2.gz CJGBGAPSXLNYSN-UHFFFAOYSA-N 1 3 405.547 0.470 20 0 HCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670985552 1080059850 /nfs/dbraw/zinc/05/98/50/1080059850.db2.gz UUMBQLJAIBBGLX-BQFCYCMXSA-N 1 3 404.577 0.294 20 0 HCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670985552 1080059838 /nfs/dbraw/zinc/05/98/38/1080059838.db2.gz UUMBQLJAIBBGLX-BQFCYCMXSA-N 1 3 404.577 0.294 20 0 HCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670985554 1080059599 /nfs/dbraw/zinc/05/95/99/1080059599.db2.gz UUMBQLJAIBBGLX-JZXOWHBKSA-N 1 3 404.577 0.294 20 0 HCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001670985554 1080059592 /nfs/dbraw/zinc/05/95/92/1080059592.db2.gz UUMBQLJAIBBGLX-JZXOWHBKSA-N 1 3 404.577 0.294 20 0 HCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670985556 1080059903 /nfs/dbraw/zinc/05/99/03/1080059903.db2.gz UUMBQLJAIBBGLX-LZLYRXPVSA-N 1 3 404.577 0.294 20 0 HCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670985556 1080059893 /nfs/dbraw/zinc/05/98/93/1080059893.db2.gz UUMBQLJAIBBGLX-LZLYRXPVSA-N 1 3 404.577 0.294 20 0 HCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670985559 1080059537 /nfs/dbraw/zinc/05/95/37/1080059537.db2.gz UUMBQLJAIBBGLX-XYJFISCASA-N 1 3 404.577 0.294 20 0 HCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001670985559 1080059526 /nfs/dbraw/zinc/05/95/26/1080059526.db2.gz UUMBQLJAIBBGLX-XYJFISCASA-N 1 3 404.577 0.294 20 0 HCADHO