smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC(=O)N(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000050801025 483893914 /nfs/dbraw/zinc/89/39/14/483893914.db2.gz KVAFSLUFLWQETO-UHFFFAOYSA-N 1 3 351.451 -0.445 20 0 FBADHO Cn1c(=O)ccn(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1=O ZINC000050801299 243113485 /nfs/dbraw/zinc/11/34/85/243113485.db2.gz PYQHLLXAZQHCEB-UHFFFAOYSA-N 1 3 363.462 -0.778 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCNS(C)(=O)=O)CC2)CC1 ZINC000051758808 483863020 /nfs/dbraw/zinc/86/30/20/483863020.db2.gz MHDUDNONCILKAS-UHFFFAOYSA-N 1 3 361.512 -0.607 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000073729049 484473184 /nfs/dbraw/zinc/47/31/84/484473184.db2.gz YSRDKBFLZNMXJN-SJORKVTESA-N 1 3 365.522 -0.365 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000073729049 484473177 /nfs/dbraw/zinc/47/31/77/484473177.db2.gz YSRDKBFLZNMXJN-SJORKVTESA-N 1 3 365.522 -0.365 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000073729050 484472810 /nfs/dbraw/zinc/47/28/10/484472810.db2.gz YSRDKBFLZNMXJN-IAGOWNOFSA-N 1 3 365.522 -0.365 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000073729050 484472807 /nfs/dbraw/zinc/47/28/07/484472807.db2.gz YSRDKBFLZNMXJN-IAGOWNOFSA-N 1 3 365.522 -0.365 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000074171031 484472576 /nfs/dbraw/zinc/47/25/76/484472576.db2.gz DGORTHTXAHUYRC-DLBZAZTESA-N 1 3 354.543 -0.195 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000074171032 484472163 /nfs/dbraw/zinc/47/21/63/484472163.db2.gz DGORTHTXAHUYRC-IAGOWNOFSA-N 1 3 354.543 -0.195 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000074171033 484473213 /nfs/dbraw/zinc/47/32/13/484473213.db2.gz DGORTHTXAHUYRC-IRXDYDNUSA-N 1 3 354.543 -0.195 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000074171034 484472763 /nfs/dbraw/zinc/47/27/63/484472763.db2.gz DGORTHTXAHUYRC-SJORKVTESA-N 1 3 354.543 -0.195 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074363240 484472350 /nfs/dbraw/zinc/47/23/50/484472350.db2.gz IRPWNZKTOCVSNE-MRXNPFEDSA-N 1 3 353.511 -0.508 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074363243 484472679 /nfs/dbraw/zinc/47/26/79/484472679.db2.gz IRPWNZKTOCVSNE-INIZCTEOSA-N 1 3 353.511 -0.508 20 0 FBADHO CNC(=O)CN1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000077775756 484778302 /nfs/dbraw/zinc/77/83/02/484778302.db2.gz MWFZOHGLDSQLAW-UHFFFAOYSA-N 1 3 356.515 -0.668 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000077835566 484778695 /nfs/dbraw/zinc/77/86/95/484778695.db2.gz QDOYBQHCUZXBBN-HNNXBMFYSA-N 1 3 365.482 -0.340 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000077835569 484777651 /nfs/dbraw/zinc/77/76/51/484777651.db2.gz QDOYBQHCUZXBBN-OAHLLOKOSA-N 1 3 365.482 -0.340 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1=O ZINC000081235337 484027178 /nfs/dbraw/zinc/02/71/78/484027178.db2.gz RULRYZOFKQHNII-QGZVFWFLSA-N 1 3 365.522 -0.364 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1=O ZINC000081235339 484025979 /nfs/dbraw/zinc/02/59/79/484025979.db2.gz RULRYZOFKQHNII-KRWDZBQOSA-N 1 3 365.522 -0.364 20 0 FBADHO CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000103151016 484583020 /nfs/dbraw/zinc/58/30/20/484583020.db2.gz XHCPDXZDUMJUMD-UHFFFAOYSA-N 1 3 365.522 -0.173 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000103212883 484472084 /nfs/dbraw/zinc/47/20/84/484472084.db2.gz GOEBISUXHAHRRG-UHFFFAOYSA-N 1 3 361.446 -0.358 20 0 FBADHO C[C@@H](CN1CCN(C)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000106526710 484501277 /nfs/dbraw/zinc/50/12/77/484501277.db2.gz ZHIHCIRJRLLGNB-INIZCTEOSA-N 1 3 354.543 -0.053 20 0 FBADHO C[C@H](CN1CCN(C)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000106526712 484500884 /nfs/dbraw/zinc/50/08/84/484500884.db2.gz ZHIHCIRJRLLGNB-MRXNPFEDSA-N 1 3 354.543 -0.053 20 0 FBADHO CN(C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000118094096 243160416 /nfs/dbraw/zinc/16/04/16/243160416.db2.gz JRHRUYPWSWAFKJ-UHFFFAOYSA-N 1 3 363.418 -0.228 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCCS3(=O)=O)CC2)CC1 ZINC000124359398 243168539 /nfs/dbraw/zinc/16/85/39/243168539.db2.gz BRFOMACMRROJCI-UHFFFAOYSA-N 1 3 358.508 -0.303 20 0 FBADHO CN1CCCN(C(=O)C[C@]2(C(=O)N3CCCN(C)CC3)CC[NH2+]C2)CC1 ZINC000125300222 484523621 /nfs/dbraw/zinc/52/36/21/484523621.db2.gz BDNVWWHNBVRVNK-LJQANCHMSA-N 1 3 365.522 -0.316 20 0 FBADHO CN1CCCN(C(=O)C[C@@]2(C(=O)N3CCCN(C)CC3)CC[NH2+]C2)CC1 ZINC000125300457 484523171 /nfs/dbraw/zinc/52/31/71/484523171.db2.gz BDNVWWHNBVRVNK-IBGZPJMESA-N 1 3 365.522 -0.316 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000125560328 484525006 /nfs/dbraw/zinc/52/50/06/484525006.db2.gz LXNRIHQUYLINMX-CQSZACIVSA-N 1 3 351.451 -0.589 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000125560328 484525001 /nfs/dbraw/zinc/52/50/01/484525001.db2.gz LXNRIHQUYLINMX-CQSZACIVSA-N 1 3 351.451 -0.589 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000125560592 484524503 /nfs/dbraw/zinc/52/45/03/484524503.db2.gz LXNRIHQUYLINMX-AWEZNQCLSA-N 1 3 351.451 -0.589 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000125560592 484524500 /nfs/dbraw/zinc/52/45/00/484524500.db2.gz LXNRIHQUYLINMX-AWEZNQCLSA-N 1 3 351.451 -0.589 20 0 FBADHO CN(CCC[NH+]1CCN(C)CC1)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000129791754 484634422 /nfs/dbraw/zinc/63/44/22/484634422.db2.gz ASEKPLUCBAVNEP-UHFFFAOYSA-N 1 3 369.554 -0.217 20 0 FBADHO Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130534062 484663009 /nfs/dbraw/zinc/66/30/09/484663009.db2.gz WCVCTMROZVEGKC-UHFFFAOYSA-N 1 3 351.451 -0.416 20 0 FBADHO CCn1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1=O ZINC000130543973 484662807 /nfs/dbraw/zinc/66/28/07/484662807.db2.gz YQEPPDLKSQXYCS-UHFFFAOYSA-N 1 3 351.451 -0.242 20 0 FBADHO Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130589727 484665267 /nfs/dbraw/zinc/66/52/67/484665267.db2.gz OXILZBMXRNMBSE-UHFFFAOYSA-N 1 3 351.451 -0.416 20 0 FBADHO C[C@@H](CNC(=O)N1CCN(CC(C)(C)O)CC1)C[NH+]1CCN(C)CC1 ZINC000151976175 243188133 /nfs/dbraw/zinc/18/81/33/243188133.db2.gz ZJNWTUINHVTGSO-INIZCTEOSA-N 1 3 355.527 -0.032 20 0 FBADHO C[C@H](CNC(=O)N1CCN(CC(C)(C)O)CC1)C[NH+]1CCN(C)CC1 ZINC000151976250 243186044 /nfs/dbraw/zinc/18/60/44/243186044.db2.gz ZJNWTUINHVTGSO-MRXNPFEDSA-N 1 3 355.527 -0.032 20 0 FBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000156003462 485259326 /nfs/dbraw/zinc/25/93/26/485259326.db2.gz DVXLSZLRLICREH-JKSUJKDBSA-N 1 3 353.511 -0.461 20 0 FBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000156003585 485259443 /nfs/dbraw/zinc/25/94/43/485259443.db2.gz DVXLSZLRLICREH-HZPDHXFCSA-N 1 3 353.511 -0.461 20 0 FBADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000156003705 485259301 /nfs/dbraw/zinc/25/93/01/485259301.db2.gz DVXLSZLRLICREH-HOTGVXAUSA-N 1 3 353.511 -0.461 20 0 FBADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000156003823 485259704 /nfs/dbraw/zinc/25/97/04/485259704.db2.gz DVXLSZLRLICREH-CVEARBPZSA-N 1 3 353.511 -0.461 20 0 FBADHO CN(CCNS(=O)(=O)c1cnn(C)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000162192578 484366332 /nfs/dbraw/zinc/36/63/32/484366332.db2.gz PJFQBLBTEXJPGW-UHFFFAOYSA-N 1 3 372.539 -0.344 20 0 FBADHO CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000162337011 243201262 /nfs/dbraw/zinc/20/12/62/243201262.db2.gz IWMMXZQRMFQOLL-KRWDZBQOSA-N 1 3 365.522 -0.175 20 0 FBADHO CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000162337126 243202094 /nfs/dbraw/zinc/20/20/94/243202094.db2.gz IWMMXZQRMFQOLL-QGZVFWFLSA-N 1 3 365.522 -0.175 20 0 FBADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000171658645 484008245 /nfs/dbraw/zinc/00/82/45/484008245.db2.gz WYLADQBXDOFBRL-MRXNPFEDSA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CCN(C(=O)[C@H](C)N2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000171658648 484008650 /nfs/dbraw/zinc/00/86/50/484008650.db2.gz WYLADQBXDOFBRL-INIZCTEOSA-N 1 3 367.538 -0.071 20 0 FBADHO C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)CN1CCN(C)CC1 ZINC000174824909 484203950 /nfs/dbraw/zinc/20/39/50/484203950.db2.gz YKXBLRLGYARKBV-INIZCTEOSA-N 1 3 355.527 -0.127 20 0 FBADHO C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)CN1CCN(C)CC1 ZINC000174824921 484203994 /nfs/dbraw/zinc/20/39/94/484203994.db2.gz YKXBLRLGYARKBV-MRXNPFEDSA-N 1 3 355.527 -0.127 20 0 FBADHO CCS(=O)(=O)N(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176289597 535654668 /nfs/dbraw/zinc/65/46/68/535654668.db2.gz OHQASNJOKGACQJ-UHFFFAOYSA-N 1 3 360.524 -0.057 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000177118227 484224897 /nfs/dbraw/zinc/22/48/97/484224897.db2.gz DOEPAYMEJGXRPY-OAHLLOKOSA-N 1 3 353.511 -0.461 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000177118242 484225164 /nfs/dbraw/zinc/22/51/64/484225164.db2.gz DOEPAYMEJGXRPY-HNNXBMFYSA-N 1 3 353.511 -0.461 20 0 FBADHO CNC(=O)[C@@H]1CCC[N@H+](CCOCCN2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699684 484234784 /nfs/dbraw/zinc/23/47/84/484234784.db2.gz HERBDIVBSRRIBY-IYBDPMFKSA-N 1 3 354.495 -0.081 20 0 FBADHO CNC(=O)[C@@H]1CCC[N@@H+](CCOCCN2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699684 484234780 /nfs/dbraw/zinc/23/47/80/484234780.db2.gz HERBDIVBSRRIBY-IYBDPMFKSA-N 1 3 354.495 -0.081 20 0 FBADHO CNC(=O)[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699684 484234777 /nfs/dbraw/zinc/23/47/77/484234777.db2.gz HERBDIVBSRRIBY-IYBDPMFKSA-N 1 3 354.495 -0.081 20 0 FBADHO CNC(=O)[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699684 484234775 /nfs/dbraw/zinc/23/47/75/484234775.db2.gz HERBDIVBSRRIBY-IYBDPMFKSA-N 1 3 354.495 -0.081 20 0 FBADHO CNC(=O)[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699699 484234234 /nfs/dbraw/zinc/23/42/34/484234234.db2.gz HERBDIVBSRRIBY-HOTGVXAUSA-N 1 3 354.495 -0.081 20 0 FBADHO CNC(=O)[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000178699699 484234229 /nfs/dbraw/zinc/23/42/29/484234229.db2.gz HERBDIVBSRRIBY-HOTGVXAUSA-N 1 3 354.495 -0.081 20 0 FBADHO CCN1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000178738874 243227714 /nfs/dbraw/zinc/22/77/14/243227714.db2.gz CHFKGOJJTFEJQI-SJORKVTESA-N 1 3 365.522 -0.223 20 0 FBADHO CCN1CCN(C(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000178738890 243225475 /nfs/dbraw/zinc/22/54/75/243225475.db2.gz CHFKGOJJTFEJQI-IAGOWNOFSA-N 1 3 365.522 -0.223 20 0 FBADHO COC(=O)Cn1cc(CCN(C)CCN(C)C2CC[NH+](C)CC2)nn1 ZINC000180965084 484212545 /nfs/dbraw/zinc/21/25/45/484212545.db2.gz IOVUBBPQZMUCHC-UHFFFAOYSA-N 1 3 352.483 -0.049 20 0 FBADHO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182963887 484287177 /nfs/dbraw/zinc/28/71/77/484287177.db2.gz FCNAGODDFPWUQB-HNNXBMFYSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182963906 484288122 /nfs/dbraw/zinc/28/81/22/484288122.db2.gz FCNAGODDFPWUQB-OAHLLOKOSA-N 1 3 353.511 -0.319 20 0 FBADHO CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000183919372 243240333 /nfs/dbraw/zinc/24/03/33/243240333.db2.gz JMOGVWLBVSBQKG-HZPDHXFCSA-N 1 3 354.495 -0.250 20 0 FBADHO CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000183919372 243240330 /nfs/dbraw/zinc/24/03/30/243240330.db2.gz JMOGVWLBVSBQKG-HZPDHXFCSA-N 1 3 354.495 -0.250 20 0 FBADHO CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000183919391 243237757 /nfs/dbraw/zinc/23/77/57/243237757.db2.gz JMOGVWLBVSBQKG-CVEARBPZSA-N 1 3 354.495 -0.250 20 0 FBADHO CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000183919391 243237745 /nfs/dbraw/zinc/23/77/45/243237745.db2.gz JMOGVWLBVSBQKG-CVEARBPZSA-N 1 3 354.495 -0.250 20 0 FBADHO OCCN1CCCN(c2cc(N3CCC[N@@H+](CCO)CC3)ncn2)CC1 ZINC000185358888 243244577 /nfs/dbraw/zinc/24/45/77/243244577.db2.gz YCENAWQNFALFDP-UHFFFAOYSA-N 1 3 364.494 -0.515 20 0 FBADHO OCCN1CCCN(c2cc(N3CCC[N@H+](CCO)CC3)ncn2)CC1 ZINC000185358888 243244570 /nfs/dbraw/zinc/24/45/70/243244570.db2.gz YCENAWQNFALFDP-UHFFFAOYSA-N 1 3 364.494 -0.515 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000192812621 484319222 /nfs/dbraw/zinc/31/92/22/484319222.db2.gz UGJOUTPMLHQRPH-HNNXBMFYSA-N 1 3 361.512 -0.348 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000192812637 484319437 /nfs/dbraw/zinc/31/94/37/484319437.db2.gz UGJOUTPMLHQRPH-OAHLLOKOSA-N 1 3 361.512 -0.348 20 0 FBADHO CN(C)CC[NH+]1CCC(NC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000193270135 483907853 /nfs/dbraw/zinc/90/78/53/483907853.db2.gz HILAQKHZYUIMGH-UHFFFAOYSA-N 1 3 368.526 -0.524 20 0 FBADHO CCN1CCN(CCC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000193707155 535677220 /nfs/dbraw/zinc/67/72/20/535677220.db2.gz OXIUAVMDIZUNMF-MRXNPFEDSA-N 1 3 353.511 -0.140 20 0 FBADHO CCN1CCN(CCC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000193707169 535676134 /nfs/dbraw/zinc/67/61/34/535676134.db2.gz OXIUAVMDIZUNMF-INIZCTEOSA-N 1 3 353.511 -0.140 20 0 FBADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237889731 485132020 /nfs/dbraw/zinc/13/20/20/485132020.db2.gz XOOVRDDQGNPERX-JYJNAYRXSA-N 1 3 352.479 -0.138 20 0 FBADHO O=C(CNC[C@H]1CCCO1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237923365 485137918 /nfs/dbraw/zinc/13/79/18/485137918.db2.gz XOOVRDDQGNPERX-XHSDSOJGSA-N 1 3 352.479 -0.138 20 0 FBADHO CNC(=O)[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000246933105 484967920 /nfs/dbraw/zinc/96/79/20/484967920.db2.gz HERBDIVBSRRIBY-HZPDHXFCSA-N 1 3 354.495 -0.081 20 0 FBADHO CNC(=O)[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000246933105 484967911 /nfs/dbraw/zinc/96/79/11/484967911.db2.gz HERBDIVBSRRIBY-HZPDHXFCSA-N 1 3 354.495 -0.081 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000248633837 243278423 /nfs/dbraw/zinc/27/84/23/243278423.db2.gz PUKDSXAKQVFSQA-BBWFWOEESA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](CNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000248633839 484139128 /nfs/dbraw/zinc/13/91/28/484139128.db2.gz PUKDSXAKQVFSQA-IKGGRYGDSA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000248633840 243274428 /nfs/dbraw/zinc/27/44/28/243274428.db2.gz PUKDSXAKQVFSQA-ULQDDVLXSA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](CNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000248633841 484139803 /nfs/dbraw/zinc/13/98/03/484139803.db2.gz PUKDSXAKQVFSQA-ZACQAIPSSA-N 1 3 355.527 -0.034 20 0 FBADHO CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000248634174 243277024 /nfs/dbraw/zinc/27/70/24/243277024.db2.gz JMOGVWLBVSBQKG-HOTGVXAUSA-N 1 3 354.495 -0.250 20 0 FBADHO CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000248634174 243277016 /nfs/dbraw/zinc/27/70/16/243277016.db2.gz JMOGVWLBVSBQKG-HOTGVXAUSA-N 1 3 354.495 -0.250 20 0 FBADHO CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000248634181 243277383 /nfs/dbraw/zinc/27/73/83/243277383.db2.gz JMOGVWLBVSBQKG-JKSUJKDBSA-N 1 3 354.495 -0.250 20 0 FBADHO CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000248634181 243277380 /nfs/dbraw/zinc/27/73/80/243277380.db2.gz JMOGVWLBVSBQKG-JKSUJKDBSA-N 1 3 354.495 -0.250 20 0 FBADHO NS(=O)(=O)c1ccc(OCCN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261674524 243279731 /nfs/dbraw/zinc/27/97/31/243279731.db2.gz MBZTZGXKWARUNH-CYBMUJFWSA-N 1 3 370.475 -0.500 20 0 FBADHO NS(=O)(=O)c1ccc(OCCN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261674526 243281112 /nfs/dbraw/zinc/28/11/12/243281112.db2.gz MBZTZGXKWARUNH-ZDUSSCGKSA-N 1 3 370.475 -0.500 20 0 FBADHO CCN1CCN(CCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261760650 535682063 /nfs/dbraw/zinc/68/20/63/535682063.db2.gz FWJIOLOPWHXRFO-AWEZNQCLSA-N 1 3 365.444 -0.034 20 0 FBADHO CCN1CCN(CCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261760652 243282308 /nfs/dbraw/zinc/28/23/08/243282308.db2.gz FWJIOLOPWHXRFO-CQSZACIVSA-N 1 3 365.444 -0.034 20 0 FBADHO CC1(C)NC(=O)N(CCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261829350 534980746 /nfs/dbraw/zinc/98/07/46/534980746.db2.gz KUTQIPBVMKLRAT-KBPBESRZSA-N 1 3 365.478 -0.103 20 0 FBADHO CC1(C)NC(=O)N(CCN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000261829351 534980428 /nfs/dbraw/zinc/98/04/28/534980428.db2.gz KUTQIPBVMKLRAT-KGLIPLIRSA-N 1 3 365.478 -0.103 20 0 FBADHO CC1(C)NC(=O)N(CCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261829353 534979734 /nfs/dbraw/zinc/97/97/34/534979734.db2.gz KUTQIPBVMKLRAT-UONOGXRCSA-N 1 3 365.478 -0.103 20 0 FBADHO CC1(C)NC(=O)N(CCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000261829355 534980593 /nfs/dbraw/zinc/98/05/93/534980593.db2.gz KUTQIPBVMKLRAT-ZIAGYGMSSA-N 1 3 365.478 -0.103 20 0 FBADHO CN1CCN(C(=O)CC2CC[NH+](CCC(=O)N3CCNCC3)CC2)CC1 ZINC000262077902 243296393 /nfs/dbraw/zinc/29/63/93/243296393.db2.gz KJZOSKARWJFQOX-UHFFFAOYSA-N 1 3 365.522 -0.316 20 0 FBADHO COCC1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]CC1 ZINC000262357628 243313703 /nfs/dbraw/zinc/31/37/03/243313703.db2.gz JSZWOVAJUDSJSB-UHFFFAOYSA-N 1 3 352.479 -0.231 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)Nc2ccccc2C(=O)NCC[NH3+])CC1=O ZINC000262412137 243315535 /nfs/dbraw/zinc/31/55/35/243315535.db2.gz OFQPBPSVXKVBHM-CYBMUJFWSA-N 1 3 361.446 -0.276 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)Nc2ccccc2C(=O)NCC[NH3+])CC1=O ZINC000262412139 535878845 /nfs/dbraw/zinc/87/88/45/535878845.db2.gz OFQPBPSVXKVBHM-ZDUSSCGKSA-N 1 3 361.446 -0.276 20 0 FBADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262564168 243325094 /nfs/dbraw/zinc/32/50/94/243325094.db2.gz XITYFDIOUQOOHL-DLBZAZTESA-N 1 3 360.458 -0.149 20 0 FBADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262564175 243325426 /nfs/dbraw/zinc/32/54/26/243325426.db2.gz XITYFDIOUQOOHL-IAGOWNOFSA-N 1 3 360.458 -0.149 20 0 FBADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262564181 243324813 /nfs/dbraw/zinc/32/48/13/243324813.db2.gz XITYFDIOUQOOHL-IRXDYDNUSA-N 1 3 360.458 -0.149 20 0 FBADHO O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262564188 243326401 /nfs/dbraw/zinc/32/64/01/243326401.db2.gz XITYFDIOUQOOHL-SJORKVTESA-N 1 3 360.458 -0.149 20 0 FBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)cn1 ZINC000262753087 535883214 /nfs/dbraw/zinc/88/32/14/535883214.db2.gz GYLGFQGAYQYEMO-GFCCVEGCSA-N 1 3 354.480 -0.406 20 0 FBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CSCC[NH2+]2)cn1 ZINC000262753088 535883005 /nfs/dbraw/zinc/88/30/05/535883005.db2.gz GYLGFQGAYQYEMO-LBPRGKRZSA-N 1 3 354.480 -0.406 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1=O ZINC000262789501 535880946 /nfs/dbraw/zinc/88/09/46/535880946.db2.gz MWBJFENTOQEXOY-CABCVRRESA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1=O ZINC000262789508 535877170 /nfs/dbraw/zinc/87/71/70/535877170.db2.gz MWBJFENTOQEXOY-GJZGRUSLSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1=O ZINC000262789515 535881043 /nfs/dbraw/zinc/88/10/43/535881043.db2.gz MWBJFENTOQEXOY-HUUCEWRRSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1=O ZINC000262789521 535877639 /nfs/dbraw/zinc/87/76/39/535877639.db2.gz MWBJFENTOQEXOY-LSDHHAIUSA-N 1 3 367.494 -0.757 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263262461 243350742 /nfs/dbraw/zinc/35/07/42/243350742.db2.gz TULVKFDPAGULJY-INIZCTEOSA-N 1 3 355.483 -0.902 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC1=O ZINC000269175002 483449430 /nfs/dbraw/zinc/44/94/30/483449430.db2.gz XIVBXFZZZHDFID-AWEZNQCLSA-N 1 3 360.462 -0.160 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC1=O ZINC000269175005 483449573 /nfs/dbraw/zinc/44/95/73/483449573.db2.gz XIVBXFZZZHDFID-CQSZACIVSA-N 1 3 360.462 -0.160 20 0 FBADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000269307798 483454404 /nfs/dbraw/zinc/45/44/04/483454404.db2.gz VAMRRAXQXQAQKW-HZPDHXFCSA-N 1 3 362.474 -0.002 20 0 FBADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000269307799 483453623 /nfs/dbraw/zinc/45/36/23/483453623.db2.gz VAMRRAXQXQAQKW-JKSUJKDBSA-N 1 3 362.474 -0.002 20 0 FBADHO NC(=O)C[C@H](N)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000269591755 483470025 /nfs/dbraw/zinc/47/00/25/483470025.db2.gz CMNQUEOATNIMNS-KRWDZBQOSA-N 1 3 361.490 -0.097 20 0 FBADHO NC(=O)C[C@@H](N)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000269591756 483469190 /nfs/dbraw/zinc/46/91/90/483469190.db2.gz CMNQUEOATNIMNS-QGZVFWFLSA-N 1 3 361.490 -0.097 20 0 FBADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000269913604 483490381 /nfs/dbraw/zinc/49/03/81/483490381.db2.gz OHIMZZMVXHQZDU-GOSISDBHSA-N 1 3 366.462 -0.006 20 0 FBADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000269913605 483490452 /nfs/dbraw/zinc/49/04/52/483490452.db2.gz OHIMZZMVXHQZDU-SFHVURJKSA-N 1 3 366.462 -0.006 20 0 FBADHO CN(C)C/C=C/C(=O)NCCOCCOCCNC(=O)/C=C/C[NH+](C)C ZINC000270279349 483502822 /nfs/dbraw/zinc/50/28/22/483502822.db2.gz XQYCVLHFYLSDPN-KQQUZDAGSA-N 1 3 370.494 -0.512 20 0 FBADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000274491362 483648928 /nfs/dbraw/zinc/64/89/28/483648928.db2.gz STDPPBIXXGTCCM-UHFFFAOYSA-N 1 3 366.462 -0.004 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCn2ccnc2C)CC1 ZINC000284284087 244359175 /nfs/dbraw/zinc/35/91/75/244359175.db2.gz MEMDQNVQQVRGJN-HNNXBMFYSA-N 1 3 364.494 -0.302 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCn2ccnc2C)CC1 ZINC000284284088 535710545 /nfs/dbraw/zinc/71/05/45/535710545.db2.gz MEMDQNVQQVRGJN-OAHLLOKOSA-N 1 3 364.494 -0.302 20 0 FBADHO CN(CCNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1CC1 ZINC000284433224 483695240 /nfs/dbraw/zinc/69/52/40/483695240.db2.gz DIMPTBAOBQDXTR-UHFFFAOYSA-N 1 3 363.462 -0.151 20 0 FBADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC000285571854 483720166 /nfs/dbraw/zinc/72/01/66/483720166.db2.gz SLOIMFWGSVYXMM-PBWFPOADSA-N 1 3 360.462 -0.009 20 0 FBADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC000285571854 483720163 /nfs/dbraw/zinc/72/01/63/483720163.db2.gz SLOIMFWGSVYXMM-PBWFPOADSA-N 1 3 360.462 -0.009 20 0 FBADHO Cc1nccn1CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000286024401 483728782 /nfs/dbraw/zinc/72/87/82/483728782.db2.gz VOWKPYDBGAOVAS-UHFFFAOYSA-N 1 3 364.494 -0.208 20 0 FBADHO Cc1nccn1CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000286024401 483728779 /nfs/dbraw/zinc/72/87/79/483728779.db2.gz VOWKPYDBGAOVAS-UHFFFAOYSA-N 1 3 364.494 -0.208 20 0 FBADHO Cc1nccn1CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000286024401 483728777 /nfs/dbraw/zinc/72/87/77/483728777.db2.gz VOWKPYDBGAOVAS-UHFFFAOYSA-N 1 3 364.494 -0.208 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000288112801 483765646 /nfs/dbraw/zinc/76/56/46/483765646.db2.gz KVODFRKMTNIXAF-KRWDZBQOSA-N 1 3 362.474 -0.111 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000288112801 483765644 /nfs/dbraw/zinc/76/56/44/483765644.db2.gz KVODFRKMTNIXAF-KRWDZBQOSA-N 1 3 362.474 -0.111 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000288112803 483765546 /nfs/dbraw/zinc/76/55/46/483765546.db2.gz KVODFRKMTNIXAF-QGZVFWFLSA-N 1 3 362.474 -0.111 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000288112803 483765545 /nfs/dbraw/zinc/76/55/45/483765545.db2.gz KVODFRKMTNIXAF-QGZVFWFLSA-N 1 3 362.474 -0.111 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000288630834 483774685 /nfs/dbraw/zinc/77/46/85/483774685.db2.gz NWWTYQXYNDMPML-UHFFFAOYSA-N 1 3 351.451 -0.342 20 0 FBADHO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@]3(CCN(C)C3)C1)c(=O)n2C ZINC000292149965 483809145 /nfs/dbraw/zinc/80/91/45/483809145.db2.gz NJTIYHCGZDORJB-GOSISDBHSA-N 1 3 360.462 -0.149 20 0 FBADHO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@]3(CCN(C)C3)C1)c(=O)n2C ZINC000292149965 483809144 /nfs/dbraw/zinc/80/91/44/483809144.db2.gz NJTIYHCGZDORJB-GOSISDBHSA-N 1 3 360.462 -0.149 20 0 FBADHO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@]3(CCN(C)C3)C1)c(=O)n2C ZINC000292149972 483809320 /nfs/dbraw/zinc/80/93/20/483809320.db2.gz NJTIYHCGZDORJB-SFHVURJKSA-N 1 3 360.462 -0.149 20 0 FBADHO Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@]3(CCN(C)C3)C1)c(=O)n2C ZINC000292149972 483809317 /nfs/dbraw/zinc/80/93/17/483809317.db2.gz NJTIYHCGZDORJB-SFHVURJKSA-N 1 3 360.462 -0.149 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000299726097 483867889 /nfs/dbraw/zinc/86/78/89/483867889.db2.gz QXIPPWVRIYLBAA-HNNXBMFYSA-N 1 3 365.478 -0.579 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000299726097 483867885 /nfs/dbraw/zinc/86/78/85/483867885.db2.gz QXIPPWVRIYLBAA-HNNXBMFYSA-N 1 3 365.478 -0.579 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000299726098 483867621 /nfs/dbraw/zinc/86/76/21/483867621.db2.gz QXIPPWVRIYLBAA-OAHLLOKOSA-N 1 3 365.478 -0.579 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000299726098 483867619 /nfs/dbraw/zinc/86/76/19/483867619.db2.gz QXIPPWVRIYLBAA-OAHLLOKOSA-N 1 3 365.478 -0.579 20 0 FBADHO O=C(CC(O)CC(=O)N1CC[NH+]2CCC1CC2)N1CCN2CCC1CC2 ZINC000328776659 483901834 /nfs/dbraw/zinc/90/18/34/483901834.db2.gz LFHDFZDCJAVPMH-UHFFFAOYSA-N 1 3 364.490 -0.259 20 0 FBADHO CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)[C@H]2C1 ZINC000329546736 484258078 /nfs/dbraw/zinc/25/80/78/484258078.db2.gz OLDLYRIQDDSIGO-HRCADAONSA-N 1 3 352.479 -0.282 20 0 FBADHO CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)[C@H]2C1 ZINC000329546737 484257648 /nfs/dbraw/zinc/25/76/48/484257648.db2.gz OLDLYRIQDDSIGO-OWCLPIDISA-N 1 3 352.479 -0.282 20 0 FBADHO CC[NH+]1CCC(NC(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330966367 483961277 /nfs/dbraw/zinc/96/12/77/483961277.db2.gz QHYHVSULXADBAG-UHFFFAOYSA-N 1 3 360.524 -0.057 20 0 FBADHO CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000331225093 484084535 /nfs/dbraw/zinc/08/45/35/484084535.db2.gz ZRHWMQKNZWGMHL-UHFFFAOYSA-N 1 3 350.467 0.545 20 0 FBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000331377201 484322745 /nfs/dbraw/zinc/32/27/45/484322745.db2.gz CQGTVKNPOWTFJY-BZUAXINKSA-N 1 3 352.479 -0.357 20 0 FBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000331377218 484323859 /nfs/dbraw/zinc/32/38/59/484323859.db2.gz CQGTVKNPOWTFJY-OAGGEKHMSA-N 1 3 352.479 -0.357 20 0 FBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000331377220 484323570 /nfs/dbraw/zinc/32/35/70/484323570.db2.gz CQGTVKNPOWTFJY-OWCLPIDISA-N 1 3 352.479 -0.357 20 0 FBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000331377222 484323991 /nfs/dbraw/zinc/32/39/91/484323991.db2.gz CQGTVKNPOWTFJY-PMPSAXMXSA-N 1 3 352.479 -0.357 20 0 FBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331387886 484324794 /nfs/dbraw/zinc/32/47/94/484324794.db2.gz ILTQKDSNGFOGHW-CVEARBPZSA-N 1 3 351.495 -0.566 20 0 FBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331387887 484323913 /nfs/dbraw/zinc/32/39/13/484323913.db2.gz ILTQKDSNGFOGHW-HOTGVXAUSA-N 1 3 351.495 -0.566 20 0 FBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331387889 484323445 /nfs/dbraw/zinc/32/34/45/484323445.db2.gz ILTQKDSNGFOGHW-HZPDHXFCSA-N 1 3 351.495 -0.566 20 0 FBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331387891 484324343 /nfs/dbraw/zinc/32/43/43/484324343.db2.gz ILTQKDSNGFOGHW-JKSUJKDBSA-N 1 3 351.495 -0.566 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1(C)C ZINC000331434292 484327265 /nfs/dbraw/zinc/32/72/65/484327265.db2.gz QTKRDVCTLYQMFI-ARFHVFGLSA-N 1 3 365.522 -0.286 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1(C)C ZINC000331434293 484327229 /nfs/dbraw/zinc/32/72/29/484327229.db2.gz QTKRDVCTLYQMFI-HRCADAONSA-N 1 3 365.522 -0.286 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1(C)C ZINC000331434294 484327405 /nfs/dbraw/zinc/32/74/05/484327405.db2.gz QTKRDVCTLYQMFI-JYJNAYRXSA-N 1 3 365.522 -0.286 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1(C)C ZINC000331434296 484327213 /nfs/dbraw/zinc/32/72/13/484327213.db2.gz QTKRDVCTLYQMFI-XHSDSOJGSA-N 1 3 365.522 -0.286 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1N(C)C ZINC000331453260 244850393 /nfs/dbraw/zinc/85/03/93/244850393.db2.gz XYEWPZOQMDITEM-DZUCGIPZSA-N 1 3 366.506 -0.111 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1N(C)C ZINC000331453286 484330672 /nfs/dbraw/zinc/33/06/72/484330672.db2.gz XYEWPZOQMDITEM-MWQQHZPXSA-N 1 3 366.506 -0.111 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1N(C)C ZINC000331453290 484331299 /nfs/dbraw/zinc/33/12/99/484331299.db2.gz XYEWPZOQMDITEM-MXASKKJJSA-N 1 3 366.506 -0.111 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1N(C)C ZINC000331453295 484331241 /nfs/dbraw/zinc/33/12/41/484331241.db2.gz XYEWPZOQMDITEM-SIXLDLHFSA-N 1 3 366.506 -0.111 20 0 FBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331596627 244864890 /nfs/dbraw/zinc/86/48/90/244864890.db2.gz HRKBZAOGJGOVTI-HNNXBMFYSA-N 1 3 365.478 -0.907 20 0 FBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331596629 484343618 /nfs/dbraw/zinc/34/36/18/484343618.db2.gz HRKBZAOGJGOVTI-OAHLLOKOSA-N 1 3 365.478 -0.907 20 0 FBADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)n1 ZINC000331713148 484100239 /nfs/dbraw/zinc/10/02/39/484100239.db2.gz DIYQJKYOLSRGBH-HNNXBMFYSA-N 1 3 362.478 0.470 20 0 FBADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000331713150 484099427 /nfs/dbraw/zinc/09/94/27/484099427.db2.gz DIYQJKYOLSRGBH-OAHLLOKOSA-N 1 3 362.478 0.470 20 0 FBADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000331844589 484362602 /nfs/dbraw/zinc/36/26/02/484362602.db2.gz BLMVBZYBXZBJTD-FMKPAKJESA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000331844590 484361626 /nfs/dbraw/zinc/36/16/26/484361626.db2.gz BLMVBZYBXZBJTD-IIAWOOMASA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000331844591 484362593 /nfs/dbraw/zinc/36/25/93/484362593.db2.gz BLMVBZYBXZBJTD-IJEWVQPXSA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000331844592 484361884 /nfs/dbraw/zinc/36/18/84/484361884.db2.gz BLMVBZYBXZBJTD-LZWOXQAQSA-N 1 3 352.479 -0.188 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000331847339 484362641 /nfs/dbraw/zinc/36/26/41/484362641.db2.gz FZKRNGKRXHQGIU-QLFBSQMISA-N 1 3 365.478 -0.863 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000331847342 484362705 /nfs/dbraw/zinc/36/27/05/484362705.db2.gz FZKRNGKRXHQGIU-RBSFLKMASA-N 1 3 365.478 -0.863 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000331847343 484362477 /nfs/dbraw/zinc/36/24/77/484362477.db2.gz FZKRNGKRXHQGIU-RRFJBIMHSA-N 1 3 365.478 -0.863 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000331847344 484362096 /nfs/dbraw/zinc/36/20/96/484362096.db2.gz FZKRNGKRXHQGIU-SOUVJXGZSA-N 1 3 365.478 -0.863 20 0 FBADHO CN(C)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000331872505 484364054 /nfs/dbraw/zinc/36/40/54/484364054.db2.gz NHCXQFIXUVGWEN-KRWDZBQOSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000331872507 484364434 /nfs/dbraw/zinc/36/44/34/484364434.db2.gz NHCXQFIXUVGWEN-QGZVFWFLSA-N 1 3 365.522 -0.176 20 0 FBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331917207 484366659 /nfs/dbraw/zinc/36/66/59/484366659.db2.gz SRUXJQREWCGSSU-KKUMJFAQSA-N 1 3 365.478 -0.992 20 0 FBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331917208 484367115 /nfs/dbraw/zinc/36/71/15/484367115.db2.gz SRUXJQREWCGSSU-RRFJBIMHSA-N 1 3 365.478 -0.992 20 0 FBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331917209 484366784 /nfs/dbraw/zinc/36/67/84/484366784.db2.gz SRUXJQREWCGSSU-SOUVJXGZSA-N 1 3 365.478 -0.992 20 0 FBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331917210 484366751 /nfs/dbraw/zinc/36/67/51/484366751.db2.gz SRUXJQREWCGSSU-ZNMIVQPWSA-N 1 3 365.478 -0.992 20 0 FBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@H]3CN)CC2)CC1 ZINC000332105280 484380452 /nfs/dbraw/zinc/38/04/52/484380452.db2.gz DLTZVIMWDQPSEV-KRWDZBQOSA-N 1 3 365.522 -0.047 20 0 FBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCC[C@@H]3CN)CC2)CC1 ZINC000332105283 535154338 /nfs/dbraw/zinc/15/43/38/535154338.db2.gz DLTZVIMWDQPSEV-QGZVFWFLSA-N 1 3 365.522 -0.047 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000332263262 484393049 /nfs/dbraw/zinc/39/30/49/484393049.db2.gz COOJKBJEHPLECZ-CVEARBPZSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000332263263 484392053 /nfs/dbraw/zinc/39/20/53/484392053.db2.gz COOJKBJEHPLECZ-HOTGVXAUSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000332263264 484392040 /nfs/dbraw/zinc/39/20/40/484392040.db2.gz COOJKBJEHPLECZ-HZPDHXFCSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000332263265 484392107 /nfs/dbraw/zinc/39/21/07/484392107.db2.gz COOJKBJEHPLECZ-JKSUJKDBSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000332273282 484394038 /nfs/dbraw/zinc/39/40/38/484394038.db2.gz FRBVULNOSUVCES-CVEARBPZSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000332273283 484394072 /nfs/dbraw/zinc/39/40/72/484394072.db2.gz FRBVULNOSUVCES-HOTGVXAUSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000332273284 484394318 /nfs/dbraw/zinc/39/43/18/484394318.db2.gz FRBVULNOSUVCES-HZPDHXFCSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000332273285 484393538 /nfs/dbraw/zinc/39/35/38/484393538.db2.gz FRBVULNOSUVCES-JKSUJKDBSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000332320115 484398115 /nfs/dbraw/zinc/39/81/15/484398115.db2.gz VREPZNJMPCQYIS-FMKPAKJESA-N 1 3 352.479 -0.106 20 0 FBADHO C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000332320117 484398052 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ZINC000363147680 245093021 /nfs/dbraw/zinc/09/30/21/245093021.db2.gz YHTYVDQNXJXBJA-MRXNPFEDSA-N 1 3 351.495 -0.611 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000363147680 245093016 /nfs/dbraw/zinc/09/30/16/245093016.db2.gz YHTYVDQNXJXBJA-MRXNPFEDSA-N 1 3 351.495 -0.611 20 0 FBADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000363301802 535735426 /nfs/dbraw/zinc/73/54/26/535735426.db2.gz CALFJXXPXIKOMX-DLBZAZTESA-N 1 3 365.522 -0.365 20 0 FBADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000363301803 535732067 /nfs/dbraw/zinc/73/20/67/535732067.db2.gz CALFJXXPXIKOMX-IAGOWNOFSA-N 1 3 365.522 -0.365 20 0 FBADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000363301804 245106569 /nfs/dbraw/zinc/10/65/69/245106569.db2.gz CALFJXXPXIKOMX-IRXDYDNUSA-N 1 3 365.522 -0.365 20 0 FBADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC000363301805 245105548 /nfs/dbraw/zinc/10/55/48/245105548.db2.gz CALFJXXPXIKOMX-SJORKVTESA-N 1 3 365.522 -0.365 20 0 FBADHO COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000363553189 245122245 /nfs/dbraw/zinc/12/22/45/245122245.db2.gz MXMBBAOLFKWMOC-DLBZAZTESA-N 1 3 369.510 -0.587 20 0 FBADHO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000363553189 245122237 /nfs/dbraw/zinc/12/22/37/245122237.db2.gz MXMBBAOLFKWMOC-DLBZAZTESA-N 1 3 369.510 -0.587 20 0 FBADHO COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000363553190 245121930 /nfs/dbraw/zinc/12/19/30/245121930.db2.gz MXMBBAOLFKWMOC-IAGOWNOFSA-N 1 3 369.510 -0.587 20 0 FBADHO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000363553190 245121926 /nfs/dbraw/zinc/12/19/26/245121926.db2.gz MXMBBAOLFKWMOC-IAGOWNOFSA-N 1 3 369.510 -0.587 20 0 FBADHO COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000363553191 245121394 /nfs/dbraw/zinc/12/13/94/245121394.db2.gz MXMBBAOLFKWMOC-IRXDYDNUSA-N 1 3 369.510 -0.587 20 0 FBADHO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000363553191 245121390 /nfs/dbraw/zinc/12/13/90/245121390.db2.gz MXMBBAOLFKWMOC-IRXDYDNUSA-N 1 3 369.510 -0.587 20 0 FBADHO COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000363553192 245121013 /nfs/dbraw/zinc/12/10/13/245121013.db2.gz MXMBBAOLFKWMOC-SJORKVTESA-N 1 3 369.510 -0.587 20 0 FBADHO COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000363553192 245121006 /nfs/dbraw/zinc/12/10/06/245121006.db2.gz MXMBBAOLFKWMOC-SJORKVTESA-N 1 3 369.510 -0.587 20 0 FBADHO Cn1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c(=O)n(C)c1=O ZINC000363866189 245141757 /nfs/dbraw/zinc/14/17/57/245141757.db2.gz HLIYDBVOJMDKRX-UHFFFAOYSA-N 1 3 363.506 -0.067 20 0 FBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)c2n[nH]c3c2CNCC3)c1 ZINC000364212124 483522778 /nfs/dbraw/zinc/52/27/78/483522778.db2.gz PPHGUXHCAWTJKY-UHFFFAOYSA-N 1 3 364.431 -0.455 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)n1 ZINC000364781890 484097194 /nfs/dbraw/zinc/09/71/94/484097194.db2.gz WQXNPHJHGTVWTF-UHFFFAOYSA-N 1 3 362.478 0.470 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)CN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000365083925 245210528 /nfs/dbraw/zinc/21/05/28/245210528.db2.gz YJFJMBQVMNJGNF-UHFFFAOYSA-N 1 3 365.478 -0.008 20 0 FBADHO C[C@@H]1CN(CCCCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119850 245263104 /nfs/dbraw/zinc/26/31/04/245263104.db2.gz PUZQYXGDYOBXJP-FPCVCCKLSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119850 245263101 /nfs/dbraw/zinc/26/31/01/245263101.db2.gz PUZQYXGDYOBXJP-FPCVCCKLSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366119850 245263096 /nfs/dbraw/zinc/26/30/96/245263096.db2.gz PUZQYXGDYOBXJP-FPCVCCKLSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366119850 245263093 /nfs/dbraw/zinc/26/30/93/245263093.db2.gz PUZQYXGDYOBXJP-FPCVCCKLSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCCN2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366119850 245263091 /nfs/dbraw/zinc/26/30/91/245263091.db2.gz PUZQYXGDYOBXJP-FPCVCCKLSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366119851 245262832 /nfs/dbraw/zinc/26/28/32/245262832.db2.gz PUZQYXGDYOBXJP-KLHDSHLOSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366119851 245262825 /nfs/dbraw/zinc/26/28/25/245262825.db2.gz PUZQYXGDYOBXJP-KLHDSHLOSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCCN2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000366119851 245262821 /nfs/dbraw/zinc/26/28/21/245262821.db2.gz PUZQYXGDYOBXJP-KLHDSHLOSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119852 245263493 /nfs/dbraw/zinc/26/34/93/245263493.db2.gz PUZQYXGDYOBXJP-WCVJEAGWSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119852 245263490 /nfs/dbraw/zinc/26/34/90/245263490.db2.gz PUZQYXGDYOBXJP-WCVJEAGWSA-N 1 3 370.494 -0.304 20 0 FBADHO C[C@@H]1CN(CCCCCCN2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000366119852 245263487 /nfs/dbraw/zinc/26/34/87/245263487.db2.gz PUZQYXGDYOBXJP-WCVJEAGWSA-N 1 3 370.494 -0.304 20 0 FBADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)n1 ZINC000366472858 484097806 /nfs/dbraw/zinc/09/78/06/484097806.db2.gz XRBQMMBICQLJRZ-HNNXBMFYSA-N 1 3 362.478 0.470 20 0 FBADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)n1 ZINC000366472861 484097576 /nfs/dbraw/zinc/09/75/76/484097576.db2.gz XRBQMMBICQLJRZ-OAHLLOKOSA-N 1 3 362.478 0.470 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000366582132 484099681 /nfs/dbraw/zinc/09/96/81/484099681.db2.gz IGOJUFQUIUKJTB-ARFHVFGLSA-N 1 3 374.489 0.326 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000366582132 484099676 /nfs/dbraw/zinc/09/96/76/484099676.db2.gz IGOJUFQUIUKJTB-ARFHVFGLSA-N 1 3 374.489 0.326 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000366582133 484099561 /nfs/dbraw/zinc/09/95/61/484099561.db2.gz IGOJUFQUIUKJTB-HRCADAONSA-N 1 3 374.489 0.326 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000366582133 484099553 /nfs/dbraw/zinc/09/95/53/484099553.db2.gz IGOJUFQUIUKJTB-HRCADAONSA-N 1 3 374.489 0.326 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000366582134 484099073 /nfs/dbraw/zinc/09/90/73/484099073.db2.gz IGOJUFQUIUKJTB-JYJNAYRXSA-N 1 3 374.489 0.326 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000366582134 484099062 /nfs/dbraw/zinc/09/90/62/484099062.db2.gz IGOJUFQUIUKJTB-JYJNAYRXSA-N 1 3 374.489 0.326 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000366582135 484099713 /nfs/dbraw/zinc/09/97/13/484099713.db2.gz IGOJUFQUIUKJTB-XHSDSOJGSA-N 1 3 374.489 0.326 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000366582135 484099711 /nfs/dbraw/zinc/09/97/11/484099711.db2.gz IGOJUFQUIUKJTB-XHSDSOJGSA-N 1 3 374.489 0.326 20 0 FBADHO CN1CCN(C(=O)CCN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000367297659 536401889 /nfs/dbraw/zinc/40/18/89/536401889.db2.gz DPLVKFUVVNAWMQ-INIZCTEOSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCN(C(=O)CCN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000367297659 536401886 /nfs/dbraw/zinc/40/18/86/536401886.db2.gz DPLVKFUVVNAWMQ-INIZCTEOSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCN(C(=O)CCN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000367297660 536401809 /nfs/dbraw/zinc/40/18/09/536401809.db2.gz DPLVKFUVVNAWMQ-MRXNPFEDSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCN(C(=O)CCN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000367297660 536401807 /nfs/dbraw/zinc/40/18/07/536401807.db2.gz DPLVKFUVVNAWMQ-MRXNPFEDSA-N 1 3 351.495 -0.435 20 0 FBADHO COCC[N@@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000367813110 245350697 /nfs/dbraw/zinc/35/06/97/245350697.db2.gz LTSYVPVFYUOPJQ-MQVJKMGUSA-N 1 3 369.510 -0.053 20 0 FBADHO COCC[N@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000367813110 245350691 /nfs/dbraw/zinc/35/06/91/245350691.db2.gz LTSYVPVFYUOPJQ-MQVJKMGUSA-N 1 3 369.510 -0.053 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000367834247 245350950 /nfs/dbraw/zinc/35/09/50/245350950.db2.gz FJOAHTQMNHSEJW-AWEZNQCLSA-N 1 3 365.482 -0.973 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000367834256 245350405 /nfs/dbraw/zinc/35/04/05/245350405.db2.gz FJOAHTQMNHSEJW-CQSZACIVSA-N 1 3 365.482 -0.973 20 0 FBADHO CN1C(=O)C(=O)N(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC000369311670 483950868 /nfs/dbraw/zinc/95/08/68/483950868.db2.gz YEAHWVPZPDYVOT-UHFFFAOYSA-N 1 3 365.434 -0.918 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000369367345 484097332 /nfs/dbraw/zinc/09/73/32/484097332.db2.gz YOXOJSVZXAESQL-AWEZNQCLSA-N 1 3 350.467 0.326 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000369367346 484097585 /nfs/dbraw/zinc/09/75/85/484097585.db2.gz YOXOJSVZXAESQL-CQSZACIVSA-N 1 3 350.467 0.326 20 0 FBADHO COCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000369393143 483954772 /nfs/dbraw/zinc/95/47/72/483954772.db2.gz CHXZPTCWZFCWRK-INIZCTEOSA-N 1 3 357.499 -0.730 20 0 FBADHO COCC[N@H+](C)CCNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000369393143 483954762 /nfs/dbraw/zinc/95/47/62/483954762.db2.gz CHXZPTCWZFCWRK-INIZCTEOSA-N 1 3 357.499 -0.730 20 0 FBADHO COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000369393146 483955831 /nfs/dbraw/zinc/95/58/31/483955831.db2.gz CHXZPTCWZFCWRK-MRXNPFEDSA-N 1 3 357.499 -0.730 20 0 FBADHO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000369393146 483955826 /nfs/dbraw/zinc/95/58/26/483955826.db2.gz CHXZPTCWZFCWRK-MRXNPFEDSA-N 1 3 357.499 -0.730 20 0 FBADHO COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000370729616 484045147 /nfs/dbraw/zinc/04/51/47/484045147.db2.gz UGDCOCRYXGLDQA-HNNXBMFYSA-N 1 3 355.483 -0.487 20 0 FBADHO COCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000370729616 484045139 /nfs/dbraw/zinc/04/51/39/484045139.db2.gz UGDCOCRYXGLDQA-HNNXBMFYSA-N 1 3 355.483 -0.487 20 0 FBADHO COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000370729622 484044392 /nfs/dbraw/zinc/04/43/92/484044392.db2.gz UGDCOCRYXGLDQA-OAHLLOKOSA-N 1 3 355.483 -0.487 20 0 FBADHO COCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000370729622 484044389 /nfs/dbraw/zinc/04/43/89/484044389.db2.gz UGDCOCRYXGLDQA-OAHLLOKOSA-N 1 3 355.483 -0.487 20 0 FBADHO CCCN1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000371551205 484302227 /nfs/dbraw/zinc/30/22/27/484302227.db2.gz FGHNPLOYDIUEKZ-UHFFFAOYSA-N 1 3 350.467 0.328 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000372021345 484119374 /nfs/dbraw/zinc/11/93/74/484119374.db2.gz IRLZGIRGKAWGKR-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000372021345 484119368 /nfs/dbraw/zinc/11/93/68/484119368.db2.gz IRLZGIRGKAWGKR-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000372021347 484119321 /nfs/dbraw/zinc/11/93/21/484119321.db2.gz IRLZGIRGKAWGKR-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000372021347 484119318 /nfs/dbraw/zinc/11/93/18/484119318.db2.gz IRLZGIRGKAWGKR-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO COCCN1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000372021351 484119099 /nfs/dbraw/zinc/11/90/99/484119099.db2.gz ISEOKFUIDILFFL-CVEARBPZSA-N 1 3 367.494 -0.345 20 0 FBADHO COCCN1CC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000372021351 484119097 /nfs/dbraw/zinc/11/90/97/484119097.db2.gz ISEOKFUIDILFFL-CVEARBPZSA-N 1 3 367.494 -0.345 20 0 FBADHO COCCN1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000372021353 484118587 /nfs/dbraw/zinc/11/85/87/484118587.db2.gz ISEOKFUIDILFFL-HOTGVXAUSA-N 1 3 367.494 -0.345 20 0 FBADHO COCCN1CC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000372021353 484118583 /nfs/dbraw/zinc/11/85/83/484118583.db2.gz ISEOKFUIDILFFL-HOTGVXAUSA-N 1 3 367.494 -0.345 20 0 FBADHO COCCN1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000372021354 484118397 /nfs/dbraw/zinc/11/83/97/484118397.db2.gz ISEOKFUIDILFFL-HZPDHXFCSA-N 1 3 367.494 -0.345 20 0 FBADHO COCCN1CC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000372021354 484118394 /nfs/dbraw/zinc/11/83/94/484118394.db2.gz ISEOKFUIDILFFL-HZPDHXFCSA-N 1 3 367.494 -0.345 20 0 FBADHO COCCN1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000372021357 484118621 /nfs/dbraw/zinc/11/86/21/484118621.db2.gz ISEOKFUIDILFFL-JKSUJKDBSA-N 1 3 367.494 -0.345 20 0 FBADHO COCCN1CC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000372021357 484118614 /nfs/dbraw/zinc/11/86/14/484118614.db2.gz ISEOKFUIDILFFL-JKSUJKDBSA-N 1 3 367.494 -0.345 20 0 FBADHO CC(C)CN1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000372641396 484180506 /nfs/dbraw/zinc/18/05/06/484180506.db2.gz RFWYRJPZKSVFLD-UHFFFAOYSA-N 1 3 364.494 0.574 20 0 FBADHO O=C(COCC(=O)N1CC[NH+]2CCC1CC2)N1CCN2CCC1CC2 ZINC000372726078 484169143 /nfs/dbraw/zinc/16/91/43/484169143.db2.gz GXOPYGFDUPQTQZ-UHFFFAOYSA-N 1 3 350.463 -0.384 20 0 FBADHO CN(CC(=O)N1CCC[C@H](C(N)=O)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373219401 484196863 /nfs/dbraw/zinc/19/68/63/484196863.db2.gz UHWNZDMFLCGCTF-DOTOQJQBSA-N 1 3 365.522 -0.189 20 0 FBADHO CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373219402 484196769 /nfs/dbraw/zinc/19/67/69/484196769.db2.gz UHWNZDMFLCGCTF-NVXWUHKLSA-N 1 3 365.522 -0.189 20 0 FBADHO CN(CC(=O)N1CCC[C@H](C(N)=O)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373219403 484195997 /nfs/dbraw/zinc/19/59/97/484195997.db2.gz UHWNZDMFLCGCTF-RDJZCZTQSA-N 1 3 365.522 -0.189 20 0 FBADHO CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373219404 484197263 /nfs/dbraw/zinc/19/72/63/484197263.db2.gz UHWNZDMFLCGCTF-WBVHZDCISA-N 1 3 365.522 -0.189 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373265171 484333617 /nfs/dbraw/zinc/33/36/17/484333617.db2.gz UALRCHWKBZHCDM-UHFFFAOYSA-N 1 3 350.467 0.546 20 0 FBADHO COC[C@@H](C)NC(=O)NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374999395 484286596 /nfs/dbraw/zinc/28/65/96/484286596.db2.gz QGEWFBSOXPXYHP-GDBMZVCRSA-N 1 3 369.510 -0.053 20 0 FBADHO COC[C@H](C)NC(=O)NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374999396 484286130 /nfs/dbraw/zinc/28/61/30/484286130.db2.gz QGEWFBSOXPXYHP-GOEBONIOSA-N 1 3 369.510 -0.053 20 0 FBADHO COC[C@H](C)NC(=O)NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374999397 484285873 /nfs/dbraw/zinc/28/58/73/484285873.db2.gz QGEWFBSOXPXYHP-HOCLYGCPSA-N 1 3 369.510 -0.053 20 0 FBADHO COC[C@@H](C)NC(=O)NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374999398 484286092 /nfs/dbraw/zinc/28/60/92/484286092.db2.gz QGEWFBSOXPXYHP-ZBFHGGJFSA-N 1 3 369.510 -0.053 20 0 FBADHO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000376488421 484360020 /nfs/dbraw/zinc/36/00/20/484360020.db2.gz PKWHTSDXTASPGU-GOSISDBHSA-N 1 3 368.522 -0.038 20 0 FBADHO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000376488422 484360078 /nfs/dbraw/zinc/36/00/78/484360078.db2.gz PKWHTSDXTASPGU-SFHVURJKSA-N 1 3 368.522 -0.038 20 0 FBADHO C[C@@H](O)CN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000376704837 484369071 /nfs/dbraw/zinc/36/90/71/484369071.db2.gz CCULFSIPVMXSLD-CVEARBPZSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@@H](O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000376704837 484369064 /nfs/dbraw/zinc/36/90/64/484369064.db2.gz CCULFSIPVMXSLD-CVEARBPZSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@@H](O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000376704837 484369057 /nfs/dbraw/zinc/36/90/57/484369057.db2.gz CCULFSIPVMXSLD-CVEARBPZSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000376704847 484369160 /nfs/dbraw/zinc/36/91/60/484369160.db2.gz CCULFSIPVMXSLD-HOTGVXAUSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000376704847 484369151 /nfs/dbraw/zinc/36/91/51/484369151.db2.gz CCULFSIPVMXSLD-HOTGVXAUSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000376704847 484369143 /nfs/dbraw/zinc/36/91/43/484369143.db2.gz CCULFSIPVMXSLD-HOTGVXAUSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000376704848 484369712 /nfs/dbraw/zinc/36/97/12/484369712.db2.gz CCULFSIPVMXSLD-HZPDHXFCSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000376704848 484369706 /nfs/dbraw/zinc/36/97/06/484369706.db2.gz CCULFSIPVMXSLD-HZPDHXFCSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000376704848 484369700 /nfs/dbraw/zinc/36/97/00/484369700.db2.gz CCULFSIPVMXSLD-HZPDHXFCSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000376704849 484369122 /nfs/dbraw/zinc/36/91/22/484369122.db2.gz CCULFSIPVMXSLD-JKSUJKDBSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000376704849 484369115 /nfs/dbraw/zinc/36/91/15/484369115.db2.gz CCULFSIPVMXSLD-JKSUJKDBSA-N 1 3 353.511 -0.137 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000376704849 484369108 /nfs/dbraw/zinc/36/91/08/484369108.db2.gz CCULFSIPVMXSLD-JKSUJKDBSA-N 1 3 353.511 -0.137 20 0 FBADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000376784836 484374554 /nfs/dbraw/zinc/37/45/54/484374554.db2.gz PXVVTGLLYVKLQT-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000376784836 484374547 /nfs/dbraw/zinc/37/45/47/484374547.db2.gz PXVVTGLLYVKLQT-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000376784837 484375026 /nfs/dbraw/zinc/37/50/26/484375026.db2.gz PXVVTGLLYVKLQT-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000376784837 484375022 /nfs/dbraw/zinc/37/50/22/484375022.db2.gz PXVVTGLLYVKLQT-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO COCC[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]C1 ZINC000376792618 484374791 /nfs/dbraw/zinc/37/47/91/484374791.db2.gz XPZJIEHXQAIGRI-GOSISDBHSA-N 1 3 352.479 -0.231 20 0 FBADHO COCC[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]C1 ZINC000376792622 484374934 /nfs/dbraw/zinc/37/49/34/484374934.db2.gz XPZJIEHXQAIGRI-SFHVURJKSA-N 1 3 352.479 -0.231 20 0 FBADHO CC(=O)N1CCN(C(=O)CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000376799324 484374341 /nfs/dbraw/zinc/37/43/41/484374341.db2.gz PABNSIUPOCABNV-GOSISDBHSA-N 1 3 365.522 -0.223 20 0 FBADHO CC(=O)N1CCN(C(=O)CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000376799325 484374015 /nfs/dbraw/zinc/37/40/15/484374015.db2.gz PABNSIUPOCABNV-SFHVURJKSA-N 1 3 365.522 -0.223 20 0 FBADHO CC[N@@H+](CCO)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000377231173 484397663 /nfs/dbraw/zinc/39/76/63/484397663.db2.gz AQVQFSJGMMVJSO-MQVJKMGUSA-N 1 3 369.510 -0.317 20 0 FBADHO CC[N@H+](CCO)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000377231173 484397658 /nfs/dbraw/zinc/39/76/58/484397658.db2.gz AQVQFSJGMMVJSO-MQVJKMGUSA-N 1 3 369.510 -0.317 20 0 FBADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377322840 484090373 /nfs/dbraw/zinc/09/03/73/484090373.db2.gz RDPALHDMZJWHNM-CABCVRRESA-N 1 3 362.478 0.468 20 0 FBADHO C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377322842 484170947 /nfs/dbraw/zinc/17/09/47/484170947.db2.gz RDPALHDMZJWHNM-GJZGRUSLSA-N 1 3 362.478 0.468 20 0 FBADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377322844 484082269 /nfs/dbraw/zinc/08/22/69/484082269.db2.gz RDPALHDMZJWHNM-HUUCEWRRSA-N 1 3 362.478 0.468 20 0 FBADHO C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000377322845 484167829 /nfs/dbraw/zinc/16/78/29/484167829.db2.gz RDPALHDMZJWHNM-LSDHHAIUSA-N 1 3 362.478 0.468 20 0 FBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000377330434 484400007 /nfs/dbraw/zinc/40/00/07/484400007.db2.gz MNKKAIPEHANONM-RBSFLKMASA-N 1 3 351.455 -0.037 20 0 FBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000377330435 484399718 /nfs/dbraw/zinc/39/97/18/484399718.db2.gz MNKKAIPEHANONM-RRFJBIMHSA-N 1 3 351.455 -0.037 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000377967604 484433066 /nfs/dbraw/zinc/43/30/66/484433066.db2.gz YSRDKBFLZNMXJN-DLBZAZTESA-N 1 3 365.522 -0.365 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000377967604 484433061 /nfs/dbraw/zinc/43/30/61/484433061.db2.gz YSRDKBFLZNMXJN-DLBZAZTESA-N 1 3 365.522 -0.365 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC000377967609 484433222 /nfs/dbraw/zinc/43/32/22/484433222.db2.gz YSRDKBFLZNMXJN-IRXDYDNUSA-N 1 3 365.522 -0.365 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC000377967609 484433218 /nfs/dbraw/zinc/43/32/18/484433218.db2.gz YSRDKBFLZNMXJN-IRXDYDNUSA-N 1 3 365.522 -0.365 20 0 FBADHO CNC(=O)CN1CCC(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000410315901 483796018 /nfs/dbraw/zinc/79/60/18/483796018.db2.gz XOJHOHWKQXYRBH-UHFFFAOYSA-N 1 3 368.526 -0.478 20 0 FBADHO CN1CC[C@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)C[C@H]21 ZINC000410431262 483803587 /nfs/dbraw/zinc/80/35/87/483803587.db2.gz GZYGMPFYHWZAIE-ARFHVFGLSA-N 1 3 352.479 -0.282 20 0 FBADHO CN1CC[C@H]2CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)C[C@H]21 ZINC000410431265 483803707 /nfs/dbraw/zinc/80/37/07/483803707.db2.gz GZYGMPFYHWZAIE-HRCADAONSA-N 1 3 352.479 -0.282 20 0 FBADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410475881 483807094 /nfs/dbraw/zinc/80/70/94/483807094.db2.gz NTWGPLODRQQDGI-INIZCTEOSA-N 1 3 355.527 -0.119 20 0 FBADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000410475881 483807092 /nfs/dbraw/zinc/80/70/92/483807092.db2.gz NTWGPLODRQQDGI-INIZCTEOSA-N 1 3 355.527 -0.119 20 0 FBADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000410475881 483807091 /nfs/dbraw/zinc/80/70/91/483807091.db2.gz NTWGPLODRQQDGI-INIZCTEOSA-N 1 3 355.527 -0.119 20 0 FBADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410475882 483806771 /nfs/dbraw/zinc/80/67/71/483806771.db2.gz NTWGPLODRQQDGI-MRXNPFEDSA-N 1 3 355.527 -0.119 20 0 FBADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000410475882 483806769 /nfs/dbraw/zinc/80/67/69/483806769.db2.gz NTWGPLODRQQDGI-MRXNPFEDSA-N 1 3 355.527 -0.119 20 0 FBADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000410475882 483806768 /nfs/dbraw/zinc/80/67/68/483806768.db2.gz NTWGPLODRQQDGI-MRXNPFEDSA-N 1 3 355.527 -0.119 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410496610 483809813 /nfs/dbraw/zinc/80/98/13/483809813.db2.gz GIDXPULIXYJORV-CVEARBPZSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410496610 483809810 /nfs/dbraw/zinc/80/98/10/483809810.db2.gz GIDXPULIXYJORV-CVEARBPZSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410496611 483810033 /nfs/dbraw/zinc/81/00/33/483810033.db2.gz GIDXPULIXYJORV-HOTGVXAUSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410496611 483810031 /nfs/dbraw/zinc/81/00/31/483810031.db2.gz GIDXPULIXYJORV-HOTGVXAUSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000410496612 483809919 /nfs/dbraw/zinc/80/99/19/483809919.db2.gz GIDXPULIXYJORV-HZPDHXFCSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000410496612 483809916 /nfs/dbraw/zinc/80/99/16/483809916.db2.gz GIDXPULIXYJORV-HZPDHXFCSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000410496614 483809928 /nfs/dbraw/zinc/80/99/28/483809928.db2.gz GIDXPULIXYJORV-JKSUJKDBSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000410496614 483809926 /nfs/dbraw/zinc/80/99/26/483809926.db2.gz GIDXPULIXYJORV-JKSUJKDBSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410502712 483812593 /nfs/dbraw/zinc/81/25/93/483812593.db2.gz JRAMHTJJZVXYPX-INIZCTEOSA-N 1 3 354.495 -0.033 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410502713 483812598 /nfs/dbraw/zinc/81/25/98/483812598.db2.gz JRAMHTJJZVXYPX-MRXNPFEDSA-N 1 3 354.495 -0.033 20 0 FBADHO CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410503729 483812498 /nfs/dbraw/zinc/81/24/98/483812498.db2.gz OPZXBJYXGLAMLN-JKSUJKDBSA-N 1 3 354.495 -0.034 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000410505001 483812851 /nfs/dbraw/zinc/81/28/51/483812851.db2.gz STEXDFZQWACJJC-GOSISDBHSA-N 1 3 354.495 -0.033 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000410505001 483812848 /nfs/dbraw/zinc/81/28/48/483812848.db2.gz STEXDFZQWACJJC-GOSISDBHSA-N 1 3 354.495 -0.033 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410505002 483813068 /nfs/dbraw/zinc/81/30/68/483813068.db2.gz STEXDFZQWACJJC-SFHVURJKSA-N 1 3 354.495 -0.033 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410505002 483813065 /nfs/dbraw/zinc/81/30/65/483813065.db2.gz STEXDFZQWACJJC-SFHVURJKSA-N 1 3 354.495 -0.033 20 0 FBADHO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000410789471 484062520 /nfs/dbraw/zinc/06/25/20/484062520.db2.gz HUPRPYVPKYOQDS-GOEBONIOSA-N 1 3 373.457 -0.099 20 0 FBADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)CC[NH+](C)C ZINC000410992621 484135544 /nfs/dbraw/zinc/13/55/44/484135544.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000410992621 484135539 /nfs/dbraw/zinc/13/55/39/484135539.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000410992621 484135533 /nfs/dbraw/zinc/13/55/33/484135533.db2.gz XGUQDFBOXYQYPG-DLBZAZTESA-N 1 3 367.538 -0.119 20 0 FBADHO 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ZINC000410992624 484134992 /nfs/dbraw/zinc/13/49/92/484134992.db2.gz XGUQDFBOXYQYPG-IRXDYDNUSA-N 1 3 367.538 -0.119 20 0 FBADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)CC[NH+](C)C ZINC000410992627 484135202 /nfs/dbraw/zinc/13/52/02/484135202.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000410992627 484135195 /nfs/dbraw/zinc/13/51/95/484135195.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000410992627 484135191 /nfs/dbraw/zinc/13/51/91/484135191.db2.gz XGUQDFBOXYQYPG-SJORKVTESA-N 1 3 367.538 -0.119 20 0 FBADHO C[C@H](CCN1C[C@@H](C)O[C@H](C(N)=O)C1)CC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000411315372 484189873 /nfs/dbraw/zinc/18/98/73/484189873.db2.gz HYVLDQJIFOARFE-DGXTUMSLSA-N 1 3 370.494 -0.448 20 0 FBADHO C[C@H](CCN1C[C@@H](C)O[C@H](C(N)=O)C1)CC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000411315372 484189870 /nfs/dbraw/zinc/18/98/70/484189870.db2.gz HYVLDQJIFOARFE-DGXTUMSLSA-N 1 3 370.494 -0.448 20 0 FBADHO C[C@@H](CCN1C[C@@H](C)O[C@@H](C(N)=O)C1)CC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000411315372 484189867 /nfs/dbraw/zinc/18/98/67/484189867.db2.gz HYVLDQJIFOARFE-DGXTUMSLSA-N 1 3 370.494 -0.448 20 0 FBADHO C[C@@H](CCN1C[C@@H](C)O[C@@H](C(N)=O)C1)CC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000411315372 484189862 /nfs/dbraw/zinc/18/98/62/484189862.db2.gz HYVLDQJIFOARFE-DGXTUMSLSA-N 1 3 370.494 -0.448 20 0 FBADHO CC(CCN1C[C@@H](C)O[C@@H](C(N)=O)C1)CC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000411315373 484190080 /nfs/dbraw/zinc/19/00/80/484190080.db2.gz HYVLDQJIFOARFE-KLHDSHLOSA-N 1 3 370.494 -0.448 20 0 FBADHO CC(CCN1C[C@@H](C)O[C@@H](C(N)=O)C1)CC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000411315373 484190077 /nfs/dbraw/zinc/19/00/77/484190077.db2.gz HYVLDQJIFOARFE-KLHDSHLOSA-N 1 3 370.494 -0.448 20 0 FBADHO CC(CCN1C[C@@H](C)O[C@H](C(N)=O)C1)CC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000411315374 484188891 /nfs/dbraw/zinc/18/88/91/484188891.db2.gz HYVLDQJIFOARFE-WCVJEAGWSA-N 1 3 370.494 -0.448 20 0 FBADHO CC(CCN1C[C@@H](C)O[C@H](C(N)=O)C1)CC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000411315374 484188886 /nfs/dbraw/zinc/18/88/86/484188886.db2.gz HYVLDQJIFOARFE-WCVJEAGWSA-N 1 3 370.494 -0.448 20 0 FBADHO COC(=O)[C@@H]1CN(C(=O)NCCCCN2CCOCC2)CC[N@@H+](C)C1 ZINC000413110360 661633626 /nfs/dbraw/zinc/63/36/26/661633626.db2.gz OPPXSXDSBAUVLG-HNNXBMFYSA-N 1 3 356.467 -0.155 20 0 FBADHO COC(=O)[C@@H]1CN(C(=O)NCCCCN2CCOCC2)CC[N@H+](C)C1 ZINC000413110360 661633624 /nfs/dbraw/zinc/63/36/24/661633624.db2.gz OPPXSXDSBAUVLG-HNNXBMFYSA-N 1 3 356.467 -0.155 20 0 FBADHO COC(=O)[C@H]1CN(C(=O)NCCCCN2CCOCC2)CC[N@@H+](C)C1 ZINC000413110361 661633578 /nfs/dbraw/zinc/63/35/78/661633578.db2.gz OPPXSXDSBAUVLG-OAHLLOKOSA-N 1 3 356.467 -0.155 20 0 FBADHO COC(=O)[C@H]1CN(C(=O)NCCCCN2CCOCC2)CC[N@H+](C)C1 ZINC000413110361 661633573 /nfs/dbraw/zinc/63/35/73/661633573.db2.gz OPPXSXDSBAUVLG-OAHLLOKOSA-N 1 3 356.467 -0.155 20 0 FBADHO COCCN(C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413246338 484285450 /nfs/dbraw/zinc/28/54/50/484285450.db2.gz OYYALBJHJWOJLG-UHFFFAOYSA-N 1 3 371.526 -0.340 20 0 FBADHO COC(=O)[C@H]1CN(C)CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000413313556 484286824 /nfs/dbraw/zinc/28/68/24/484286824.db2.gz LKCRIVGYQODFHP-CVEARBPZSA-N 1 3 369.510 -0.384 20 0 FBADHO COC(=O)[C@H]1CN(C)CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000413313559 484287705 /nfs/dbraw/zinc/28/77/05/484287705.db2.gz LKCRIVGYQODFHP-HOTGVXAUSA-N 1 3 369.510 -0.384 20 0 FBADHO COC(=O)[C@@H]1CN(C)CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000413313561 484287577 /nfs/dbraw/zinc/28/75/77/484287577.db2.gz LKCRIVGYQODFHP-HZPDHXFCSA-N 1 3 369.510 -0.384 20 0 FBADHO COC(=O)[C@@H]1CN(C)CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000413313562 484286924 /nfs/dbraw/zinc/28/69/24/484286924.db2.gz LKCRIVGYQODFHP-JKSUJKDBSA-N 1 3 369.510 -0.384 20 0 FBADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000414808801 483682678 /nfs/dbraw/zinc/68/26/78/483682678.db2.gz TZKNXPJHVSRNIJ-UHFFFAOYSA-N 1 3 373.457 -0.150 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414971305 483824094 /nfs/dbraw/zinc/82/40/94/483824094.db2.gz IKKPCDMICJOAKR-INIZCTEOSA-N 1 3 373.457 -0.151 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414971641 483823920 /nfs/dbraw/zinc/82/39/20/483823920.db2.gz IKKPCDMICJOAKR-MRXNPFEDSA-N 1 3 373.457 -0.151 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)n1 ZINC000415322576 484098863 /nfs/dbraw/zinc/09/88/63/484098863.db2.gz YSXFULYYPFLVLB-UHFFFAOYSA-N 1 3 350.467 0.551 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000415668949 484101220 /nfs/dbraw/zinc/10/12/20/484101220.db2.gz ASGUCCBRBFFCCJ-CYBMUJFWSA-N 1 3 350.467 0.278 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000415668951 484100957 /nfs/dbraw/zinc/10/09/57/484100957.db2.gz ASGUCCBRBFFCCJ-ZDUSSCGKSA-N 1 3 350.467 0.278 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415948095 483885698 /nfs/dbraw/zinc/88/56/98/483885698.db2.gz BRMPBNAYEJVUAY-UHFFFAOYSA-N 1 3 351.455 -0.024 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415948095 483885695 /nfs/dbraw/zinc/88/56/95/483885695.db2.gz BRMPBNAYEJVUAY-UHFFFAOYSA-N 1 3 351.455 -0.024 20 0 FBADHO O=C(NC[C@@H]1CCCCN1CCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948591 483885852 /nfs/dbraw/zinc/88/58/52/483885852.db2.gz DENKJOVPUSBTCH-HNNXBMFYSA-N 1 3 363.466 -0.146 20 0 FBADHO O=C(NC[C@H]1CCCCN1CCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948592 483885526 /nfs/dbraw/zinc/88/55/26/483885526.db2.gz DENKJOVPUSBTCH-OAHLLOKOSA-N 1 3 363.466 -0.146 20 0 FBADHO O=C(NC[C@@H]1CCCN1CCCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415950615 483885632 /nfs/dbraw/zinc/88/56/32/483885632.db2.gz HUIWXXNXNGYHEU-HNNXBMFYSA-N 1 3 363.466 -0.146 20 0 FBADHO O=C(NC[C@H]1CCCN1CCCO)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415950616 483886205 /nfs/dbraw/zinc/88/62/05/483886205.db2.gz HUIWXXNXNGYHEU-OAHLLOKOSA-N 1 3 363.466 -0.146 20 0 FBADHO COCCN(CCN(C)C)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958079 483885587 /nfs/dbraw/zinc/88/55/87/483885587.db2.gz VXZQQPYATNCJKE-UHFFFAOYSA-N 1 3 351.455 -0.072 20 0 FBADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@H]1CCCN(CCCO)C1 ZINC000415959092 483885734 /nfs/dbraw/zinc/88/57/34/483885734.db2.gz YQVXEAMKEBRWGY-AWEZNQCLSA-N 1 3 363.466 -0.146 20 0 FBADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@@H]1CCCN(CCCO)C1 ZINC000415959093 483885749 /nfs/dbraw/zinc/88/57/49/483885749.db2.gz YQVXEAMKEBRWGY-CQSZACIVSA-N 1 3 363.466 -0.146 20 0 FBADHO CN(C)C1(CNC(=O)[C@@H]2CC[C@@H](C(=O)NCC3([NH+](C)C)CC3)O2)CC1 ZINC000416309730 483887298 /nfs/dbraw/zinc/88/72/98/483887298.db2.gz XAORGYAMPJAHJJ-KBPBESRZSA-N 1 3 352.479 -0.045 20 0 FBADHO CN(C)C1(CNC(=O)[C@H]2CC[C@H](C(=O)NCC3([NH+](C)C)CC3)O2)CC1 ZINC000416309732 483887261 /nfs/dbraw/zinc/88/72/61/483887261.db2.gz XAORGYAMPJAHJJ-ZIAGYGMSSA-N 1 3 352.479 -0.045 20 0 FBADHO [NH3+]C[C@H]1CN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCO1 ZINC000417391325 483942755 /nfs/dbraw/zinc/94/27/55/483942755.db2.gz RLBRWOJOYWOWPO-KRWDZBQOSA-N 1 3 362.478 -0.037 20 0 FBADHO [NH3+]C[C@@H]1CN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCO1 ZINC000417391337 483941732 /nfs/dbraw/zinc/94/17/32/483941732.db2.gz RLBRWOJOYWOWPO-QGZVFWFLSA-N 1 3 362.478 -0.037 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417426522 484002496 /nfs/dbraw/zinc/00/24/96/484002496.db2.gz HAOZVMOGZXHQRC-INIZCTEOSA-N 1 3 368.526 -0.476 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417426532 484002433 /nfs/dbraw/zinc/00/24/33/484002433.db2.gz HAOZVMOGZXHQRC-MRXNPFEDSA-N 1 3 368.526 -0.476 20 0 FBADHO COC[C@]1(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434242 484003421 /nfs/dbraw/zinc/00/34/21/484003421.db2.gz WXCULNZWIRIDFQ-CRAIPNDOSA-N 1 3 369.510 -0.003 20 0 FBADHO COC[C@]1(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434248 484003064 /nfs/dbraw/zinc/00/30/64/484003064.db2.gz WXCULNZWIRIDFQ-MAUKXSAKSA-N 1 3 369.510 -0.003 20 0 FBADHO COC[C@@]1(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434249 484002844 /nfs/dbraw/zinc/00/28/44/484002844.db2.gz WXCULNZWIRIDFQ-QAPCUYQASA-N 1 3 369.510 -0.003 20 0 FBADHO COC[C@@]1(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000417434250 484002582 /nfs/dbraw/zinc/00/25/82/484002582.db2.gz WXCULNZWIRIDFQ-YJBOKZPZSA-N 1 3 369.510 -0.003 20 0 FBADHO COCCN(C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417442019 484004653 /nfs/dbraw/zinc/00/46/53/484004653.db2.gz SDUMJVRERRUBGD-GFCCVEGCSA-N 1 3 355.405 -0.300 20 0 FBADHO COCCN(C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417442020 484004244 /nfs/dbraw/zinc/00/42/44/484004244.db2.gz SDUMJVRERRUBGD-LBPRGKRZSA-N 1 3 355.405 -0.300 20 0 FBADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417559761 484036897 /nfs/dbraw/zinc/03/68/97/484036897.db2.gz ANAGJOWZGBYDRD-CABCVRRESA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417559762 484036675 /nfs/dbraw/zinc/03/66/75/484036675.db2.gz ANAGJOWZGBYDRD-GJZGRUSLSA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417559763 484036615 /nfs/dbraw/zinc/03/66/15/484036615.db2.gz ANAGJOWZGBYDRD-HUUCEWRRSA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417559764 484037495 /nfs/dbraw/zinc/03/74/95/484037495.db2.gz ANAGJOWZGBYDRD-LSDHHAIUSA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702922 484065496 /nfs/dbraw/zinc/06/54/96/484065496.db2.gz JKUAYZSQGWCKRK-CHWSQXEVSA-N 1 3 367.416 -0.158 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702923 484065597 /nfs/dbraw/zinc/06/55/97/484065597.db2.gz JKUAYZSQGWCKRK-OLZOCXBDSA-N 1 3 367.416 -0.158 20 0 FBADHO COCCN1CC[C@H](NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702924 484065840 /nfs/dbraw/zinc/06/58/40/484065840.db2.gz JKUAYZSQGWCKRK-QWHCGFSZSA-N 1 3 367.416 -0.158 20 0 FBADHO COCCN1CC[C@H](NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417702925 484066572 /nfs/dbraw/zinc/06/65/72/484066572.db2.gz JKUAYZSQGWCKRK-STQMWFEESA-N 1 3 367.416 -0.158 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)ccn1 ZINC000417945038 484235833 /nfs/dbraw/zinc/23/58/33/484235833.db2.gz FFJWHGDQQBQDLR-HNNXBMFYSA-N 1 3 350.467 -0.275 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]2C[NH2+]CCN2C)ccn1 ZINC000417945039 484235747 /nfs/dbraw/zinc/23/57/47/484235747.db2.gz FFJWHGDQQBQDLR-OAHLLOKOSA-N 1 3 350.467 -0.275 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)NCCN2CC[NH2+]CC2)ccn1 ZINC000417949807 484268774 /nfs/dbraw/zinc/26/87/74/484268774.db2.gz KQWPOAJXQQFZJU-UHFFFAOYSA-N 1 3 350.467 -0.274 20 0 FBADHO CN(C)CCOCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418073040 484549255 /nfs/dbraw/zinc/54/92/55/484549255.db2.gz VXLMLXPQYSNGNS-GFCCVEGCSA-N 1 3 355.405 -0.300 20 0 FBADHO CN(C)CCOCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418073041 484549495 /nfs/dbraw/zinc/54/94/95/484549495.db2.gz VXLMLXPQYSNGNS-LBPRGKRZSA-N 1 3 355.405 -0.300 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285007 484139152 /nfs/dbraw/zinc/13/91/52/484139152.db2.gz DIWQRSAWGXJVDD-UHFFFAOYSA-N 1 3 368.526 -0.523 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285826 484159182 /nfs/dbraw/zinc/15/91/82/484159182.db2.gz GKQVTJHHWKMBJP-UHFFFAOYSA-N 1 3 366.510 -0.769 20 0 FBADHO O=C(CNC(=O)NCCCN1CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000418286956 484194447 /nfs/dbraw/zinc/19/44/47/484194447.db2.gz IXZCYKKIKVNOIN-UHFFFAOYSA-N 1 3 368.526 -0.427 20 0 FBADHO CCN1CCN(CC(C)(C)NC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418287235 484199904 /nfs/dbraw/zinc/19/99/04/484199904.db2.gz JQLKFOFSQCOTQW-UHFFFAOYSA-N 1 3 354.543 -0.003 20 0 FBADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418290992 484291248 /nfs/dbraw/zinc/29/12/48/484291248.db2.gz ANNQHPQVKPOBIX-UHFFFAOYSA-N 1 3 354.543 -0.049 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418291251 484293215 /nfs/dbraw/zinc/29/32/15/484293215.db2.gz AXVMRYZZGXQKHH-IBGZPJMESA-N 1 3 361.490 -0.172 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418291255 484293636 /nfs/dbraw/zinc/29/36/36/484293636.db2.gz AXVMRYZZGXQKHH-LJQANCHMSA-N 1 3 361.490 -0.172 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418296075 484465145 /nfs/dbraw/zinc/46/51/45/484465145.db2.gz IVSDFPMEPSDZEB-UHFFFAOYSA-N 1 3 354.499 -0.913 20 0 FBADHO CC(C)C[C@H](NC(=O)NCCN1CC[NH2+]CC1)C(=O)NCCN(C)C ZINC000418296434 484465110 /nfs/dbraw/zinc/46/51/10/484465110.db2.gz JIKAXQPWOIVSJV-HNNXBMFYSA-N 1 3 356.515 -0.717 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000418297630 484465825 /nfs/dbraw/zinc/46/58/25/484465825.db2.gz KNLDSJNBSKCXLR-GOSISDBHSA-N 1 3 361.490 -0.390 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418298637 484466784 /nfs/dbraw/zinc/46/67/84/484466784.db2.gz MQZYLYGYXBUAFH-INIZCTEOSA-N 1 3 366.510 -0.770 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418298894 484466875 /nfs/dbraw/zinc/46/68/75/484466875.db2.gz MQZYLYGYXBUAFH-MRXNPFEDSA-N 1 3 366.510 -0.770 20 0 FBADHO O=C(CNC(=O)NCCN1CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000418307967 484466678 /nfs/dbraw/zinc/46/66/78/484466678.db2.gz UEHWROSRBKUFIW-UHFFFAOYSA-N 1 3 354.499 -0.817 20 0 FBADHO COCC[NH2+]CCNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000418507746 484624777 /nfs/dbraw/zinc/62/47/77/484624777.db2.gz LLAYOOXQYJEALP-QGZVFWFLSA-N 1 3 350.463 -0.059 20 0 FBADHO CCN(CCO)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611574 484628276 /nfs/dbraw/zinc/62/82/76/484628276.db2.gz HXXUUROFTRPARA-GFCCVEGCSA-N 1 3 355.405 -0.564 20 0 FBADHO CCN(CCO)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611575 484628331 /nfs/dbraw/zinc/62/83/31/484628331.db2.gz HXXUUROFTRPARA-LBPRGKRZSA-N 1 3 355.405 -0.564 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418638587 484628344 /nfs/dbraw/zinc/62/83/44/484628344.db2.gz OPBJJQIGHNIQLA-GOSISDBHSA-N 1 3 369.510 -0.049 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418638589 484627625 /nfs/dbraw/zinc/62/76/25/484627625.db2.gz OPBJJQIGHNIQLA-SFHVURJKSA-N 1 3 369.510 -0.049 20 0 FBADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418681555 484628810 /nfs/dbraw/zinc/62/88/10/484628810.db2.gz YNSKANZIBRFFOE-VVLHAWIVSA-N 1 3 359.474 -0.208 20 0 FBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000418751966 484634205 /nfs/dbraw/zinc/63/42/05/484634205.db2.gz AYHQEJXAOHTCEQ-QZTJIDSGSA-N 1 3 361.490 -0.392 20 0 FBADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000418751967 484634259 /nfs/dbraw/zinc/63/42/59/484634259.db2.gz AYHQEJXAOHTCEQ-ZWKOTPCHSA-N 1 3 361.490 -0.392 20 0 FBADHO CC(C)C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)C(=O)NCCN(C)C ZINC000418752331 484634127 /nfs/dbraw/zinc/63/41/27/484634127.db2.gz BMBCMCRMZFHXKJ-CABCVRRESA-N 1 3 356.515 -0.718 20 0 FBADHO CC(C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)C(=O)NCCN(C)C ZINC000418752332 484634153 /nfs/dbraw/zinc/63/41/53/484634153.db2.gz BMBCMCRMZFHXKJ-GJZGRUSLSA-N 1 3 356.515 -0.718 20 0 FBADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418754369 484634632 /nfs/dbraw/zinc/63/46/32/484634632.db2.gz DYNHNWIDTQPPQW-HNNXBMFYSA-N 1 3 354.499 -0.819 20 0 FBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418754372 484634041 /nfs/dbraw/zinc/63/40/41/484634041.db2.gz DYNHNWIDTQPPQW-OAHLLOKOSA-N 1 3 354.499 -0.819 20 0 FBADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418756437 484632565 /nfs/dbraw/zinc/63/25/65/484632565.db2.gz GUCOMPQOXYPXGI-HKUYNNGSSA-N 1 3 361.490 -0.174 20 0 FBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418756438 484633163 /nfs/dbraw/zinc/63/31/63/484633163.db2.gz GUCOMPQOXYPXGI-IEBWSBKVSA-N 1 3 361.490 -0.174 20 0 FBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418756439 484633986 /nfs/dbraw/zinc/63/39/86/484633986.db2.gz GUCOMPQOXYPXGI-MJGOQNOKSA-N 1 3 361.490 -0.174 20 0 FBADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418756440 484634874 /nfs/dbraw/zinc/63/48/74/484634874.db2.gz GUCOMPQOXYPXGI-PKOBYXMFSA-N 1 3 361.490 -0.174 20 0 FBADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418759894 484634538 /nfs/dbraw/zinc/63/45/38/484634538.db2.gz JTEFRUBMABIMHN-KRWDZBQOSA-N 1 3 354.543 -0.051 20 0 FBADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418759895 484634320 /nfs/dbraw/zinc/63/43/20/484634320.db2.gz JTEFRUBMABIMHN-QGZVFWFLSA-N 1 3 354.543 -0.051 20 0 FBADHO CC(C)C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)C(=O)NCCN(C)C ZINC000418786426 484640896 /nfs/dbraw/zinc/64/08/96/484640896.db2.gz IWXZGDHHTDELDL-CABCVRRESA-N 1 3 357.499 -0.243 20 0 FBADHO CC(C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)C(=O)NCCN(C)C ZINC000418786434 484640798 /nfs/dbraw/zinc/64/07/98/484640798.db2.gz IWXZGDHHTDELDL-GJZGRUSLSA-N 1 3 357.499 -0.243 20 0 FBADHO O=C(CNC(=O)NC[C@@H]1C[NH2+]CCCO1)NCCN1CCCCCC1 ZINC000418805016 484645501 /nfs/dbraw/zinc/64/55/01/484645501.db2.gz ZRIFJCCZDRZFKG-HNNXBMFYSA-N 1 3 355.483 -0.344 20 0 FBADHO O=C(CNC(=O)NC[C@H]1C[NH2+]CCCO1)NCCN1CCCCCC1 ZINC000418805019 484644892 /nfs/dbraw/zinc/64/48/92/484644892.db2.gz ZRIFJCCZDRZFKG-OAHLLOKOSA-N 1 3 355.483 -0.344 20 0 FBADHO C[C@@]1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCCN1Cc1ccccc1 ZINC000418809551 484645724 /nfs/dbraw/zinc/64/57/24/484645724.db2.gz GLHKSBZRTMMNMU-IBGZPJMESA-N 1 3 362.474 -0.063 20 0 FBADHO C[C@]1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCCN1Cc1ccccc1 ZINC000418809552 484644749 /nfs/dbraw/zinc/64/47/49/484644749.db2.gz GLHKSBZRTMMNMU-LJQANCHMSA-N 1 3 362.474 -0.063 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418832583 484652669 /nfs/dbraw/zinc/65/26/69/484652669.db2.gz HLIWKFFHXFGMSH-DLBZAZTESA-N 1 3 362.474 -0.148 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418832585 484653327 /nfs/dbraw/zinc/65/33/27/484653327.db2.gz HLIWKFFHXFGMSH-IAGOWNOFSA-N 1 3 362.474 -0.148 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418832587 484653340 /nfs/dbraw/zinc/65/33/40/484653340.db2.gz HLIWKFFHXFGMSH-IRXDYDNUSA-N 1 3 362.474 -0.148 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418832588 484652756 /nfs/dbraw/zinc/65/27/56/484652756.db2.gz HLIWKFFHXFGMSH-SJORKVTESA-N 1 3 362.474 -0.148 20 0 FBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000418842305 484659182 /nfs/dbraw/zinc/65/91/82/484659182.db2.gz BIHOVKRDAUWKMF-KRWDZBQOSA-N 1 3 361.490 -0.703 20 0 FBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000418842308 484658147 /nfs/dbraw/zinc/65/81/47/484658147.db2.gz BIHOVKRDAUWKMF-QGZVFWFLSA-N 1 3 361.490 -0.703 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418847482 484661043 /nfs/dbraw/zinc/66/10/43/484661043.db2.gz JGZSRFMHKJJHEJ-DLBZAZTESA-N 1 3 362.474 -0.230 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418847483 484661547 /nfs/dbraw/zinc/66/15/47/484661547.db2.gz JGZSRFMHKJJHEJ-IAGOWNOFSA-N 1 3 362.474 -0.230 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418847484 484661560 /nfs/dbraw/zinc/66/15/60/484661560.db2.gz JGZSRFMHKJJHEJ-IRXDYDNUSA-N 1 3 362.474 -0.230 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418847485 484661281 /nfs/dbraw/zinc/66/12/81/484661281.db2.gz JGZSRFMHKJJHEJ-SJORKVTESA-N 1 3 362.474 -0.230 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000418857623 484666881 /nfs/dbraw/zinc/66/68/81/484666881.db2.gz ZOISDMJBWMIBON-KRWDZBQOSA-N 1 3 361.490 -0.703 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000418857710 484665642 /nfs/dbraw/zinc/66/56/42/484665642.db2.gz ZOISDMJBWMIBON-QGZVFWFLSA-N 1 3 361.490 -0.703 20 0 FBADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)N(CCN)CCO)CC2)CC1 ZINC000418860045 484668473 /nfs/dbraw/zinc/66/84/73/484668473.db2.gz BQAREVGAEASQSG-UHFFFAOYSA-N 1 3 354.495 -0.075 20 0 FBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418880172 484678282 /nfs/dbraw/zinc/67/82/82/484678282.db2.gz UWFXKRQJAAEQPR-DLBZAZTESA-N 1 3 362.474 -0.230 20 0 FBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418880174 484677381 /nfs/dbraw/zinc/67/73/81/484677381.db2.gz UWFXKRQJAAEQPR-IAGOWNOFSA-N 1 3 362.474 -0.230 20 0 FBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418880175 484677980 /nfs/dbraw/zinc/67/79/80/484677980.db2.gz UWFXKRQJAAEQPR-IRXDYDNUSA-N 1 3 362.474 -0.230 20 0 FBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418880176 484677851 /nfs/dbraw/zinc/67/78/51/484677851.db2.gz UWFXKRQJAAEQPR-SJORKVTESA-N 1 3 362.474 -0.230 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418882352 484679355 /nfs/dbraw/zinc/67/93/55/484679355.db2.gz SVJNLQXBLNGPQW-ILXRZTDVSA-N 1 3 370.494 -0.167 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418882352 484679351 /nfs/dbraw/zinc/67/93/51/484679351.db2.gz SVJNLQXBLNGPQW-ILXRZTDVSA-N 1 3 370.494 -0.167 20 0 FBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418882353 484679780 /nfs/dbraw/zinc/67/97/80/484679780.db2.gz SVJNLQXBLNGPQW-KFWWJZLASA-N 1 3 370.494 -0.167 20 0 FBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418882353 484679773 /nfs/dbraw/zinc/67/97/73/484679773.db2.gz SVJNLQXBLNGPQW-KFWWJZLASA-N 1 3 370.494 -0.167 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418882354 484679121 /nfs/dbraw/zinc/67/91/21/484679121.db2.gz SVJNLQXBLNGPQW-QLFBSQMISA-N 1 3 370.494 -0.167 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418882354 484679117 /nfs/dbraw/zinc/67/91/17/484679117.db2.gz SVJNLQXBLNGPQW-QLFBSQMISA-N 1 3 370.494 -0.167 20 0 FBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418882355 484679203 /nfs/dbraw/zinc/67/92/03/484679203.db2.gz SVJNLQXBLNGPQW-RBSFLKMASA-N 1 3 370.494 -0.167 20 0 FBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418882355 484679200 /nfs/dbraw/zinc/67/92/00/484679200.db2.gz SVJNLQXBLNGPQW-RBSFLKMASA-N 1 3 370.494 -0.167 20 0 FBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418882410 484679801 /nfs/dbraw/zinc/67/98/01/484679801.db2.gz YUTAFJWGULERIN-DLBZAZTESA-N 1 3 362.474 -0.148 20 0 FBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418882412 484679634 /nfs/dbraw/zinc/67/96/34/484679634.db2.gz YUTAFJWGULERIN-IAGOWNOFSA-N 1 3 362.474 -0.148 20 0 FBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418882414 484679335 /nfs/dbraw/zinc/67/93/35/484679335.db2.gz YUTAFJWGULERIN-IRXDYDNUSA-N 1 3 362.474 -0.148 20 0 FBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418882416 484679821 /nfs/dbraw/zinc/67/98/21/484679821.db2.gz YUTAFJWGULERIN-SJORKVTESA-N 1 3 362.474 -0.148 20 0 FBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418952827 484692935 /nfs/dbraw/zinc/69/29/35/484692935.db2.gz KVBQUKDYUSSBRR-DZGCQCFKSA-N 1 3 363.462 -0.248 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418952828 484693855 /nfs/dbraw/zinc/69/38/55/484693855.db2.gz KVBQUKDYUSSBRR-HIFRSBDPSA-N 1 3 363.462 -0.248 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418952829 484693362 /nfs/dbraw/zinc/69/33/62/484693362.db2.gz KVBQUKDYUSSBRR-UKRRQHHQSA-N 1 3 363.462 -0.248 20 0 FBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418952831 484693073 /nfs/dbraw/zinc/69/30/73/484693073.db2.gz KVBQUKDYUSSBRR-ZFWWWQNUSA-N 1 3 363.462 -0.248 20 0 FBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418954494 484692772 /nfs/dbraw/zinc/69/27/72/484692772.db2.gz ODRVLWRCNFLAAK-AWEZNQCLSA-N 1 3 351.451 -0.262 20 0 FBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418954498 484692826 /nfs/dbraw/zinc/69/28/26/484692826.db2.gz ODRVLWRCNFLAAK-CQSZACIVSA-N 1 3 351.451 -0.262 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000418957345 484694961 /nfs/dbraw/zinc/69/49/61/484694961.db2.gz DNMPZZRABMZONT-INIZCTEOSA-N 1 3 361.490 -0.356 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000418957346 484695036 /nfs/dbraw/zinc/69/50/36/484695036.db2.gz DNMPZZRABMZONT-MRXNPFEDSA-N 1 3 361.490 -0.356 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)ccn1 ZINC000418957873 484695454 /nfs/dbraw/zinc/69/54/54/484695454.db2.gz WFARXFOMLJTWKP-HNNXBMFYSA-N 1 3 363.462 -0.104 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)ccn1 ZINC000418957874 484694861 /nfs/dbraw/zinc/69/48/61/484694861.db2.gz WFARXFOMLJTWKP-OAHLLOKOSA-N 1 3 363.462 -0.104 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccn1 ZINC000418958895 484695203 /nfs/dbraw/zinc/69/52/03/484695203.db2.gz YLRIQFPUHSFAGJ-CABCVRRESA-N 1 3 361.446 -0.542 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418959397 484694418 /nfs/dbraw/zinc/69/44/18/484694418.db2.gz ZWQADOUPMNNTKY-HNNXBMFYSA-N 1 3 363.462 -0.151 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000418959398 484694342 /nfs/dbraw/zinc/69/43/42/484694342.db2.gz ZWQADOUPMNNTKY-OAHLLOKOSA-N 1 3 363.462 -0.151 20 0 FBADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419022926 484699419 /nfs/dbraw/zinc/69/94/19/484699419.db2.gz CHMPWGVVXXGKHX-HNNXBMFYSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419022927 484700011 /nfs/dbraw/zinc/70/00/11/484700011.db2.gz CHMPWGVVXXGKHX-OAHLLOKOSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419024747 484699602 /nfs/dbraw/zinc/69/96/02/484699602.db2.gz KYWJCKXDHJUDID-KFWWJZLASA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419024749 484699928 /nfs/dbraw/zinc/69/99/28/484699928.db2.gz KYWJCKXDHJUDID-QLFBSQMISA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419024749 484699923 /nfs/dbraw/zinc/69/99/23/484699923.db2.gz KYWJCKXDHJUDID-QLFBSQMISA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419024752 484699977 /nfs/dbraw/zinc/69/99/77/484699977.db2.gz KYWJCKXDHJUDID-RBSFLKMASA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419024754 484699276 /nfs/dbraw/zinc/69/92/76/484699276.db2.gz KYWJCKXDHJUDID-ZNMIVQPWSA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419024754 484699271 /nfs/dbraw/zinc/69/92/71/484699271.db2.gz KYWJCKXDHJUDID-ZNMIVQPWSA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419024927 484699692 /nfs/dbraw/zinc/69/96/92/484699692.db2.gz LHKWKZZCOWXVGM-FZKCQIBNSA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419024928 484699484 /nfs/dbraw/zinc/69/94/84/484699484.db2.gz LHKWKZZCOWXVGM-QKPAOTATSA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419024930 484699804 /nfs/dbraw/zinc/69/98/04/484699804.db2.gz LHKWKZZCOWXVGM-QXSJWSMHSA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419024931 484699159 /nfs/dbraw/zinc/69/91/59/484699159.db2.gz LHKWKZZCOWXVGM-XUWVNRHRSA-N 1 3 354.495 -0.036 20 0 FBADHO [NH3+]CCN(CCO)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419026906 484699614 /nfs/dbraw/zinc/69/96/14/484699614.db2.gz BZEHHQRLAPTABV-UHFFFAOYSA-N 1 3 372.535 -0.366 20 0 FBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030979 484701231 /nfs/dbraw/zinc/70/12/31/484701231.db2.gz UOZHILQKWWFOIX-BZUAXINKSA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030982 484701574 /nfs/dbraw/zinc/70/15/74/484701574.db2.gz UOZHILQKWWFOIX-OAGGEKHMSA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030985 484701031 /nfs/dbraw/zinc/70/10/31/484701031.db2.gz UOZHILQKWWFOIX-OWCLPIDISA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419030987 484700841 /nfs/dbraw/zinc/70/08/41/484700841.db2.gz UOZHILQKWWFOIX-XHSDSOJGSA-N 1 3 353.511 -0.510 20 0 FBADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH2+]C ZINC000419054102 484706317 /nfs/dbraw/zinc/70/63/17/484706317.db2.gz GTEAYNADVWEQIN-IAGOWNOFSA-N 1 3 362.474 -0.025 20 0 FBADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419060997 484707977 /nfs/dbraw/zinc/70/79/77/484707977.db2.gz URLKPGQYUIWWAB-QZTJIDSGSA-N 1 3 374.485 -0.025 20 0 FBADHO NCCN(CCO)C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419081111 484704101 /nfs/dbraw/zinc/70/41/01/484704101.db2.gz YECZKOIIABBWRY-UHFFFAOYSA-N 1 3 362.474 -0.206 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419115335 484714714 /nfs/dbraw/zinc/71/47/14/484714714.db2.gz XXJWGLXCVSGHFN-AWEZNQCLSA-N 1 3 353.467 -0.957 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419115345 484714553 /nfs/dbraw/zinc/71/45/53/484714553.db2.gz XXJWGLXCVSGHFN-CQSZACIVSA-N 1 3 353.467 -0.957 20 0 FBADHO CN(CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419117011 484714923 /nfs/dbraw/zinc/71/49/23/484714923.db2.gz ZIXKGZSNYJJUJL-GFCCVEGCSA-N 1 3 365.400 -0.851 20 0 FBADHO CN(CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC1 ZINC000419117012 484715570 /nfs/dbraw/zinc/71/55/70/484715570.db2.gz ZIXKGZSNYJJUJL-LBPRGKRZSA-N 1 3 365.400 -0.851 20 0 FBADHO [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419132403 484719579 /nfs/dbraw/zinc/71/95/79/484719579.db2.gz BJRVTJISDQRXRF-DLBZAZTESA-N 1 3 360.458 -0.047 20 0 FBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419132405 484720382 /nfs/dbraw/zinc/72/03/82/484720382.db2.gz BJRVTJISDQRXRF-IAGOWNOFSA-N 1 3 360.458 -0.047 20 0 FBADHO [NH3+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419132407 484720158 /nfs/dbraw/zinc/72/01/58/484720158.db2.gz BJRVTJISDQRXRF-IRXDYDNUSA-N 1 3 360.458 -0.047 20 0 FBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000419132408 484720215 /nfs/dbraw/zinc/72/02/15/484720215.db2.gz BJRVTJISDQRXRF-SJORKVTESA-N 1 3 360.458 -0.047 20 0 FBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419133686 484720186 /nfs/dbraw/zinc/72/01/86/484720186.db2.gz GKBSLPLVOPYVBY-IYBDPMFKSA-N 1 3 360.458 -0.079 20 0 FBADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419137761 484726265 /nfs/dbraw/zinc/72/62/65/484726265.db2.gz RBUJIMGZNWSEFW-DLBZAZTESA-N 1 3 360.458 -0.128 20 0 FBADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419137763 484726014 /nfs/dbraw/zinc/72/60/14/484726014.db2.gz RBUJIMGZNWSEFW-IAGOWNOFSA-N 1 3 360.458 -0.128 20 0 FBADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419137765 484725454 /nfs/dbraw/zinc/72/54/54/484725454.db2.gz RBUJIMGZNWSEFW-IRXDYDNUSA-N 1 3 360.458 -0.128 20 0 FBADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419137767 484725887 /nfs/dbraw/zinc/72/58/87/484725887.db2.gz RBUJIMGZNWSEFW-SJORKVTESA-N 1 3 360.458 -0.128 20 0 FBADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000419151921 484729094 /nfs/dbraw/zinc/72/90/94/484729094.db2.gz MVDWLFOFSSMCRZ-INIZCTEOSA-N 1 3 354.495 -0.035 20 0 FBADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000419151922 484729064 /nfs/dbraw/zinc/72/90/64/484729064.db2.gz MVDWLFOFSSMCRZ-MRXNPFEDSA-N 1 3 354.495 -0.035 20 0 FBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419155671 484720050 /nfs/dbraw/zinc/72/00/50/484720050.db2.gz UFIQCMIFZZTOKK-HNNXBMFYSA-N 1 3 364.446 -0.571 20 0 FBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419155672 484720205 /nfs/dbraw/zinc/72/02/05/484720205.db2.gz UFIQCMIFZZTOKK-OAHLLOKOSA-N 1 3 364.446 -0.571 20 0 FBADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419163661 484721791 /nfs/dbraw/zinc/72/17/91/484721791.db2.gz KDORCAGQNNFUFB-DLBZAZTESA-N 1 3 360.458 -0.128 20 0 FBADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419163662 484721449 /nfs/dbraw/zinc/72/14/49/484721449.db2.gz KDORCAGQNNFUFB-IAGOWNOFSA-N 1 3 360.458 -0.128 20 0 FBADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419163663 484721198 /nfs/dbraw/zinc/72/11/98/484721198.db2.gz KDORCAGQNNFUFB-IRXDYDNUSA-N 1 3 360.458 -0.128 20 0 FBADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419163664 484721654 /nfs/dbraw/zinc/72/16/54/484721654.db2.gz KDORCAGQNNFUFB-SJORKVTESA-N 1 3 360.458 -0.128 20 0 FBADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419172119 484723109 /nfs/dbraw/zinc/72/31/09/484723109.db2.gz QOQIPYNOJBXBSK-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419172122 484722739 /nfs/dbraw/zinc/72/27/39/484722739.db2.gz QOQIPYNOJBXBSK-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H]1C[NH3+] ZINC000419176857 484724558 /nfs/dbraw/zinc/72/45/58/484724558.db2.gz CIMNHCKXUSIJSS-CABCVRRESA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H]1C[NH3+] ZINC000419176858 484723992 /nfs/dbraw/zinc/72/39/92/484723992.db2.gz CIMNHCKXUSIJSS-GJZGRUSLSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000419176859 484724130 /nfs/dbraw/zinc/72/41/30/484724130.db2.gz CIMNHCKXUSIJSS-HUUCEWRRSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000419176860 484724427 /nfs/dbraw/zinc/72/44/27/484724427.db2.gz CIMNHCKXUSIJSS-LSDHHAIUSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H]1C[NH3+] ZINC000419176873 484724396 /nfs/dbraw/zinc/72/43/96/484724396.db2.gz CLFLBSJZRMOXMS-CABCVRRESA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H]1C[NH3+] ZINC000419176874 484723848 /nfs/dbraw/zinc/72/38/48/484723848.db2.gz CLFLBSJZRMOXMS-GJZGRUSLSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H]1C[NH3+] ZINC000419176875 484724044 /nfs/dbraw/zinc/72/40/44/484724044.db2.gz CLFLBSJZRMOXMS-HUUCEWRRSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H]1C[NH3+] ZINC000419176876 484724244 /nfs/dbraw/zinc/72/42/44/484724244.db2.gz CLFLBSJZRMOXMS-LSDHHAIUSA-N 1 3 353.511 -0.286 20 0 FBADHO CCCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000419182841 484731876 /nfs/dbraw/zinc/73/18/76/484731876.db2.gz LUHKJKTYXYOYPW-HNNXBMFYSA-N 1 3 353.511 -0.271 20 0 FBADHO CCCN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000419182843 484732333 /nfs/dbraw/zinc/73/23/33/484732333.db2.gz LUHKJKTYXYOYPW-OAHLLOKOSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419184347 484733995 /nfs/dbraw/zinc/73/39/95/484733995.db2.gz NIBBGGUCWYKCJF-CABCVRRESA-N 1 3 353.511 -0.143 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419184348 484733674 /nfs/dbraw/zinc/73/36/74/484733674.db2.gz NIBBGGUCWYKCJF-GJZGRUSLSA-N 1 3 353.511 -0.143 20 0 FBADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419184349 484733721 /nfs/dbraw/zinc/73/37/21/484733721.db2.gz NIBBGGUCWYKCJF-HUUCEWRRSA-N 1 3 353.511 -0.143 20 0 FBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419184350 484734513 /nfs/dbraw/zinc/73/45/13/484734513.db2.gz NIBBGGUCWYKCJF-LSDHHAIUSA-N 1 3 353.511 -0.143 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1(C)C ZINC000419189315 484734495 /nfs/dbraw/zinc/73/44/95/484734495.db2.gz TZRGBCVIHDCFNX-HNNXBMFYSA-N 1 3 353.511 -0.238 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1(C)C ZINC000419189316 484734122 /nfs/dbraw/zinc/73/41/22/484734122.db2.gz TZRGBCVIHDCFNX-OAHLLOKOSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419189380 484734462 /nfs/dbraw/zinc/73/44/62/484734462.db2.gz UIEZLVKSUVGIES-KBPBESRZSA-N 1 3 369.510 -0.642 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419189380 484734458 /nfs/dbraw/zinc/73/44/58/484734458.db2.gz UIEZLVKSUVGIES-KBPBESRZSA-N 1 3 369.510 -0.642 20 0 FBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419189381 484733826 /nfs/dbraw/zinc/73/38/26/484733826.db2.gz UIEZLVKSUVGIES-KGLIPLIRSA-N 1 3 369.510 -0.642 20 0 FBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419189381 484733820 /nfs/dbraw/zinc/73/38/20/484733820.db2.gz UIEZLVKSUVGIES-KGLIPLIRSA-N 1 3 369.510 -0.642 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419189382 484733794 /nfs/dbraw/zinc/73/37/94/484733794.db2.gz UIEZLVKSUVGIES-UONOGXRCSA-N 1 3 369.510 -0.642 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419189382 484733787 /nfs/dbraw/zinc/73/37/87/484733787.db2.gz UIEZLVKSUVGIES-UONOGXRCSA-N 1 3 369.510 -0.642 20 0 FBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419189383 484734655 /nfs/dbraw/zinc/73/46/55/484734655.db2.gz UIEZLVKSUVGIES-ZIAGYGMSSA-N 1 3 369.510 -0.642 20 0 FBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419189383 484734649 /nfs/dbraw/zinc/73/46/49/484734649.db2.gz UIEZLVKSUVGIES-ZIAGYGMSSA-N 1 3 369.510 -0.642 20 0 FBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419191231 484733545 /nfs/dbraw/zinc/73/35/45/484733545.db2.gz WERHINYSLXUSMK-HNNXBMFYSA-N 1 3 355.527 -0.040 20 0 FBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000419191232 484733586 /nfs/dbraw/zinc/73/35/86/484733586.db2.gz WERHINYSLXUSMK-OAHLLOKOSA-N 1 3 355.527 -0.040 20 0 FBADHO Cc1ccccc1CN1CCC(NC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000419191404 484734329 /nfs/dbraw/zinc/73/43/29/484734329.db2.gz OCBUZNMIHLIESR-UHFFFAOYSA-N 1 3 362.474 -0.145 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000419192972 484734556 /nfs/dbraw/zinc/73/45/56/484734556.db2.gz QAOAYBZFPKCSRE-INIZCTEOSA-N 1 3 353.511 -0.271 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000419192973 484733890 /nfs/dbraw/zinc/73/38/90/484733890.db2.gz QAOAYBZFPKCSRE-MRXNPFEDSA-N 1 3 353.511 -0.271 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1(C)C ZINC000419193601 484733942 /nfs/dbraw/zinc/73/39/42/484733942.db2.gz ZKVRSVGEJXNACH-UHFFFAOYSA-N 1 3 353.511 -0.094 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000419193622 484734013 /nfs/dbraw/zinc/73/40/13/484734013.db2.gz ZNLQHVNCEDHEJF-CABCVRRESA-N 1 3 353.511 -0.238 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000419193623 484733627 /nfs/dbraw/zinc/73/36/27/484733627.db2.gz ZNLQHVNCEDHEJF-GJZGRUSLSA-N 1 3 353.511 -0.238 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000419193625 484733658 /nfs/dbraw/zinc/73/36/58/484733658.db2.gz ZNLQHVNCEDHEJF-HUUCEWRRSA-N 1 3 353.511 -0.238 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000419193627 484734612 /nfs/dbraw/zinc/73/46/12/484734612.db2.gz ZNLQHVNCEDHEJF-LSDHHAIUSA-N 1 3 353.511 -0.238 20 0 FBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000419203639 484728519 /nfs/dbraw/zinc/72/85/19/484728519.db2.gz HXGZKTRYGIBODM-INIZCTEOSA-N 1 3 364.446 -0.571 20 0 FBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000419203640 484729282 /nfs/dbraw/zinc/72/92/82/484729282.db2.gz HXGZKTRYGIBODM-MRXNPFEDSA-N 1 3 364.446 -0.571 20 0 FBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419205319 484729208 /nfs/dbraw/zinc/72/92/08/484729208.db2.gz JWLVQYYCKCXMOI-INIZCTEOSA-N 1 3 364.446 -0.571 20 0 FBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419205320 484728790 /nfs/dbraw/zinc/72/87/90/484728790.db2.gz JWLVQYYCKCXMOI-MRXNPFEDSA-N 1 3 364.446 -0.571 20 0 FBADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N(CCN)CCO ZINC000419212480 484730845 /nfs/dbraw/zinc/73/08/45/484730845.db2.gz KHNBREWKPZBCMP-UHFFFAOYSA-N 1 3 350.463 -0.077 20 0 FBADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N(CCN)CCO ZINC000419212480 484730844 /nfs/dbraw/zinc/73/08/44/484730844.db2.gz KHNBREWKPZBCMP-UHFFFAOYSA-N 1 3 350.463 -0.077 20 0 FBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419212840 484730595 /nfs/dbraw/zinc/73/05/95/484730595.db2.gz KNWOOSONDNNQLQ-IYBDPMFKSA-N 1 3 360.458 -0.079 20 0 FBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000419213991 484730539 /nfs/dbraw/zinc/73/05/39/484730539.db2.gz LXKMRBUSTDGXJT-IYBDPMFKSA-N 1 3 360.458 -0.079 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419220991 484731966 /nfs/dbraw/zinc/73/19/66/484731966.db2.gz AKIDQHKSZCCQCF-INIZCTEOSA-N 1 3 351.495 -0.612 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419220992 484732864 /nfs/dbraw/zinc/73/28/64/484732864.db2.gz AKIDQHKSZCCQCF-MRXNPFEDSA-N 1 3 351.495 -0.612 20 0 FBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCCO1 ZINC000419223058 484732131 /nfs/dbraw/zinc/73/21/31/484732131.db2.gz CEDZQJXLVCWNIM-CVEARBPZSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CCCO1 ZINC000419223059 484733165 /nfs/dbraw/zinc/73/31/65/484733165.db2.gz CEDZQJXLVCWNIM-HOTGVXAUSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCCO1 ZINC000419223060 484733045 /nfs/dbraw/zinc/73/30/45/484733045.db2.gz CEDZQJXLVCWNIM-HZPDHXFCSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CCCO1 ZINC000419223061 484732688 /nfs/dbraw/zinc/73/26/88/484732688.db2.gz CEDZQJXLVCWNIM-JKSUJKDBSA-N 1 3 352.479 -0.057 20 0 FBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419235771 484735435 /nfs/dbraw/zinc/73/54/35/484735435.db2.gz ZNBFYQAOGWKFQK-CVEARBPZSA-N 1 3 352.479 -0.138 20 0 FBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419235773 484736351 /nfs/dbraw/zinc/73/63/51/484736351.db2.gz ZNBFYQAOGWKFQK-HOTGVXAUSA-N 1 3 352.479 -0.138 20 0 FBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419235775 484735414 /nfs/dbraw/zinc/73/54/14/484735414.db2.gz ZNBFYQAOGWKFQK-HZPDHXFCSA-N 1 3 352.479 -0.138 20 0 FBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419235778 484735100 /nfs/dbraw/zinc/73/51/00/484735100.db2.gz ZNBFYQAOGWKFQK-JKSUJKDBSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCC1 ZINC000419241153 484736058 /nfs/dbraw/zinc/73/60/58/484736058.db2.gz PXTXXAYWXFWGQC-AWEZNQCLSA-N 1 3 367.494 -0.567 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC1 ZINC000419241154 484736288 /nfs/dbraw/zinc/73/62/88/484736288.db2.gz PXTXXAYWXFWGQC-CQSZACIVSA-N 1 3 367.494 -0.567 20 0 FBADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419284592 484742048 /nfs/dbraw/zinc/74/20/48/484742048.db2.gz LQOJMZRMTJKCPC-AWEZNQCLSA-N 1 3 355.483 -0.852 20 0 FBADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419284593 484742735 /nfs/dbraw/zinc/74/27/35/484742735.db2.gz LQOJMZRMTJKCPC-CQSZACIVSA-N 1 3 355.483 -0.852 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCCC[NH3+])CC1 ZINC000419325237 484742561 /nfs/dbraw/zinc/74/25/61/484742561.db2.gz AXLHXOCMTDBHAS-UHFFFAOYSA-N 1 3 361.490 -0.095 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419325806 484742598 /nfs/dbraw/zinc/74/25/98/484742598.db2.gz BOZDAFMDUVDCAV-UHFFFAOYSA-N 1 3 361.490 -0.224 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000419329968 484742273 /nfs/dbraw/zinc/74/22/73/484742273.db2.gz FPEIHSVPKHWKDI-GOSISDBHSA-N 1 3 373.501 0.000 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000419329969 484741612 /nfs/dbraw/zinc/74/16/12/484741612.db2.gz FPEIHSVPKHWKDI-SFHVURJKSA-N 1 3 373.501 0.000 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000419333817 484741924 /nfs/dbraw/zinc/74/19/24/484741924.db2.gz IODYTDSLEHRMFA-GOSISDBHSA-N 1 3 373.501 0.000 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000419333818 484741741 /nfs/dbraw/zinc/74/17/41/484741741.db2.gz IODYTDSLEHRMFA-SFHVURJKSA-N 1 3 373.501 0.000 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000419333833 484742094 /nfs/dbraw/zinc/74/20/94/484742094.db2.gz IQDCREWGKOEANR-UHFFFAOYSA-N 1 3 361.490 -0.143 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCCC[NH3+])cc2)CC1 ZINC000419335138 484742334 /nfs/dbraw/zinc/74/23/34/484742334.db2.gz JLADJDATNPNOPI-UHFFFAOYSA-N 1 3 361.490 -0.095 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000419336467 484742697 /nfs/dbraw/zinc/74/26/97/484742697.db2.gz KLRJZDDCKWJJCB-HNNXBMFYSA-N 1 3 361.490 -0.096 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000419336468 484741479 /nfs/dbraw/zinc/74/14/79/484741479.db2.gz KLRJZDDCKWJJCB-OAHLLOKOSA-N 1 3 361.490 -0.096 20 0 FBADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCNCC3)cc2)CC1 ZINC000419337167 484742297 /nfs/dbraw/zinc/74/22/97/484742297.db2.gz KQRWPDRTYGTDML-UHFFFAOYSA-N 1 3 373.501 -0.128 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H](C)C[NH3+])cc2)CC1 ZINC000419342653 484744572 /nfs/dbraw/zinc/74/45/72/484744572.db2.gz PQXFPJPBIVWESP-HNNXBMFYSA-N 1 3 361.490 -0.096 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[NH3+])cc2)CC1 ZINC000419342654 484744725 /nfs/dbraw/zinc/74/47/25/484744725.db2.gz PQXFPJPBIVWESP-OAHLLOKOSA-N 1 3 361.490 -0.096 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000419342967 484744862 /nfs/dbraw/zinc/74/48/62/484744862.db2.gz QEVBVHVPEABOMQ-GOSISDBHSA-N 1 3 373.501 -0.082 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000419342968 484743794 /nfs/dbraw/zinc/74/37/94/484743794.db2.gz QEVBVHVPEABOMQ-SFHVURJKSA-N 1 3 373.501 -0.082 20 0 FBADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344979 484744304 /nfs/dbraw/zinc/74/43/04/484744304.db2.gz JMMZBXKJWPKFES-KBPBESRZSA-N 1 3 355.483 -0.820 20 0 FBADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344979 484744296 /nfs/dbraw/zinc/74/42/96/484744296.db2.gz JMMZBXKJWPKFES-KBPBESRZSA-N 1 3 355.483 -0.820 20 0 FBADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344980 484743965 /nfs/dbraw/zinc/74/39/65/484743965.db2.gz JMMZBXKJWPKFES-KGLIPLIRSA-N 1 3 355.483 -0.820 20 0 FBADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344980 484743961 /nfs/dbraw/zinc/74/39/61/484743961.db2.gz JMMZBXKJWPKFES-KGLIPLIRSA-N 1 3 355.483 -0.820 20 0 FBADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344981 484744433 /nfs/dbraw/zinc/74/44/33/484744433.db2.gz JMMZBXKJWPKFES-UONOGXRCSA-N 1 3 355.483 -0.820 20 0 FBADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000419344981 484744426 /nfs/dbraw/zinc/74/44/26/484744426.db2.gz JMMZBXKJWPKFES-UONOGXRCSA-N 1 3 355.483 -0.820 20 0 FBADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344982 484743932 /nfs/dbraw/zinc/74/39/32/484743932.db2.gz JMMZBXKJWPKFES-ZIAGYGMSSA-N 1 3 355.483 -0.820 20 0 FBADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419344982 484743926 /nfs/dbraw/zinc/74/39/26/484743926.db2.gz JMMZBXKJWPKFES-ZIAGYGMSSA-N 1 3 355.483 -0.820 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H]1CN ZINC000419345506 484743831 /nfs/dbraw/zinc/74/38/31/484743831.db2.gz LFGRGJMWUFGEAF-ILXRZTDVSA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]1CN ZINC000419345506 484743828 /nfs/dbraw/zinc/74/38/28/484743828.db2.gz LFGRGJMWUFGEAF-ILXRZTDVSA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1CN ZINC000419345507 484743859 /nfs/dbraw/zinc/74/38/59/484743859.db2.gz LFGRGJMWUFGEAF-KFWWJZLASA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1CN ZINC000419345507 484743855 /nfs/dbraw/zinc/74/38/55/484743855.db2.gz LFGRGJMWUFGEAF-KFWWJZLASA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1CN ZINC000419345508 484744464 /nfs/dbraw/zinc/74/44/64/484744464.db2.gz LFGRGJMWUFGEAF-QLFBSQMISA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1CN ZINC000419345508 484744452 /nfs/dbraw/zinc/74/44/52/484744452.db2.gz LFGRGJMWUFGEAF-QLFBSQMISA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1CN ZINC000419345509 484744088 /nfs/dbraw/zinc/74/40/88/484744088.db2.gz LFGRGJMWUFGEAF-RBSFLKMASA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1CN ZINC000419345509 484744082 /nfs/dbraw/zinc/74/40/82/484744082.db2.gz LFGRGJMWUFGEAF-RBSFLKMASA-N 1 3 367.494 -0.724 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)N(C)CC[NH3+])cc2)CC1 ZINC000419346091 484743699 /nfs/dbraw/zinc/74/36/99/484743699.db2.gz UVDVNGVLXMYQNO-UHFFFAOYSA-N 1 3 361.490 -0.143 20 0 FBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000419348523 484743817 /nfs/dbraw/zinc/74/38/17/484743817.db2.gz BGYRUDBDWRWULS-INIZCTEOSA-N 1 3 374.489 -0.470 20 0 FBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000419348524 484744704 /nfs/dbraw/zinc/74/47/04/484744704.db2.gz BGYRUDBDWRWULS-MRXNPFEDSA-N 1 3 374.489 -0.470 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419348660 484745334 /nfs/dbraw/zinc/74/53/34/484745334.db2.gz XVZCENSGYGMTPN-GOSISDBHSA-N 1 3 373.501 -0.082 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419348661 484746403 /nfs/dbraw/zinc/74/64/03/484746403.db2.gz XVZCENSGYGMTPN-SFHVURJKSA-N 1 3 373.501 -0.082 20 0 FBADHO [NH3+]C1(CNC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)CCC1 ZINC000419348896 484745856 /nfs/dbraw/zinc/74/58/56/484745856.db2.gz CGBYHBKPWUOSSA-UHFFFAOYSA-N 1 3 374.489 -0.293 20 0 FBADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCNCC2)CC1 ZINC000419349451 484745905 /nfs/dbraw/zinc/74/59/05/484745905.db2.gz YKKVFUAITSVTJR-UHFFFAOYSA-N 1 3 373.501 -0.128 20 0 FBADHO CC(C)([NH3+])CNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000419349844 484746576 /nfs/dbraw/zinc/74/65/76/484746576.db2.gz DTFKXGGUOIYSNA-UHFFFAOYSA-N 1 3 362.478 -0.437 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)C[C@H]1[NH3+] ZINC000419349883 484746064 /nfs/dbraw/zinc/74/60/64/484746064.db2.gz DXLCMYWYRAAYPP-NVXWUHKLSA-N 1 3 374.489 -0.485 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC[NH2+]C)cc2)CC1 ZINC000419350124 484746479 /nfs/dbraw/zinc/74/64/79/484746479.db2.gz ZBYXJVCHUOYKSX-UHFFFAOYSA-N 1 3 361.490 -0.224 20 0 FBADHO C[C@H]1CNCCN1C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419350946 484745459 /nfs/dbraw/zinc/74/54/59/484745459.db2.gz GNZGEVZWJLTATD-INIZCTEOSA-N 1 3 374.489 -0.470 20 0 FBADHO C[C@@H]1CNCCN1C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419350949 484745443 /nfs/dbraw/zinc/74/54/43/484745443.db2.gz GNZGEVZWJLTATD-MRXNPFEDSA-N 1 3 374.489 -0.470 20 0 FBADHO C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000419350951 483676162 /nfs/dbraw/zinc/67/61/62/483676162.db2.gz GOEICMUUMCJSJD-UHFFFAOYSA-N 1 3 362.478 -0.612 20 0 FBADHO C[NH2+]CCCNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000419351242 484746190 /nfs/dbraw/zinc/74/61/90/484746190.db2.gz GWJHJCSORODAQN-UHFFFAOYSA-N 1 3 362.478 -0.564 20 0 FBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000419351520 484746241 /nfs/dbraw/zinc/74/62/41/484746241.db2.gz HHWQDAIQTALZFD-HNNXBMFYSA-N 1 3 362.478 -0.437 20 0 FBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000419351521 484746105 /nfs/dbraw/zinc/74/61/05/484746105.db2.gz HHWQDAIQTALZFD-OAHLLOKOSA-N 1 3 362.478 -0.437 20 0 FBADHO NC[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000419352592 484745694 /nfs/dbraw/zinc/74/56/94/484745694.db2.gz ZTOWGXNQOUXLKL-CABCVRRESA-N 1 3 367.494 -0.676 20 0 FBADHO NC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000419352592 484745688 /nfs/dbraw/zinc/74/56/88/484745688.db2.gz ZTOWGXNQOUXLKL-CABCVRRESA-N 1 3 367.494 -0.676 20 0 FBADHO NC[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000419352593 484745964 /nfs/dbraw/zinc/74/59/64/484745964.db2.gz ZTOWGXNQOUXLKL-GJZGRUSLSA-N 1 3 367.494 -0.676 20 0 FBADHO NC[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000419352593 484745960 /nfs/dbraw/zinc/74/59/60/484745960.db2.gz ZTOWGXNQOUXLKL-GJZGRUSLSA-N 1 3 367.494 -0.676 20 0 FBADHO NC[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000419352596 484745555 /nfs/dbraw/zinc/74/55/55/484745555.db2.gz ZTOWGXNQOUXLKL-HUUCEWRRSA-N 1 3 367.494 -0.676 20 0 FBADHO NC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000419352596 484745549 /nfs/dbraw/zinc/74/55/49/484745549.db2.gz ZTOWGXNQOUXLKL-HUUCEWRRSA-N 1 3 367.494 -0.676 20 0 FBADHO NC[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000419352599 484745268 /nfs/dbraw/zinc/74/52/68/484745268.db2.gz ZTOWGXNQOUXLKL-LSDHHAIUSA-N 1 3 367.494 -0.676 20 0 FBADHO NC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000419352599 484745264 /nfs/dbraw/zinc/74/52/64/484745264.db2.gz ZTOWGXNQOUXLKL-LSDHHAIUSA-N 1 3 367.494 -0.676 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC000419353647 484746514 /nfs/dbraw/zinc/74/65/14/484746514.db2.gz JYZYCLWYDRQDOD-INIZCTEOSA-N 1 3 374.489 -0.470 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC000419353651 484746599 /nfs/dbraw/zinc/74/65/99/484746599.db2.gz JYZYCLWYDRQDOD-MRXNPFEDSA-N 1 3 374.489 -0.470 20 0 FBADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000419354055 484745234 /nfs/dbraw/zinc/74/52/34/484745234.db2.gz KILQGZWSYOVGLV-INIZCTEOSA-N 1 3 374.489 -0.340 20 0 FBADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000419354056 484745428 /nfs/dbraw/zinc/74/54/28/484745428.db2.gz KILQGZWSYOVGLV-MRXNPFEDSA-N 1 3 374.489 -0.340 20 0 FBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419354974 484746011 /nfs/dbraw/zinc/74/60/11/484746011.db2.gz LPUUGIXSDOGPNM-INIZCTEOSA-N 1 3 374.489 -0.422 20 0 FBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419354975 484746693 /nfs/dbraw/zinc/74/66/93/484746693.db2.gz LPUUGIXSDOGPNM-MRXNPFEDSA-N 1 3 374.489 -0.422 20 0 FBADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCNCC1 ZINC000419355704 484745739 /nfs/dbraw/zinc/74/57/39/484745739.db2.gz MJIDWQNTENSURR-UHFFFAOYSA-N 1 3 360.462 -0.858 20 0 FBADHO CC[NH2+]CCNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000419355901 484745771 /nfs/dbraw/zinc/74/57/71/484745771.db2.gz MNYAKWYPCUXXJN-UHFFFAOYSA-N 1 3 362.478 -0.564 20 0 FBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419357300 484745935 /nfs/dbraw/zinc/74/59/35/484745935.db2.gz NZUWAYHPEVFAMA-INIZCTEOSA-N 1 3 374.489 -0.422 20 0 FBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419357302 484746722 /nfs/dbraw/zinc/74/67/22/484746722.db2.gz NZUWAYHPEVFAMA-MRXNPFEDSA-N 1 3 374.489 -0.422 20 0 FBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000419359326 484747621 /nfs/dbraw/zinc/74/76/21/484747621.db2.gz QIHLQYRKNGQVSX-HNNXBMFYSA-N 1 3 362.478 -0.579 20 0 FBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000419359328 484747345 /nfs/dbraw/zinc/74/73/45/484747345.db2.gz QIHLQYRKNGQVSX-OAHLLOKOSA-N 1 3 362.478 -0.579 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419362232 484747660 /nfs/dbraw/zinc/74/76/60/484747660.db2.gz BLYILWFXYDIQAM-KRWDZBQOSA-N 1 3 374.485 -0.222 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419362234 484747986 /nfs/dbraw/zinc/74/79/86/484747986.db2.gz BLYILWFXYDIQAM-QGZVFWFLSA-N 1 3 374.485 -0.222 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000419364219 484747894 /nfs/dbraw/zinc/74/78/94/484747894.db2.gz DSUKPFSXOKVYJW-KRWDZBQOSA-N 1 3 374.485 -0.304 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)Cc2ccccc2C1 ZINC000419364222 484747577 /nfs/dbraw/zinc/74/75/77/484747577.db2.gz DSUKPFSXOKVYJW-QGZVFWFLSA-N 1 3 374.485 -0.304 20 0 FBADHO [NH3+][C@@H](CNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000419365400 484748042 /nfs/dbraw/zinc/74/80/42/484748042.db2.gz XKLOSVZLOCUAQV-KRWDZBQOSA-N 1 3 374.489 -0.437 20 0 FBADHO [NH3+][C@H](CNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000419365410 484748460 /nfs/dbraw/zinc/74/84/60/484748460.db2.gz XKLOSVZLOCUAQV-QGZVFWFLSA-N 1 3 374.489 -0.437 20 0 FBADHO COCC[NH2+]CCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419369948 484747734 /nfs/dbraw/zinc/74/77/34/484747734.db2.gz GOGDNBZDRZHOFS-UHFFFAOYSA-N 1 3 362.474 -0.446 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419372446 484747720 /nfs/dbraw/zinc/74/77/20/484747720.db2.gz KWYGHQAJIKULLA-INIZCTEOSA-N 1 3 360.458 -0.612 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000419372447 484748093 /nfs/dbraw/zinc/74/80/93/484748093.db2.gz KWYGHQAJIKULLA-MRXNPFEDSA-N 1 3 360.458 -0.612 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419380067 484751013 /nfs/dbraw/zinc/75/10/13/484751013.db2.gz WZKCSAHVAKBXAC-UHFFFAOYSA-N 1 3 373.501 -0.777 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000419380469 484750854 /nfs/dbraw/zinc/75/08/54/484750854.db2.gz XRKPBNDQXKXOCA-CVEARBPZSA-N 1 3 354.495 -0.036 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000419380471 484751442 /nfs/dbraw/zinc/75/14/42/484751442.db2.gz XRKPBNDQXKXOCA-HOTGVXAUSA-N 1 3 354.495 -0.036 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000419380473 484750947 /nfs/dbraw/zinc/75/09/47/484750947.db2.gz XRKPBNDQXKXOCA-HZPDHXFCSA-N 1 3 354.495 -0.036 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000419380475 484751352 /nfs/dbraw/zinc/75/13/52/484751352.db2.gz XRKPBNDQXKXOCA-JKSUJKDBSA-N 1 3 354.495 -0.036 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419380491 484751175 /nfs/dbraw/zinc/75/11/75/484751175.db2.gz XSLWTIXUORRHPC-KRWDZBQOSA-N 1 3 367.538 -0.120 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419380492 484751075 /nfs/dbraw/zinc/75/10/75/484751075.db2.gz XSLWTIXUORRHPC-QGZVFWFLSA-N 1 3 367.538 -0.120 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000419382288 484751390 /nfs/dbraw/zinc/75/13/90/484751390.db2.gz YRCKDVVLXNSZHE-CALCHBBNSA-N 1 3 356.470 -0.120 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419401034 484750018 /nfs/dbraw/zinc/75/00/18/484750018.db2.gz AGLDAKJMZJCWKB-HNNXBMFYSA-N 1 3 367.494 -0.852 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000419401035 484749749 /nfs/dbraw/zinc/74/97/49/484749749.db2.gz AGLDAKJMZJCWKB-OAHLLOKOSA-N 1 3 367.494 -0.852 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402642 484750126 /nfs/dbraw/zinc/75/01/26/484750126.db2.gz CQXRUJRRJWJUKY-CABCVRRESA-N 1 3 367.494 -0.852 20 0 FBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402643 484749905 /nfs/dbraw/zinc/74/99/05/484749905.db2.gz CQXRUJRRJWJUKY-GJZGRUSLSA-N 1 3 367.494 -0.852 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402644 484749800 /nfs/dbraw/zinc/74/98/00/484749800.db2.gz CQXRUJRRJWJUKY-HUUCEWRRSA-N 1 3 367.494 -0.852 20 0 FBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000419402645 484749931 /nfs/dbraw/zinc/74/99/31/484749931.db2.gz CQXRUJRRJWJUKY-LSDHHAIUSA-N 1 3 367.494 -0.852 20 0 FBADHO C[C@H](NC(=O)C(=O)N(CCN)CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403517 484749472 /nfs/dbraw/zinc/74/94/72/484749472.db2.gz RQPNHNHJZQMZMX-DOTOQJQBSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@H](NC(=O)C(=O)N(CCN)CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403517 484749467 /nfs/dbraw/zinc/74/94/67/484749467.db2.gz RQPNHNHJZQMZMX-DOTOQJQBSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@@H](NC(=O)C(=O)N(CCN)CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403518 484749288 /nfs/dbraw/zinc/74/92/88/484749288.db2.gz RQPNHNHJZQMZMX-NVXWUHKLSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@@H](NC(=O)C(=O)N(CCN)CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403518 484749281 /nfs/dbraw/zinc/74/92/81/484749281.db2.gz RQPNHNHJZQMZMX-NVXWUHKLSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@H](NC(=O)C(=O)N(CCN)CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403519 484749495 /nfs/dbraw/zinc/74/94/95/484749495.db2.gz RQPNHNHJZQMZMX-RDJZCZTQSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@H](NC(=O)C(=O)N(CCN)CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403519 484749488 /nfs/dbraw/zinc/74/94/88/484749488.db2.gz RQPNHNHJZQMZMX-RDJZCZTQSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@@H](NC(=O)C(=O)N(CCN)CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419403520 484750068 /nfs/dbraw/zinc/75/00/68/484750068.db2.gz RQPNHNHJZQMZMX-WBVHZDCISA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@@H](NC(=O)C(=O)N(CCN)CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000419403520 484750064 /nfs/dbraw/zinc/75/00/64/484750064.db2.gz RQPNHNHJZQMZMX-WBVHZDCISA-N 1 3 362.474 -0.207 20 0 FBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000419411954 484751115 /nfs/dbraw/zinc/75/11/15/484751115.db2.gz CEGHXBPXCVDLAC-KRWDZBQOSA-N 1 3 360.458 -0.263 20 0 FBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000419411958 484750819 /nfs/dbraw/zinc/75/08/19/484750819.db2.gz CEGHXBPXCVDLAC-QGZVFWFLSA-N 1 3 360.458 -0.263 20 0 FBADHO [NH3+]CCCNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419411992 484751822 /nfs/dbraw/zinc/75/18/22/484751822.db2.gz CKTMLUGAYBACBW-UHFFFAOYSA-N 1 3 361.490 -0.225 20 0 FBADHO CN1CCN(CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413869 484751042 /nfs/dbraw/zinc/75/10/42/484751042.db2.gz GBQFZDARGVRIFN-MSOLQXFVSA-N 1 3 373.501 -0.041 20 0 FBADHO CN1CCN(CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413871 484751639 /nfs/dbraw/zinc/75/16/39/484751639.db2.gz GBQFZDARGVRIFN-QZTJIDSGSA-N 1 3 373.501 -0.041 20 0 FBADHO CN1CCN(CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419413872 484751858 /nfs/dbraw/zinc/75/18/58/484751858.db2.gz GBQFZDARGVRIFN-ROUUACIJSA-N 1 3 373.501 -0.041 20 0 FBADHO CN1CCN(CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419413873 484751423 /nfs/dbraw/zinc/75/14/23/484751423.db2.gz GBQFZDARGVRIFN-ZWKOTPCHSA-N 1 3 373.501 -0.041 20 0 FBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419414317 484751559 /nfs/dbraw/zinc/75/15/59/484751559.db2.gz GROASRXQLXUKLT-INIZCTEOSA-N 1 3 361.490 -0.226 20 0 FBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419414319 484751729 /nfs/dbraw/zinc/75/17/29/484751729.db2.gz GROASRXQLXUKLT-MRXNPFEDSA-N 1 3 361.490 -0.226 20 0 FBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419416342 484751485 /nfs/dbraw/zinc/75/14/85/484751485.db2.gz IZXLYWFRQIJDFS-GOSISDBHSA-N 1 3 373.501 -0.130 20 0 FBADHO [NH3+][C@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000419416344 484751257 /nfs/dbraw/zinc/75/12/57/484751257.db2.gz IZXLYWFRQIJDFS-SFHVURJKSA-N 1 3 373.501 -0.130 20 0 FBADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419418552 484751653 /nfs/dbraw/zinc/75/16/53/484751653.db2.gz LHNNAJYOVNMVDT-GOSISDBHSA-N 1 3 373.501 -0.211 20 0 FBADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419418553 484751684 /nfs/dbraw/zinc/75/16/84/484751684.db2.gz LHNNAJYOVNMVDT-SFHVURJKSA-N 1 3 373.501 -0.211 20 0 FBADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419418600 484750879 /nfs/dbraw/zinc/75/08/79/484750879.db2.gz ILSHLWLHJUUROD-UHFFFAOYSA-N 1 3 373.501 -0.428 20 0 FBADHO C[NH2+]CCNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419421321 484752689 /nfs/dbraw/zinc/75/26/89/484752689.db2.gz OUOJGOGFJQXUBZ-KRWDZBQOSA-N 1 3 361.490 -0.183 20 0 FBADHO C[NH2+]CCNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419421324 484753307 /nfs/dbraw/zinc/75/33/07/484753307.db2.gz OUOJGOGFJQXUBZ-QGZVFWFLSA-N 1 3 361.490 -0.183 20 0 FBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419423873 484753876 /nfs/dbraw/zinc/75/38/76/484753876.db2.gz SJSMFKBWLFJQKD-DOTOQJQBSA-N 1 3 361.490 -0.055 20 0 FBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419423876 484753685 /nfs/dbraw/zinc/75/36/85/484753685.db2.gz SJSMFKBWLFJQKD-NVXWUHKLSA-N 1 3 361.490 -0.055 20 0 FBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419423879 484753279 /nfs/dbraw/zinc/75/32/79/484753279.db2.gz SJSMFKBWLFJQKD-RDJZCZTQSA-N 1 3 361.490 -0.055 20 0 FBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419423882 484753400 /nfs/dbraw/zinc/75/34/00/484753400.db2.gz SJSMFKBWLFJQKD-WBVHZDCISA-N 1 3 361.490 -0.055 20 0 FBADHO C[NH2+]CCNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419424051 484752924 /nfs/dbraw/zinc/75/29/24/484752924.db2.gz SPTAHVNHVLTELJ-UHFFFAOYSA-N 1 3 361.490 -0.354 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419424870 484753644 /nfs/dbraw/zinc/75/36/44/484753644.db2.gz OXTNDBOEODWPRW-CABCVRRESA-N 1 3 367.494 -0.710 20 0 FBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419424871 484753487 /nfs/dbraw/zinc/75/34/87/484753487.db2.gz OXTNDBOEODWPRW-GJZGRUSLSA-N 1 3 367.494 -0.710 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419424872 484753357 /nfs/dbraw/zinc/75/33/57/484753357.db2.gz OXTNDBOEODWPRW-HUUCEWRRSA-N 1 3 367.494 -0.710 20 0 FBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419424873 484753993 /nfs/dbraw/zinc/75/39/93/484753993.db2.gz OXTNDBOEODWPRW-LSDHHAIUSA-N 1 3 367.494 -0.710 20 0 FBADHO CN(CC[NH3+])C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000419425098 484753728 /nfs/dbraw/zinc/75/37/28/484753728.db2.gz UVOVMLRGRMMMQW-KRWDZBQOSA-N 1 3 361.490 -0.102 20 0 FBADHO CN(CC[NH3+])C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425099 484753064 /nfs/dbraw/zinc/75/30/64/484753064.db2.gz UVOVMLRGRMMMQW-QGZVFWFLSA-N 1 3 361.490 -0.102 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419425374 484753111 /nfs/dbraw/zinc/75/31/11/484753111.db2.gz POVLMUCJQVRBJU-GOSISDBHSA-N 1 3 373.501 -0.039 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419425375 484752648 /nfs/dbraw/zinc/75/26/48/484752648.db2.gz POVLMUCJQVRBJU-SFHVURJKSA-N 1 3 373.501 -0.039 20 0 FBADHO CN1CCN(CCCNC(=O)C(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419426881 484753837 /nfs/dbraw/zinc/75/38/37/484753837.db2.gz YFQLJXWVCMUPQQ-KRWDZBQOSA-N 1 3 361.490 -0.054 20 0 FBADHO CN1CCN(CCCNC(=O)C(=O)NCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419426884 484753176 /nfs/dbraw/zinc/75/31/76/484753176.db2.gz YFQLJXWVCMUPQQ-QGZVFWFLSA-N 1 3 361.490 -0.054 20 0 FBADHO CN(CC[NH3+])C(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419427531 484752475 /nfs/dbraw/zinc/75/24/75/484752475.db2.gz ZDKDVZYMKSUVIC-UHFFFAOYSA-N 1 3 361.490 -0.272 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419475078 484760101 /nfs/dbraw/zinc/76/01/01/484760101.db2.gz CZUPHMKJRHAIIE-BZUAXINKSA-N 1 3 354.495 -0.035 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419475080 484759311 /nfs/dbraw/zinc/75/93/11/484759311.db2.gz CZUPHMKJRHAIIE-OAGGEKHMSA-N 1 3 354.495 -0.035 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419475081 484760381 /nfs/dbraw/zinc/76/03/81/484760381.db2.gz CZUPHMKJRHAIIE-OWCLPIDISA-N 1 3 354.495 -0.035 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419475081 484760377 /nfs/dbraw/zinc/76/03/77/484760377.db2.gz CZUPHMKJRHAIIE-OWCLPIDISA-N 1 3 354.495 -0.035 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419475083 484760195 /nfs/dbraw/zinc/76/01/95/484760195.db2.gz CZUPHMKJRHAIIE-XHSDSOJGSA-N 1 3 354.495 -0.035 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419475083 484760190 /nfs/dbraw/zinc/76/01/90/484760190.db2.gz CZUPHMKJRHAIIE-XHSDSOJGSA-N 1 3 354.495 -0.035 20 0 FBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419508874 484758671 /nfs/dbraw/zinc/75/86/71/484758671.db2.gz DKIPNHFETKWFOI-CABCVRRESA-N 1 3 369.510 -0.465 20 0 FBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419508879 484757789 /nfs/dbraw/zinc/75/77/89/484757789.db2.gz DKIPNHFETKWFOI-GJZGRUSLSA-N 1 3 369.510 -0.465 20 0 FBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419508885 484758380 /nfs/dbraw/zinc/75/83/80/484758380.db2.gz DKIPNHFETKWFOI-HUUCEWRRSA-N 1 3 369.510 -0.465 20 0 FBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419508889 484757642 /nfs/dbraw/zinc/75/76/42/484757642.db2.gz DKIPNHFETKWFOI-LSDHHAIUSA-N 1 3 369.510 -0.465 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419522190 484759726 /nfs/dbraw/zinc/75/97/26/484759726.db2.gz LYWXFCSDSUOOOW-CABCVRRESA-N 1 3 367.494 -0.615 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419522192 484760027 /nfs/dbraw/zinc/76/00/27/484760027.db2.gz LYWXFCSDSUOOOW-HUUCEWRRSA-N 1 3 367.494 -0.615 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419523005 484760340 /nfs/dbraw/zinc/76/03/40/484760340.db2.gz NQALNZWKLGBPHE-CABCVRRESA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419523006 484759535 /nfs/dbraw/zinc/75/95/35/484759535.db2.gz NQALNZWKLGBPHE-GJZGRUSLSA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419523007 484759216 /nfs/dbraw/zinc/75/92/16/484759216.db2.gz NQALNZWKLGBPHE-HUUCEWRRSA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419523008 484759820 /nfs/dbraw/zinc/75/98/20/484759820.db2.gz NQALNZWKLGBPHE-LSDHHAIUSA-N 1 3 367.494 -0.696 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419523071 484759998 /nfs/dbraw/zinc/75/99/98/484759998.db2.gz OAFCKIJLGHNWEP-HNNXBMFYSA-N 1 3 367.494 -0.567 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000419523072 484759675 /nfs/dbraw/zinc/75/96/75/484759675.db2.gz OAFCKIJLGHNWEP-OAHLLOKOSA-N 1 3 367.494 -0.567 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419523569 484759295 /nfs/dbraw/zinc/75/92/95/484759295.db2.gz OLZIAJJMEIVWGY-CABCVRRESA-N 1 3 367.494 -0.744 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419523570 484759694 /nfs/dbraw/zinc/75/96/94/484759694.db2.gz OLZIAJJMEIVWGY-GJZGRUSLSA-N 1 3 367.494 -0.744 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419523571 484760250 /nfs/dbraw/zinc/76/02/50/484760250.db2.gz OLZIAJJMEIVWGY-HUUCEWRRSA-N 1 3 367.494 -0.744 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419523572 484760289 /nfs/dbraw/zinc/76/02/89/484760289.db2.gz OLZIAJJMEIVWGY-LSDHHAIUSA-N 1 3 367.494 -0.744 20 0 FBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419525202 484762922 /nfs/dbraw/zinc/76/29/22/484762922.db2.gz RAHSUGRKEJRMEY-AWEZNQCLSA-N 1 3 369.510 -0.321 20 0 FBADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419525203 484763004 /nfs/dbraw/zinc/76/30/04/484763004.db2.gz RAHSUGRKEJRMEY-CQSZACIVSA-N 1 3 369.510 -0.321 20 0 FBADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419525470 484763292 /nfs/dbraw/zinc/76/32/92/484763292.db2.gz DIZKBKSFTXAMBQ-DJIMGWMZSA-N 1 3 360.458 -0.272 20 0 FBADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419525471 484763742 /nfs/dbraw/zinc/76/37/42/484763742.db2.gz DIZKBKSFTXAMBQ-HYVNUMGLSA-N 1 3 360.458 -0.272 20 0 FBADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419525472 484763437 /nfs/dbraw/zinc/76/34/37/484763437.db2.gz DIZKBKSFTXAMBQ-OIISXLGYSA-N 1 3 360.458 -0.272 20 0 FBADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419525473 484762647 /nfs/dbraw/zinc/76/26/47/484762647.db2.gz DIZKBKSFTXAMBQ-PVAVHDDUSA-N 1 3 360.458 -0.272 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419528082 484762861 /nfs/dbraw/zinc/76/28/61/484762861.db2.gz WAMLAGLXIRSUEQ-ILXRZTDVSA-N 1 3 367.494 -0.841 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000419528083 484763692 /nfs/dbraw/zinc/76/36/92/484763692.db2.gz WAMLAGLXIRSUEQ-KFWWJZLASA-N 1 3 367.494 -0.841 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419528084 484763100 /nfs/dbraw/zinc/76/31/00/484763100.db2.gz WAMLAGLXIRSUEQ-QLFBSQMISA-N 1 3 367.494 -0.841 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000419528085 484763509 /nfs/dbraw/zinc/76/35/09/484763509.db2.gz WAMLAGLXIRSUEQ-RBSFLKMASA-N 1 3 367.494 -0.841 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419551825 484765983 /nfs/dbraw/zinc/76/59/83/484765983.db2.gz XXISWVSZJAJTAX-BFHYXJOUSA-N 1 3 356.467 -0.557 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419551828 484766624 /nfs/dbraw/zinc/76/66/24/484766624.db2.gz XXISWVSZJAJTAX-MCIONIFRSA-N 1 3 356.467 -0.557 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419551831 484766379 /nfs/dbraw/zinc/76/63/79/484766379.db2.gz XXISWVSZJAJTAX-MGPQQGTHSA-N 1 3 356.467 -0.557 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419551834 484766200 /nfs/dbraw/zinc/76/62/00/484766200.db2.gz XXISWVSZJAJTAX-MJBXVCDLSA-N 1 3 356.467 -0.557 20 0 FBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419576285 484767693 /nfs/dbraw/zinc/76/76/93/484767693.db2.gz BWCHYPVWYVPXID-CABCVRRESA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419576286 484767675 /nfs/dbraw/zinc/76/76/75/484767675.db2.gz BWCHYPVWYVPXID-GJZGRUSLSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419576287 484767171 /nfs/dbraw/zinc/76/71/71/484767171.db2.gz BWCHYPVWYVPXID-HUUCEWRRSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419576288 484767781 /nfs/dbraw/zinc/76/77/81/484767781.db2.gz BWCHYPVWYVPXID-LSDHHAIUSA-N 1 3 367.494 -0.710 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N(C)C1CC1 ZINC000419576887 484764202 /nfs/dbraw/zinc/76/42/02/484764202.db2.gz CPJPQMAMGGONHI-DZGCQCFKSA-N 1 3 367.494 -0.569 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N(C)C1CC1 ZINC000419576889 484765086 /nfs/dbraw/zinc/76/50/86/484765086.db2.gz CPJPQMAMGGONHI-HIFRSBDPSA-N 1 3 367.494 -0.569 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N(C)C1CC1 ZINC000419576890 484764717 /nfs/dbraw/zinc/76/47/17/484764717.db2.gz CPJPQMAMGGONHI-UKRRQHHQSA-N 1 3 367.494 -0.569 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N(C)C1CC1 ZINC000419576892 484765228 /nfs/dbraw/zinc/76/52/28/484765228.db2.gz CPJPQMAMGGONHI-ZFWWWQNUSA-N 1 3 367.494 -0.569 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000419589003 484769477 /nfs/dbraw/zinc/76/94/77/484769477.db2.gz RRLOLSPHBFWILF-HWWQOWPSSA-N 1 3 358.508 -0.231 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419589004 484768798 /nfs/dbraw/zinc/76/87/98/484768798.db2.gz RRLOLSPHBFWILF-MKBNYLNASA-N 1 3 358.508 -0.231 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000419589005 484769408 /nfs/dbraw/zinc/76/94/08/484769408.db2.gz RRLOLSPHBFWILF-MQIPJXDCSA-N 1 3 358.508 -0.231 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419589006 484769601 /nfs/dbraw/zinc/76/96/01/484769601.db2.gz RRLOLSPHBFWILF-OZVIIMIRSA-N 1 3 358.508 -0.231 20 0 FBADHO CN(C)CCOc1ccc(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000419653121 484772451 /nfs/dbraw/zinc/77/24/51/484772451.db2.gz FHCABWCYXYQUEN-CALCHBBNSA-N 1 3 374.485 -0.037 20 0 FBADHO [NH3+]CCN(CCO)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419674216 484773130 /nfs/dbraw/zinc/77/31/30/484773130.db2.gz JYFITHWFQRKHMW-UHFFFAOYSA-N 1 3 354.495 -0.072 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419684506 484772861 /nfs/dbraw/zinc/77/28/61/484772861.db2.gz MBPGIMUPSAKRPM-CABCVRRESA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419684508 484773728 /nfs/dbraw/zinc/77/37/28/484773728.db2.gz MBPGIMUPSAKRPM-GJZGRUSLSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419684510 484773949 /nfs/dbraw/zinc/77/39/49/484773949.db2.gz MBPGIMUPSAKRPM-HUUCEWRRSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000419684512 484772874 /nfs/dbraw/zinc/77/28/74/484772874.db2.gz MBPGIMUPSAKRPM-LSDHHAIUSA-N 1 3 352.479 -0.138 20 0 FBADHO [NH3+]CCNC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000419687668 484774913 /nfs/dbraw/zinc/77/49/13/484774913.db2.gz FDEWOODCQPPWIR-UHFFFAOYSA-N 1 3 361.490 -0.225 20 0 FBADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419688468 484774389 /nfs/dbraw/zinc/77/43/89/484774389.db2.gz ATYOLOWFWFXXTC-INIZCTEOSA-N 1 3 353.511 -0.366 20 0 FBADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419688469 484775049 /nfs/dbraw/zinc/77/50/49/484775049.db2.gz ATYOLOWFWFXXTC-MRXNPFEDSA-N 1 3 353.511 -0.366 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419720491 484777708 /nfs/dbraw/zinc/77/77/08/484777708.db2.gz FKZFRJWTHDZCEH-AWEZNQCLSA-N 1 3 355.483 -0.710 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419720492 484778370 /nfs/dbraw/zinc/77/83/70/484778370.db2.gz FKZFRJWTHDZCEH-CQSZACIVSA-N 1 3 355.483 -0.710 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419740394 484779539 /nfs/dbraw/zinc/77/95/39/484779539.db2.gz XULIXYNUYAPQLQ-GFCCVEGCSA-N 1 3 367.416 -0.603 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000419740396 484779755 /nfs/dbraw/zinc/77/97/55/484779755.db2.gz XULIXYNUYAPQLQ-LBPRGKRZSA-N 1 3 367.416 -0.603 20 0 FBADHO [NH3+]C1(CNC(=O)C(=O)NCC2CCN(CCO)CC2)CCCCCC1 ZINC000419762960 484782047 /nfs/dbraw/zinc/78/20/47/484782047.db2.gz OTORZBLXIRITPZ-UHFFFAOYSA-N 1 3 354.495 -0.025 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419767563 484782578 /nfs/dbraw/zinc/78/25/78/484782578.db2.gz BXYATHUYLOUZFG-GOEBONIOSA-N 1 3 366.437 -0.227 20 0 FBADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC1CCN(CCO)CC1 ZINC000419768746 484782301 /nfs/dbraw/zinc/78/23/01/484782301.db2.gz SSQBSZUMDAIULV-HNNXBMFYSA-N 1 3 354.495 -0.299 20 0 FBADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC1CCN(CCO)CC1 ZINC000419768748 484782885 /nfs/dbraw/zinc/78/28/85/484782885.db2.gz SSQBSZUMDAIULV-OAHLLOKOSA-N 1 3 354.495 -0.299 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000419773007 484782536 /nfs/dbraw/zinc/78/25/36/484782536.db2.gz IGROQHLLIVGLBM-UHFFFAOYSA-N 1 3 366.506 -0.049 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419775045 484783907 /nfs/dbraw/zinc/78/39/07/484783907.db2.gz KLQORJGBHRLRFU-JKSUJKDBSA-N 1 3 366.437 -0.227 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419802820 484785503 /nfs/dbraw/zinc/78/55/03/484785503.db2.gz AWUFGMMUUBVKBV-BRWVUGGUSA-N 1 3 367.538 -0.038 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419802823 484785027 /nfs/dbraw/zinc/78/50/27/484785027.db2.gz AWUFGMMUUBVKBV-IKGGRYGDSA-N 1 3 367.538 -0.038 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419802824 484785053 /nfs/dbraw/zinc/78/50/53/484785053.db2.gz AWUFGMMUUBVKBV-IXDOHACOSA-N 1 3 367.538 -0.038 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419802825 484786021 /nfs/dbraw/zinc/78/60/21/484786021.db2.gz AWUFGMMUUBVKBV-ZACQAIPSSA-N 1 3 367.538 -0.038 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000419805081 484786054 /nfs/dbraw/zinc/78/60/54/484786054.db2.gz BWWJRYWGJFVEIE-CVEARBPZSA-N 1 3 367.538 -0.120 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000419805083 484785891 /nfs/dbraw/zinc/78/58/91/484785891.db2.gz BWWJRYWGJFVEIE-HOTGVXAUSA-N 1 3 367.538 -0.120 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000419805086 484786170 /nfs/dbraw/zinc/78/61/70/484786170.db2.gz BWWJRYWGJFVEIE-HZPDHXFCSA-N 1 3 367.538 -0.120 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000419805090 484785696 /nfs/dbraw/zinc/78/56/96/484785696.db2.gz BWWJRYWGJFVEIE-JKSUJKDBSA-N 1 3 367.538 -0.120 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419811272 484787043 /nfs/dbraw/zinc/78/70/43/484787043.db2.gz FZONKZPUFNCKKH-BRWVUGGUSA-N 1 3 367.538 -0.038 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000419811273 484786580 /nfs/dbraw/zinc/78/65/80/484786580.db2.gz FZONKZPUFNCKKH-IKGGRYGDSA-N 1 3 367.538 -0.038 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000419811274 484787103 /nfs/dbraw/zinc/78/71/03/484787103.db2.gz FZONKZPUFNCKKH-IXDOHACOSA-N 1 3 367.538 -0.038 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000419811275 484786685 /nfs/dbraw/zinc/78/66/85/484786685.db2.gz FZONKZPUFNCKKH-ZACQAIPSSA-N 1 3 367.538 -0.038 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000419815808 484787591 /nfs/dbraw/zinc/78/75/91/484787591.db2.gz IAEDITFBFAQKDE-BZUAXINKSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000419815811 484787342 /nfs/dbraw/zinc/78/73/42/484787342.db2.gz IAEDITFBFAQKDE-OAGGEKHMSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000419815813 484787160 /nfs/dbraw/zinc/78/71/60/484787160.db2.gz IAEDITFBFAQKDE-OWCLPIDISA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000419815815 484787714 /nfs/dbraw/zinc/78/77/14/484787714.db2.gz IAEDITFBFAQKDE-PMPSAXMXSA-N 1 3 353.511 -0.428 20 0 FBADHO CN(C(=O)C(=O)NCCN)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419818776 484786845 /nfs/dbraw/zinc/78/68/45/484786845.db2.gz OXPOKSWJWKICRY-CVEARBPZSA-N 1 3 353.511 -0.143 20 0 FBADHO CN(C(=O)C(=O)NCCN)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419818776 484786840 /nfs/dbraw/zinc/78/68/40/484786840.db2.gz OXPOKSWJWKICRY-CVEARBPZSA-N 1 3 353.511 -0.143 20 0 FBADHO CN(C(=O)C(=O)NCCN)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419818779 484786757 /nfs/dbraw/zinc/78/67/57/484786757.db2.gz OXPOKSWJWKICRY-HOTGVXAUSA-N 1 3 353.511 -0.143 20 0 FBADHO CN(C(=O)C(=O)NCCN)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419818779 484786753 /nfs/dbraw/zinc/78/67/53/484786753.db2.gz OXPOKSWJWKICRY-HOTGVXAUSA-N 1 3 353.511 -0.143 20 0 FBADHO CN(C(=O)C(=O)NCCN)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419818783 484787561 /nfs/dbraw/zinc/78/75/61/484787561.db2.gz OXPOKSWJWKICRY-HZPDHXFCSA-N 1 3 353.511 -0.143 20 0 FBADHO CN(C(=O)C(=O)NCCN)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419818783 484787553 /nfs/dbraw/zinc/78/75/53/484787553.db2.gz OXPOKSWJWKICRY-HZPDHXFCSA-N 1 3 353.511 -0.143 20 0 FBADHO CN(C(=O)C(=O)NCCN)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419818786 484787256 /nfs/dbraw/zinc/78/72/56/484787256.db2.gz OXPOKSWJWKICRY-JKSUJKDBSA-N 1 3 353.511 -0.143 20 0 FBADHO CN(C(=O)C(=O)NCCN)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000419818786 484787250 /nfs/dbraw/zinc/78/72/50/484787250.db2.gz OXPOKSWJWKICRY-JKSUJKDBSA-N 1 3 353.511 -0.143 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419821877 484787482 /nfs/dbraw/zinc/78/74/82/484787482.db2.gz LFTGTECXDPRMGY-CVEARBPZSA-N 1 3 353.511 -0.284 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419821882 484787953 /nfs/dbraw/zinc/78/79/53/484787953.db2.gz LFTGTECXDPRMGY-HOTGVXAUSA-N 1 3 353.511 -0.284 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419821884 484787643 /nfs/dbraw/zinc/78/76/43/484787643.db2.gz LFTGTECXDPRMGY-HZPDHXFCSA-N 1 3 353.511 -0.284 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419821886 484786914 /nfs/dbraw/zinc/78/69/14/484786914.db2.gz LFTGTECXDPRMGY-JKSUJKDBSA-N 1 3 353.511 -0.284 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000419824885 484787859 /nfs/dbraw/zinc/78/78/59/484787859.db2.gz MSEOTYSIIRLQHO-DLBZAZTESA-N 1 3 367.538 -0.023 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000419824888 484787901 /nfs/dbraw/zinc/78/79/01/484787901.db2.gz MSEOTYSIIRLQHO-IAGOWNOFSA-N 1 3 367.538 -0.023 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000419824890 484787976 /nfs/dbraw/zinc/78/79/76/484787976.db2.gz MSEOTYSIIRLQHO-IRXDYDNUSA-N 1 3 367.538 -0.023 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000419824892 484786706 /nfs/dbraw/zinc/78/67/06/484786706.db2.gz MSEOTYSIIRLQHO-SJORKVTESA-N 1 3 367.538 -0.023 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000419825385 484789126 /nfs/dbraw/zinc/78/91/26/484789126.db2.gz NEPIXRRKOHQEDL-CVEARBPZSA-N 1 3 353.511 -0.413 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000419825389 484788579 /nfs/dbraw/zinc/78/85/79/484788579.db2.gz NEPIXRRKOHQEDL-HOTGVXAUSA-N 1 3 353.511 -0.413 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000419825391 484788608 /nfs/dbraw/zinc/78/86/08/484788608.db2.gz NEPIXRRKOHQEDL-HZPDHXFCSA-N 1 3 353.511 -0.413 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000419825393 484788775 /nfs/dbraw/zinc/78/87/75/484788775.db2.gz NEPIXRRKOHQEDL-JKSUJKDBSA-N 1 3 353.511 -0.413 20 0 FBADHO CN(CCN1CCN(C(=O)C(=O)NCCC[NH3+])CC1)Cc1ccccc1 ZINC000419827828 484788632 /nfs/dbraw/zinc/78/86/32/484788632.db2.gz CAPMZXHKXVYAIB-UHFFFAOYSA-N 1 3 361.490 -0.272 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCNC(C)(C)C2)CC1 ZINC000419828109 484789262 /nfs/dbraw/zinc/78/92/62/484789262.db2.gz OTKJTJFVUNUUAT-HNNXBMFYSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCNC(C)(C)C2)CC1 ZINC000419828111 484788522 /nfs/dbraw/zinc/78/85/22/484788522.db2.gz OTKJTJFVUNUUAT-OAHLLOKOSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)N[C@H](C)C2)CC1 ZINC000419834028 484789235 /nfs/dbraw/zinc/78/92/35/484789235.db2.gz SVQYSEUQQBAWNC-BZUAXINKSA-N 1 3 353.511 -0.415 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC000419834030 484788746 /nfs/dbraw/zinc/78/87/46/484788746.db2.gz SVQYSEUQQBAWNC-HRCADAONSA-N 1 3 353.511 -0.415 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC000419834032 484789044 /nfs/dbraw/zinc/78/90/44/484789044.db2.gz SVQYSEUQQBAWNC-OAGGEKHMSA-N 1 3 353.511 -0.415 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H](C)N[C@@H](C)C2)CC1 ZINC000419834033 484789003 /nfs/dbraw/zinc/78/90/03/484789003.db2.gz SVQYSEUQQBAWNC-PMPSAXMXSA-N 1 3 353.511 -0.415 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000419838643 484790554 /nfs/dbraw/zinc/79/05/54/484790554.db2.gz XYHVAMCFXPXHGH-YESZJQIVSA-N 1 3 365.522 -0.271 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000419838644 484790063 /nfs/dbraw/zinc/79/00/63/484790063.db2.gz XYHVAMCFXPXHGH-ZACQAIPSSA-N 1 3 365.522 -0.271 20 0 FBADHO CCCN(C(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000419838653 484790249 /nfs/dbraw/zinc/79/02/49/484790249.db2.gz XZLZBYIZVRGBIF-DLBZAZTESA-N 1 3 367.538 -0.023 20 0 FBADHO CCCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000419838654 484790834 /nfs/dbraw/zinc/79/08/34/484790834.db2.gz XZLZBYIZVRGBIF-IAGOWNOFSA-N 1 3 367.538 -0.023 20 0 FBADHO CCCN(C(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000419838655 484790358 /nfs/dbraw/zinc/79/03/58/484790358.db2.gz XZLZBYIZVRGBIF-IRXDYDNUSA-N 1 3 367.538 -0.023 20 0 FBADHO CCCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000419838656 484790667 /nfs/dbraw/zinc/79/06/67/484790667.db2.gz XZLZBYIZVRGBIF-SJORKVTESA-N 1 3 367.538 -0.023 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419838955 484790329 /nfs/dbraw/zinc/79/03/29/484790329.db2.gz YJPOAYQRJDENEU-CVEARBPZSA-N 1 3 355.527 -0.134 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419838956 484790101 /nfs/dbraw/zinc/79/01/01/484790101.db2.gz YJPOAYQRJDENEU-HOTGVXAUSA-N 1 3 355.527 -0.134 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419838957 484790504 /nfs/dbraw/zinc/79/05/04/484790504.db2.gz YJPOAYQRJDENEU-HZPDHXFCSA-N 1 3 355.527 -0.134 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419838958 484790585 /nfs/dbraw/zinc/79/05/85/484790585.db2.gz YJPOAYQRJDENEU-JKSUJKDBSA-N 1 3 355.527 -0.134 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000419842068 484790274 /nfs/dbraw/zinc/79/02/74/484790274.db2.gz LFWYJBGSFZIKEE-CABCVRRESA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000419842070 484790379 /nfs/dbraw/zinc/79/03/79/484790379.db2.gz LFWYJBGSFZIKEE-GJZGRUSLSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000419842072 484790444 /nfs/dbraw/zinc/79/04/44/484790444.db2.gz LFWYJBGSFZIKEE-HUUCEWRRSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000419842074 484790149 /nfs/dbraw/zinc/79/01/49/484790149.db2.gz LFWYJBGSFZIKEE-LSDHHAIUSA-N 1 3 351.495 -0.519 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842137 484790527 /nfs/dbraw/zinc/79/05/27/484790527.db2.gz HIMOMPKKCAALKJ-UHFFFAOYSA-N 1 3 365.478 -0.989 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842941 484792288 /nfs/dbraw/zinc/79/22/88/484792288.db2.gz IZJFTEWWBLDSHL-HNNXBMFYSA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419842942 484791430 /nfs/dbraw/zinc/79/14/30/484791430.db2.gz IZJFTEWWBLDSHL-OAHLLOKOSA-N 1 3 365.478 -0.990 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419843018 484792081 /nfs/dbraw/zinc/79/20/81/484792081.db2.gz CMFGDXJIHXMYIF-UHFFFAOYSA-N 1 3 367.494 -0.743 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCN1C1CCN(C)CC1 ZINC000419843458 484791605 /nfs/dbraw/zinc/79/16/05/484791605.db2.gz JUXSHYCDTHUGPO-HNNXBMFYSA-N 1 3 365.522 -0.128 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCN1C1CCN(C)CC1 ZINC000419843459 484791881 /nfs/dbraw/zinc/79/18/81/484791881.db2.gz JUXSHYCDTHUGPO-OAHLLOKOSA-N 1 3 365.522 -0.128 20 0 FBADHO CN(C)CCOc1ccccc1N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419844531 484791788 /nfs/dbraw/zinc/79/17/88/484791788.db2.gz ZKDPFIXRUXYGTH-UHFFFAOYSA-N 1 3 363.462 -0.650 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419847612 484791637 /nfs/dbraw/zinc/79/16/37/484791637.db2.gz TWLQDQNRJSYZDD-FXAWDEMLSA-N 1 3 374.485 -0.050 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419847613 484793745 /nfs/dbraw/zinc/79/37/45/484793745.db2.gz TWLQDQNRJSYZDD-PXNSSMCTSA-N 1 3 374.485 -0.050 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419847614 484792693 /nfs/dbraw/zinc/79/26/93/484792693.db2.gz TWLQDQNRJSYZDD-XLIONFOSSA-N 1 3 374.485 -0.050 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419847615 484793711 /nfs/dbraw/zinc/79/37/11/484793711.db2.gz TWLQDQNRJSYZDD-YLJYHZDGSA-N 1 3 374.485 -0.050 20 0 FBADHO C[NH2+]CCCNC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000419849686 484792853 /nfs/dbraw/zinc/79/28/53/484792853.db2.gz ZBYSUHQOGQBDMI-IBGZPJMESA-N 1 3 362.474 -0.193 20 0 FBADHO C[NH2+]CCCNC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000419849687 484792810 /nfs/dbraw/zinc/79/28/10/484792810.db2.gz ZBYSUHQOGQBDMI-LJQANCHMSA-N 1 3 362.474 -0.193 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000419849943 484793491 /nfs/dbraw/zinc/79/34/91/484793491.db2.gz DEQASTUMRILSJQ-CVEARBPZSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000419849944 484793314 /nfs/dbraw/zinc/79/33/14/484793314.db2.gz DEQASTUMRILSJQ-HOTGVXAUSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000419849945 484793006 /nfs/dbraw/zinc/79/30/06/484793006.db2.gz DEQASTUMRILSJQ-HZPDHXFCSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000419849946 484793083 /nfs/dbraw/zinc/79/30/83/484793083.db2.gz DEQASTUMRILSJQ-JKSUJKDBSA-N 1 3 353.511 -0.366 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419850211 484793621 /nfs/dbraw/zinc/79/36/21/484793621.db2.gz DWWBHHPEAOUVNW-HNNXBMFYSA-N 1 3 351.495 -0.469 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419850212 484793140 /nfs/dbraw/zinc/79/31/40/484793140.db2.gz DWWBHHPEAOUVNW-OAHLLOKOSA-N 1 3 351.495 -0.469 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419850241 484792756 /nfs/dbraw/zinc/79/27/56/484792756.db2.gz FCYCPXCOKYJBTF-UHFFFAOYSA-N 1 3 361.446 -0.003 20 0 FBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419851151 484793191 /nfs/dbraw/zinc/79/31/91/484793191.db2.gz IICMIGCKIPYGCR-UHFFFAOYSA-N 1 3 365.478 -0.419 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419851445 484792670 /nfs/dbraw/zinc/79/26/70/484792670.db2.gz AZNUSODMGQOTEI-AWEZNQCLSA-N 1 3 361.446 -0.145 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419851448 484792617 /nfs/dbraw/zinc/79/26/17/484792617.db2.gz AZNUSODMGQOTEI-CQSZACIVSA-N 1 3 361.446 -0.145 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419851815 484793393 /nfs/dbraw/zinc/79/33/93/484793393.db2.gz JSIILXUPYCZDHX-UHFFFAOYSA-N 1 3 365.522 -0.125 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419853419 484794451 /nfs/dbraw/zinc/79/44/51/484794451.db2.gz NFSZLSSCVKRIIP-KRWDZBQOSA-N 1 3 365.522 -0.125 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419853421 484794490 /nfs/dbraw/zinc/79/44/90/484794490.db2.gz NFSZLSSCVKRIIP-QGZVFWFLSA-N 1 3 365.522 -0.125 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419857021 484794356 /nfs/dbraw/zinc/79/43/56/484794356.db2.gz UAXHUIALWHSWDJ-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419857023 484794522 /nfs/dbraw/zinc/79/45/22/484794522.db2.gz UAXHUIALWHSWDJ-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419857058 484794234 /nfs/dbraw/zinc/79/42/34/484794234.db2.gz UDQNKCNQFPTHFI-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419857061 484794920 /nfs/dbraw/zinc/79/49/20/484794920.db2.gz UDQNKCNQFPTHFI-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419859890 484795472 /nfs/dbraw/zinc/79/54/72/484795472.db2.gz BCRMWQZZAAHCMR-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419859891 484795691 /nfs/dbraw/zinc/79/56/91/484795691.db2.gz BCRMWQZZAAHCMR-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419859944 483765107 /nfs/dbraw/zinc/76/51/07/483765107.db2.gz AALMKMUZOBJJNO-CABCVRRESA-N 1 3 367.494 -0.615 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419859946 483765201 /nfs/dbraw/zinc/76/52/01/483765201.db2.gz AALMKMUZOBJJNO-GJZGRUSLSA-N 1 3 367.494 -0.615 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419859949 483765259 /nfs/dbraw/zinc/76/52/59/483765259.db2.gz AALMKMUZOBJJNO-HUUCEWRRSA-N 1 3 367.494 -0.615 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419859951 483765150 /nfs/dbraw/zinc/76/51/50/483765150.db2.gz AALMKMUZOBJJNO-LSDHHAIUSA-N 1 3 367.494 -0.615 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419861974 484796709 /nfs/dbraw/zinc/79/67/09/484796709.db2.gz FVXPLKXTPXERCX-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419861975 484796581 /nfs/dbraw/zinc/79/65/81/484796581.db2.gz FVXPLKXTPXERCX-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1C1CCN(C)CC1 ZINC000419863615 484796598 /nfs/dbraw/zinc/79/65/98/484796598.db2.gz NTDSKPQXCUTARM-BBRMVZONSA-N 1 3 351.495 -0.533 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1C1CCN(C)CC1 ZINC000419863616 484796886 /nfs/dbraw/zinc/79/68/86/484796886.db2.gz NTDSKPQXCUTARM-CJNGLKHVSA-N 1 3 351.495 -0.533 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1C1CCN(C)CC1 ZINC000419863618 484796663 /nfs/dbraw/zinc/79/66/63/484796663.db2.gz NTDSKPQXCUTARM-CZUORRHYSA-N 1 3 351.495 -0.533 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1C1CCN(C)CC1 ZINC000419863619 484796726 /nfs/dbraw/zinc/79/67/26/484796726.db2.gz NTDSKPQXCUTARM-XJKSGUPXSA-N 1 3 351.495 -0.533 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419864460 484796513 /nfs/dbraw/zinc/79/65/13/484796513.db2.gz IYTFCWNBKDNTQI-KRWDZBQOSA-N 1 3 365.522 -0.221 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419864462 484796643 /nfs/dbraw/zinc/79/66/43/484796643.db2.gz IYTFCWNBKDNTQI-QGZVFWFLSA-N 1 3 365.522 -0.221 20 0 FBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419865157 484797235 /nfs/dbraw/zinc/79/72/35/484797235.db2.gz JEQAGROELOPYCT-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419865159 484796903 /nfs/dbraw/zinc/79/69/03/484796903.db2.gz JEQAGROELOPYCT-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419866158 484796970 /nfs/dbraw/zinc/79/69/70/484796970.db2.gz GXUUDXGMZHKQAH-UHFFFAOYSA-N 1 3 367.494 -0.615 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419866210 484796588 /nfs/dbraw/zinc/79/65/88/484796588.db2.gz KFVJNECSAMUUQB-INIZCTEOSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419866215 484796542 /nfs/dbraw/zinc/79/65/42/484796542.db2.gz KFVJNECSAMUUQB-MRXNPFEDSA-N 1 3 353.511 -0.366 20 0 FBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419868103 484798167 /nfs/dbraw/zinc/79/81/67/484798167.db2.gz BYCFWDPVPFTBTN-UHFFFAOYSA-N 1 3 351.451 -0.809 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419869946 484798483 /nfs/dbraw/zinc/79/84/83/484798483.db2.gz DDXAYHAZSUMMPJ-APWZRJJASA-N 1 3 360.458 -0.440 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419869948 484797878 /nfs/dbraw/zinc/79/78/78/484797878.db2.gz DDXAYHAZSUMMPJ-LPHOPBHVSA-N 1 3 360.458 -0.440 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419869951 484798013 /nfs/dbraw/zinc/79/80/13/484798013.db2.gz DDXAYHAZSUMMPJ-QFBILLFUSA-N 1 3 360.458 -0.440 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419869953 484797892 /nfs/dbraw/zinc/79/78/92/484797892.db2.gz DDXAYHAZSUMMPJ-VQIMIIECSA-N 1 3 360.458 -0.440 20 0 FBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419871218 484798397 /nfs/dbraw/zinc/79/83/97/484798397.db2.gz PJLAYJULHUWKBV-UHFFFAOYSA-N 1 3 367.519 -0.340 20 0 FBADHO CC(C)(CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)N1CCCCC1 ZINC000419872407 484799932 /nfs/dbraw/zinc/79/99/32/484799932.db2.gz QPNVVEQTUBRXND-UHFFFAOYSA-N 1 3 353.511 -0.221 20 0 FBADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419873891 484807865 /nfs/dbraw/zinc/80/78/65/484807865.db2.gz SDHGNRNOFFBSJY-HOTGVXAUSA-N 1 3 353.511 -0.223 20 0 FBADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419873894 484807290 /nfs/dbraw/zinc/80/72/90/484807290.db2.gz SDHGNRNOFFBSJY-HZPDHXFCSA-N 1 3 353.511 -0.223 20 0 FBADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419873896 484807227 /nfs/dbraw/zinc/80/72/27/484807227.db2.gz SDHGNRNOFFBSJY-IYBDPMFKSA-N 1 3 353.511 -0.223 20 0 FBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874621 484800286 /nfs/dbraw/zinc/80/02/86/484800286.db2.gz UFYUHGVAANBOLL-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874622 484799182 /nfs/dbraw/zinc/79/91/82/484799182.db2.gz UFYUHGVAANBOLL-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874903 484800068 /nfs/dbraw/zinc/80/00/68/484800068.db2.gz ULOOHQXBPGORGL-HNNXBMFYSA-N 1 3 353.511 -0.366 20 0 FBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419874904 484799548 /nfs/dbraw/zinc/79/95/48/484799548.db2.gz ULOOHQXBPGORGL-OAHLLOKOSA-N 1 3 353.511 -0.366 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419875322 484800237 /nfs/dbraw/zinc/80/02/37/484800237.db2.gz DWHMIIMVQJDRGK-HNNXBMFYSA-N 1 3 367.494 -0.885 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419875326 484799706 /nfs/dbraw/zinc/79/97/06/484799706.db2.gz DWHMIIMVQJDRGK-OAHLLOKOSA-N 1 3 367.494 -0.885 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419875434 484799465 /nfs/dbraw/zinc/79/94/65/484799465.db2.gz GZXOCRYMEGOGEC-UHFFFAOYSA-N 1 3 351.495 -0.515 20 0 FBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875941 484800264 /nfs/dbraw/zinc/80/02/64/484800264.db2.gz VKNWDMMUAUKKHZ-CVEARBPZSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875942 484800230 /nfs/dbraw/zinc/80/02/30/484800230.db2.gz VKNWDMMUAUKKHZ-HOTGVXAUSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875943 484799517 /nfs/dbraw/zinc/79/95/17/484799517.db2.gz VKNWDMMUAUKKHZ-HZPDHXFCSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419875944 484799951 /nfs/dbraw/zinc/79/99/51/484799951.db2.gz VKNWDMMUAUKKHZ-JKSUJKDBSA-N 1 3 353.511 -0.366 20 0 FBADHO CN(CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419876172 484800279 /nfs/dbraw/zinc/80/02/79/484800279.db2.gz HQAUKNNBRSWHLX-GOSISDBHSA-N 1 3 373.501 -0.259 20 0 FBADHO CN(CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419876174 484799640 /nfs/dbraw/zinc/79/96/40/484799640.db2.gz HQAUKNNBRSWHLX-SFHVURJKSA-N 1 3 373.501 -0.259 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419876469 484799266 /nfs/dbraw/zinc/79/92/66/484799266.db2.gz VSLJUUDWBBDRTD-KRWDZBQOSA-N 1 3 365.522 -0.125 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419876471 484799731 /nfs/dbraw/zinc/79/97/31/484799731.db2.gz VSLJUUDWBBDRTD-QGZVFWFLSA-N 1 3 365.522 -0.125 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419876656 484799767 /nfs/dbraw/zinc/79/97/67/484799767.db2.gz XUBWRLNCSGAWPQ-FXAWDEMLSA-N 1 3 374.485 -0.065 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419876658 484799913 /nfs/dbraw/zinc/79/99/13/484799913.db2.gz XUBWRLNCSGAWPQ-PXNSSMCTSA-N 1 3 374.485 -0.065 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419876660 484799245 /nfs/dbraw/zinc/79/92/45/484799245.db2.gz XUBWRLNCSGAWPQ-XLIONFOSSA-N 1 3 374.485 -0.065 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419876662 484799574 /nfs/dbraw/zinc/79/95/74/484799574.db2.gz XUBWRLNCSGAWPQ-YLJYHZDGSA-N 1 3 374.485 -0.065 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419878724 484801707 /nfs/dbraw/zinc/80/17/07/484801707.db2.gz YHVQZAALETVTGG-CVEARBPZSA-N 1 3 351.495 -0.517 20 0 FBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879576 484801174 /nfs/dbraw/zinc/80/11/74/484801174.db2.gz ZHWSRRFCNCSHAM-BBWFWOEESA-N 1 3 367.538 -0.120 20 0 FBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879577 484800635 /nfs/dbraw/zinc/80/06/35/484800635.db2.gz ZHWSRRFCNCSHAM-BRWVUGGUSA-N 1 3 367.538 -0.120 20 0 FBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879578 484801740 /nfs/dbraw/zinc/80/17/40/484801740.db2.gz ZHWSRRFCNCSHAM-IXDOHACOSA-N 1 3 367.538 -0.120 20 0 FBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419879579 484800790 /nfs/dbraw/zinc/80/07/90/484800790.db2.gz ZHWSRRFCNCSHAM-ZACQAIPSSA-N 1 3 367.538 -0.120 20 0 FBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCN2CC[NH2+]CC2)o1 ZINC000419882227 484801528 /nfs/dbraw/zinc/80/15/28/484801528.db2.gz MDMGMNFUHLJAEB-UHFFFAOYSA-N 1 3 365.478 -0.500 20 0 FBADHO C[NH2+]CCNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000419882385 484801690 /nfs/dbraw/zinc/80/16/90/484801690.db2.gz XOSOTKLNPHGHFO-UHFFFAOYSA-N 1 3 361.490 -0.402 20 0 FBADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419883989 484801369 /nfs/dbraw/zinc/80/13/69/484801369.db2.gz NJDBOIDFUKQLIO-UHFFFAOYSA-N 1 3 367.538 -0.022 20 0 FBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419885187 484802701 /nfs/dbraw/zinc/80/27/01/484802701.db2.gz OJRQYCVGUPNECK-UHFFFAOYSA-N 1 3 367.519 -0.340 20 0 FBADHO CC[NH2+]CCNC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000419891083 484802214 /nfs/dbraw/zinc/80/22/14/484802214.db2.gz MUVCXTKQKFRQAV-IBGZPJMESA-N 1 3 362.474 -0.193 20 0 FBADHO CC[NH2+]CCNC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000419891085 484802790 /nfs/dbraw/zinc/80/27/90/484802790.db2.gz MUVCXTKQKFRQAV-LJQANCHMSA-N 1 3 362.474 -0.193 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893165 484803467 /nfs/dbraw/zinc/80/34/67/484803467.db2.gz LXESXEHZHSUYPD-FXAWDEMLSA-N 1 3 374.485 -0.050 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893168 484803302 /nfs/dbraw/zinc/80/33/02/484803302.db2.gz LXESXEHZHSUYPD-PXNSSMCTSA-N 1 3 374.485 -0.050 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893171 484803262 /nfs/dbraw/zinc/80/32/62/484803262.db2.gz LXESXEHZHSUYPD-XLIONFOSSA-N 1 3 374.485 -0.050 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893173 484804108 /nfs/dbraw/zinc/80/41/08/484804108.db2.gz LXESXEHZHSUYPD-YLJYHZDGSA-N 1 3 374.485 -0.050 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCN1C1CCN(C)CC1 ZINC000419894217 484803912 /nfs/dbraw/zinc/80/39/12/484803912.db2.gz NJAAXXDJWKKRIY-CABCVRRESA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCN1C1CCN(C)CC1 ZINC000419894219 484803611 /nfs/dbraw/zinc/80/36/11/484803611.db2.gz NJAAXXDJWKKRIY-GJZGRUSLSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCN1C1CCN(C)CC1 ZINC000419894222 484803602 /nfs/dbraw/zinc/80/36/02/484803602.db2.gz NJAAXXDJWKKRIY-HUUCEWRRSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCN1C1CCN(C)CC1 ZINC000419894224 484803951 /nfs/dbraw/zinc/80/39/51/484803951.db2.gz NJAAXXDJWKKRIY-LSDHHAIUSA-N 1 3 351.495 -0.519 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419898058 484804622 /nfs/dbraw/zinc/80/46/22/484804622.db2.gz ZJYIJYJIOQDDLA-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419898059 484805255 /nfs/dbraw/zinc/80/52/55/484805255.db2.gz ZJYIJYJIOQDDLA-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000419908576 484806747 /nfs/dbraw/zinc/80/67/47/484806747.db2.gz IPPOPYSWNGYRNG-UHFFFAOYSA-N 1 3 355.483 -0.885 20 0 FBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419909971 484806154 /nfs/dbraw/zinc/80/61/54/484806154.db2.gz NHZQXDQDWMIWCM-HNNXBMFYSA-N 1 3 353.511 -0.271 20 0 FBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419909972 484806422 /nfs/dbraw/zinc/80/64/22/484806422.db2.gz NHZQXDQDWMIWCM-OAHLLOKOSA-N 1 3 353.511 -0.271 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419914619 484806272 /nfs/dbraw/zinc/80/62/72/484806272.db2.gz OITXHNJUFFNKGT-HNNXBMFYSA-N 1 3 367.494 -0.885 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419914621 484806733 /nfs/dbraw/zinc/80/67/33/484806733.db2.gz OITXHNJUFFNKGT-OAHLLOKOSA-N 1 3 367.494 -0.885 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419921042 484807474 /nfs/dbraw/zinc/80/74/74/484807474.db2.gz XJCYMEDPJZDLDS-AWEZNQCLSA-N 1 3 361.446 -0.145 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419921043 484807241 /nfs/dbraw/zinc/80/72/41/484807241.db2.gz XJCYMEDPJZDLDS-CQSZACIVSA-N 1 3 361.446 -0.145 20 0 FBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419926636 484808557 /nfs/dbraw/zinc/80/85/57/484808557.db2.gz BKJCNDHGCXFFNL-CABCVRRESA-N 1 3 353.511 -0.415 20 0 FBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419926637 484808943 /nfs/dbraw/zinc/80/89/43/484808943.db2.gz BKJCNDHGCXFFNL-GJZGRUSLSA-N 1 3 353.511 -0.415 20 0 FBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419926638 484808819 /nfs/dbraw/zinc/80/88/19/484808819.db2.gz BKJCNDHGCXFFNL-HUUCEWRRSA-N 1 3 353.511 -0.415 20 0 FBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419926639 484810076 /nfs/dbraw/zinc/81/00/76/484810076.db2.gz BKJCNDHGCXFFNL-LSDHHAIUSA-N 1 3 353.511 -0.415 20 0 FBADHO CN(CCN1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000419930190 484810166 /nfs/dbraw/zinc/81/01/66/484810166.db2.gz XPPHEKBZEWCNCZ-UHFFFAOYSA-N 1 3 373.501 -0.402 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1C1CCN(C)CC1 ZINC000419931689 484810117 /nfs/dbraw/zinc/81/01/17/484810117.db2.gz DONXOQFRYNWIQH-HZPDHXFCSA-N 1 3 365.522 -0.128 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCN1C1CCN(C)CC1 ZINC000419931690 484810532 /nfs/dbraw/zinc/81/05/32/484810532.db2.gz DONXOQFRYNWIQH-JKSUJKDBSA-N 1 3 365.522 -0.128 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419934331 484810196 /nfs/dbraw/zinc/81/01/96/484810196.db2.gz FXKXJGPOAPXIEJ-HNNXBMFYSA-N 1 3 367.494 -0.743 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419934333 484810226 /nfs/dbraw/zinc/81/02/26/484810226.db2.gz FXKXJGPOAPXIEJ-OAHLLOKOSA-N 1 3 367.494 -0.743 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419934878 484810051 /nfs/dbraw/zinc/81/00/51/484810051.db2.gz IASBZEDRSJQSGL-OAHLLOKOSA-N 1 3 367.494 -0.743 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419941148 484812327 /nfs/dbraw/zinc/81/23/27/484812327.db2.gz WGILKBVAFJRCQZ-CQSZACIVSA-N 1 3 361.446 -0.003 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419947673 484811361 /nfs/dbraw/zinc/81/13/61/484811361.db2.gz DCBXJTVQZMPDCK-HNNXBMFYSA-N 1 3 369.510 -0.511 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419947675 484812338 /nfs/dbraw/zinc/81/23/38/484812338.db2.gz DCBXJTVQZMPDCK-OAHLLOKOSA-N 1 3 369.510 -0.511 20 0 FBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419950689 484813246 /nfs/dbraw/zinc/81/32/46/484813246.db2.gz ITSZZFHOTFXJEE-CABCVRRESA-N 1 3 367.494 -0.759 20 0 FBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000419950690 484813614 /nfs/dbraw/zinc/81/36/14/484813614.db2.gz ITSZZFHOTFXJEE-GJZGRUSLSA-N 1 3 367.494 -0.759 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419950780 484814032 /nfs/dbraw/zinc/81/40/32/484814032.db2.gz MVMCJMBUVBZWGC-OAHLLOKOSA-N 1 3 365.478 -0.989 20 0 FBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419950958 484814178 /nfs/dbraw/zinc/81/41/78/484814178.db2.gz ITSZZFHOTFXJEE-HUUCEWRRSA-N 1 3 367.494 -0.759 20 0 FBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000419950959 484813687 /nfs/dbraw/zinc/81/36/87/484813687.db2.gz ITSZZFHOTFXJEE-LSDHHAIUSA-N 1 3 367.494 -0.759 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419953958 484814198 /nfs/dbraw/zinc/81/41/98/484814198.db2.gz QIISQVKTWYTDCH-AWEZNQCLSA-N 1 3 361.446 -0.003 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419953959 484813911 /nfs/dbraw/zinc/81/39/11/484813911.db2.gz QIISQVKTWYTDCH-CQSZACIVSA-N 1 3 361.446 -0.003 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419955461 484813454 /nfs/dbraw/zinc/81/34/54/484813454.db2.gz RQRYWPNMCLMAFX-CABCVRRESA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419955462 484814209 /nfs/dbraw/zinc/81/42/09/484814209.db2.gz RQRYWPNMCLMAFX-HUUCEWRRSA-N 1 3 365.478 -0.990 20 0 FBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000419961618 484809024 /nfs/dbraw/zinc/80/90/24/484809024.db2.gz UFRXOJCHAXWHNR-BEFAXECRSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000419961623 484808902 /nfs/dbraw/zinc/80/89/02/484808902.db2.gz UFRXOJCHAXWHNR-DNVCBOLYSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000419961625 484808666 /nfs/dbraw/zinc/80/86/66/484808666.db2.gz UFRXOJCHAXWHNR-HNAYVOBHSA-N 1 3 362.474 -0.207 20 0 FBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000419961629 484809375 /nfs/dbraw/zinc/80/93/75/484809375.db2.gz UFRXOJCHAXWHNR-KXBFYZLASA-N 1 3 362.474 -0.207 20 0 FBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419965979 484809434 /nfs/dbraw/zinc/80/94/34/484809434.db2.gz XTTNXPXOYUKUMM-HNNXBMFYSA-N 1 3 367.494 -0.757 20 0 FBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000419965981 484808644 /nfs/dbraw/zinc/80/86/44/484808644.db2.gz XTTNXPXOYUKUMM-OAHLLOKOSA-N 1 3 367.494 -0.757 20 0 FBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419976199 484819926 /nfs/dbraw/zinc/81/99/26/484819926.db2.gz LYQCJDYYLZKONA-GDBMZVCRSA-N 1 3 353.511 -0.287 20 0 FBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419976200 484820002 /nfs/dbraw/zinc/82/00/02/484820002.db2.gz LYQCJDYYLZKONA-GOEBONIOSA-N 1 3 353.511 -0.287 20 0 FBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000419976202 484819558 /nfs/dbraw/zinc/81/95/58/484819558.db2.gz LYQCJDYYLZKONA-HOCLYGCPSA-N 1 3 353.511 -0.287 20 0 FBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000419976203 484819656 /nfs/dbraw/zinc/81/96/56/484819656.db2.gz LYQCJDYYLZKONA-ZBFHGGJFSA-N 1 3 353.511 -0.287 20 0 FBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000419987494 484821201 /nfs/dbraw/zinc/82/12/01/484821201.db2.gz DRIRKXREUZNQFA-BEFAXECRSA-N 1 3 362.474 -0.065 20 0 FBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000419987496 484821162 /nfs/dbraw/zinc/82/11/62/484821162.db2.gz DRIRKXREUZNQFA-DNVCBOLYSA-N 1 3 362.474 -0.065 20 0 FBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000419987498 484820897 /nfs/dbraw/zinc/82/08/97/484820897.db2.gz DRIRKXREUZNQFA-HNAYVOBHSA-N 1 3 362.474 -0.065 20 0 FBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000419987501 484820520 /nfs/dbraw/zinc/82/05/20/484820520.db2.gz DRIRKXREUZNQFA-KXBFYZLASA-N 1 3 362.474 -0.065 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000419992289 484820840 /nfs/dbraw/zinc/82/08/40/484820840.db2.gz FEOFOJHIJQEPPA-CVEARBPZSA-N 1 3 365.522 -0.128 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000419992292 484821080 /nfs/dbraw/zinc/82/10/80/484821080.db2.gz FEOFOJHIJQEPPA-HOTGVXAUSA-N 1 3 365.522 -0.128 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000419992295 484820998 /nfs/dbraw/zinc/82/09/98/484820998.db2.gz FEOFOJHIJQEPPA-HZPDHXFCSA-N 1 3 365.522 -0.128 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C1CCN(C)CC1 ZINC000419992297 484821016 /nfs/dbraw/zinc/82/10/16/484821016.db2.gz FEOFOJHIJQEPPA-JKSUJKDBSA-N 1 3 365.522 -0.128 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420011381 484816386 /nfs/dbraw/zinc/81/63/86/484816386.db2.gz HYJRGOUNQYDGNS-AWEZNQCLSA-N 1 3 355.483 -0.902 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420011382 484816075 /nfs/dbraw/zinc/81/60/75/484816075.db2.gz HYJRGOUNQYDGNS-CQSZACIVSA-N 1 3 355.483 -0.902 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000420011777 484816921 /nfs/dbraw/zinc/81/69/21/484816921.db2.gz AEOIEEFBKKKNJZ-DZGCQCFKSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000420011778 484816520 /nfs/dbraw/zinc/81/65/20/484816520.db2.gz AEOIEEFBKKKNJZ-HIFRSBDPSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000420011780 484816400 /nfs/dbraw/zinc/81/64/00/484816400.db2.gz AEOIEEFBKKKNJZ-UKRRQHHQSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000420011781 484816783 /nfs/dbraw/zinc/81/67/83/484816783.db2.gz AEOIEEFBKKKNJZ-ZFWWWQNUSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000420015176 484816535 /nfs/dbraw/zinc/81/65/35/484816535.db2.gz PQNKDRJJJNQOHL-MRXNPFEDSA-N 1 3 361.490 -0.274 20 0 FBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000420030457 484829442 /nfs/dbraw/zinc/82/94/42/484829442.db2.gz PQNKDRJJJNQOHL-INIZCTEOSA-N 1 3 361.490 -0.274 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000420045114 484822409 /nfs/dbraw/zinc/82/24/09/484822409.db2.gz UMLYMURACSHWFY-KKUMJFAQSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420045115 484822383 /nfs/dbraw/zinc/82/23/83/484822383.db2.gz UMLYMURACSHWFY-RRFJBIMHSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000420045116 484822053 /nfs/dbraw/zinc/82/20/53/484822053.db2.gz UMLYMURACSHWFY-SOUVJXGZSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420045117 484822288 /nfs/dbraw/zinc/82/22/88/484822288.db2.gz UMLYMURACSHWFY-ZNMIVQPWSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000420050206 484823339 /nfs/dbraw/zinc/82/33/39/484823339.db2.gz UYFHEVUHRULXQS-BFYDXBDKSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000420050208 484823097 /nfs/dbraw/zinc/82/30/97/484823097.db2.gz UYFHEVUHRULXQS-HLLBOEOZSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000420050209 484823887 /nfs/dbraw/zinc/82/38/87/484823887.db2.gz UYFHEVUHRULXQS-INMHGKMJSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000420050211 484824337 /nfs/dbraw/zinc/82/43/37/484824337.db2.gz UYFHEVUHRULXQS-VYDXJSESSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCN1C1CCN(C)CC1 ZINC000420052163 484824170 /nfs/dbraw/zinc/82/41/70/484824170.db2.gz CQNZHTVACCMRRS-BBRMVZONSA-N 1 3 351.495 -0.533 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCN1C1CCN(C)CC1 ZINC000420052165 484823134 /nfs/dbraw/zinc/82/31/34/484823134.db2.gz CQNZHTVACCMRRS-CJNGLKHVSA-N 1 3 351.495 -0.533 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCN1C1CCN(C)CC1 ZINC000420052167 484823532 /nfs/dbraw/zinc/82/35/32/484823532.db2.gz CQNZHTVACCMRRS-CZUORRHYSA-N 1 3 351.495 -0.533 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCN1C1CCN(C)CC1 ZINC000420052169 484823685 /nfs/dbraw/zinc/82/36/85/484823685.db2.gz CQNZHTVACCMRRS-XJKSGUPXSA-N 1 3 351.495 -0.533 20 0 FBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420058987 484825409 /nfs/dbraw/zinc/82/54/09/484825409.db2.gz JIVSPGGCLKUVKJ-CVEARBPZSA-N 1 3 351.495 -0.532 20 0 FBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420058987 484825403 /nfs/dbraw/zinc/82/54/03/484825403.db2.gz JIVSPGGCLKUVKJ-CVEARBPZSA-N 1 3 351.495 -0.532 20 0 FBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420058989 484824834 /nfs/dbraw/zinc/82/48/34/484824834.db2.gz JIVSPGGCLKUVKJ-HOTGVXAUSA-N 1 3 351.495 -0.532 20 0 FBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420058989 484824830 /nfs/dbraw/zinc/82/48/30/484824830.db2.gz JIVSPGGCLKUVKJ-HOTGVXAUSA-N 1 3 351.495 -0.532 20 0 FBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420058993 484825044 /nfs/dbraw/zinc/82/50/44/484825044.db2.gz JIVSPGGCLKUVKJ-HZPDHXFCSA-N 1 3 351.495 -0.532 20 0 FBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420058993 484825038 /nfs/dbraw/zinc/82/50/38/484825038.db2.gz JIVSPGGCLKUVKJ-HZPDHXFCSA-N 1 3 351.495 -0.532 20 0 FBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420058995 484825854 /nfs/dbraw/zinc/82/58/54/484825854.db2.gz JIVSPGGCLKUVKJ-JKSUJKDBSA-N 1 3 351.495 -0.532 20 0 FBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420058995 484825848 /nfs/dbraw/zinc/82/58/48/484825848.db2.gz JIVSPGGCLKUVKJ-JKSUJKDBSA-N 1 3 351.495 -0.532 20 0 FBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420061254 484827114 /nfs/dbraw/zinc/82/71/14/484827114.db2.gz LETFKIRHNWXUDA-BFYDXBDKSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420061257 484827073 /nfs/dbraw/zinc/82/70/73/484827073.db2.gz LETFKIRHNWXUDA-HLLBOEOZSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420061257 484827069 /nfs/dbraw/zinc/82/70/69/484827069.db2.gz LETFKIRHNWXUDA-HLLBOEOZSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420061259 484826733 /nfs/dbraw/zinc/82/67/33/484826733.db2.gz LETFKIRHNWXUDA-INMHGKMJSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420061263 484826958 /nfs/dbraw/zinc/82/69/58/484826958.db2.gz LETFKIRHNWXUDA-UXLLHSPISA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420061263 484826953 /nfs/dbraw/zinc/82/69/53/484826953.db2.gz LETFKIRHNWXUDA-UXLLHSPISA-N 1 3 365.522 -0.143 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420065752 484826459 /nfs/dbraw/zinc/82/64/59/484826459.db2.gz QCFUFUYELNGGAA-FXAWDEMLSA-N 1 3 374.485 -0.065 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420065753 484826816 /nfs/dbraw/zinc/82/68/16/484826816.db2.gz QCFUFUYELNGGAA-PXNSSMCTSA-N 1 3 374.485 -0.065 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420065755 484827006 /nfs/dbraw/zinc/82/70/06/484827006.db2.gz QCFUFUYELNGGAA-XLIONFOSSA-N 1 3 374.485 -0.065 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420065756 484826647 /nfs/dbraw/zinc/82/66/47/484826647.db2.gz QCFUFUYELNGGAA-YLJYHZDGSA-N 1 3 374.485 -0.065 20 0 FBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC2)CC1 ZINC000420071897 484828176 /nfs/dbraw/zinc/82/81/76/484828176.db2.gz YHPZWZYSNKJIRN-KRWDZBQOSA-N 1 3 365.522 -0.143 20 0 FBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)CC2)CC1 ZINC000420071899 484828999 /nfs/dbraw/zinc/82/89/99/484828999.db2.gz YHPZWZYSNKJIRN-QGZVFWFLSA-N 1 3 365.522 -0.143 20 0 FBADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420077422 484833161 /nfs/dbraw/zinc/83/31/61/484833161.db2.gz CIKXMSQIYUMYKO-UHFFFAOYSA-N 1 3 367.494 -0.613 20 0 FBADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000420079365 484833869 /nfs/dbraw/zinc/83/38/69/484833869.db2.gz HQSRNDRGJHMPSW-AWEZNQCLSA-N 1 3 367.494 -0.615 20 0 FBADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000420079367 484833981 /nfs/dbraw/zinc/83/39/81/484833981.db2.gz HQSRNDRGJHMPSW-CQSZACIVSA-N 1 3 367.494 -0.615 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000420082049 484833900 /nfs/dbraw/zinc/83/39/00/484833900.db2.gz POKWMQWRMDTLKG-UHFFFAOYSA-N 1 3 369.510 -0.367 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083268 484834558 /nfs/dbraw/zinc/83/45/58/484834558.db2.gz WJTNAQKQNFYRSG-IBGZPJMESA-N 1 3 362.474 -0.065 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083269 484834221 /nfs/dbraw/zinc/83/42/21/484834221.db2.gz WJTNAQKQNFYRSG-LJQANCHMSA-N 1 3 362.474 -0.065 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CCN1C1CCN(C)CC1 ZINC000420091113 484834333 /nfs/dbraw/zinc/83/43/33/484834333.db2.gz MEOLCKRPTKGLII-AWEZNQCLSA-N 1 3 351.495 -0.389 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CCN1C1CCN(C)CC1 ZINC000420091115 484834323 /nfs/dbraw/zinc/83/43/23/484834323.db2.gz MEOLCKRPTKGLII-CQSZACIVSA-N 1 3 351.495 -0.389 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000420099776 484835960 /nfs/dbraw/zinc/83/59/60/484835960.db2.gz JWDFJEZCCXATIE-CABCVRRESA-N 1 3 367.494 -0.887 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000420099778 484835291 /nfs/dbraw/zinc/83/52/91/484835291.db2.gz JWDFJEZCCXATIE-GJZGRUSLSA-N 1 3 367.494 -0.887 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000420099780 484835874 /nfs/dbraw/zinc/83/58/74/484835874.db2.gz JWDFJEZCCXATIE-HUUCEWRRSA-N 1 3 367.494 -0.887 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000420099782 484835982 /nfs/dbraw/zinc/83/59/82/484835982.db2.gz JWDFJEZCCXATIE-LSDHHAIUSA-N 1 3 367.494 -0.887 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000420104422 484835793 /nfs/dbraw/zinc/83/57/93/484835793.db2.gz QYMNONALBSDBHA-KBPBESRZSA-N 1 3 361.446 -0.147 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000420104423 484835439 /nfs/dbraw/zinc/83/54/39/484835439.db2.gz QYMNONALBSDBHA-KGLIPLIRSA-N 1 3 361.446 -0.147 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000420104424 484835451 /nfs/dbraw/zinc/83/54/51/484835451.db2.gz QYMNONALBSDBHA-UONOGXRCSA-N 1 3 361.446 -0.147 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000420104425 484835970 /nfs/dbraw/zinc/83/59/70/484835970.db2.gz QYMNONALBSDBHA-ZIAGYGMSSA-N 1 3 361.446 -0.147 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420108847 484836018 /nfs/dbraw/zinc/83/60/18/484836018.db2.gz AJZYYKNPPIWXCO-KBPBESRZSA-N 1 3 361.446 -0.147 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420108848 484835648 /nfs/dbraw/zinc/83/56/48/484835648.db2.gz AJZYYKNPPIWXCO-KGLIPLIRSA-N 1 3 361.446 -0.147 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420108849 484835559 /nfs/dbraw/zinc/83/55/59/484835559.db2.gz AJZYYKNPPIWXCO-UONOGXRCSA-N 1 3 361.446 -0.147 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420108850 484835697 /nfs/dbraw/zinc/83/56/97/484835697.db2.gz AJZYYKNPPIWXCO-ZIAGYGMSSA-N 1 3 361.446 -0.147 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000420111269 484837540 /nfs/dbraw/zinc/83/75/40/484837540.db2.gz GLVKWDUGJUUNKQ-BFYDXBDKSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000420111270 484837422 /nfs/dbraw/zinc/83/74/22/484837422.db2.gz GLVKWDUGJUUNKQ-HLLBOEOZSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000420111271 484836800 /nfs/dbraw/zinc/83/68/00/484836800.db2.gz GLVKWDUGJUUNKQ-INMHGKMJSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000420111272 484836612 /nfs/dbraw/zinc/83/66/12/484836612.db2.gz GLVKWDUGJUUNKQ-VYDXJSESSA-N 1 3 365.522 -0.273 20 0 FBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420114287 484837356 /nfs/dbraw/zinc/83/73/56/484837356.db2.gz DIRWEXYWNVIMIC-HNNXBMFYSA-N 1 3 367.494 -0.613 20 0 FBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420114288 484837147 /nfs/dbraw/zinc/83/71/47/484837147.db2.gz DIRWEXYWNVIMIC-OAHLLOKOSA-N 1 3 367.494 -0.613 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420122187 484844930 /nfs/dbraw/zinc/84/49/30/484844930.db2.gz LEPZFGHXBIWLCY-KBPBESRZSA-N 1 3 361.446 -0.005 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420122189 484844359 /nfs/dbraw/zinc/84/43/59/484844359.db2.gz LEPZFGHXBIWLCY-KGLIPLIRSA-N 1 3 361.446 -0.005 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420122191 484844590 /nfs/dbraw/zinc/84/45/90/484844590.db2.gz LEPZFGHXBIWLCY-UONOGXRCSA-N 1 3 361.446 -0.005 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420122193 484844655 /nfs/dbraw/zinc/84/46/55/484844655.db2.gz LEPZFGHXBIWLCY-ZIAGYGMSSA-N 1 3 361.446 -0.005 20 0 FBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000420124803 484845063 /nfs/dbraw/zinc/84/50/63/484845063.db2.gz OXKDUBXOBGMPBB-CABCVRRESA-N 1 3 367.494 -0.615 20 0 FBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000420124805 484844865 /nfs/dbraw/zinc/84/48/65/484844865.db2.gz OXKDUBXOBGMPBB-GJZGRUSLSA-N 1 3 367.494 -0.615 20 0 FBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000420124807 484844129 /nfs/dbraw/zinc/84/41/29/484844129.db2.gz OXKDUBXOBGMPBB-HUUCEWRRSA-N 1 3 367.494 -0.615 20 0 FBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000420124808 484844380 /nfs/dbraw/zinc/84/43/80/484844380.db2.gz OXKDUBXOBGMPBB-LSDHHAIUSA-N 1 3 367.494 -0.615 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420131838 484845595 /nfs/dbraw/zinc/84/55/95/484845595.db2.gz SGBARAJOIYNSKZ-CABCVRRESA-N 1 3 367.494 -0.744 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420131840 484846192 /nfs/dbraw/zinc/84/61/92/484846192.db2.gz SGBARAJOIYNSKZ-GJZGRUSLSA-N 1 3 367.494 -0.744 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420131842 484846282 /nfs/dbraw/zinc/84/62/82/484846282.db2.gz SGBARAJOIYNSKZ-HUUCEWRRSA-N 1 3 367.494 -0.744 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420131845 484846060 /nfs/dbraw/zinc/84/60/60/484846060.db2.gz SGBARAJOIYNSKZ-LSDHHAIUSA-N 1 3 367.494 -0.744 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420142191 484847351 /nfs/dbraw/zinc/84/73/51/484847351.db2.gz TWJHWRCLHYGELO-UHFFFAOYSA-N 1 3 359.430 -0.225 20 0 FBADHO C[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000420145346 484838380 /nfs/dbraw/zinc/83/83/80/484838380.db2.gz ORUOBKXULMZGCZ-BEFAXECRSA-N 1 3 362.474 -0.194 20 0 FBADHO C[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000420145347 484839155 /nfs/dbraw/zinc/83/91/55/484839155.db2.gz ORUOBKXULMZGCZ-DNVCBOLYSA-N 1 3 362.474 -0.194 20 0 FBADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000420145348 484838461 /nfs/dbraw/zinc/83/84/61/484838461.db2.gz ORUOBKXULMZGCZ-HNAYVOBHSA-N 1 3 362.474 -0.194 20 0 FBADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000420145349 484839014 /nfs/dbraw/zinc/83/90/14/484839014.db2.gz ORUOBKXULMZGCZ-KXBFYZLASA-N 1 3 362.474 -0.194 20 0 FBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000420145434 484839220 /nfs/dbraw/zinc/83/92/20/484839220.db2.gz ODAPTKLSAOONPK-HNNXBMFYSA-N 1 3 369.510 -0.367 20 0 FBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000420145435 484839184 /nfs/dbraw/zinc/83/91/84/484839184.db2.gz ODAPTKLSAOONPK-OAHLLOKOSA-N 1 3 369.510 -0.367 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420150130 484839717 /nfs/dbraw/zinc/83/97/17/484839717.db2.gz WHIWQLZIQGYBTE-CABCVRRESA-N 1 3 367.494 -0.887 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420150131 484840643 /nfs/dbraw/zinc/84/06/43/484840643.db2.gz WHIWQLZIQGYBTE-GJZGRUSLSA-N 1 3 367.494 -0.887 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420150132 484840001 /nfs/dbraw/zinc/84/00/01/484840001.db2.gz WHIWQLZIQGYBTE-HUUCEWRRSA-N 1 3 367.494 -0.887 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420150133 484840614 /nfs/dbraw/zinc/84/06/14/484840614.db2.gz WHIWQLZIQGYBTE-LSDHHAIUSA-N 1 3 367.494 -0.887 20 0 FBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000420153297 484839738 /nfs/dbraw/zinc/83/97/38/484839738.db2.gz GFWLKMPNCWYPCP-CQSZACIVSA-N 1 3 355.483 -0.887 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420167608 484842899 /nfs/dbraw/zinc/84/28/99/484842899.db2.gz PNKDLAONERRXBE-INIZCTEOSA-N 1 3 367.538 -0.023 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420167610 484843115 /nfs/dbraw/zinc/84/31/15/484843115.db2.gz PNKDLAONERRXBE-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000420167817 484843336 /nfs/dbraw/zinc/84/33/36/484843336.db2.gz JPSPRZFUBNQEBM-CABCVRRESA-N 1 3 353.511 -0.273 20 0 FBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000420167818 484842939 /nfs/dbraw/zinc/84/29/39/484842939.db2.gz JPSPRZFUBNQEBM-HUUCEWRRSA-N 1 3 353.511 -0.273 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169383 484844971 /nfs/dbraw/zinc/84/49/71/484844971.db2.gz VUCKMSFQIRRZIN-INIZCTEOSA-N 1 3 352.479 -0.018 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420169384 484845124 /nfs/dbraw/zinc/84/51/24/484845124.db2.gz VUCKMSFQIRRZIN-MRXNPFEDSA-N 1 3 352.479 -0.018 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CCN1C1CCN(C)CC1 ZINC000420174338 484849324 /nfs/dbraw/zinc/84/93/24/484849324.db2.gz WRVSDEMYSSXOLL-HLLBOEOZSA-N 1 3 365.522 -0.130 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCN1C1CCN(C)CC1 ZINC000420174340 484849245 /nfs/dbraw/zinc/84/92/45/484849245.db2.gz WRVSDEMYSSXOLL-VYDXJSESSA-N 1 3 365.522 -0.130 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CCN1C1CCN(C)CC1 ZINC000420174341 484848594 /nfs/dbraw/zinc/84/85/94/484848594.db2.gz WRVSDEMYSSXOLL-YQQAZPJKSA-N 1 3 365.522 -0.130 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCN1C1CCN(C)CC1 ZINC000420174342 484848958 /nfs/dbraw/zinc/84/89/58/484848958.db2.gz WRVSDEMYSSXOLL-ZOBUZTSGSA-N 1 3 365.522 -0.130 20 0 FBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420178851 484849058 /nfs/dbraw/zinc/84/90/58/484849058.db2.gz BALJXQGKMCEWSP-HNNXBMFYSA-N 1 3 352.435 -0.336 20 0 FBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420178852 484849448 /nfs/dbraw/zinc/84/94/48/484849448.db2.gz BALJXQGKMCEWSP-OAHLLOKOSA-N 1 3 352.435 -0.336 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420179006 484849491 /nfs/dbraw/zinc/84/94/91/484849491.db2.gz AJDITIXQRYLNOQ-CABCVRRESA-N 1 3 356.467 -0.950 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420179008 484848969 /nfs/dbraw/zinc/84/89/69/484848969.db2.gz AJDITIXQRYLNOQ-GJZGRUSLSA-N 1 3 356.467 -0.950 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420179010 484849018 /nfs/dbraw/zinc/84/90/18/484849018.db2.gz AJDITIXQRYLNOQ-HUUCEWRRSA-N 1 3 356.467 -0.950 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420179012 484849386 /nfs/dbraw/zinc/84/93/86/484849386.db2.gz AJDITIXQRYLNOQ-LSDHHAIUSA-N 1 3 356.467 -0.950 20 0 FBADHO COCCNCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420186786 484852075 /nfs/dbraw/zinc/85/20/75/484852075.db2.gz QNSDBNPPHLCLRM-GDBMZVCRSA-N 1 3 352.479 -0.186 20 0 FBADHO COCCNCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420186786 484852072 /nfs/dbraw/zinc/85/20/72/484852072.db2.gz QNSDBNPPHLCLRM-GDBMZVCRSA-N 1 3 352.479 -0.186 20 0 FBADHO COCCNCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420186788 484852240 /nfs/dbraw/zinc/85/22/40/484852240.db2.gz QNSDBNPPHLCLRM-GOEBONIOSA-N 1 3 352.479 -0.186 20 0 FBADHO COCCNCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420186788 484852234 /nfs/dbraw/zinc/85/22/34/484852234.db2.gz QNSDBNPPHLCLRM-GOEBONIOSA-N 1 3 352.479 -0.186 20 0 FBADHO COCCNCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420186789 484852316 /nfs/dbraw/zinc/85/23/16/484852316.db2.gz QNSDBNPPHLCLRM-HOCLYGCPSA-N 1 3 352.479 -0.186 20 0 FBADHO COCCNCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420186789 484852309 /nfs/dbraw/zinc/85/23/09/484852309.db2.gz QNSDBNPPHLCLRM-HOCLYGCPSA-N 1 3 352.479 -0.186 20 0 FBADHO COCCNCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420186791 484851616 /nfs/dbraw/zinc/85/16/16/484851616.db2.gz QNSDBNPPHLCLRM-ZBFHGGJFSA-N 1 3 352.479 -0.186 20 0 FBADHO COCCNCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420186791 484851608 /nfs/dbraw/zinc/85/16/08/484851608.db2.gz QNSDBNPPHLCLRM-ZBFHGGJFSA-N 1 3 352.479 -0.186 20 0 FBADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000420186801 484851531 /nfs/dbraw/zinc/85/15/31/484851531.db2.gz BEZNXZOLKVIPTL-KRWDZBQOSA-N 1 3 362.474 -0.010 20 0 FBADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000420186803 484852374 /nfs/dbraw/zinc/85/23/74/484852374.db2.gz BEZNXZOLKVIPTL-QGZVFWFLSA-N 1 3 362.474 -0.010 20 0 FBADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420187717 484851578 /nfs/dbraw/zinc/85/15/78/484851578.db2.gz BQVFZYJKMBHZMF-INIZCTEOSA-N 1 3 366.437 -0.180 20 0 FBADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420187718 484851639 /nfs/dbraw/zinc/85/16/39/484851639.db2.gz BQVFZYJKMBHZMF-MRXNPFEDSA-N 1 3 366.437 -0.180 20 0 FBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)o1 ZINC000420188081 484852909 /nfs/dbraw/zinc/85/29/09/484852909.db2.gz MTVNRAOZDIIAOK-INIZCTEOSA-N 1 3 366.462 -0.027 20 0 FBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)o1 ZINC000420188084 484852214 /nfs/dbraw/zinc/85/22/14/484852214.db2.gz MTVNRAOZDIIAOK-MRXNPFEDSA-N 1 3 366.462 -0.027 20 0 FBADHO COCCNCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420188842 484851684 /nfs/dbraw/zinc/85/16/84/484851684.db2.gz SXGFEFRMKFCTJK-HDICACEKSA-N 1 3 374.485 -0.071 20 0 FBADHO COCCNCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420188842 484851676 /nfs/dbraw/zinc/85/16/76/484851676.db2.gz SXGFEFRMKFCTJK-HDICACEKSA-N 1 3 374.485 -0.071 20 0 FBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189876 484852441 /nfs/dbraw/zinc/85/24/41/484852441.db2.gz FGTRVKSAWPIOGT-CYBMUJFWSA-N 1 3 354.476 -0.257 20 0 FBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189877 484851795 /nfs/dbraw/zinc/85/17/95/484851795.db2.gz FGTRVKSAWPIOGT-ZDUSSCGKSA-N 1 3 354.476 -0.257 20 0 FBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420191367 484854288 /nfs/dbraw/zinc/85/42/88/484854288.db2.gz QFNASBDVCUAPLQ-CVEARBPZSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420191368 484854135 /nfs/dbraw/zinc/85/41/35/484854135.db2.gz QFNASBDVCUAPLQ-HOTGVXAUSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420191369 484854020 /nfs/dbraw/zinc/85/40/20/484854020.db2.gz QFNASBDVCUAPLQ-HZPDHXFCSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420191370 484854174 /nfs/dbraw/zinc/85/41/74/484854174.db2.gz QFNASBDVCUAPLQ-JKSUJKDBSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420191979 484853508 /nfs/dbraw/zinc/85/35/08/484853508.db2.gz QMVNUOMVIJRRKN-CVEARBPZSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420191982 484854029 /nfs/dbraw/zinc/85/40/29/484854029.db2.gz QMVNUOMVIJRRKN-HOTGVXAUSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420191985 484854145 /nfs/dbraw/zinc/85/41/45/484854145.db2.gz QMVNUOMVIJRRKN-HZPDHXFCSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420191988 484853629 /nfs/dbraw/zinc/85/36/29/484853629.db2.gz QMVNUOMVIJRRKN-JKSUJKDBSA-N 1 3 352.479 -0.042 20 0 FBADHO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000420193179 484853440 /nfs/dbraw/zinc/85/34/40/484853440.db2.gz ZEXXFOLLZKORQW-UHFFFAOYSA-N 1 3 365.434 -0.909 20 0 FBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420193806 484854095 /nfs/dbraw/zinc/85/40/95/484854095.db2.gz JINHHXVUAOSLSG-AWEZNQCLSA-N 1 3 354.476 -0.257 20 0 FBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420193807 484854127 /nfs/dbraw/zinc/85/41/27/484854127.db2.gz JINHHXVUAOSLSG-CQSZACIVSA-N 1 3 354.476 -0.257 20 0 FBADHO O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420194245 484854270 /nfs/dbraw/zinc/85/42/70/484854270.db2.gz JLICQFHCJUIULN-FGTMMUONSA-N 1 3 372.469 -0.319 20 0 FBADHO O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420194245 484854264 /nfs/dbraw/zinc/85/42/64/484854264.db2.gz JLICQFHCJUIULN-FGTMMUONSA-N 1 3 372.469 -0.319 20 0 FBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420194246 484853742 /nfs/dbraw/zinc/85/37/42/484853742.db2.gz JLICQFHCJUIULN-KSZLIROESA-N 1 3 372.469 -0.319 20 0 FBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420194246 484853738 /nfs/dbraw/zinc/85/37/38/484853738.db2.gz JLICQFHCJUIULN-KSZLIROESA-N 1 3 372.469 -0.319 20 0 FBADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420198837 484855002 /nfs/dbraw/zinc/85/50/02/484855002.db2.gz LQWDUMJBTTXCHK-INIZCTEOSA-N 1 3 366.437 -0.180 20 0 FBADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420198843 484855124 /nfs/dbraw/zinc/85/51/24/484855124.db2.gz LQWDUMJBTTXCHK-MRXNPFEDSA-N 1 3 366.437 -0.180 20 0 FBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)o1 ZINC000420199775 484855210 /nfs/dbraw/zinc/85/52/10/484855210.db2.gz MFEGLYPSTQFRTH-HNNXBMFYSA-N 1 3 352.435 -0.417 20 0 FBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)o1 ZINC000420199780 484855492 /nfs/dbraw/zinc/85/54/92/484855492.db2.gz MFEGLYPSTQFRTH-OAHLLOKOSA-N 1 3 352.435 -0.417 20 0 FBADHO NC1(CNC(=O)C(=O)N2CCNC(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000420205012 484857278 /nfs/dbraw/zinc/85/72/78/484857278.db2.gz MNMMWCYTQWTRBU-UHFFFAOYSA-N 1 3 373.457 -0.946 20 0 FBADHO NC1(CNC(=O)C(=O)N2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420208837 484856649 /nfs/dbraw/zinc/85/66/49/484856649.db2.gz SHQSWDIECWZFIK-UHFFFAOYSA-N 1 3 360.458 -0.045 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420209219 484857002 /nfs/dbraw/zinc/85/70/02/484857002.db2.gz RKUPALGRZFSKLC-KBPBESRZSA-N 1 3 361.446 -0.018 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420209222 484857547 /nfs/dbraw/zinc/85/75/47/484857547.db2.gz RKUPALGRZFSKLC-KGLIPLIRSA-N 1 3 361.446 -0.018 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420209225 484857926 /nfs/dbraw/zinc/85/79/26/484857926.db2.gz RKUPALGRZFSKLC-UONOGXRCSA-N 1 3 361.446 -0.018 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420209227 484856913 /nfs/dbraw/zinc/85/69/13/484856913.db2.gz RKUPALGRZFSKLC-ZIAGYGMSSA-N 1 3 361.446 -0.018 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420210665 484858477 /nfs/dbraw/zinc/85/84/77/484858477.db2.gz SIZTYWAPPOEDMC-CABCVRRESA-N 1 3 367.494 -0.757 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420210667 484858585 /nfs/dbraw/zinc/85/85/85/484858585.db2.gz SIZTYWAPPOEDMC-GJZGRUSLSA-N 1 3 367.494 -0.757 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420210668 484859326 /nfs/dbraw/zinc/85/93/26/484859326.db2.gz SIZTYWAPPOEDMC-HUUCEWRRSA-N 1 3 367.494 -0.757 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420210669 484858717 /nfs/dbraw/zinc/85/87/17/484858717.db2.gz SIZTYWAPPOEDMC-LSDHHAIUSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420213646 484859223 /nfs/dbraw/zinc/85/92/23/484859223.db2.gz YWPWVDSEHXEOSB-HNNXBMFYSA-N 1 3 366.437 -0.180 20 0 FBADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420213649 484858653 /nfs/dbraw/zinc/85/86/53/484858653.db2.gz YWPWVDSEHXEOSB-OAHLLOKOSA-N 1 3 366.437 -0.180 20 0 FBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420214713 484859829 /nfs/dbraw/zinc/85/98/29/484859829.db2.gz ZTUCGJLKNQJAHL-CABCVRRESA-N 1 3 356.467 -0.950 20 0 FBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420214715 484860335 /nfs/dbraw/zinc/86/03/35/484860335.db2.gz ZTUCGJLKNQJAHL-GJZGRUSLSA-N 1 3 356.467 -0.950 20 0 FBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420214716 484860319 /nfs/dbraw/zinc/86/03/19/484860319.db2.gz ZTUCGJLKNQJAHL-HUUCEWRRSA-N 1 3 356.467 -0.950 20 0 FBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420214717 484860038 /nfs/dbraw/zinc/86/00/38/484860038.db2.gz ZTUCGJLKNQJAHL-LSDHHAIUSA-N 1 3 356.467 -0.950 20 0 FBADHO CN1CCN(C(=O)CC[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000420284876 484863130 /nfs/dbraw/zinc/86/31/30/484863130.db2.gz CXRJJGHGQISWDC-INIZCTEOSA-N 1 3 351.495 -0.706 20 0 FBADHO CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000420284876 484863124 /nfs/dbraw/zinc/86/31/24/484863124.db2.gz CXRJJGHGQISWDC-INIZCTEOSA-N 1 3 351.495 -0.706 20 0 FBADHO CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000420284877 484863310 /nfs/dbraw/zinc/86/33/10/484863310.db2.gz CXRJJGHGQISWDC-MRXNPFEDSA-N 1 3 351.495 -0.706 20 0 FBADHO CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000420284877 484863307 /nfs/dbraw/zinc/86/33/07/484863307.db2.gz CXRJJGHGQISWDC-MRXNPFEDSA-N 1 3 351.495 -0.706 20 0 FBADHO CN(CCCNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333956 484863088 /nfs/dbraw/zinc/86/30/88/484863088.db2.gz TZUDEYXQVUMQRB-CABCVRRESA-N 1 3 360.524 -0.294 20 0 FBADHO CN(CCCNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333957 484862918 /nfs/dbraw/zinc/86/29/18/484862918.db2.gz TZUDEYXQVUMQRB-GJZGRUSLSA-N 1 3 360.524 -0.294 20 0 FBADHO CN(CCCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333958 484863630 /nfs/dbraw/zinc/86/36/30/484863630.db2.gz TZUDEYXQVUMQRB-HUUCEWRRSA-N 1 3 360.524 -0.294 20 0 FBADHO CN(CCCNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)S(C)(=O)=O ZINC000420333959 484862432 /nfs/dbraw/zinc/86/24/32/484862432.db2.gz TZUDEYXQVUMQRB-LSDHHAIUSA-N 1 3 360.524 -0.294 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000421247888 484886141 /nfs/dbraw/zinc/88/61/41/484886141.db2.gz KBQBKCCAUZMUQX-DLBZAZTESA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000421247888 484886133 /nfs/dbraw/zinc/88/61/33/484886133.db2.gz KBQBKCCAUZMUQX-DLBZAZTESA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000421247889 484885915 /nfs/dbraw/zinc/88/59/15/484885915.db2.gz KBQBKCCAUZMUQX-IAGOWNOFSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000421247889 484885909 /nfs/dbraw/zinc/88/59/09/484885909.db2.gz KBQBKCCAUZMUQX-IAGOWNOFSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000421247890 484885817 /nfs/dbraw/zinc/88/58/17/484885817.db2.gz KBQBKCCAUZMUQX-IRXDYDNUSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000421247890 484885808 /nfs/dbraw/zinc/88/58/08/484885808.db2.gz KBQBKCCAUZMUQX-IRXDYDNUSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)N1CCN(C)CC1 ZINC000421247891 484886003 /nfs/dbraw/zinc/88/60/03/484886003.db2.gz KBQBKCCAUZMUQX-SJORKVTESA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)N1CCN(C)CC1 ZINC000421247891 484885997 /nfs/dbraw/zinc/88/59/97/484885997.db2.gz KBQBKCCAUZMUQX-SJORKVTESA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423048812 485054272 /nfs/dbraw/zinc/05/42/72/485054272.db2.gz AEAJFXIYWZLEHC-INIZCTEOSA-N 1 3 353.511 -0.461 20 0 FBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423048818 485054098 /nfs/dbraw/zinc/05/40/98/485054098.db2.gz AEAJFXIYWZLEHC-MRXNPFEDSA-N 1 3 353.511 -0.461 20 0 FBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423048827 485054750 /nfs/dbraw/zinc/05/47/50/485054750.db2.gz AEXLMIJFXGNPEP-INIZCTEOSA-N 1 3 353.511 -0.461 20 0 FBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423048829 485054520 /nfs/dbraw/zinc/05/45/20/485054520.db2.gz AEXLMIJFXGNPEP-MRXNPFEDSA-N 1 3 353.511 -0.461 20 0 FBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423065056 485056204 /nfs/dbraw/zinc/05/62/04/485056204.db2.gz SJRZCWWBIJZVQJ-HNNXBMFYSA-N 1 3 369.510 -0.654 20 0 FBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423065057 485055708 /nfs/dbraw/zinc/05/57/08/485055708.db2.gz SJRZCWWBIJZVQJ-OAHLLOKOSA-N 1 3 369.510 -0.654 20 0 FBADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423092414 485059540 /nfs/dbraw/zinc/05/95/40/485059540.db2.gz BUQXAKCNWPOUOA-HNNXBMFYSA-N 1 3 366.437 -0.098 20 0 FBADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423092415 485059499 /nfs/dbraw/zinc/05/94/99/485059499.db2.gz BUQXAKCNWPOUOA-OAHLLOKOSA-N 1 3 366.437 -0.098 20 0 FBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423122499 485059112 /nfs/dbraw/zinc/05/91/12/485059112.db2.gz CMOOAOFRYNNACL-IYBDPMFKSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423122499 485059104 /nfs/dbraw/zinc/05/91/04/485059104.db2.gz CMOOAOFRYNNACL-IYBDPMFKSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423122499 485059096 /nfs/dbraw/zinc/05/90/96/485059096.db2.gz CMOOAOFRYNNACL-IYBDPMFKSA-N 1 3 365.522 -0.176 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)N1 ZINC000423128203 485060240 /nfs/dbraw/zinc/06/02/40/485060240.db2.gz KRYHJKVCVRSKCD-GASCZTMLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)N1 ZINC000423128203 485060232 /nfs/dbraw/zinc/06/02/32/485060232.db2.gz KRYHJKVCVRSKCD-GASCZTMLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)N1 ZINC000423128203 485060224 /nfs/dbraw/zinc/06/02/24/485060224.db2.gz KRYHJKVCVRSKCD-GASCZTMLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)N1 ZINC000423128204 485061012 /nfs/dbraw/zinc/06/10/12/485061012.db2.gz KRYHJKVCVRSKCD-GJZGRUSLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)N1 ZINC000423128204 485061009 /nfs/dbraw/zinc/06/10/09/485061009.db2.gz KRYHJKVCVRSKCD-GJZGRUSLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)N1 ZINC000423128204 485061006 /nfs/dbraw/zinc/06/10/06/485061006.db2.gz KRYHJKVCVRSKCD-GJZGRUSLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@@H](C)N1 ZINC000423128205 485061194 /nfs/dbraw/zinc/06/11/94/485061194.db2.gz KRYHJKVCVRSKCD-HUUCEWRRSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C[C@@H](C)N1 ZINC000423128205 485061190 /nfs/dbraw/zinc/06/11/90/485061190.db2.gz KRYHJKVCVRSKCD-HUUCEWRRSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@@H](C)N1 ZINC000423128205 485061183 /nfs/dbraw/zinc/06/11/83/485061183.db2.gz KRYHJKVCVRSKCD-HUUCEWRRSA-N 1 3 353.511 -0.320 20 0 FBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCNC(C)(C)C1 ZINC000423138589 485060865 /nfs/dbraw/zinc/06/08/65/485060865.db2.gz YAUHSUPSOFBZEX-UHFFFAOYSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCNC(C)(C)C1 ZINC000423138589 485060860 /nfs/dbraw/zinc/06/08/60/485060860.db2.gz YAUHSUPSOFBZEX-UHFFFAOYSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCNC(C)(C)C1 ZINC000423138589 485060856 /nfs/dbraw/zinc/06/08/56/485060856.db2.gz YAUHSUPSOFBZEX-UHFFFAOYSA-N 1 3 353.511 -0.319 20 0 FBADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423160555 485061351 /nfs/dbraw/zinc/06/13/51/485061351.db2.gz ZRKYZJUJIMJZSL-DLBZAZTESA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423160556 485061229 /nfs/dbraw/zinc/06/12/29/485061229.db2.gz ZRKYZJUJIMJZSL-IAGOWNOFSA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423160557 485060373 /nfs/dbraw/zinc/06/03/73/485060373.db2.gz ZRKYZJUJIMJZSL-IRXDYDNUSA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423160558 485060651 /nfs/dbraw/zinc/06/06/51/485060651.db2.gz ZRKYZJUJIMJZSL-SJORKVTESA-N 1 3 363.506 -0.421 20 0 FBADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423160973 485061311 /nfs/dbraw/zinc/06/13/11/485061311.db2.gz IFTIWESXHGAYMF-INIZCTEOSA-N 1 3 366.437 -0.098 20 0 FBADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423160974 485061039 /nfs/dbraw/zinc/06/10/39/485061039.db2.gz IFTIWESXHGAYMF-MRXNPFEDSA-N 1 3 366.437 -0.098 20 0 FBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)o1 ZINC000423171866 485060823 /nfs/dbraw/zinc/06/08/23/485060823.db2.gz QIGVGBXBVXDSJA-HNNXBMFYSA-N 1 3 352.435 -0.336 20 0 FBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)o1 ZINC000423171867 485060832 /nfs/dbraw/zinc/06/08/32/485060832.db2.gz QIGVGBXBVXDSJA-OAHLLOKOSA-N 1 3 352.435 -0.336 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@@]1(C)C[NH3+] ZINC000423202316 485064186 /nfs/dbraw/zinc/06/41/86/485064186.db2.gz APRFNAKRSYOHTE-IIDMSEBBSA-N 1 3 354.495 -0.001 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@@]1(C)C[NH3+] ZINC000423202317 485064075 /nfs/dbraw/zinc/06/40/75/485064075.db2.gz APRFNAKRSYOHTE-RVKKMQEKSA-N 1 3 354.495 -0.001 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423202356 485064560 /nfs/dbraw/zinc/06/45/60/485064560.db2.gz AVPAAHYVTBIZIZ-JYJNAYRXSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423202357 485063663 /nfs/dbraw/zinc/06/36/63/485063663.db2.gz AVPAAHYVTBIZIZ-OAGGEKHMSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423202358 485064486 /nfs/dbraw/zinc/06/44/86/485064486.db2.gz AVPAAHYVTBIZIZ-PMPSAXMXSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423202359 485064237 /nfs/dbraw/zinc/06/42/37/485064237.db2.gz AVPAAHYVTBIZIZ-XHSDSOJGSA-N 1 3 352.479 -0.377 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423206125 485064033 /nfs/dbraw/zinc/06/40/33/485064033.db2.gz CGEOCGWQWQGTJP-HNNXBMFYSA-N 1 3 367.494 -0.757 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423206126 485064004 /nfs/dbraw/zinc/06/40/04/485064004.db2.gz CGEOCGWQWQGTJP-OAHLLOKOSA-N 1 3 367.494 -0.757 20 0 FBADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423209791 485063454 /nfs/dbraw/zinc/06/34/54/485063454.db2.gz VREPZNJMPCQYIS-DZKIICNBSA-N 1 3 352.479 -0.106 20 0 FBADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423209792 485064248 /nfs/dbraw/zinc/06/42/48/485064248.db2.gz VREPZNJMPCQYIS-OFQRWUPVSA-N 1 3 352.479 -0.106 20 0 FBADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423210221 485064423 /nfs/dbraw/zinc/06/44/23/485064423.db2.gz WLRZRMAYPPSHPM-INIZCTEOSA-N 1 3 366.437 -0.098 20 0 FBADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423210222 485063409 /nfs/dbraw/zinc/06/34/09/485063409.db2.gz WLRZRMAYPPSHPM-MRXNPFEDSA-N 1 3 366.437 -0.098 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423210583 485064546 /nfs/dbraw/zinc/06/45/46/485064546.db2.gz KAMFMYPTNCHTHZ-CABCVRRESA-N 1 3 356.467 -0.868 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423210584 485063517 /nfs/dbraw/zinc/06/35/17/485063517.db2.gz KAMFMYPTNCHTHZ-GJZGRUSLSA-N 1 3 356.467 -0.868 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423210585 485063731 /nfs/dbraw/zinc/06/37/31/485063731.db2.gz KAMFMYPTNCHTHZ-HUUCEWRRSA-N 1 3 356.467 -0.868 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423210586 485063625 /nfs/dbraw/zinc/06/36/25/485063625.db2.gz KAMFMYPTNCHTHZ-LSDHHAIUSA-N 1 3 356.467 -0.868 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000423211649 485064195 /nfs/dbraw/zinc/06/41/95/485064195.db2.gz LBAZNLAVDSEIGL-BZUAXINKSA-N 1 3 354.495 -0.001 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000423211650 485063603 /nfs/dbraw/zinc/06/36/03/485063603.db2.gz LBAZNLAVDSEIGL-OAGGEKHMSA-N 1 3 354.495 -0.001 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000423211651 485064413 /nfs/dbraw/zinc/06/44/13/485064413.db2.gz LBAZNLAVDSEIGL-OWCLPIDISA-N 1 3 354.495 -0.001 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000423211652 485064589 /nfs/dbraw/zinc/06/45/89/485064589.db2.gz LBAZNLAVDSEIGL-PMPSAXMXSA-N 1 3 354.495 -0.001 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423211653 485064573 /nfs/dbraw/zinc/06/45/73/485064573.db2.gz LBDBJCKRCRPAPA-CRAIPNDOSA-N 1 3 352.479 -0.232 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423211654 485063487 /nfs/dbraw/zinc/06/34/87/485063487.db2.gz LBDBJCKRCRPAPA-MAUKXSAKSA-N 1 3 352.479 -0.232 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423211655 485063870 /nfs/dbraw/zinc/06/38/70/485063870.db2.gz LBDBJCKRCRPAPA-QAPCUYQASA-N 1 3 352.479 -0.232 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423211656 485064048 /nfs/dbraw/zinc/06/40/48/485064048.db2.gz LBDBJCKRCRPAPA-YJBOKZPZSA-N 1 3 352.479 -0.232 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423213515 660457907 /nfs/dbraw/zinc/45/79/07/660457907.db2.gz NIVZNMUFVHTYST-CRAIPNDOSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423213516 660457889 /nfs/dbraw/zinc/45/78/89/660457889.db2.gz NIVZNMUFVHTYST-MAUKXSAKSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423213517 658805386 /nfs/dbraw/zinc/80/53/86/658805386.db2.gz NIVZNMUFVHTYST-QAPCUYQASA-N 1 3 352.479 -0.090 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423213518 658805903 /nfs/dbraw/zinc/80/59/03/658805903.db2.gz NIVZNMUFVHTYST-YJBOKZPZSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423215313 485063953 /nfs/dbraw/zinc/06/39/53/485063953.db2.gz QJALVVZKNMZBGE-HRCADAONSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423215314 485065689 /nfs/dbraw/zinc/06/56/89/485065689.db2.gz QJALVVZKNMZBGE-JYJNAYRXSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423215315 485065521 /nfs/dbraw/zinc/06/55/21/485065521.db2.gz QJALVVZKNMZBGE-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423215316 485065735 /nfs/dbraw/zinc/06/57/35/485065735.db2.gz QJALVVZKNMZBGE-PMPSAXMXSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423217721 485065216 /nfs/dbraw/zinc/06/52/16/485065216.db2.gz ULKDXDQGUPLZPN-JYJNAYRXSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423217722 485066216 /nfs/dbraw/zinc/06/62/16/485066216.db2.gz ULKDXDQGUPLZPN-OAGGEKHMSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423217723 485066293 /nfs/dbraw/zinc/06/62/93/485066293.db2.gz ULKDXDQGUPLZPN-PMPSAXMXSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423217724 485065748 /nfs/dbraw/zinc/06/57/48/485065748.db2.gz ULKDXDQGUPLZPN-XHSDSOJGSA-N 1 3 352.479 -0.377 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423240642 485066280 /nfs/dbraw/zinc/06/62/80/485066280.db2.gz CMPDZQPTUVNZOD-GOSISDBHSA-N 1 3 367.494 -0.804 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423240644 485065370 /nfs/dbraw/zinc/06/53/70/485065370.db2.gz CMPDZQPTUVNZOD-SFHVURJKSA-N 1 3 367.494 -0.804 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000423246035 485065921 /nfs/dbraw/zinc/06/59/21/485065921.db2.gz JQZDXXQEXGSLFT-UHFFFAOYSA-N 1 3 355.483 -0.933 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423250335 485066262 /nfs/dbraw/zinc/06/62/62/485066262.db2.gz QDSFGVZBFOOTJE-CABCVRRESA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423250336 485066049 /nfs/dbraw/zinc/06/60/49/485066049.db2.gz QDSFGVZBFOOTJE-GJZGRUSLSA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423250411 485066167 /nfs/dbraw/zinc/06/61/67/485066167.db2.gz QDSFGVZBFOOTJE-HUUCEWRRSA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423250414 485065612 /nfs/dbraw/zinc/06/56/12/485065612.db2.gz QDSFGVZBFOOTJE-LSDHHAIUSA-N 1 3 367.494 -0.805 20 0 FBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423251419 485065938 /nfs/dbraw/zinc/06/59/38/485065938.db2.gz SCLOHVLHOQLGAS-UHFFFAOYSA-N 1 3 367.494 -0.804 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423253319 485065679 /nfs/dbraw/zinc/06/56/79/485065679.db2.gz VSUYBRPAGLEHMJ-UHFFFAOYSA-N 1 3 367.494 -0.804 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423254627 485065652 /nfs/dbraw/zinc/06/56/52/485065652.db2.gz YVNXECZTWSXPEC-UHFFFAOYSA-N 1 3 369.510 -0.558 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000423254820 485065318 /nfs/dbraw/zinc/06/53/18/485065318.db2.gz ZOWDCCKUJVJQML-HNNXBMFYSA-N 1 3 367.494 -0.791 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000423254821 485066115 /nfs/dbraw/zinc/06/61/15/485066115.db2.gz ZOWDCCKUJVJQML-OAHLLOKOSA-N 1 3 367.494 -0.791 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423254834 485065951 /nfs/dbraw/zinc/06/59/51/485065951.db2.gz ZRUGXIWKJZHGNY-CABCVRRESA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423254835 485065498 /nfs/dbraw/zinc/06/54/98/485065498.db2.gz ZRUGXIWKJZHGNY-GJZGRUSLSA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423254836 485065306 /nfs/dbraw/zinc/06/53/06/485065306.db2.gz ZRUGXIWKJZHGNY-HUUCEWRRSA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423254837 485065976 /nfs/dbraw/zinc/06/59/76/485065976.db2.gz ZRUGXIWKJZHGNY-LSDHHAIUSA-N 1 3 367.494 -0.805 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423259368 485066789 /nfs/dbraw/zinc/06/67/89/485066789.db2.gz DOUUXIJTBWFGCU-DLBZAZTESA-N 1 3 362.474 -0.024 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423259977 485067815 /nfs/dbraw/zinc/06/78/15/485067815.db2.gz GISBTOPCWGXWLT-CVEARBPZSA-N 1 3 354.495 -0.129 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423259978 485067868 /nfs/dbraw/zinc/06/78/68/485067868.db2.gz GISBTOPCWGXWLT-HOTGVXAUSA-N 1 3 354.495 -0.129 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423259979 485066984 /nfs/dbraw/zinc/06/69/84/485066984.db2.gz GISBTOPCWGXWLT-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423259980 485066726 /nfs/dbraw/zinc/06/67/26/485066726.db2.gz GISBTOPCWGXWLT-JKSUJKDBSA-N 1 3 354.495 -0.129 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423261988 485066746 /nfs/dbraw/zinc/06/67/46/485066746.db2.gz LGVAJIMCDXTPQG-CVEARBPZSA-N 1 3 354.495 -0.129 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423261989 485067675 /nfs/dbraw/zinc/06/76/75/485067675.db2.gz LGVAJIMCDXTPQG-HOTGVXAUSA-N 1 3 354.495 -0.129 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423261990 485067349 /nfs/dbraw/zinc/06/73/49/485067349.db2.gz LGVAJIMCDXTPQG-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423261991 485067981 /nfs/dbraw/zinc/06/79/81/485067981.db2.gz LGVAJIMCDXTPQG-JKSUJKDBSA-N 1 3 354.495 -0.129 20 0 FBADHO CN(CCN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1)Cc1ccccc1 ZINC000423268219 485067708 /nfs/dbraw/zinc/06/77/08/485067708.db2.gz ULRJCXZODRXGDA-UHFFFAOYSA-N 1 3 361.490 -0.320 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423269001 485067992 /nfs/dbraw/zinc/06/79/92/485067992.db2.gz VMBGKQNWHYKXOF-INIZCTEOSA-N 1 3 354.495 -0.129 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423269004 485066665 /nfs/dbraw/zinc/06/66/65/485066665.db2.gz VMBGKQNWHYKXOF-MRXNPFEDSA-N 1 3 354.495 -0.129 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423270816 485069890 /nfs/dbraw/zinc/06/98/90/485069890.db2.gz WYRVXUZKLPUGRV-HNNXBMFYSA-N 1 3 358.483 -0.621 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423270817 485069765 /nfs/dbraw/zinc/06/97/65/485069765.db2.gz WYRVXUZKLPUGRV-OAHLLOKOSA-N 1 3 358.483 -0.621 20 0 FBADHO CN(CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271494 485068612 /nfs/dbraw/zinc/06/86/12/485068612.db2.gz XUIXWDDJDWDHSH-GOSISDBHSA-N 1 3 373.501 -0.178 20 0 FBADHO CN(CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271495 485069916 /nfs/dbraw/zinc/06/99/16/485069916.db2.gz XUIXWDDJDWDHSH-SFHVURJKSA-N 1 3 373.501 -0.178 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423271780 485069277 /nfs/dbraw/zinc/06/92/77/485069277.db2.gz YEPZXIIAADDXNV-CVEARBPZSA-N 1 3 354.495 -0.129 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423271783 485069697 /nfs/dbraw/zinc/06/96/97/485069697.db2.gz YEPZXIIAADDXNV-HOTGVXAUSA-N 1 3 354.495 -0.129 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423271785 485069352 /nfs/dbraw/zinc/06/93/52/485069352.db2.gz YEPZXIIAADDXNV-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423271787 485069209 /nfs/dbraw/zinc/06/92/09/485069209.db2.gz YEPZXIIAADDXNV-JKSUJKDBSA-N 1 3 354.495 -0.129 20 0 FBADHO CN(C)Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000423288048 485073344 /nfs/dbraw/zinc/07/33/44/485073344.db2.gz QDJZWXKVGITYES-MRXNPFEDSA-N 1 3 374.489 -0.259 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423367284 485077917 /nfs/dbraw/zinc/07/79/17/485077917.db2.gz ACOCMMOEWKYPDH-IBGZPJMESA-N 1 3 373.457 -0.049 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423367285 485077763 /nfs/dbraw/zinc/07/77/63/485077763.db2.gz ACOCMMOEWKYPDH-LJQANCHMSA-N 1 3 373.457 -0.049 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423367967 485078173 /nfs/dbraw/zinc/07/81/73/485078173.db2.gz AWTMSEUXPSREFC-OKILXGFUSA-N 1 3 359.430 -0.583 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423369045 485077337 /nfs/dbraw/zinc/07/73/37/485077337.db2.gz BQFURFTWKSGHIJ-CABCVRRESA-N 1 3 373.457 -0.193 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423369047 485077714 /nfs/dbraw/zinc/07/77/14/485077714.db2.gz BQFURFTWKSGHIJ-GJZGRUSLSA-N 1 3 373.457 -0.193 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423369049 485078085 /nfs/dbraw/zinc/07/80/85/485078085.db2.gz BQFURFTWKSGHIJ-HUUCEWRRSA-N 1 3 373.457 -0.193 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423369050 485078047 /nfs/dbraw/zinc/07/80/47/485078047.db2.gz BQFURFTWKSGHIJ-LSDHHAIUSA-N 1 3 373.457 -0.193 20 0 FBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423369454 485077396 /nfs/dbraw/zinc/07/73/96/485077396.db2.gz CFAMLWNPEOQAQQ-HNNXBMFYSA-N 1 3 353.511 -0.319 20 0 FBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000423369455 485077541 /nfs/dbraw/zinc/07/75/41/485077541.db2.gz CFAMLWNPEOQAQQ-OAHLLOKOSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423369831 485077933 /nfs/dbraw/zinc/07/79/33/485077933.db2.gz OXEMKILGVNVKAV-CYBMUJFWSA-N 1 3 354.476 -0.176 20 0 FBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423369832 485077904 /nfs/dbraw/zinc/07/79/04/485077904.db2.gz OXEMKILGVNVKAV-ZDUSSCGKSA-N 1 3 354.476 -0.176 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423370449 485077820 /nfs/dbraw/zinc/07/78/20/485077820.db2.gz DLMQKVKRKNMGAH-GOSISDBHSA-N 1 3 361.446 -0.064 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423370450 485078154 /nfs/dbraw/zinc/07/81/54/485078154.db2.gz DLMQKVKRKNMGAH-SFHVURJKSA-N 1 3 361.446 -0.064 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423375330 485079854 /nfs/dbraw/zinc/07/98/54/485079854.db2.gz IQESSXOIMBKDCP-KBPBESRZSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423375331 485080370 /nfs/dbraw/zinc/08/03/70/485080370.db2.gz IQESSXOIMBKDCP-KGLIPLIRSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423375332 485080931 /nfs/dbraw/zinc/08/09/31/485080931.db2.gz IQESSXOIMBKDCP-UONOGXRCSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423375333 485080139 /nfs/dbraw/zinc/08/01/39/485080139.db2.gz IQESSXOIMBKDCP-ZIAGYGMSSA-N 1 3 361.446 -0.066 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1C1CCN(C)CC1 ZINC000423375338 485080525 /nfs/dbraw/zinc/08/05/25/485080525.db2.gz IQLRQBULAQMTSO-CABCVRRESA-N 1 3 351.495 -0.437 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCN1C1CCN(C)CC1 ZINC000423375339 485080039 /nfs/dbraw/zinc/08/00/39/485080039.db2.gz IQLRQBULAQMTSO-GJZGRUSLSA-N 1 3 351.495 -0.437 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCN1C1CCN(C)CC1 ZINC000423375340 485080250 /nfs/dbraw/zinc/08/02/50/485080250.db2.gz IQLRQBULAQMTSO-HUUCEWRRSA-N 1 3 351.495 -0.437 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCN1C1CCN(C)CC1 ZINC000423375341 485080809 /nfs/dbraw/zinc/08/08/09/485080809.db2.gz IQLRQBULAQMTSO-LSDHHAIUSA-N 1 3 351.495 -0.437 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423377826 485079981 /nfs/dbraw/zinc/07/99/81/485079981.db2.gz KMSORAOEIOFYSG-CABCVRRESA-N 1 3 373.457 -0.193 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423377827 485080048 /nfs/dbraw/zinc/08/00/48/485080048.db2.gz KMSORAOEIOFYSG-GJZGRUSLSA-N 1 3 373.457 -0.193 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423377828 485080692 /nfs/dbraw/zinc/08/06/92/485080692.db2.gz KMSORAOEIOFYSG-HUUCEWRRSA-N 1 3 373.457 -0.193 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423377829 485079946 /nfs/dbraw/zinc/07/99/46/485079946.db2.gz KMSORAOEIOFYSG-LSDHHAIUSA-N 1 3 373.457 -0.193 20 0 FBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000423379624 485080454 /nfs/dbraw/zinc/08/04/54/485080454.db2.gz MFMPKZYNRMKUBN-AWEZNQCLSA-N 1 3 361.446 -0.051 20 0 FBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000423379626 485080467 /nfs/dbraw/zinc/08/04/67/485080467.db2.gz MFMPKZYNRMKUBN-CQSZACIVSA-N 1 3 361.446 -0.051 20 0 FBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)C1 ZINC000423381019 485080943 /nfs/dbraw/zinc/08/09/43/485080943.db2.gz NCDVGCOUAVLPAU-CVEARBPZSA-N 1 3 365.522 -0.176 20 0 FBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000423381020 485080432 /nfs/dbraw/zinc/08/04/32/485080432.db2.gz NCDVGCOUAVLPAU-HOTGVXAUSA-N 1 3 365.522 -0.176 20 0 FBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)C1 ZINC000423381021 485080130 /nfs/dbraw/zinc/08/01/30/485080130.db2.gz NCDVGCOUAVLPAU-HZPDHXFCSA-N 1 3 365.522 -0.176 20 0 FBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000423381022 485080745 /nfs/dbraw/zinc/08/07/45/485080745.db2.gz NCDVGCOUAVLPAU-JKSUJKDBSA-N 1 3 365.522 -0.176 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423381601 485080182 /nfs/dbraw/zinc/08/01/82/485080182.db2.gz NUPNZFQHHMJCEB-KBPBESRZSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423381602 485080756 /nfs/dbraw/zinc/08/07/56/485080756.db2.gz NUPNZFQHHMJCEB-KGLIPLIRSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423381603 485080314 /nfs/dbraw/zinc/08/03/14/485080314.db2.gz NUPNZFQHHMJCEB-UONOGXRCSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423381604 485080889 /nfs/dbraw/zinc/08/08/89/485080889.db2.gz NUPNZFQHHMJCEB-ZIAGYGMSSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423385846 485079816 /nfs/dbraw/zinc/07/98/16/485079816.db2.gz REWUSXRTTWDQCF-CABCVRRESA-N 1 3 373.457 -0.051 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423385847 485080421 /nfs/dbraw/zinc/08/04/21/485080421.db2.gz REWUSXRTTWDQCF-GJZGRUSLSA-N 1 3 373.457 -0.051 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423385848 485080497 /nfs/dbraw/zinc/08/04/97/485080497.db2.gz REWUSXRTTWDQCF-HUUCEWRRSA-N 1 3 373.457 -0.051 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423385849 485080951 /nfs/dbraw/zinc/08/09/51/485080951.db2.gz REWUSXRTTWDQCF-LSDHHAIUSA-N 1 3 373.457 -0.051 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCN(C)CC1 ZINC000423386928 485080077 /nfs/dbraw/zinc/08/00/77/485080077.db2.gz SCZZTIOTIUYJRR-HRCADAONSA-N 1 3 363.506 -0.709 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1C1CCN(C)CC1 ZINC000423386929 485080156 /nfs/dbraw/zinc/08/01/56/485080156.db2.gz SCZZTIOTIUYJRR-OAGGEKHMSA-N 1 3 363.506 -0.709 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423390490 485081448 /nfs/dbraw/zinc/08/14/48/485081448.db2.gz WDHGIXMGCHZIKK-UHFFFAOYSA-N 1 3 361.446 -0.064 20 0 FBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)C1 ZINC000423390915 485081658 /nfs/dbraw/zinc/08/16/58/485081658.db2.gz WMMDQBFAEDMZCF-CABCVRRESA-N 1 3 351.495 -0.566 20 0 FBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000423390916 485081753 /nfs/dbraw/zinc/08/17/53/485081753.db2.gz WMMDQBFAEDMZCF-GJZGRUSLSA-N 1 3 351.495 -0.566 20 0 FBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)C1 ZINC000423390917 485082046 /nfs/dbraw/zinc/08/20/46/485082046.db2.gz WMMDQBFAEDMZCF-HUUCEWRRSA-N 1 3 351.495 -0.566 20 0 FBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000423390918 485081894 /nfs/dbraw/zinc/08/18/94/485081894.db2.gz WMMDQBFAEDMZCF-LSDHHAIUSA-N 1 3 351.495 -0.566 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)C[C@@H]1[NH3+] ZINC000423390919 485081611 /nfs/dbraw/zinc/08/16/11/485081611.db2.gz WMQBYEFDEXSGTC-FMKPAKJESA-N 1 3 351.495 -0.581 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000423390920 485081403 /nfs/dbraw/zinc/08/14/03/485081403.db2.gz WMQBYEFDEXSGTC-IIAWOOMASA-N 1 3 351.495 -0.581 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000423390921 485082093 /nfs/dbraw/zinc/08/20/93/485082093.db2.gz WMQBYEFDEXSGTC-IJEWVQPXSA-N 1 3 351.495 -0.581 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000423390922 485082495 /nfs/dbraw/zinc/08/24/95/485082495.db2.gz WMQBYEFDEXSGTC-YCPHGPKFSA-N 1 3 351.495 -0.581 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423500207 485085400 /nfs/dbraw/zinc/08/54/00/485085400.db2.gz IJGJRLOZDLOXLJ-AWEZNQCLSA-N 1 3 355.483 -0.902 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423500222 485085514 /nfs/dbraw/zinc/08/55/14/485085514.db2.gz IJGJRLOZDLOXLJ-CQSZACIVSA-N 1 3 355.483 -0.902 20 0 FBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000423504233 485085373 /nfs/dbraw/zinc/08/53/73/485085373.db2.gz FUHHJXYACBNAFN-AWEZNQCLSA-N 1 3 367.494 -0.805 20 0 FBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000423504236 485085773 /nfs/dbraw/zinc/08/57/73/485085773.db2.gz FUHHJXYACBNAFN-CQSZACIVSA-N 1 3 367.494 -0.805 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423558265 485093097 /nfs/dbraw/zinc/09/30/97/485093097.db2.gz CTGMFHKDOMHCSZ-MDYRTPRTSA-N 1 3 374.485 -0.113 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC000423558268 485092837 /nfs/dbraw/zinc/09/28/37/485092837.db2.gz CTGMFHKDOMHCSZ-OXFYSEKESA-N 1 3 374.485 -0.113 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC000423558269 485092911 /nfs/dbraw/zinc/09/29/11/485092911.db2.gz CTGMFHKDOMHCSZ-SYNHAJSKSA-N 1 3 374.485 -0.113 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1[NH3+] ZINC000423558270 485092880 /nfs/dbraw/zinc/09/28/80/485092880.db2.gz CTGMFHKDOMHCSZ-WRWLIDTKSA-N 1 3 374.485 -0.113 20 0 FBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000423558883 485092011 /nfs/dbraw/zinc/09/20/11/485092011.db2.gz DKJQLRCVTIAPIU-FXAWDEMLSA-N 1 3 374.485 -0.098 20 0 FBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000423558890 485094297 /nfs/dbraw/zinc/09/42/97/485094297.db2.gz DKJQLRCVTIAPIU-PXNSSMCTSA-N 1 3 374.485 -0.098 20 0 FBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000423558892 485093792 /nfs/dbraw/zinc/09/37/92/485093792.db2.gz DKJQLRCVTIAPIU-XLIONFOSSA-N 1 3 374.485 -0.098 20 0 FBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000423558894 485094226 /nfs/dbraw/zinc/09/42/26/485094226.db2.gz DKJQLRCVTIAPIU-YLJYHZDGSA-N 1 3 374.485 -0.098 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423566227 485095177 /nfs/dbraw/zinc/09/51/77/485095177.db2.gz JVQPHGDRMNLQFP-APWZRJJASA-N 1 3 360.458 -0.359 20 0 FBADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423566228 485095386 /nfs/dbraw/zinc/09/53/86/485095386.db2.gz JVQPHGDRMNLQFP-LPHOPBHVSA-N 1 3 360.458 -0.359 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423566229 485095057 /nfs/dbraw/zinc/09/50/57/485095057.db2.gz JVQPHGDRMNLQFP-QFBILLFUSA-N 1 3 360.458 -0.359 20 0 FBADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423566230 485095518 /nfs/dbraw/zinc/09/55/18/485095518.db2.gz JVQPHGDRMNLQFP-VQIMIIECSA-N 1 3 360.458 -0.359 20 0 FBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000423577985 485097770 /nfs/dbraw/zinc/09/77/70/485097770.db2.gz JNTIZJOHMPGRHH-HNNXBMFYSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000423577986 485097597 /nfs/dbraw/zinc/09/75/97/485097597.db2.gz JNTIZJOHMPGRHH-OAHLLOKOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000423578151 485097729 /nfs/dbraw/zinc/09/77/29/485097729.db2.gz KLENHRZDZZEFEM-AWEZNQCLSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000423578152 485097530 /nfs/dbraw/zinc/09/75/30/485097530.db2.gz KLENHRZDZZEFEM-CQSZACIVSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000423579327 485097655 /nfs/dbraw/zinc/09/76/55/485097655.db2.gz OBMTVZJRXGRVDC-HNNXBMFYSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1 ZINC000423579328 485097909 /nfs/dbraw/zinc/09/79/09/485097909.db2.gz OBMTVZJRXGRVDC-OAHLLOKOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423584106 485099178 /nfs/dbraw/zinc/09/91/78/485099178.db2.gz BOHUJIMSICGESP-AWEZNQCLSA-N 1 3 354.476 -0.176 20 0 FBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423584107 485098390 /nfs/dbraw/zinc/09/83/90/485098390.db2.gz BOHUJIMSICGESP-CQSZACIVSA-N 1 3 354.476 -0.176 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000423589770 485098326 /nfs/dbraw/zinc/09/83/26/485098326.db2.gz HOAJBAQQDLTYLO-HNNXBMFYSA-N 1 3 367.494 -0.791 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000423589771 485098785 /nfs/dbraw/zinc/09/87/85/485098785.db2.gz HOAJBAQQDLTYLO-OAHLLOKOSA-N 1 3 367.494 -0.791 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423590367 485099115 /nfs/dbraw/zinc/09/91/15/485099115.db2.gz IHGYJBMHBFHKOV-DOTOQJQBSA-N 1 3 365.522 -0.176 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000423590369 485099107 /nfs/dbraw/zinc/09/91/07/485099107.db2.gz IHGYJBMHBFHKOV-NVXWUHKLSA-N 1 3 365.522 -0.176 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423590371 485099067 /nfs/dbraw/zinc/09/90/67/485099067.db2.gz IHGYJBMHBFHKOV-RDJZCZTQSA-N 1 3 365.522 -0.176 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000423590373 485098374 /nfs/dbraw/zinc/09/83/74/485098374.db2.gz IHGYJBMHBFHKOV-WBVHZDCISA-N 1 3 365.522 -0.176 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000423597797 485099885 /nfs/dbraw/zinc/09/98/85/485099885.db2.gz UWVGOPKOVZRMQW-AWEZNQCLSA-N 1 3 361.446 -0.051 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000423597798 485100004 /nfs/dbraw/zinc/10/00/04/485100004.db2.gz UWVGOPKOVZRMQW-CQSZACIVSA-N 1 3 361.446 -0.051 20 0 FBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599177 485101392 /nfs/dbraw/zinc/10/13/92/485101392.db2.gz WYDITMSBLWGKMO-CABCVRRESA-N 1 3 367.494 -0.759 20 0 FBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599178 485100998 /nfs/dbraw/zinc/10/09/98/485100998.db2.gz WYDITMSBLWGKMO-GJZGRUSLSA-N 1 3 367.494 -0.759 20 0 FBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599179 485101205 /nfs/dbraw/zinc/10/12/05/485101205.db2.gz WYDITMSBLWGKMO-HUUCEWRRSA-N 1 3 367.494 -0.759 20 0 FBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000423599180 485101309 /nfs/dbraw/zinc/10/13/09/485101309.db2.gz WYDITMSBLWGKMO-LSDHHAIUSA-N 1 3 367.494 -0.759 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CCCNCC2)CCN1C1CC[NH+](C)CC1 ZINC000423600038 485101492 /nfs/dbraw/zinc/10/14/92/485101492.db2.gz AEGGYSVJHILTIB-HNNXBMFYSA-N 1 3 351.495 -0.565 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)CCN1C1CC[NH+](C)CC1 ZINC000423600040 485101414 /nfs/dbraw/zinc/10/14/14/485101414.db2.gz AEGGYSVJHILTIB-OAHLLOKOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCNCC1 ZINC000423612985 485104790 /nfs/dbraw/zinc/10/47/90/485104790.db2.gz QKKFAFJVCBJGKG-FQEVSTJZSA-N 1 3 374.485 -0.096 20 0 FBADHO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCNCC1 ZINC000423612985 485104786 /nfs/dbraw/zinc/10/47/86/485104786.db2.gz QKKFAFJVCBJGKG-FQEVSTJZSA-N 1 3 374.485 -0.096 20 0 FBADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCNCC1 ZINC000423612986 485103913 /nfs/dbraw/zinc/10/39/13/485103913.db2.gz QKKFAFJVCBJGKG-HXUWFJFHSA-N 1 3 374.485 -0.096 20 0 FBADHO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCNCC1 ZINC000423612986 485103908 /nfs/dbraw/zinc/10/39/08/485103908.db2.gz QKKFAFJVCBJGKG-HXUWFJFHSA-N 1 3 374.485 -0.096 20 0 FBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423619010 485106202 /nfs/dbraw/zinc/10/62/02/485106202.db2.gz ZTGGCCOZTBRJJZ-INIZCTEOSA-N 1 3 351.495 -0.563 20 0 FBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423619010 485106199 /nfs/dbraw/zinc/10/61/99/485106199.db2.gz ZTGGCCOZTBRJJZ-INIZCTEOSA-N 1 3 351.495 -0.563 20 0 FBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423619013 485105245 /nfs/dbraw/zinc/10/52/45/485105245.db2.gz ZTGGCCOZTBRJJZ-MRXNPFEDSA-N 1 3 351.495 -0.563 20 0 FBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423619013 485105241 /nfs/dbraw/zinc/10/52/41/485105241.db2.gz ZTGGCCOZTBRJJZ-MRXNPFEDSA-N 1 3 351.495 -0.563 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423620091 485105480 /nfs/dbraw/zinc/10/54/80/485105480.db2.gz JCYSTLIKIQRNSV-HNNXBMFYSA-N 1 3 367.494 -0.661 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423620095 485105891 /nfs/dbraw/zinc/10/58/91/485105891.db2.gz JCYSTLIKIQRNSV-OAHLLOKOSA-N 1 3 367.494 -0.661 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000423626869 485107633 /nfs/dbraw/zinc/10/76/33/485107633.db2.gz SYGXJWDQXMTDMY-DOTOQJQBSA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000423626871 485106679 /nfs/dbraw/zinc/10/66/79/485106679.db2.gz SYGXJWDQXMTDMY-NVXWUHKLSA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000423626872 485107270 /nfs/dbraw/zinc/10/72/70/485107270.db2.gz SYGXJWDQXMTDMY-RDJZCZTQSA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000423626873 485107349 /nfs/dbraw/zinc/10/73/49/485107349.db2.gz SYGXJWDQXMTDMY-WBVHZDCISA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)[C@@H](C)CN1 ZINC000423633950 485108609 /nfs/dbraw/zinc/10/86/09/485108609.db2.gz PTLMJANKHDLQFX-CABCVRRESA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)[C@@H](C)CN1 ZINC000423633950 485108605 /nfs/dbraw/zinc/10/86/05/485108605.db2.gz PTLMJANKHDLQFX-CABCVRRESA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000423633950 485108601 /nfs/dbraw/zinc/10/86/01/485108601.db2.gz PTLMJANKHDLQFX-CABCVRRESA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)[C@@H](C)CN1 ZINC000423633951 485109339 /nfs/dbraw/zinc/10/93/39/485109339.db2.gz PTLMJANKHDLQFX-GJZGRUSLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)[C@@H](C)CN1 ZINC000423633951 485109335 /nfs/dbraw/zinc/10/93/35/485109335.db2.gz PTLMJANKHDLQFX-GJZGRUSLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000423633951 485109330 /nfs/dbraw/zinc/10/93/30/485109330.db2.gz PTLMJANKHDLQFX-GJZGRUSLSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)[C@H](C)CN1 ZINC000423633952 485108920 /nfs/dbraw/zinc/10/89/20/485108920.db2.gz PTLMJANKHDLQFX-HUUCEWRRSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)[C@H](C)CN1 ZINC000423633952 485108916 /nfs/dbraw/zinc/10/89/16/485108916.db2.gz PTLMJANKHDLQFX-HUUCEWRRSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[C@H](C)CN1 ZINC000423633952 485108911 /nfs/dbraw/zinc/10/89/11/485108911.db2.gz PTLMJANKHDLQFX-HUUCEWRRSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000423633953 485108185 /nfs/dbraw/zinc/10/81/85/485108185.db2.gz PTLMJANKHDLQFX-LSDHHAIUSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000423633953 485108177 /nfs/dbraw/zinc/10/81/77/485108177.db2.gz PTLMJANKHDLQFX-LSDHHAIUSA-N 1 3 353.511 -0.320 20 0 FBADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423633953 485108172 /nfs/dbraw/zinc/10/81/72/485108172.db2.gz PTLMJANKHDLQFX-LSDHHAIUSA-N 1 3 353.511 -0.320 20 0 FBADHO CN(CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2)CC[NH+](C)C ZINC000423634706 485109294 /nfs/dbraw/zinc/10/92/94/485109294.db2.gz NQPDBHAKPLMJHQ-IYBDPMFKSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423634706 485109287 /nfs/dbraw/zinc/10/92/87/485109287.db2.gz NQPDBHAKPLMJHQ-IYBDPMFKSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423634706 485109282 /nfs/dbraw/zinc/10/92/82/485109282.db2.gz NQPDBHAKPLMJHQ-IYBDPMFKSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000423642627 485109992 /nfs/dbraw/zinc/10/99/92/485109992.db2.gz IGUILXSUEFQDNZ-GDBMZVCRSA-N 1 3 351.495 -0.437 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000423642631 485110047 /nfs/dbraw/zinc/11/00/47/485110047.db2.gz IGUILXSUEFQDNZ-GOEBONIOSA-N 1 3 351.495 -0.437 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000423642635 485110538 /nfs/dbraw/zinc/11/05/38/485110538.db2.gz IGUILXSUEFQDNZ-HOCLYGCPSA-N 1 3 351.495 -0.437 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])CCN1C1CCN(C)CC1 ZINC000423642638 485110260 /nfs/dbraw/zinc/11/02/60/485110260.db2.gz IGUILXSUEFQDNZ-ZBFHGGJFSA-N 1 3 351.495 -0.437 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423648833 485111295 /nfs/dbraw/zinc/11/12/95/485111295.db2.gz JBKVYWSTGMMLIP-CABCVRRESA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423648835 485111951 /nfs/dbraw/zinc/11/19/51/485111951.db2.gz JBKVYWSTGMMLIP-GJZGRUSLSA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423648838 485112084 /nfs/dbraw/zinc/11/20/84/485112084.db2.gz JBKVYWSTGMMLIP-HUUCEWRRSA-N 1 3 367.494 -0.805 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423648841 485111802 /nfs/dbraw/zinc/11/18/02/485111802.db2.gz JBKVYWSTGMMLIP-LSDHHAIUSA-N 1 3 367.494 -0.805 20 0 FBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423649537 485111241 /nfs/dbraw/zinc/11/12/41/485111241.db2.gz POTJPLNUGRPQTL-BRWVUGGUSA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423649538 485111120 /nfs/dbraw/zinc/11/11/20/485111120.db2.gz POTJPLNUGRPQTL-IXDOHACOSA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423649538 485111114 /nfs/dbraw/zinc/11/11/14/485111114.db2.gz POTJPLNUGRPQTL-IXDOHACOSA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000423657328 485112860 /nfs/dbraw/zinc/11/28/60/485112860.db2.gz VUQLVDOSDQZHOS-BZUAXINKSA-N 1 3 365.522 -0.191 20 0 FBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000423657330 485112658 /nfs/dbraw/zinc/11/26/58/485112658.db2.gz VUQLVDOSDQZHOS-OAGGEKHMSA-N 1 3 365.522 -0.191 20 0 FBADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423657333 485112593 /nfs/dbraw/zinc/11/25/93/485112593.db2.gz VUQLVDOSDQZHOS-OWCLPIDISA-N 1 3 365.522 -0.191 20 0 FBADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000423657335 485113406 /nfs/dbraw/zinc/11/34/06/485113406.db2.gz VUQLVDOSDQZHOS-PMPSAXMXSA-N 1 3 365.522 -0.191 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423658883 485114029 /nfs/dbraw/zinc/11/40/29/485114029.db2.gz DOZMDBOLCMXILC-HNNXBMFYSA-N 1 3 367.494 -0.615 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423658884 485114131 /nfs/dbraw/zinc/11/41/31/485114131.db2.gz DOZMDBOLCMXILC-OAHLLOKOSA-N 1 3 367.494 -0.615 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423659203 485114045 /nfs/dbraw/zinc/11/40/45/485114045.db2.gz YZQSYGSIPUXRCB-KBPBESRZSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423659205 485114165 /nfs/dbraw/zinc/11/41/65/485114165.db2.gz YZQSYGSIPUXRCB-KGLIPLIRSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423659207 485114501 /nfs/dbraw/zinc/11/45/01/485114501.db2.gz YZQSYGSIPUXRCB-UONOGXRCSA-N 1 3 361.446 -0.066 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423659209 485114453 /nfs/dbraw/zinc/11/44/53/485114453.db2.gz YZQSYGSIPUXRCB-ZIAGYGMSSA-N 1 3 361.446 -0.066 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423684572 485118456 /nfs/dbraw/zinc/11/84/56/485118456.db2.gz UTPOXBLGKKTCHU-CABCVRRESA-N 1 3 367.494 -0.615 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423684573 485118242 /nfs/dbraw/zinc/11/82/42/485118242.db2.gz UTPOXBLGKKTCHU-GJZGRUSLSA-N 1 3 367.494 -0.615 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423684574 485118699 /nfs/dbraw/zinc/11/86/99/485118699.db2.gz UTPOXBLGKKTCHU-HUUCEWRRSA-N 1 3 367.494 -0.615 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423684576 485117982 /nfs/dbraw/zinc/11/79/82/485117982.db2.gz UTPOXBLGKKTCHU-LSDHHAIUSA-N 1 3 367.494 -0.615 20 0 FBADHO CN(CCCN(C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccco1 ZINC000423689198 485119627 /nfs/dbraw/zinc/11/96/27/485119627.db2.gz CDICXSXHNIXDJO-HNNXBMFYSA-N 1 3 352.435 -0.254 20 0 FBADHO CN(CCCN(C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccco1 ZINC000423689199 485119386 /nfs/dbraw/zinc/11/93/86/485119386.db2.gz CDICXSXHNIXDJO-OAHLLOKOSA-N 1 3 352.435 -0.254 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423689624 485119518 /nfs/dbraw/zinc/11/95/18/485119518.db2.gz XWEKYASTQZVEMS-HNNXBMFYSA-N 1 3 367.494 -0.613 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423689626 485119328 /nfs/dbraw/zinc/11/93/28/485119328.db2.gz XWEKYASTQZVEMS-OAHLLOKOSA-N 1 3 367.494 -0.613 20 0 FBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC2)CC1 ZINC000423694774 485121086 /nfs/dbraw/zinc/12/10/86/485121086.db2.gz BFJSKJUEJUWDNN-HNNXBMFYSA-N 1 3 353.511 -0.191 20 0 FBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC2)CC1 ZINC000423694778 485121047 /nfs/dbraw/zinc/12/10/47/485121047.db2.gz BFJSKJUEJUWDNN-OAHLLOKOSA-N 1 3 353.511 -0.191 20 0 FBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000423704689 485122453 /nfs/dbraw/zinc/12/24/53/485122453.db2.gz MWXLBBYKMRJBQB-BEFAXECRSA-N 1 3 362.474 -0.113 20 0 FBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000423704691 485122170 /nfs/dbraw/zinc/12/21/70/485122170.db2.gz MWXLBBYKMRJBQB-DNVCBOLYSA-N 1 3 362.474 -0.113 20 0 FBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000423704692 485122115 /nfs/dbraw/zinc/12/21/15/485122115.db2.gz MWXLBBYKMRJBQB-HNAYVOBHSA-N 1 3 362.474 -0.113 20 0 FBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000423704694 485122157 /nfs/dbraw/zinc/12/21/57/485122157.db2.gz MWXLBBYKMRJBQB-KXBFYZLASA-N 1 3 362.474 -0.113 20 0 FBADHO CN(CC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000423711435 485122437 /nfs/dbraw/zinc/12/24/37/485122437.db2.gz RQERIRXOGVYTDR-GOSISDBHSA-N 1 3 373.501 -0.178 20 0 FBADHO CN(CC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000423711437 485122096 /nfs/dbraw/zinc/12/20/96/485122096.db2.gz RQERIRXOGVYTDR-SFHVURJKSA-N 1 3 373.501 -0.178 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423717125 485123278 /nfs/dbraw/zinc/12/32/78/485123278.db2.gz JRKXXZYDJMUMRX-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423717125 485123272 /nfs/dbraw/zinc/12/32/72/485123272.db2.gz JRKXXZYDJMUMRX-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423717125 485123267 /nfs/dbraw/zinc/12/32/67/485123267.db2.gz JRKXXZYDJMUMRX-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000423717126 485123643 /nfs/dbraw/zinc/12/36/43/485123643.db2.gz JRKXXZYDJMUMRX-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000423717126 485123641 /nfs/dbraw/zinc/12/36/41/485123641.db2.gz JRKXXZYDJMUMRX-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423717126 485123636 /nfs/dbraw/zinc/12/36/36/485123636.db2.gz JRKXXZYDJMUMRX-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1C1CCN(C)CC1 ZINC000423724847 485125861 /nfs/dbraw/zinc/12/58/61/485125861.db2.gz IRDLRQWMZNHLGV-INMHGKMJSA-N 1 3 363.506 -0.566 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1C1CCN(C)CC1 ZINC000423724850 485126174 /nfs/dbraw/zinc/12/61/74/485126174.db2.gz IRDLRQWMZNHLGV-UXLLHSPISA-N 1 3 363.506 -0.566 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423726561 485125998 /nfs/dbraw/zinc/12/59/98/485125998.db2.gz KDTCIOUSNQEVNK-HIFRSBDPSA-N 1 3 359.430 -0.441 20 0 FBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423730465 485127377 /nfs/dbraw/zinc/12/73/77/485127377.db2.gz YCKPCVSKGKCLIH-BZUAXINKSA-N 1 3 353.511 -0.191 20 0 FBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423730466 485127127 /nfs/dbraw/zinc/12/71/27/485127127.db2.gz YCKPCVSKGKCLIH-HRCADAONSA-N 1 3 353.511 -0.191 20 0 FBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423730467 485127045 /nfs/dbraw/zinc/12/70/45/485127045.db2.gz YCKPCVSKGKCLIH-OWCLPIDISA-N 1 3 353.511 -0.191 20 0 FBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423730467 485127041 /nfs/dbraw/zinc/12/70/41/485127041.db2.gz YCKPCVSKGKCLIH-OWCLPIDISA-N 1 3 353.511 -0.191 20 0 FBADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423730468 485127333 /nfs/dbraw/zinc/12/73/33/485127333.db2.gz YCKPCVSKGKCLIH-XHSDSOJGSA-N 1 3 353.511 -0.191 20 0 FBADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423730468 485127327 /nfs/dbraw/zinc/12/73/27/485127327.db2.gz YCKPCVSKGKCLIH-XHSDSOJGSA-N 1 3 353.511 -0.191 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423740677 485128822 /nfs/dbraw/zinc/12/88/22/485128822.db2.gz JEIKTQKMKXUIHA-RDJZCZTQSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423740677 485128819 /nfs/dbraw/zinc/12/88/19/485128819.db2.gz JEIKTQKMKXUIHA-RDJZCZTQSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423740680 485128195 /nfs/dbraw/zinc/12/81/95/485128195.db2.gz JEIKTQKMKXUIHA-WBVHZDCISA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423740680 485128192 /nfs/dbraw/zinc/12/81/92/485128192.db2.gz JEIKTQKMKXUIHA-WBVHZDCISA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H]1CC2(CN1CC(=O)NCCCN(C)S(C)(=O)=O)CC[NH2+]CC2 ZINC000424287157 485175726 /nfs/dbraw/zinc/17/57/26/485175726.db2.gz IRUVRYNQKKFDKF-AWEZNQCLSA-N 1 3 360.524 -0.152 20 0 FBADHO C[C@@H]1CC2(CN1CC(=O)NCCCN(C)S(C)(=O)=O)CC[NH2+]CC2 ZINC000424287160 485175084 /nfs/dbraw/zinc/17/50/84/485175084.db2.gz IRUVRYNQKKFDKF-CQSZACIVSA-N 1 3 360.524 -0.152 20 0 FBADHO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000424329785 485179452 /nfs/dbraw/zinc/17/94/52/485179452.db2.gz GVLSLYIFHCRRHU-HUUCEWRRSA-N 1 3 353.511 -0.095 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3([NH+](C)C)CCCC3)C[C@H]2N)cn1 ZINC000424484555 485196863 /nfs/dbraw/zinc/19/68/63/485196863.db2.gz AJSRYXPZKOZSHK-LSDHHAIUSA-N 1 3 362.478 -0.336 20 0 FBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424486962 485198003 /nfs/dbraw/zinc/19/80/03/485198003.db2.gz AJNOLWSHGJRYQH-LSDHHAIUSA-N 1 3 350.467 -0.479 20 0 FBADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424486962 485198001 /nfs/dbraw/zinc/19/80/01/485198001.db2.gz AJNOLWSHGJRYQH-LSDHHAIUSA-N 1 3 350.467 -0.479 20 0 FBADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424491131 485200346 /nfs/dbraw/zinc/20/03/46/485200346.db2.gz CDPDKLSVJXYFGK-LSDHHAIUSA-N 1 3 362.478 -0.384 20 0 FBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000424491812 485201632 /nfs/dbraw/zinc/20/16/32/485201632.db2.gz FVZGKKUYVJMQFU-OKZBNKHCSA-N 1 3 372.469 -0.095 20 0 FBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000424491813 485202133 /nfs/dbraw/zinc/20/21/33/485202133.db2.gz FVZGKKUYVJMQFU-RCCFBDPRSA-N 1 3 372.469 -0.095 20 0 FBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424491838 485201870 /nfs/dbraw/zinc/20/18/70/485201870.db2.gz GAJPBCJVXPMMIT-JKSUJKDBSA-N 1 3 364.494 -0.137 20 0 FBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424497202 485203061 /nfs/dbraw/zinc/20/30/61/485203061.db2.gz WLIWYXIHPXALPF-HRCADAONSA-N 1 3 362.478 -0.386 20 0 FBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424497203 485202718 /nfs/dbraw/zinc/20/27/18/485202718.db2.gz WLIWYXIHPXALPF-OWCLPIDISA-N 1 3 362.478 -0.386 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424498043 485202853 /nfs/dbraw/zinc/20/28/53/485202853.db2.gz YNOSWSJWNURCPJ-LSDHHAIUSA-N 1 3 350.467 -0.528 20 0 FBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424498409 485202990 /nfs/dbraw/zinc/20/29/90/485202990.db2.gz ZMCXBPMFIJQCOK-LSDHHAIUSA-N 1 3 350.467 -0.527 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000424510166 485205420 /nfs/dbraw/zinc/20/54/20/485205420.db2.gz RHDAMCUOOIWMOW-JKSUJKDBSA-N 1 3 362.478 -0.336 20 0 FBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424511764 484357269 /nfs/dbraw/zinc/35/72/69/484357269.db2.gz UKSARZKTELAYLM-AEGPPILISA-N 1 3 350.467 -0.480 20 0 FBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424511765 484357561 /nfs/dbraw/zinc/35/75/61/484357561.db2.gz UKSARZKTELAYLM-VHDGCEQUSA-N 1 3 350.467 -0.480 20 0 FBADHO CC(C)[NH+](CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(C)C ZINC000424515278 485206772 /nfs/dbraw/zinc/20/67/72/485206772.db2.gz BYIBLSRBPUFDON-JKSUJKDBSA-N 1 3 364.494 -0.092 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424516384 485207048 /nfs/dbraw/zinc/20/70/48/485207048.db2.gz FADZYENPOYAXSI-JKSUJKDBSA-N 1 3 362.478 -0.479 20 0 FBADHO C[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(C)(C)C[NH+](C)C ZINC000424517887 485206829 /nfs/dbraw/zinc/20/68/29/485206829.db2.gz GSEMBEHNRDRNCH-AEGPPILISA-N 1 3 364.494 -0.234 20 0 FBADHO C[C@@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(C)(C)C[NH+](C)C ZINC000424517888 485207008 /nfs/dbraw/zinc/20/70/08/485207008.db2.gz GSEMBEHNRDRNCH-VHDGCEQUSA-N 1 3 364.494 -0.234 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)C[C@H]2N)cn1 ZINC000424521172 485208189 /nfs/dbraw/zinc/20/81/89/485208189.db2.gz LMUJFALLXOCJTO-JKSUJKDBSA-N 1 3 362.478 -0.336 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@H+](C)C3CCCC3)C[C@H]2N)cn1 ZINC000424521172 485208186 /nfs/dbraw/zinc/20/81/86/485208186.db2.gz LMUJFALLXOCJTO-JKSUJKDBSA-N 1 3 362.478 -0.336 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C[C@H]2N)cn1 ZINC000424521980 485209665 /nfs/dbraw/zinc/20/96/65/485209665.db2.gz MJSSSKPDKYUJIA-DLBZAZTESA-N 1 3 374.489 -0.336 20 0 FBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424523037 485207978 /nfs/dbraw/zinc/20/79/78/485207978.db2.gz NWBWFDVYWZFUNP-HRCADAONSA-N 1 3 362.478 -0.336 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424523040 485208318 /nfs/dbraw/zinc/20/83/18/485208318.db2.gz NWBWFDVYWZFUNP-OWCLPIDISA-N 1 3 362.478 -0.336 20 0 FBADHO C[C@H]1CC2(CN1C(=O)C(=O)NCC1CCN(CCO)CC1)CC[NH2+]CC2 ZINC000424523110 485208034 /nfs/dbraw/zinc/20/80/34/485208034.db2.gz OCYXCDRQCUOTDC-HNNXBMFYSA-N 1 3 366.506 -0.203 20 0 FBADHO C[C@@H]1CC2(CN1C(=O)C(=O)NCC1CCN(CCO)CC1)CC[NH2+]CC2 ZINC000424523112 485208247 /nfs/dbraw/zinc/20/82/47/485208247.db2.gz OCYXCDRQCUOTDC-OAHLLOKOSA-N 1 3 366.506 -0.203 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C[NH+]1CCCC1 ZINC000424525743 485209025 /nfs/dbraw/zinc/20/90/25/485209025.db2.gz RDLAQHJKJICESW-CWRNSKLLSA-N 1 3 362.478 -0.479 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C[NH+]1CCCC1 ZINC000424525746 485209215 /nfs/dbraw/zinc/20/92/15/485209215.db2.gz RDLAQHJKJICESW-VNQPRFMTSA-N 1 3 362.478 -0.479 20 0 FBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424529685 485213966 /nfs/dbraw/zinc/21/39/66/485213966.db2.gz VDUGDDQEMLAFQW-CWRNSKLLSA-N 1 3 362.478 -0.336 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424529692 485214177 /nfs/dbraw/zinc/21/41/77/485214177.db2.gz VDUGDDQEMLAFQW-VNQPRFMTSA-N 1 3 362.478 -0.336 20 0 FBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424530220 485214795 /nfs/dbraw/zinc/21/47/95/485214795.db2.gz VQLMPQMEIJNAOK-VHDGCEQUSA-N 1 3 350.467 -0.480 20 0 FBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534712 485223379 /nfs/dbraw/zinc/22/33/79/485223379.db2.gz ZKNMHMQRZOESTI-CWRNSKLLSA-N 1 3 362.478 -0.479 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534713 485222415 /nfs/dbraw/zinc/22/24/15/485222415.db2.gz ZKNMHMQRZOESTI-VNQPRFMTSA-N 1 3 362.478 -0.479 20 0 FBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424535228 485222939 /nfs/dbraw/zinc/22/29/39/485222939.db2.gz ZYLOBEHOLALCNA-AEGPPILISA-N 1 3 350.467 -0.480 20 0 FBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424535228 485222936 /nfs/dbraw/zinc/22/29/36/485222936.db2.gz ZYLOBEHOLALCNA-AEGPPILISA-N 1 3 350.467 -0.480 20 0 FBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424535229 485223395 /nfs/dbraw/zinc/22/33/95/485223395.db2.gz ZYLOBEHOLALCNA-VHDGCEQUSA-N 1 3 350.467 -0.480 20 0 FBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424535229 485223390 /nfs/dbraw/zinc/22/33/90/485223390.db2.gz ZYLOBEHOLALCNA-VHDGCEQUSA-N 1 3 350.467 -0.480 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C[C@H]2N)cn1 ZINC000424535527 485223078 /nfs/dbraw/zinc/22/30/78/485223078.db2.gz AMKNIWCDUTXOMY-BHYGNILZSA-N 1 3 374.489 -0.383 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C[C@H]2N)cn1 ZINC000424535535 485223085 /nfs/dbraw/zinc/22/30/85/485223085.db2.gz AMKNIWCDUTXOMY-HYVNUMGLSA-N 1 3 374.489 -0.383 20 0 FBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535582 485223122 /nfs/dbraw/zinc/22/31/22/485223122.db2.gz APDBEJLVRMZDRY-JKSUJKDBSA-N 1 3 364.494 -0.281 20 0 FBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424537870 485224780 /nfs/dbraw/zinc/22/47/80/485224780.db2.gz CTALBZJTJXZHOI-HRCADAONSA-N 1 3 362.478 -0.384 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000424537875 485225137 /nfs/dbraw/zinc/22/51/37/485225137.db2.gz CTALBZJTJXZHOI-OWCLPIDISA-N 1 3 362.478 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC[NH+]3CCCCC3)C[C@H]2N)cn1 ZINC000424539651 485224972 /nfs/dbraw/zinc/22/49/72/485224972.db2.gz CQWQXYOWNFYUIG-JKSUJKDBSA-N 1 3 362.478 -0.335 20 0 FBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424545964 485228666 /nfs/dbraw/zinc/22/86/66/485228666.db2.gz MFIBRRSIWQDYRN-JKSUJKDBSA-N 1 3 362.478 -0.383 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2N)cn1 ZINC000424547827 485228498 /nfs/dbraw/zinc/22/84/98/485228498.db2.gz KQBXHVBAYHHLMU-FXUDXRNXSA-N 1 3 362.478 -0.338 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2N)cn1 ZINC000424547831 485228585 /nfs/dbraw/zinc/22/85/85/485228585.db2.gz KQBXHVBAYHHLMU-LVQVYYBASA-N 1 3 362.478 -0.338 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2N)cn1 ZINC000424547833 485228082 /nfs/dbraw/zinc/22/80/82/485228082.db2.gz KQBXHVBAYHHLMU-XUWVNRHRSA-N 1 3 362.478 -0.338 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2N)cn1 ZINC000424547834 485228910 /nfs/dbraw/zinc/22/89/10/485228910.db2.gz KQBXHVBAYHHLMU-YHUYYLMFSA-N 1 3 362.478 -0.338 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC([NH+]4CCCC4)CC3)C[C@H]2N)cn1 ZINC000424548510 485228611 /nfs/dbraw/zinc/22/86/11/485228611.db2.gz PYMJHRAKILYQKP-DLBZAZTESA-N 1 3 374.489 -0.240 20 0 FBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424548982 485229773 /nfs/dbraw/zinc/22/97/73/485229773.db2.gz QQEGWRCVYBKEGG-CWRNSKLLSA-N 1 3 362.478 -0.527 20 0 FBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424548982 485229768 /nfs/dbraw/zinc/22/97/68/485229768.db2.gz QQEGWRCVYBKEGG-CWRNSKLLSA-N 1 3 362.478 -0.527 20 0 FBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424548983 485230205 /nfs/dbraw/zinc/23/02/05/485230205.db2.gz QQEGWRCVYBKEGG-VNQPRFMTSA-N 1 3 362.478 -0.527 20 0 FBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424548983 485230203 /nfs/dbraw/zinc/23/02/03/485230203.db2.gz QQEGWRCVYBKEGG-VNQPRFMTSA-N 1 3 362.478 -0.527 20 0 FBADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424551009 485229939 /nfs/dbraw/zinc/22/99/39/485229939.db2.gz USZRKQFFJNSWKL-OKZBNKHCSA-N 1 3 372.469 -0.176 20 0 FBADHO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424551011 485229640 /nfs/dbraw/zinc/22/96/40/485229640.db2.gz USZRKQFFJNSWKL-RCCFBDPRSA-N 1 3 372.469 -0.176 20 0 FBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552656 485229608 /nfs/dbraw/zinc/22/96/08/485229608.db2.gz QLBYATPXCRSGDJ-CAPXZKIUSA-N 1 3 360.462 -0.728 20 0 FBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552657 485230076 /nfs/dbraw/zinc/23/00/76/485230076.db2.gz QLBYATPXCRSGDJ-DANNLKNASA-N 1 3 360.462 -0.728 20 0 FBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552658 485229411 /nfs/dbraw/zinc/22/94/11/485229411.db2.gz QLBYATPXCRSGDJ-KSYCFECVSA-N 1 3 360.462 -0.728 20 0 FBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552659 485229432 /nfs/dbraw/zinc/22/94/32/485229432.db2.gz QLBYATPXCRSGDJ-MSQAHXEGSA-N 1 3 360.462 -0.728 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC3CC[NH+](C)CC3)C[C@H]2N)cn1 ZINC000424554829 485230907 /nfs/dbraw/zinc/23/09/07/485230907.db2.gz SRRWKJSDFZOTCY-JKSUJKDBSA-N 1 3 362.478 -0.479 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)C[C@H]2N)cn1 ZINC000424556200 485231275 /nfs/dbraw/zinc/23/12/75/485231275.db2.gz UGOLYCNNGOHUFZ-CWRNSKLLSA-N 1 3 362.478 -0.479 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)C[C@H]2N)cn1 ZINC000424556200 485231272 /nfs/dbraw/zinc/23/12/72/485231272.db2.gz UGOLYCNNGOHUFZ-CWRNSKLLSA-N 1 3 362.478 -0.479 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)C[C@H]2N)cn1 ZINC000424556201 485231228 /nfs/dbraw/zinc/23/12/28/485231228.db2.gz UGOLYCNNGOHUFZ-VNQPRFMTSA-N 1 3 362.478 -0.479 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)C[C@H]2N)cn1 ZINC000424556201 485231224 /nfs/dbraw/zinc/23/12/24/485231224.db2.gz UGOLYCNNGOHUFZ-VNQPRFMTSA-N 1 3 362.478 -0.479 20 0 FBADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424556237 485231071 /nfs/dbraw/zinc/23/10/71/485231071.db2.gz UKMZUBNGALLTTC-LSDHHAIUSA-N 1 3 350.467 -0.479 20 0 FBADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424556237 485231066 /nfs/dbraw/zinc/23/10/66/485231066.db2.gz UKMZUBNGALLTTC-LSDHHAIUSA-N 1 3 350.467 -0.479 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425381796 483997376 /nfs/dbraw/zinc/99/73/76/483997376.db2.gz GKNRHTZEDINHIX-DLBZAZTESA-N 1 3 365.522 -0.365 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425381796 483997368 /nfs/dbraw/zinc/99/73/68/483997368.db2.gz GKNRHTZEDINHIX-DLBZAZTESA-N 1 3 365.522 -0.365 20 0 FBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([N@@H+](C)CCCO)CC3)[C@@H]2C1 ZINC000425388474 484000043 /nfs/dbraw/zinc/00/00/43/484000043.db2.gz OTEVNCSJVLOBPC-DOTOQJQBSA-N 1 3 366.506 -0.156 20 0 FBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)[C@@H]2C1 ZINC000425388474 484000037 /nfs/dbraw/zinc/00/00/37/484000037.db2.gz OTEVNCSJVLOBPC-DOTOQJQBSA-N 1 3 366.506 -0.156 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427023162 484116294 /nfs/dbraw/zinc/11/62/94/484116294.db2.gz ZYFOCPFOVGNPQA-CYBMUJFWSA-N 1 3 350.467 0.545 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000427023166 484473590 /nfs/dbraw/zinc/47/35/90/484473590.db2.gz ZYFOCPFOVGNPQA-ZDUSSCGKSA-N 1 3 350.467 0.545 20 0 FBADHO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCNc3ccncc3)n2)CC1 ZINC000427068687 484134856 /nfs/dbraw/zinc/13/48/56/484134856.db2.gz CEFIIDKVBYLQQP-UHFFFAOYSA-N 1 3 371.445 0.134 20 0 FBADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427083847 484197185 /nfs/dbraw/zinc/19/71/85/484197185.db2.gz DQDHPSUDXKXPBW-UHFFFAOYSA-N 1 3 350.467 0.545 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000427091131 484111787 /nfs/dbraw/zinc/11/17/87/484111787.db2.gz BSZAWFHYQWRNFF-HNNXBMFYSA-N 1 3 362.478 0.545 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000427091132 484114440 /nfs/dbraw/zinc/11/44/40/484114440.db2.gz BSZAWFHYQWRNFF-OAHLLOKOSA-N 1 3 362.478 0.545 20 0 FBADHO CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)n2)CC1 ZINC000427872786 484150326 /nfs/dbraw/zinc/15/03/26/484150326.db2.gz DSXHPCGATSKNHJ-OKILXGFUSA-N 1 3 360.462 0.108 20 0 FBADHO CN1CCC(n2ccc(NC(=O)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)n2)CC1 ZINC000427872786 484150321 /nfs/dbraw/zinc/15/03/21/484150321.db2.gz DSXHPCGATSKNHJ-OKILXGFUSA-N 1 3 360.462 0.108 20 0 FBADHO CNC(=O)[C@]1(C)CC[N@H+](CC2(CN3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261773 485364891 /nfs/dbraw/zinc/36/48/91/485364891.db2.gz VGMVHOHXOGAOCP-HDICACEKSA-N 1 3 366.506 -0.081 20 0 FBADHO CNC(=O)[C@]1(C)CC[N@@H+](CC2(CN3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261773 485364887 /nfs/dbraw/zinc/36/48/87/485364887.db2.gz VGMVHOHXOGAOCP-HDICACEKSA-N 1 3 366.506 -0.081 20 0 FBADHO CNC(=O)[C@]1(C)CCN(CC2(C[N@H+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261773 485364884 /nfs/dbraw/zinc/36/48/84/485364884.db2.gz VGMVHOHXOGAOCP-HDICACEKSA-N 1 3 366.506 -0.081 20 0 FBADHO CNC(=O)[C@]1(C)CCN(CC2(C[N@@H+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261773 485364882 /nfs/dbraw/zinc/36/48/82/485364882.db2.gz VGMVHOHXOGAOCP-HDICACEKSA-N 1 3 366.506 -0.081 20 0 FBADHO CNC(=O)[C@]1(C)CCN(CC2(C[N@H+]3CC[C@@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261776 485365026 /nfs/dbraw/zinc/36/50/26/485365026.db2.gz VGMVHOHXOGAOCP-QZTJIDSGSA-N 1 3 366.506 -0.081 20 0 FBADHO CNC(=O)[C@]1(C)CCN(CC2(C[N@@H+]3CC[C@@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261776 485365024 /nfs/dbraw/zinc/36/50/24/485365024.db2.gz VGMVHOHXOGAOCP-QZTJIDSGSA-N 1 3 366.506 -0.081 20 0 FBADHO CNC(=O)[C@@]1(C)CCN(CC2(C[N@H+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261779 485364863 /nfs/dbraw/zinc/36/48/63/485364863.db2.gz VGMVHOHXOGAOCP-ROUUACIJSA-N 1 3 366.506 -0.081 20 0 FBADHO CNC(=O)[C@@]1(C)CCN(CC2(C[N@@H+]3CC[C@](C)(C(=O)NC)C3)COC2)C1 ZINC000430261779 485364860 /nfs/dbraw/zinc/36/48/60/485364860.db2.gz VGMVHOHXOGAOCP-ROUUACIJSA-N 1 3 366.506 -0.081 20 0 FBADHO Cn1c2ncn(CCN3CCC(OCCC[NH3+])CC3)c2c(=O)n(C)c1=O ZINC000430550766 485368399 /nfs/dbraw/zinc/36/83/99/485368399.db2.gz ZTBBFIMGKUOKHO-UHFFFAOYSA-N 1 3 364.450 -0.737 20 0 FBADHO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC(C[NH3+])CC2)CC1 ZINC000430589154 483903321 /nfs/dbraw/zinc/90/33/21/483903321.db2.gz CLIWPIXEYXQBIV-UHFFFAOYSA-N 1 3 353.511 -0.284 20 0 FBADHO CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430607808 483885118 /nfs/dbraw/zinc/88/51/18/483885118.db2.gz ZRDFIOATWVBSHP-DLBZAZTESA-N 1 3 365.522 -0.317 20 0 FBADHO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430607808 483885116 /nfs/dbraw/zinc/88/51/16/483885116.db2.gz ZRDFIOATWVBSHP-DLBZAZTESA-N 1 3 365.522 -0.317 20 0 FBADHO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430607809 483885168 /nfs/dbraw/zinc/88/51/68/483885168.db2.gz ZRDFIOATWVBSHP-IAGOWNOFSA-N 1 3 365.522 -0.317 20 0 FBADHO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430607809 483885167 /nfs/dbraw/zinc/88/51/67/483885167.db2.gz ZRDFIOATWVBSHP-IAGOWNOFSA-N 1 3 365.522 -0.317 20 0 FBADHO CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430607810 483885026 /nfs/dbraw/zinc/88/50/26/483885026.db2.gz ZRDFIOATWVBSHP-IRXDYDNUSA-N 1 3 365.522 -0.317 20 0 FBADHO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430607810 483885025 /nfs/dbraw/zinc/88/50/25/483885025.db2.gz ZRDFIOATWVBSHP-IRXDYDNUSA-N 1 3 365.522 -0.317 20 0 FBADHO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430607811 483904109 /nfs/dbraw/zinc/90/41/09/483904109.db2.gz ZRDFIOATWVBSHP-SJORKVTESA-N 1 3 365.522 -0.317 20 0 FBADHO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430607811 483904106 /nfs/dbraw/zinc/90/41/06/483904106.db2.gz ZRDFIOATWVBSHP-SJORKVTESA-N 1 3 365.522 -0.317 20 0 FBADHO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC(C[NH3+])CC2)CC1 ZINC000430617869 483905183 /nfs/dbraw/zinc/90/51/83/483905183.db2.gz PRSDPHVUFVPDIM-UHFFFAOYSA-N 1 3 372.477 -0.317 20 0 FBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430629358 483888153 /nfs/dbraw/zinc/88/81/53/483888153.db2.gz PYVWGSIVRSTDTJ-AWEZNQCLSA-N 1 3 351.495 -0.484 20 0 FBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430629361 483888546 /nfs/dbraw/zinc/88/85/46/483888546.db2.gz PYVWGSIVRSTDTJ-CQSZACIVSA-N 1 3 351.495 -0.484 20 0 FBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000430637107 657432777 /nfs/dbraw/zinc/43/27/77/657432777.db2.gz KHAZQNKHSBORAI-CYBMUJFWSA-N 1 3 351.451 -0.362 20 0 FBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000430637108 657432905 /nfs/dbraw/zinc/43/29/05/657432905.db2.gz KHAZQNKHSBORAI-ZDUSSCGKSA-N 1 3 351.451 -0.362 20 0 FBADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430650602 483921236 /nfs/dbraw/zinc/92/12/36/483921236.db2.gz KOGMTUVRLZVPHU-INIZCTEOSA-N 1 3 365.522 -0.269 20 0 FBADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 ZINC000430650604 483906930 /nfs/dbraw/zinc/90/69/30/483906930.db2.gz KOGMTUVRLZVPHU-MRXNPFEDSA-N 1 3 365.522 -0.269 20 0 FBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC[C@@H]2CCCO2)cn1 ZINC000430785785 483910481 /nfs/dbraw/zinc/91/04/81/483910481.db2.gz ZEMVAVKMBOBGAA-AWEZNQCLSA-N 1 3 352.439 -0.732 20 0 FBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC[C@H]2CCCO2)cn1 ZINC000430785786 483910853 /nfs/dbraw/zinc/91/08/53/483910853.db2.gz ZEMVAVKMBOBGAA-CQSZACIVSA-N 1 3 352.439 -0.732 20 0 FBADHO COCC[C@@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC[NH2+]C1 ZINC000430790316 483911234 /nfs/dbraw/zinc/91/12/34/483911234.db2.gz GRBOBMFWFQOIAM-KRWDZBQOSA-N 1 3 366.466 -0.484 20 0 FBADHO COCC[C@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC[NH2+]C1 ZINC000430790317 483911045 /nfs/dbraw/zinc/91/10/45/483911045.db2.gz GRBOBMFWFQOIAM-QGZVFWFLSA-N 1 3 366.466 -0.484 20 0 FBADHO C[NH2+]C[C@@H]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430964103 657472211 /nfs/dbraw/zinc/47/22/11/657472211.db2.gz XYGJIRAZCCJUDL-HNNXBMFYSA-N 1 3 368.503 -0.076 20 0 FBADHO C[NH2+]C[C@H]1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430964104 657472294 /nfs/dbraw/zinc/47/22/94/657472294.db2.gz XYGJIRAZCCJUDL-OAHLLOKOSA-N 1 3 368.503 -0.076 20 0 FBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431045009 483915960 /nfs/dbraw/zinc/91/59/60/483915960.db2.gz ZTORQNCYRAQGEM-UHFFFAOYSA-N 1 3 351.495 -0.706 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431977416 483941848 /nfs/dbraw/zinc/94/18/48/483941848.db2.gz MKNIXOWOYXIZPF-INIZCTEOSA-N 1 3 369.510 -0.002 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431977417 483942591 /nfs/dbraw/zinc/94/25/91/483942591.db2.gz MKNIXOWOYXIZPF-MRXNPFEDSA-N 1 3 369.510 -0.002 20 0 FBADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000432532800 483959732 /nfs/dbraw/zinc/95/97/32/483959732.db2.gz VMJGRHFRFYJFSJ-DOTOQJQBSA-N 1 3 351.447 -0.017 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC000432538358 483959420 /nfs/dbraw/zinc/95/94/20/483959420.db2.gz KYHVWUJPMCEKFY-CVEARBPZSA-N 1 3 354.495 -0.250 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC000432538358 483959414 /nfs/dbraw/zinc/95/94/14/483959414.db2.gz KYHVWUJPMCEKFY-CVEARBPZSA-N 1 3 354.495 -0.250 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC000432538359 483959481 /nfs/dbraw/zinc/95/94/81/483959481.db2.gz KYHVWUJPMCEKFY-HOTGVXAUSA-N 1 3 354.495 -0.250 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC000432538359 483959475 /nfs/dbraw/zinc/95/94/75/483959475.db2.gz KYHVWUJPMCEKFY-HOTGVXAUSA-N 1 3 354.495 -0.250 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC000432538360 483959456 /nfs/dbraw/zinc/95/94/56/483959456.db2.gz KYHVWUJPMCEKFY-HZPDHXFCSA-N 1 3 354.495 -0.250 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC000432538360 483959451 /nfs/dbraw/zinc/95/94/51/483959451.db2.gz KYHVWUJPMCEKFY-HZPDHXFCSA-N 1 3 354.495 -0.250 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC000432538361 483959574 /nfs/dbraw/zinc/95/95/74/483959574.db2.gz KYHVWUJPMCEKFY-JKSUJKDBSA-N 1 3 354.495 -0.250 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC000432538361 483959569 /nfs/dbraw/zinc/95/95/69/483959569.db2.gz KYHVWUJPMCEKFY-JKSUJKDBSA-N 1 3 354.495 -0.250 20 0 FBADHO CN(C)C(=O)CCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433119942 483971517 /nfs/dbraw/zinc/97/15/17/483971517.db2.gz WZMUODLTBMFDON-UHFFFAOYSA-N 1 3 353.511 -0.188 20 0 FBADHO [NH3+]C1CCN(CCCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000433160990 483971309 /nfs/dbraw/zinc/97/13/09/483971309.db2.gz JAJLSBGKQMOKOR-UHFFFAOYSA-N 1 3 365.522 -0.044 20 0 FBADHO CCN1CCC(NC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436057102 484069539 /nfs/dbraw/zinc/06/95/39/484069539.db2.gz UTQDKUSMSXSBME-INIZCTEOSA-N 1 3 353.511 -0.094 20 0 FBADHO CCN1CCC(NC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436057103 484068538 /nfs/dbraw/zinc/06/85/38/484068538.db2.gz UTQDKUSMSXSBME-MRXNPFEDSA-N 1 3 353.511 -0.094 20 0 FBADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436065687 484070720 /nfs/dbraw/zinc/07/07/20/484070720.db2.gz PFAIUMWGMVCQJE-CABCVRRESA-N 1 3 360.524 -0.023 20 0 FBADHO CS(=O)(=O)N1CCC[C@@H](CN2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000436065688 484071582 /nfs/dbraw/zinc/07/15/82/484071582.db2.gz PFAIUMWGMVCQJE-GJZGRUSLSA-N 1 3 360.524 -0.023 20 0 FBADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436065689 484071079 /nfs/dbraw/zinc/07/10/79/484071079.db2.gz PFAIUMWGMVCQJE-HUUCEWRRSA-N 1 3 360.524 -0.023 20 0 FBADHO CS(=O)(=O)N1CCC[C@@H](CN2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000436065690 484071331 /nfs/dbraw/zinc/07/13/31/484071331.db2.gz PFAIUMWGMVCQJE-LSDHHAIUSA-N 1 3 360.524 -0.023 20 0 FBADHO COCC(C)(C)NCC(=O)N1CCN(C(=O)C[NH2+]C(C)(C)COC)CC1 ZINC000436089644 484070836 /nfs/dbraw/zinc/07/08/36/484070836.db2.gz CLDDFKTZJWZVBX-UHFFFAOYSA-N 1 3 372.510 -0.314 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCN(C)C(=O)C1 ZINC000436364615 484074688 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C[C@@H](CN1CCN(C)CC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440979176 484180694 /nfs/dbraw/zinc/18/06/94/484180694.db2.gz CQARZDMVDVBGEQ-INIZCTEOSA-N 1 3 354.543 -0.053 20 0 FBADHO C[C@@H](CN1CCN(C)CC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440979176 484180691 /nfs/dbraw/zinc/18/06/91/484180691.db2.gz CQARZDMVDVBGEQ-INIZCTEOSA-N 1 3 354.543 -0.053 20 0 FBADHO C[C@H](CN1CCN(C)CC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440979177 484180418 /nfs/dbraw/zinc/18/04/18/484180418.db2.gz CQARZDMVDVBGEQ-MRXNPFEDSA-N 1 3 354.543 -0.053 20 0 FBADHO C[C@H](CN1CCN(C)CC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440979177 484180415 /nfs/dbraw/zinc/18/04/15/484180415.db2.gz CQARZDMVDVBGEQ-MRXNPFEDSA-N 1 3 354.543 -0.053 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCSC1 ZINC000446742736 484101863 /nfs/dbraw/zinc/10/18/63/484101863.db2.gz BTZZJJOFBYQANK-INIZCTEOSA-N 1 3 368.507 -0.063 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCSC1 ZINC000446742737 484102050 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CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000448499816 484304207 /nfs/dbraw/zinc/30/42/07/484304207.db2.gz VHUADDNDGUFGFQ-CQSZACIVSA-N 1 3 350.467 0.231 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)n1 ZINC000448507222 484097833 /nfs/dbraw/zinc/09/78/33/484097833.db2.gz FLXICNQFTUMFQA-UHFFFAOYSA-N 1 3 350.467 0.183 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000448533396 484200561 /nfs/dbraw/zinc/20/05/61/484200561.db2.gz VKZFRFZAUJRJFC-UHFFFAOYSA-N 1 3 350.467 0.372 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)n1 ZINC000448534028 484099200 /nfs/dbraw/zinc/09/92/00/484099200.db2.gz BTYOBILTJJBWKH-UHFFFAOYSA-N 1 3 350.467 0.374 20 0 FBADHO CNc1nc(N2C[C@@H]3CCN(C)[C@@H]3C2)nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000450781788 484374445 /nfs/dbraw/zinc/37/44/45/484374445.db2.gz UTODRCNOKXPDSB-BYNSBNAKSA-N 1 3 358.494 -0.384 20 0 FBADHO CNc1nc(N2C[C@@H]3CCN(C)[C@@H]3C2)nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000450781788 484374439 /nfs/dbraw/zinc/37/44/39/484374439.db2.gz UTODRCNOKXPDSB-BYNSBNAKSA-N 1 3 358.494 -0.384 20 0 FBADHO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)n1 ZINC000454069741 484099994 /nfs/dbraw/zinc/09/99/94/484099994.db2.gz NQRXJBFZUXVMQV-UHFFFAOYSA-N 1 3 350.467 0.374 20 0 FBADHO CCN1CCN(CC(C)(C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000456904192 484453529 /nfs/dbraw/zinc/45/35/29/484453529.db2.gz SDAPEIATBCCUOE-INIZCTEOSA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CCN(CC(C)(C)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000456904194 484454136 /nfs/dbraw/zinc/45/41/36/484454136.db2.gz SDAPEIATBCCUOE-MRXNPFEDSA-N 1 3 367.538 -0.071 20 0 FBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458432312 484477378 /nfs/dbraw/zinc/47/73/78/484477378.db2.gz QALMBOLJBHRYHN-CVEARBPZSA-N 1 3 369.510 -0.280 20 0 FBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458432312 484477371 /nfs/dbraw/zinc/47/73/71/484477371.db2.gz QALMBOLJBHRYHN-CVEARBPZSA-N 1 3 369.510 -0.280 20 0 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/nfs/dbraw/zinc/63/14/44/484631444.db2.gz PXCROVQITTXQND-HOTGVXAUSA-N 1 3 368.526 -0.491 20 0 FBADHO C[C@H](CNC(=O)NCCCN1CCC[C@@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135595 484632692 /nfs/dbraw/zinc/63/26/92/484632692.db2.gz PXCROVQITTXQND-HZPDHXFCSA-N 1 3 368.526 -0.491 20 0 FBADHO C[C@@H](CNC(=O)NCCCN1CCC[C@@H]1C(N)=O)C[NH+]1CCN(C)CC1 ZINC000466135597 484632280 /nfs/dbraw/zinc/63/22/80/484632280.db2.gz PXCROVQITTXQND-JKSUJKDBSA-N 1 3 368.526 -0.491 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)CC1 ZINC000466270317 484634064 /nfs/dbraw/zinc/63/40/64/484634064.db2.gz JPEJGFUKRDIWIA-INIZCTEOSA-N 1 3 364.494 -0.036 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)CC1 ZINC000466270318 484633465 /nfs/dbraw/zinc/63/34/65/484633465.db2.gz JPEJGFUKRDIWIA-MRXNPFEDSA-N 1 3 364.494 -0.036 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000467693547 484659964 /nfs/dbraw/zinc/65/99/64/484659964.db2.gz XQYKKJXZZDDIBW-MQVJKMGUSA-N 1 3 364.490 -0.186 20 0 FBADHO CNc1nc(NCCN2CCCCC2)nc(NCC[NH+]2CCCCC2)n1 ZINC000467744583 484661431 /nfs/dbraw/zinc/66/14/31/484661431.db2.gz USGZBRWCJRUKRF-UHFFFAOYSA-N 1 3 362.526 -0.025 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC000468841329 484694824 /nfs/dbraw/zinc/69/48/24/484694824.db2.gz DHOVAUOVUARPBA-CABCVRRESA-N 1 3 355.483 -0.759 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC000468841329 484694819 /nfs/dbraw/zinc/69/48/19/484694819.db2.gz DHOVAUOVUARPBA-CABCVRRESA-N 1 3 355.483 -0.759 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC000468841949 484694883 /nfs/dbraw/zinc/69/48/83/484694883.db2.gz DHOVAUOVUARPBA-GJZGRUSLSA-N 1 3 355.483 -0.759 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC000468841949 484694878 /nfs/dbraw/zinc/69/48/78/484694878.db2.gz DHOVAUOVUARPBA-GJZGRUSLSA-N 1 3 355.483 -0.759 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1=O ZINC000468945528 484698749 /nfs/dbraw/zinc/69/87/49/484698749.db2.gz NDKMPYNYHUXHAF-HNNXBMFYSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1=O ZINC000468945840 484699090 /nfs/dbraw/zinc/69/90/90/484699090.db2.gz NDKMPYNYHUXHAF-OAHLLOKOSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000469416921 484709728 /nfs/dbraw/zinc/70/97/28/484709728.db2.gz WWVJHLROVSNRBK-CABCVRRESA-N 1 3 367.494 -0.900 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000469416921 484709722 /nfs/dbraw/zinc/70/97/22/484709722.db2.gz WWVJHLROVSNRBK-CABCVRRESA-N 1 3 367.494 -0.900 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000469416922 484709877 /nfs/dbraw/zinc/70/98/77/484709877.db2.gz WWVJHLROVSNRBK-GJZGRUSLSA-N 1 3 367.494 -0.900 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000469416922 484709871 /nfs/dbraw/zinc/70/98/71/484709871.db2.gz WWVJHLROVSNRBK-GJZGRUSLSA-N 1 3 367.494 -0.900 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000469416923 484710187 /nfs/dbraw/zinc/71/01/87/484710187.db2.gz WWVJHLROVSNRBK-HUUCEWRRSA-N 1 3 367.494 -0.900 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000469416923 484710182 /nfs/dbraw/zinc/71/01/82/484710182.db2.gz WWVJHLROVSNRBK-HUUCEWRRSA-N 1 3 367.494 -0.900 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000469416924 484710289 /nfs/dbraw/zinc/71/02/89/484710289.db2.gz WWVJHLROVSNRBK-LSDHHAIUSA-N 1 3 367.494 -0.900 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000469416924 484710286 /nfs/dbraw/zinc/71/02/86/484710286.db2.gz WWVJHLROVSNRBK-LSDHHAIUSA-N 1 3 367.494 -0.900 20 0 FBADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)CN1CCN(C)CC1 ZINC000469499808 484711663 /nfs/dbraw/zinc/71/16/63/484711663.db2.gz OYVMLORAUPEDPM-CVEARBPZSA-N 1 3 353.511 -0.604 20 0 FBADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)CN1CCN(C)CC1 ZINC000469499809 484712838 /nfs/dbraw/zinc/71/28/38/484712838.db2.gz OYVMLORAUPEDPM-HOTGVXAUSA-N 1 3 353.511 -0.604 20 0 FBADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)CN1CCN(C)CC1 ZINC000469499810 484713573 /nfs/dbraw/zinc/71/35/73/484713573.db2.gz OYVMLORAUPEDPM-HZPDHXFCSA-N 1 3 353.511 -0.604 20 0 FBADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)CN1CCN(C)CC1 ZINC000469499811 484712717 /nfs/dbraw/zinc/71/27/17/484712717.db2.gz OYVMLORAUPEDPM-JKSUJKDBSA-N 1 3 353.511 -0.604 20 0 FBADHO Cn1cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848231 484722014 /nfs/dbraw/zinc/72/20/14/484722014.db2.gz HJUWMKRCKSKJMA-DZGCQCFKSA-N 1 3 363.462 -0.836 20 0 FBADHO Cn1cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848232 484722639 /nfs/dbraw/zinc/72/26/39/484722639.db2.gz HJUWMKRCKSKJMA-HIFRSBDPSA-N 1 3 363.462 -0.836 20 0 FBADHO Cn1cc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848233 484722309 /nfs/dbraw/zinc/72/23/09/484722309.db2.gz HJUWMKRCKSKJMA-UKRRQHHQSA-N 1 3 363.462 -0.836 20 0 FBADHO Cn1cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(=O)n(C)c1=O ZINC000469848234 484722264 /nfs/dbraw/zinc/72/22/64/484722264.db2.gz HJUWMKRCKSKJMA-ZFWWWQNUSA-N 1 3 363.462 -0.836 20 0 FBADHO CN1CCN(c2ncc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993220 484726966 /nfs/dbraw/zinc/72/69/66/484726966.db2.gz SSQRSOTTWRECAZ-INIZCTEOSA-N 1 3 361.494 -0.485 20 0 FBADHO CN1CCN(c2ncc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cn2)CC1 ZINC000469993221 484726578 /nfs/dbraw/zinc/72/65/78/484726578.db2.gz SSQRSOTTWRECAZ-MRXNPFEDSA-N 1 3 361.494 -0.485 20 0 FBADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470012115 484726675 /nfs/dbraw/zinc/72/66/75/484726675.db2.gz PDVPRSRDJVQTEE-HNNXBMFYSA-N 1 3 364.494 -0.148 20 0 FBADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470012116 484726519 /nfs/dbraw/zinc/72/65/19/484726519.db2.gz PDVPRSRDJVQTEE-OAHLLOKOSA-N 1 3 364.494 -0.148 20 0 FBADHO CCN(CCO)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000470065548 484728417 /nfs/dbraw/zinc/72/84/17/484728417.db2.gz JRJAZHHYHPIGQV-UHFFFAOYSA-N 1 3 357.499 -0.458 20 0 FBADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CNC(=O)CN ZINC000470476347 484740761 /nfs/dbraw/zinc/74/07/61/484740761.db2.gz JJSVDCOTEBZCAQ-UHFFFAOYSA-N 1 3 353.511 -0.284 20 0 FBADHO CN(C)C(=O)CCN1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471635315 484766268 /nfs/dbraw/zinc/76/62/68/484766268.db2.gz NWPSMWPUMMHSSB-UHFFFAOYSA-N 1 3 357.499 -0.194 20 0 FBADHO C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000471636389 484766469 /nfs/dbraw/zinc/76/64/69/484766469.db2.gz RQHMSXMTQQVBMB-UHFFFAOYSA-N 1 3 355.483 -0.486 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471643748 484767414 /nfs/dbraw/zinc/76/74/14/484767414.db2.gz RYYGVHYEKSDNHG-UHFFFAOYSA-N 1 3 357.499 -0.240 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471658406 484766973 /nfs/dbraw/zinc/76/69/73/484766973.db2.gz MBNLQIFIJLIPJM-HNNXBMFYSA-N 1 3 355.483 -0.487 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471658407 484766672 /nfs/dbraw/zinc/76/66/72/484766672.db2.gz MBNLQIFIJLIPJM-OAHLLOKOSA-N 1 3 355.483 -0.487 20 0 FBADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000472423358 484777351 /nfs/dbraw/zinc/77/73/51/484777351.db2.gz BQYNOSZMXQZHGJ-HNNXBMFYSA-N 1 3 354.495 -0.252 20 0 FBADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000472423359 484777527 /nfs/dbraw/zinc/77/75/27/484777527.db2.gz BQYNOSZMXQZHGJ-OAHLLOKOSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1CN(C[C@@H](O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000473045089 660398875 /nfs/dbraw/zinc/39/88/75/660398875.db2.gz ILFRVOMTCTYQAD-BBWFWOEESA-N 1 3 356.511 -0.448 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000473045091 660398750 /nfs/dbraw/zinc/39/87/50/660398750.db2.gz ILFRVOMTCTYQAD-BRWVUGGUSA-N 1 3 356.511 -0.448 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000473045094 660398807 /nfs/dbraw/zinc/39/88/07/660398807.db2.gz ILFRVOMTCTYQAD-IXDOHACOSA-N 1 3 356.511 -0.448 20 0 FBADHO C[C@@H]1CN(C[C@@H](O)CN2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000473045097 660398861 /nfs/dbraw/zinc/39/88/61/660398861.db2.gz ILFRVOMTCTYQAD-ZACQAIPSSA-N 1 3 356.511 -0.448 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000474630277 484823201 /nfs/dbraw/zinc/82/32/01/484823201.db2.gz GDQIEYNDXUDNPG-AWEZNQCLSA-N 1 3 366.466 -0.061 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000474630277 484823195 /nfs/dbraw/zinc/82/31/95/484823195.db2.gz GDQIEYNDXUDNPG-AWEZNQCLSA-N 1 3 366.466 -0.061 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000474630278 484823445 /nfs/dbraw/zinc/82/34/45/484823445.db2.gz GDQIEYNDXUDNPG-CQSZACIVSA-N 1 3 366.466 -0.061 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000474630278 484823441 /nfs/dbraw/zinc/82/34/41/484823441.db2.gz GDQIEYNDXUDNPG-CQSZACIVSA-N 1 3 366.466 -0.061 20 0 FBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794677 484828420 /nfs/dbraw/zinc/82/84/20/484828420.db2.gz UIENPJNAOAWQSR-CVEARBPZSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794678 484827888 /nfs/dbraw/zinc/82/78/88/484827888.db2.gz UIENPJNAOAWQSR-HOTGVXAUSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794679 484828105 /nfs/dbraw/zinc/82/81/05/484828105.db2.gz UIENPJNAOAWQSR-HZPDHXFCSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000474794680 484827944 /nfs/dbraw/zinc/82/79/44/484827944.db2.gz UIENPJNAOAWQSR-JKSUJKDBSA-N 1 3 353.511 -0.461 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000474987237 484833538 /nfs/dbraw/zinc/83/35/38/484833538.db2.gz CKZHCQJNCCHYFV-CVEARBPZSA-N 1 3 366.506 -0.108 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000474987237 484833533 /nfs/dbraw/zinc/83/35/33/484833533.db2.gz CKZHCQJNCCHYFV-CVEARBPZSA-N 1 3 366.506 -0.108 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000474987238 484834046 /nfs/dbraw/zinc/83/40/46/484834046.db2.gz CKZHCQJNCCHYFV-HOTGVXAUSA-N 1 3 366.506 -0.108 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000474987238 484834040 /nfs/dbraw/zinc/83/40/40/484834040.db2.gz CKZHCQJNCCHYFV-HOTGVXAUSA-N 1 3 366.506 -0.108 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000474987239 484833632 /nfs/dbraw/zinc/83/36/32/484833632.db2.gz CKZHCQJNCCHYFV-HZPDHXFCSA-N 1 3 366.506 -0.108 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000474987239 484833627 /nfs/dbraw/zinc/83/36/27/484833627.db2.gz CKZHCQJNCCHYFV-HZPDHXFCSA-N 1 3 366.506 -0.108 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000474987240 484833975 /nfs/dbraw/zinc/83/39/75/484833975.db2.gz CKZHCQJNCCHYFV-JKSUJKDBSA-N 1 3 366.506 -0.108 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000474987240 484833970 /nfs/dbraw/zinc/83/39/70/484833970.db2.gz CKZHCQJNCCHYFV-JKSUJKDBSA-N 1 3 366.506 -0.108 20 0 FBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000477030306 484253132 /nfs/dbraw/zinc/25/31/32/484253132.db2.gz DJKXURIESBOPHV-HNNXBMFYSA-N 1 3 355.527 -0.025 20 0 FBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000477030320 484253108 /nfs/dbraw/zinc/25/31/08/484253108.db2.gz DJKXURIESBOPHV-OAHLLOKOSA-N 1 3 355.527 -0.025 20 0 FBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000477095097 484281649 /nfs/dbraw/zinc/28/16/49/484281649.db2.gz GFMVZDSBCXUXDW-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000477095100 484282009 /nfs/dbraw/zinc/28/20/09/484282009.db2.gz GFMVZDSBCXUXDW-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000477612541 484905392 /nfs/dbraw/zinc/90/53/92/484905392.db2.gz FLEYFMQBUWKQIW-DZGCQCFKSA-N 1 3 352.479 -0.045 20 0 FBADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000477612549 484904907 /nfs/dbraw/zinc/90/49/07/484904907.db2.gz FLEYFMQBUWKQIW-HIFRSBDPSA-N 1 3 352.479 -0.045 20 0 FBADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000477612706 484904936 /nfs/dbraw/zinc/90/49/36/484904936.db2.gz FLEYFMQBUWKQIW-UKRRQHHQSA-N 1 3 352.479 -0.045 20 0 FBADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000477612707 484904736 /nfs/dbraw/zinc/90/47/36/484904736.db2.gz FLEYFMQBUWKQIW-ZFWWWQNUSA-N 1 3 352.479 -0.045 20 0 FBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CN(C)CCN1C ZINC000477662161 484909304 /nfs/dbraw/zinc/90/93/04/484909304.db2.gz NEOQRKBRKFSWQJ-KRWDZBQOSA-N 1 3 354.543 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/nfs/dbraw/zinc/90/84/52/484908452.db2.gz IZPJCNYEBDKWFB-BBRMVZONSA-N 1 3 352.479 -0.188 20 0 FBADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000477682798 484907888 /nfs/dbraw/zinc/90/78/88/484907888.db2.gz IZPJCNYEBDKWFB-CJNGLKHVSA-N 1 3 352.479 -0.188 20 0 FBADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000477682799 484909361 /nfs/dbraw/zinc/90/93/61/484909361.db2.gz IZPJCNYEBDKWFB-CZUORRHYSA-N 1 3 352.479 -0.188 20 0 FBADHO COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000477682800 484908410 /nfs/dbraw/zinc/90/84/10/484908410.db2.gz IZPJCNYEBDKWFB-XJKSGUPXSA-N 1 3 352.479 -0.188 20 0 FBADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000478011654 484916256 /nfs/dbraw/zinc/91/62/56/484916256.db2.gz VMJGRHFRFYJFSJ-NVXWUHKLSA-N 1 3 351.447 -0.017 20 0 FBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)c2csc(CC[NH3+])n2)cn1 ZINC000479223015 484945984 /nfs/dbraw/zinc/94/59/84/484945984.db2.gz LALALCQNSWJSOO-UHFFFAOYSA-N 1 3 365.463 -0.229 20 0 FBADHO COCC1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC[NH2+]CC1 ZINC000479229154 484946301 /nfs/dbraw/zinc/94/63/01/484946301.db2.gz XKVRBEIQDQCJQJ-UHFFFAOYSA-N 1 3 366.466 -0.484 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCOCC[NH+](C)C ZINC000480915150 484985663 /nfs/dbraw/zinc/98/56/63/484985663.db2.gz VVYUPXSNQKMLTE-UHFFFAOYSA-N 1 3 361.512 -0.082 20 0 FBADHO CN(CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000485449895 485087284 /nfs/dbraw/zinc/08/72/84/485087284.db2.gz GLDUBKOZWWFOQM-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000485461729 485087633 /nfs/dbraw/zinc/08/76/33/485087633.db2.gz AZJOYADAVBEXFJ-HNNXBMFYSA-N 1 3 365.522 -0.176 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000485461736 485087648 /nfs/dbraw/zinc/08/76/48/485087648.db2.gz AZJOYADAVBEXFJ-OAHLLOKOSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000485510925 485089051 /nfs/dbraw/zinc/08/90/51/485089051.db2.gz WTJOZHHXYTVWCL-AWEZNQCLSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000485510926 485089639 /nfs/dbraw/zinc/08/96/39/485089639.db2.gz WTJOZHHXYTVWCL-CQSZACIVSA-N 1 3 352.479 -0.186 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485564110 485090739 /nfs/dbraw/zinc/09/07/39/485090739.db2.gz AQNGQLBVHYGTCS-UHFFFAOYSA-N 1 3 367.494 -0.791 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485564110 485090732 /nfs/dbraw/zinc/09/07/32/485090732.db2.gz AQNGQLBVHYGTCS-UHFFFAOYSA-N 1 3 367.494 -0.791 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C1CC1 ZINC000485566548 485091324 /nfs/dbraw/zinc/09/13/24/485091324.db2.gz IOSBNFNAPXYBBF-UHFFFAOYSA-N 1 3 365.522 -0.317 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CC1 ZINC000485597316 485092749 /nfs/dbraw/zinc/09/27/49/485092749.db2.gz FIRLAMIMAIIYMX-KRWDZBQOSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000485597316 485092745 /nfs/dbraw/zinc/09/27/45/485092745.db2.gz FIRLAMIMAIIYMX-KRWDZBQOSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CC1 ZINC000485597317 485092345 /nfs/dbraw/zinc/09/23/45/485092345.db2.gz FIRLAMIMAIIYMX-QGZVFWFLSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CC1 ZINC000485597317 485092339 /nfs/dbraw/zinc/09/23/39/485092339.db2.gz FIRLAMIMAIIYMX-QGZVFWFLSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CC1 ZINC000485621873 485093838 /nfs/dbraw/zinc/09/38/38/485093838.db2.gz QVUAGGGGIYDNRX-UHFFFAOYSA-N 1 3 365.522 -0.128 20 0 FBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000485624426 483973833 /nfs/dbraw/zinc/97/38/33/483973833.db2.gz HQIMWZGYFJHPJH-UHFFFAOYSA-N 1 3 367.494 -0.744 20 0 FBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000485790796 485096144 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ZINC000496267355 485230527 /nfs/dbraw/zinc/23/05/27/485230527.db2.gz QFHRECVUMHSXMJ-CVEARBPZSA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496267355 485230523 /nfs/dbraw/zinc/23/05/23/485230523.db2.gz QFHRECVUMHSXMJ-CVEARBPZSA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496267356 485231409 /nfs/dbraw/zinc/23/14/09/485231409.db2.gz QFHRECVUMHSXMJ-HOTGVXAUSA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496267356 485231405 /nfs/dbraw/zinc/23/14/05/485231405.db2.gz QFHRECVUMHSXMJ-HOTGVXAUSA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496267357 485233073 /nfs/dbraw/zinc/23/30/73/485233073.db2.gz QFHRECVUMHSXMJ-HZPDHXFCSA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496267357 485233067 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CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500459627 485282006 /nfs/dbraw/zinc/28/20/06/485282006.db2.gz VUYKQQGVNDHFNT-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCC1 ZINC000500771560 485288993 /nfs/dbraw/zinc/28/89/93/485288993.db2.gz KWEKFBOSKYCJKX-UHFFFAOYSA-N 1 3 354.495 -0.108 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CCC1 ZINC000500771560 485288991 /nfs/dbraw/zinc/28/89/91/485288991.db2.gz KWEKFBOSKYCJKX-UHFFFAOYSA-N 1 3 354.495 -0.108 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500777457 485288973 /nfs/dbraw/zinc/28/89/73/485288973.db2.gz DVKNQEGSNFUDHZ-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503038643 483936242 /nfs/dbraw/zinc/93/62/42/483936242.db2.gz WJQNBSMCKRGTKH-UHFFFAOYSA-N 1 3 355.483 -0.486 20 0 FBADHO COCC[N@H+](C)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503038643 483936237 /nfs/dbraw/zinc/93/62/37/483936237.db2.gz WJQNBSMCKRGTKH-UHFFFAOYSA-N 1 3 355.483 -0.486 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503385781 483946312 /nfs/dbraw/zinc/94/63/12/483946312.db2.gz KTQVBWYQHPDIEO-UHFFFAOYSA-N 1 3 369.510 -0.096 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503385781 483946305 /nfs/dbraw/zinc/94/63/05/483946305.db2.gz KTQVBWYQHPDIEO-UHFFFAOYSA-N 1 3 369.510 -0.096 20 0 FBADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000504562209 483984801 /nfs/dbraw/zinc/98/48/01/483984801.db2.gz XOYIFKZJKACSQP-GOSISDBHSA-N 1 3 366.462 -0.006 20 0 FBADHO CN(C)CCOc1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000504562210 483984208 /nfs/dbraw/zinc/98/42/08/483984208.db2.gz XOYIFKZJKACSQP-SFHVURJKSA-N 1 3 366.462 -0.006 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)CNC(C)=O ZINC000505759900 484013415 /nfs/dbraw/zinc/01/34/15/484013415.db2.gz IAJCWJVRANUISC-HNNXBMFYSA-N 1 3 355.483 -0.887 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)CNC(C)=O ZINC000505759900 484013408 /nfs/dbraw/zinc/01/34/08/484013408.db2.gz IAJCWJVRANUISC-HNNXBMFYSA-N 1 3 355.483 -0.887 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)CNC(C)=O ZINC000505759901 484013500 /nfs/dbraw/zinc/01/35/00/484013500.db2.gz IAJCWJVRANUISC-OAHLLOKOSA-N 1 3 355.483 -0.887 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)CNC(C)=O ZINC000505759901 484013491 /nfs/dbraw/zinc/01/34/91/484013491.db2.gz IAJCWJVRANUISC-OAHLLOKOSA-N 1 3 355.483 -0.887 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCCS1(=O)=O ZINC000505816981 484013323 /nfs/dbraw/zinc/01/33/23/484013323.db2.gz DLODCRXTVAEAHN-HNNXBMFYSA-N 1 3 360.524 -0.104 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCCS1(=O)=O ZINC000505816981 484013317 /nfs/dbraw/zinc/01/33/17/484013317.db2.gz DLODCRXTVAEAHN-HNNXBMFYSA-N 1 3 360.524 -0.104 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCCS1(=O)=O ZINC000505816982 484013718 /nfs/dbraw/zinc/01/37/18/484013718.db2.gz DLODCRXTVAEAHN-OAHLLOKOSA-N 1 3 360.524 -0.104 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCCS1(=O)=O ZINC000505816982 484013713 /nfs/dbraw/zinc/01/37/13/484013713.db2.gz DLODCRXTVAEAHN-OAHLLOKOSA-N 1 3 360.524 -0.104 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000505826605 484013629 /nfs/dbraw/zinc/01/36/29/484013629.db2.gz TYSYFJYGWBOCJE-AWEZNQCLSA-N 1 3 353.467 -0.245 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000505826605 484013624 /nfs/dbraw/zinc/01/36/24/484013624.db2.gz TYSYFJYGWBOCJE-AWEZNQCLSA-N 1 3 353.467 -0.245 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000505826606 484013908 /nfs/dbraw/zinc/01/39/08/484013908.db2.gz TYSYFJYGWBOCJE-CQSZACIVSA-N 1 3 353.467 -0.245 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1C(=O)CN(C)C1=O ZINC000505826606 484013905 /nfs/dbraw/zinc/01/39/05/484013905.db2.gz TYSYFJYGWBOCJE-CQSZACIVSA-N 1 3 353.467 -0.245 20 0 FBADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000506122013 484023550 /nfs/dbraw/zinc/02/35/50/484023550.db2.gz XGUSPCWLMHEKCQ-KRWDZBQOSA-N 1 3 357.499 -0.459 20 0 FBADHO CN(C)C(=O)CCN1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000506122014 484024450 /nfs/dbraw/zinc/02/44/50/484024450.db2.gz XGUSPCWLMHEKCQ-QGZVFWFLSA-N 1 3 357.499 -0.459 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506469765 484031519 /nfs/dbraw/zinc/03/15/19/484031519.db2.gz LJXCESPOMBSBSU-PBHICJAKSA-N 1 3 357.499 -0.459 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506469766 484031558 /nfs/dbraw/zinc/03/15/58/484031558.db2.gz LJXCESPOMBSBSU-RHSMWYFYSA-N 1 3 357.499 -0.459 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000506469767 484031977 /nfs/dbraw/zinc/03/19/77/484031977.db2.gz LJXCESPOMBSBSU-WMLDXEAASA-N 1 3 357.499 -0.459 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000506469769 484032332 /nfs/dbraw/zinc/03/23/32/484032332.db2.gz LJXCESPOMBSBSU-YOEHRIQHSA-N 1 3 357.499 -0.459 20 0 FBADHO CC[NH+]1CCC(NC(=O)CN2CCC(C(=O)NCCN(C)C)CC2)CC1 ZINC000507370586 484050011 /nfs/dbraw/zinc/05/00/11/484050011.db2.gz JNFQJWUDZASKKL-UHFFFAOYSA-N 1 3 367.538 -0.023 20 0 FBADHO C[NH+](C)CCNC(=O)C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507385717 484051341 /nfs/dbraw/zinc/05/13/41/484051341.db2.gz KQWLPBRXRDOORA-UHFFFAOYSA-N 1 3 353.467 -0.293 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000509714140 484110001 /nfs/dbraw/zinc/11/00/01/484110001.db2.gz RRXDHBPDKUGOQB-UHFFFAOYSA-N 1 3 357.499 -0.240 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000509714140 484109998 /nfs/dbraw/zinc/10/99/98/484109998.db2.gz RRXDHBPDKUGOQB-UHFFFAOYSA-N 1 3 357.499 -0.240 20 0 FBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000509784287 484113919 /nfs/dbraw/zinc/11/39/19/484113919.db2.gz WVAQFLHBNLNGPE-HIFRSBDPSA-N 1 3 355.483 -0.855 20 0 FBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000509784288 484114412 /nfs/dbraw/zinc/11/44/12/484114412.db2.gz WVAQFLHBNLNGPE-ZFWWWQNUSA-N 1 3 355.483 -0.855 20 0 FBADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000512242216 484179391 /nfs/dbraw/zinc/17/93/91/484179391.db2.gz HICOHKYOAPOAAL-HNNXBMFYSA-N 1 3 357.499 -0.411 20 0 FBADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000512242231 484179414 /nfs/dbraw/zinc/17/94/14/484179414.db2.gz HICOHKYOAPOAAL-OAHLLOKOSA-N 1 3 357.499 -0.411 20 0 FBADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000512244106 484179017 /nfs/dbraw/zinc/17/90/17/484179017.db2.gz QNCFLGGIQOKGQJ-HNNXBMFYSA-N 1 3 371.526 -0.021 20 0 FBADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000512244107 484179349 /nfs/dbraw/zinc/17/93/49/484179349.db2.gz QNCFLGGIQOKGQJ-OAHLLOKOSA-N 1 3 371.526 -0.021 20 0 FBADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)NC(=O)NC1CC1 ZINC000512246674 484179274 /nfs/dbraw/zinc/17/92/74/484179274.db2.gz ZICTVYFQQFATNS-AWEZNQCLSA-N 1 3 355.483 -0.657 20 0 FBADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)NC(=O)NC1CC1 ZINC000512246680 484180328 /nfs/dbraw/zinc/18/03/28/484180328.db2.gz ZICTVYFQQFATNS-CQSZACIVSA-N 1 3 355.483 -0.657 20 0 FBADHO O=C(NCCCC[NH+]1CCN(CCO)CC1)NCCN1CCSCC1 ZINC000512607496 484190868 /nfs/dbraw/zinc/19/08/68/484190868.db2.gz UUAXOGGDCKODGT-UHFFFAOYSA-N 1 3 373.567 -0.276 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000512849834 484197415 /nfs/dbraw/zinc/19/74/15/484197415.db2.gz BIAANLRAHDLHIP-KRWDZBQOSA-N 1 3 353.511 -0.134 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000512849834 484197411 /nfs/dbraw/zinc/19/74/11/484197411.db2.gz BIAANLRAHDLHIP-KRWDZBQOSA-N 1 3 353.511 -0.134 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000512849835 484197473 /nfs/dbraw/zinc/19/74/73/484197473.db2.gz BIAANLRAHDLHIP-QGZVFWFLSA-N 1 3 353.511 -0.134 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000512849835 484197470 /nfs/dbraw/zinc/19/74/70/484197470.db2.gz BIAANLRAHDLHIP-QGZVFWFLSA-N 1 3 353.511 -0.134 20 0 FBADHO CN(C)S(=O)(=O)CCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513236096 484205311 /nfs/dbraw/zinc/20/53/11/484205311.db2.gz URYMRHWQWDZZRR-CABCVRRESA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C)S(=O)(=O)CCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513236097 484206190 /nfs/dbraw/zinc/20/61/90/484206190.db2.gz URYMRHWQWDZZRR-GJZGRUSLSA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C)S(=O)(=O)CCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513236098 484205330 /nfs/dbraw/zinc/20/53/30/484205330.db2.gz URYMRHWQWDZZRR-HUUCEWRRSA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C)S(=O)(=O)CCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513236099 484205489 /nfs/dbraw/zinc/20/54/89/484205489.db2.gz URYMRHWQWDZZRR-LSDHHAIUSA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000514083461 484298642 /nfs/dbraw/zinc/29/86/42/484298642.db2.gz NKJRWPVXQMLKGJ-UHFFFAOYSA-N 1 3 353.511 -0.460 20 0 FBADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000514552509 484522492 /nfs/dbraw/zinc/52/24/92/484522492.db2.gz WMNPPYGXNWBFRU-CYBMUJFWSA-N 1 3 352.435 -0.266 20 0 FBADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000514552513 484522469 /nfs/dbraw/zinc/52/24/69/484522469.db2.gz WMNPPYGXNWBFRU-ZDUSSCGKSA-N 1 3 352.435 -0.266 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000514610260 484530252 /nfs/dbraw/zinc/53/02/52/484530252.db2.gz SMUOCPCSARNZFL-HNNXBMFYSA-N 1 3 369.510 -0.545 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000514610261 484530044 /nfs/dbraw/zinc/53/00/44/484530044.db2.gz SMUOCPCSARNZFL-OAHLLOKOSA-N 1 3 369.510 -0.545 20 0 FBADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000514722583 485278761 /nfs/dbraw/zinc/27/87/61/485278761.db2.gz QNVIVSGAQPDYMW-FZKCQIBNSA-N 1 3 353.511 -0.430 20 0 FBADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000514722583 485278758 /nfs/dbraw/zinc/27/87/58/485278758.db2.gz QNVIVSGAQPDYMW-FZKCQIBNSA-N 1 3 353.511 -0.430 20 0 FBADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000514722584 485278728 /nfs/dbraw/zinc/27/87/28/485278728.db2.gz QNVIVSGAQPDYMW-QKPAOTATSA-N 1 3 353.511 -0.430 20 0 FBADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000514722584 485278724 /nfs/dbraw/zinc/27/87/24/485278724.db2.gz QNVIVSGAQPDYMW-QKPAOTATSA-N 1 3 353.511 -0.430 20 0 FBADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000514722585 485278545 /nfs/dbraw/zinc/27/85/45/485278545.db2.gz QNVIVSGAQPDYMW-QXSJWSMHSA-N 1 3 353.511 -0.430 20 0 FBADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000514722585 485278541 /nfs/dbraw/zinc/27/85/41/485278541.db2.gz QNVIVSGAQPDYMW-QXSJWSMHSA-N 1 3 353.511 -0.430 20 0 FBADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000514722586 485278909 /nfs/dbraw/zinc/27/89/09/485278909.db2.gz QNVIVSGAQPDYMW-XUWVNRHRSA-N 1 3 353.511 -0.430 20 0 FBADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000514722586 485278905 /nfs/dbraw/zinc/27/89/05/485278905.db2.gz QNVIVSGAQPDYMW-XUWVNRHRSA-N 1 3 353.511 -0.430 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCOCCN(C)C)CC1 ZINC000514735456 485278356 /nfs/dbraw/zinc/27/83/56/485278356.db2.gz DJMLJRSXYRXNAE-UHFFFAOYSA-N 1 3 357.499 -0.146 20 0 FBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)(C)C ZINC000514798234 485280523 /nfs/dbraw/zinc/28/05/23/485280523.db2.gz HKGJFBIAENSSJN-IHRRRGAJSA-N 1 3 367.494 -0.761 20 0 FBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)(C)C ZINC000514798235 485281224 /nfs/dbraw/zinc/28/12/24/485281224.db2.gz HKGJFBIAENSSJN-MCIONIFRSA-N 1 3 367.494 -0.761 20 0 FBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)(C)C ZINC000514798236 485280621 /nfs/dbraw/zinc/28/06/21/485280621.db2.gz HKGJFBIAENSSJN-MJBXVCDLSA-N 1 3 367.494 -0.761 20 0 FBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)(C)C ZINC000514798237 485281162 /nfs/dbraw/zinc/28/11/62/485281162.db2.gz HKGJFBIAENSSJN-RDBSUJKOSA-N 1 3 367.494 -0.761 20 0 FBADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000515241520 485292661 /nfs/dbraw/zinc/29/26/61/485292661.db2.gz KURZRVSCTHXOQJ-UHFFFAOYSA-N 1 3 356.467 -0.602 20 0 FBADHO CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000515273754 485292501 /nfs/dbraw/zinc/29/25/01/485292501.db2.gz BLFUCGBCXFHKMK-AWEZNQCLSA-N 1 3 352.435 -0.396 20 0 FBADHO CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000515273755 485292488 /nfs/dbraw/zinc/29/24/88/485292488.db2.gz BLFUCGBCXFHKMK-CQSZACIVSA-N 1 3 352.435 -0.396 20 0 FBADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383721 485295783 /nfs/dbraw/zinc/29/57/83/485295783.db2.gz UQHXMOLUYWIJJD-CVEARBPZSA-N 1 3 351.495 -0.673 20 0 FBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383721 485295781 /nfs/dbraw/zinc/29/57/81/485295781.db2.gz UQHXMOLUYWIJJD-CVEARBPZSA-N 1 3 351.495 -0.673 20 0 FBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383722 485295743 /nfs/dbraw/zinc/29/57/43/485295743.db2.gz UQHXMOLUYWIJJD-HOTGVXAUSA-N 1 3 351.495 -0.673 20 0 FBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383722 485295741 /nfs/dbraw/zinc/29/57/41/485295741.db2.gz UQHXMOLUYWIJJD-HOTGVXAUSA-N 1 3 351.495 -0.673 20 0 FBADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383723 485295988 /nfs/dbraw/zinc/29/59/88/485295988.db2.gz UQHXMOLUYWIJJD-HZPDHXFCSA-N 1 3 351.495 -0.673 20 0 FBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383723 485295986 /nfs/dbraw/zinc/29/59/86/485295986.db2.gz UQHXMOLUYWIJJD-HZPDHXFCSA-N 1 3 351.495 -0.673 20 0 FBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383724 485296070 /nfs/dbraw/zinc/29/60/70/485296070.db2.gz UQHXMOLUYWIJJD-JKSUJKDBSA-N 1 3 351.495 -0.673 20 0 FBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000515383724 485296066 /nfs/dbraw/zinc/29/60/66/485296066.db2.gz UQHXMOLUYWIJJD-JKSUJKDBSA-N 1 3 351.495 -0.673 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC000515402227 485296842 /nfs/dbraw/zinc/29/68/42/485296842.db2.gz LAIHBBISBZGXGY-UHFFFAOYSA-N 1 3 364.494 -0.002 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000515437641 485298071 /nfs/dbraw/zinc/29/80/71/485298071.db2.gz KQYMSRWEUPWGNZ-UHFFFAOYSA-N 1 3 371.526 -0.835 20 0 FBADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000516030207 485310495 /nfs/dbraw/zinc/31/04/95/485310495.db2.gz ZKPDRNCUXYPDBK-INIZCTEOSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000516030208 485310400 /nfs/dbraw/zinc/31/04/00/485310400.db2.gz ZKPDRNCUXYPDBK-MRXNPFEDSA-N 1 3 352.479 -0.042 20 0 FBADHO COC[C@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC[NH2+]C1 ZINC000516462910 485318679 /nfs/dbraw/zinc/31/86/79/485318679.db2.gz AFAWAORJSMBFJW-INIZCTEOSA-N 1 3 352.439 -0.875 20 0 FBADHO COC[C@@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC[NH2+]C1 ZINC000516462912 485319235 /nfs/dbraw/zinc/31/92/35/485319235.db2.gz AFAWAORJSMBFJW-MRXNPFEDSA-N 1 3 352.439 -0.875 20 0 FBADHO Cc1nnc([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000516511656 485319966 /nfs/dbraw/zinc/31/99/66/485319966.db2.gz XBDIUKCEZPJHMF-LLVKDONJSA-N 1 3 356.496 -0.024 20 0 FBADHO Cc1nnc([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000516511657 485320000 /nfs/dbraw/zinc/32/00/00/485320000.db2.gz XBDIUKCEZPJHMF-NSHDSACASA-N 1 3 356.496 -0.024 20 0 FBADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000516635424 484229311 /nfs/dbraw/zinc/22/93/11/484229311.db2.gz YJEKISXILCYLBB-KRWDZBQOSA-N 1 3 361.490 -0.144 20 0 FBADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000516635424 484229304 /nfs/dbraw/zinc/22/93/04/484229304.db2.gz YJEKISXILCYLBB-KRWDZBQOSA-N 1 3 361.490 -0.144 20 0 FBADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000516635425 484229161 /nfs/dbraw/zinc/22/91/61/484229161.db2.gz YJEKISXILCYLBB-QGZVFWFLSA-N 1 3 361.490 -0.144 20 0 FBADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000516635425 484229152 /nfs/dbraw/zinc/22/91/52/484229152.db2.gz YJEKISXILCYLBB-QGZVFWFLSA-N 1 3 361.490 -0.144 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000516856854 484242006 /nfs/dbraw/zinc/24/20/06/484242006.db2.gz DHFJKUOTGOCRGD-BZUAXINKSA-N 1 3 367.538 -0.040 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000516856856 484242520 /nfs/dbraw/zinc/24/25/20/484242520.db2.gz DHFJKUOTGOCRGD-OAGGEKHMSA-N 1 3 367.538 -0.040 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000516856857 484242777 /nfs/dbraw/zinc/24/27/77/484242777.db2.gz DHFJKUOTGOCRGD-OWCLPIDISA-N 1 3 367.538 -0.040 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000516856857 484242774 /nfs/dbraw/zinc/24/27/74/484242774.db2.gz DHFJKUOTGOCRGD-OWCLPIDISA-N 1 3 367.538 -0.040 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000516856858 484241675 /nfs/dbraw/zinc/24/16/75/484241675.db2.gz DHFJKUOTGOCRGD-XHSDSOJGSA-N 1 3 367.538 -0.040 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000516856858 484241668 /nfs/dbraw/zinc/24/16/68/484241668.db2.gz DHFJKUOTGOCRGD-XHSDSOJGSA-N 1 3 367.538 -0.040 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000516912949 484245098 /nfs/dbraw/zinc/24/50/98/484245098.db2.gz XANRGLHTCAIZSL-GOSISDBHSA-N 1 3 353.511 -0.508 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000516912949 484245095 /nfs/dbraw/zinc/24/50/95/484245095.db2.gz XANRGLHTCAIZSL-GOSISDBHSA-N 1 3 353.511 -0.508 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000516912950 484245383 /nfs/dbraw/zinc/24/53/83/484245383.db2.gz XANRGLHTCAIZSL-SFHVURJKSA-N 1 3 353.511 -0.508 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000516912950 484245374 /nfs/dbraw/zinc/24/53/74/484245374.db2.gz XANRGLHTCAIZSL-SFHVURJKSA-N 1 3 353.511 -0.508 20 0 FBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000516924217 483733080 /nfs/dbraw/zinc/73/30/80/483733080.db2.gz IJNSNALLZJOIJT-HNNXBMFYSA-N 1 3 365.478 -0.989 20 0 FBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000516924218 483733064 /nfs/dbraw/zinc/73/30/64/483733064.db2.gz IJNSNALLZJOIJT-OAHLLOKOSA-N 1 3 365.478 -0.989 20 0 FBADHO CC1(C)CN(C(=O)C[C@@]2(C(=O)N3CCNC(C)(C)C3)CC[NH2+]C2)CCN1 ZINC000516971040 484249246 /nfs/dbraw/zinc/24/92/46/484249246.db2.gz SSMMYWBZJDEKIL-IBGZPJMESA-N 1 3 365.522 -0.223 20 0 FBADHO CC1(C)CN(C(=O)C[C@]2(C(=O)N3CCNC(C)(C)C3)CC[NH2+]C2)CCN1 ZINC000516971103 484248999 /nfs/dbraw/zinc/24/89/99/484248999.db2.gz SSMMYWBZJDEKIL-LJQANCHMSA-N 1 3 365.522 -0.223 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)C[C@H]2N)cn1 ZINC000517024849 484250838 /nfs/dbraw/zinc/25/08/38/484250838.db2.gz ICAVIGBWOBYHIX-LLLHUVSDSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)C[C@H]2N)cn1 ZINC000517024849 484250830 /nfs/dbraw/zinc/25/08/30/484250830.db2.gz ICAVIGBWOBYHIX-LLLHUVSDSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C[C@H]2N)cn1 ZINC000517024850 484250419 /nfs/dbraw/zinc/25/04/19/484250419.db2.gz ICAVIGBWOBYHIX-QMCVQRASSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C[C@H]2N)cn1 ZINC000517024850 484250414 /nfs/dbraw/zinc/25/04/14/484250414.db2.gz ICAVIGBWOBYHIX-QMCVQRASSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)C[C@H]2N)cn1 ZINC000517024851 484250948 /nfs/dbraw/zinc/25/09/48/484250948.db2.gz ICAVIGBWOBYHIX-XBVQOTNRSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C[C@H]2N)cn1 ZINC000517024851 484250939 /nfs/dbraw/zinc/25/09/39/484250939.db2.gz ICAVIGBWOBYHIX-XBVQOTNRSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C[C@H]2N)cn1 ZINC000517024852 484250292 /nfs/dbraw/zinc/25/02/92/484250292.db2.gz ICAVIGBWOBYHIX-XLNGHYISSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C[C@H]2N)cn1 ZINC000517024852 484250290 /nfs/dbraw/zinc/25/02/90/484250290.db2.gz ICAVIGBWOBYHIX-XLNGHYISSA-N 1 3 374.489 -0.384 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000517190601 484259152 /nfs/dbraw/zinc/25/91/52/484259152.db2.gz RIFMXCSKRVSFHH-UHFFFAOYSA-N 1 3 355.527 -0.214 20 0 FBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CNC[C@H]2CCCO2)c1 ZINC000517742620 483409860 /nfs/dbraw/zinc/40/98/60/483409860.db2.gz SJESGZMGRGWLHF-CYBMUJFWSA-N 1 3 356.448 -0.369 20 0 FBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CNC[C@@H]2CCCO2)c1 ZINC000517742621 483409834 /nfs/dbraw/zinc/40/98/34/483409834.db2.gz SJESGZMGRGWLHF-ZDUSSCGKSA-N 1 3 356.448 -0.369 20 0 FBADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000517902428 483755111 /nfs/dbraw/zinc/75/51/11/483755111.db2.gz IGEQBXYOIMRCCR-NVXWUHKLSA-N 1 3 360.458 -0.272 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000517903133 483755181 /nfs/dbraw/zinc/75/51/81/483755181.db2.gz ORMQOMOXYMXDJK-BBWFWOEESA-N 1 3 367.538 -0.038 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000517903133 483755180 /nfs/dbraw/zinc/75/51/80/483755180.db2.gz ORMQOMOXYMXDJK-BBWFWOEESA-N 1 3 367.538 -0.038 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000517903134 483755239 /nfs/dbraw/zinc/75/52/39/483755239.db2.gz ORMQOMOXYMXDJK-BRWVUGGUSA-N 1 3 367.538 -0.038 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000517903136 483755235 /nfs/dbraw/zinc/75/52/35/483755235.db2.gz ORMQOMOXYMXDJK-IXDOHACOSA-N 1 3 367.538 -0.038 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000517903136 483755233 /nfs/dbraw/zinc/75/52/33/483755233.db2.gz ORMQOMOXYMXDJK-IXDOHACOSA-N 1 3 367.538 -0.038 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000517903138 483755025 /nfs/dbraw/zinc/75/50/25/483755025.db2.gz ORMQOMOXYMXDJK-ZACQAIPSSA-N 1 3 367.538 -0.038 20 0 FBADHO CN1CCC(C[NH2+]C[C@H](O)CN2CCOCC2)(N2CCOCC2)CC1 ZINC000518759384 484284168 /nfs/dbraw/zinc/28/41/68/484284168.db2.gz RQBFCHPCYGSLCZ-KRWDZBQOSA-N 1 3 356.511 -0.934 20 0 FBADHO CN1CCC(C[NH2+]C[C@@H](O)CN2CCOCC2)(N2CCOCC2)CC1 ZINC000518759385 484283941 /nfs/dbraw/zinc/28/39/41/484283941.db2.gz RQBFCHPCYGSLCZ-QGZVFWFLSA-N 1 3 356.511 -0.934 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000518772228 484426396 /nfs/dbraw/zinc/42/63/96/484426396.db2.gz CFFWRRRRPNEDDO-JQWIXIFHSA-N 1 3 353.389 -0.962 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000518772229 484427042 /nfs/dbraw/zinc/42/70/42/484427042.db2.gz CFFWRRRRPNEDDO-PWSUYJOCSA-N 1 3 353.389 -0.962 20 0 FBADHO CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCN1C)N(C)C ZINC000518783114 483495414 /nfs/dbraw/zinc/49/54/14/483495414.db2.gz ZUXIXZDWVBDWIA-ARFHVFGLSA-N 1 3 355.527 -0.074 20 0 FBADHO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCN1C)N(C)C ZINC000518783115 483494841 /nfs/dbraw/zinc/49/48/41/483494841.db2.gz ZUXIXZDWVBDWIA-BZUAXINKSA-N 1 3 355.527 -0.074 20 0 FBADHO CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCN1C)N(C)C ZINC000518783116 483495101 /nfs/dbraw/zinc/49/51/01/483495101.db2.gz ZUXIXZDWVBDWIA-OAGGEKHMSA-N 1 3 355.527 -0.074 20 0 FBADHO CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCN1C)N(C)C ZINC000518783117 483495170 /nfs/dbraw/zinc/49/51/70/483495170.db2.gz ZUXIXZDWVBDWIA-XHSDSOJGSA-N 1 3 355.527 -0.074 20 0 FBADHO CN(C)S(=O)(=O)n1ccnc1CNCC1CCN(CC[NH+](C)C)CC1 ZINC000518848507 484109533 /nfs/dbraw/zinc/10/95/33/484109533.db2.gz JSSYNMIILMFRDJ-UHFFFAOYSA-N 1 3 372.539 -0.099 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCS(=O)(=O)NC)CC2)CC1 ZINC000518997471 484134217 /nfs/dbraw/zinc/13/42/17/484134217.db2.gz XYVMPPKZCVYHRL-UHFFFAOYSA-N 1 3 360.524 -0.152 20 0 FBADHO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000519426701 484166677 /nfs/dbraw/zinc/16/66/77/484166677.db2.gz MXPNFXRPNLKPHF-CVEARBPZSA-N 1 3 373.457 -0.865 20 0 FBADHO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000519426702 484166398 /nfs/dbraw/zinc/16/63/98/484166398.db2.gz MXPNFXRPNLKPHF-HOTGVXAUSA-N 1 3 373.457 -0.865 20 0 FBADHO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000519426703 484166783 /nfs/dbraw/zinc/16/67/83/484166783.db2.gz MXPNFXRPNLKPHF-HZPDHXFCSA-N 1 3 373.457 -0.865 20 0 FBADHO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000519426704 484166504 /nfs/dbraw/zinc/16/65/04/484166504.db2.gz MXPNFXRPNLKPHF-JKSUJKDBSA-N 1 3 373.457 -0.865 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000519634108 484181015 /nfs/dbraw/zinc/18/10/15/484181015.db2.gz FOVJPDBFMQIQQZ-INIZCTEOSA-N 1 3 354.495 -0.129 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000519634116 484180798 /nfs/dbraw/zinc/18/07/98/484180798.db2.gz FOVJPDBFMQIQQZ-MRXNPFEDSA-N 1 3 354.495 -0.129 20 0 FBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000519636569 484180752 /nfs/dbraw/zinc/18/07/52/484180752.db2.gz XRWXIUNSNHWINZ-CVEARBPZSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000519636569 484180748 /nfs/dbraw/zinc/18/07/48/484180748.db2.gz XRWXIUNSNHWINZ-CVEARBPZSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000519636598 484180788 /nfs/dbraw/zinc/18/07/88/484180788.db2.gz XRWXIUNSNHWINZ-HOTGVXAUSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000519636598 484180784 /nfs/dbraw/zinc/18/07/84/484180784.db2.gz XRWXIUNSNHWINZ-HOTGVXAUSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000519636600 484180679 /nfs/dbraw/zinc/18/06/79/484180679.db2.gz XRWXIUNSNHWINZ-HZPDHXFCSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000519636600 484180675 /nfs/dbraw/zinc/18/06/75/484180675.db2.gz XRWXIUNSNHWINZ-HZPDHXFCSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000519636603 484180358 /nfs/dbraw/zinc/18/03/58/484180358.db2.gz XRWXIUNSNHWINZ-JKSUJKDBSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000519636603 484180353 /nfs/dbraw/zinc/18/03/53/484180353.db2.gz XRWXIUNSNHWINZ-JKSUJKDBSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)N1CCN(C)CC1 ZINC000519650698 484181111 /nfs/dbraw/zinc/18/11/11/484181111.db2.gz OWHVMNQCXYDVGN-JYJNAYRXSA-N 1 3 366.510 -0.788 20 0 FBADHO CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)N1CCN(C)CC1 ZINC000519650736 484181051 /nfs/dbraw/zinc/18/10/51/484181051.db2.gz OWHVMNQCXYDVGN-OAGGEKHMSA-N 1 3 366.510 -0.788 20 0 FBADHO CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)N1CCN(C)CC1 ZINC000519650739 484181309 /nfs/dbraw/zinc/18/13/09/484181309.db2.gz OWHVMNQCXYDVGN-PMPSAXMXSA-N 1 3 366.510 -0.788 20 0 FBADHO CC(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)N1CCN(C)CC1 ZINC000519650744 484180891 /nfs/dbraw/zinc/18/08/91/484180891.db2.gz OWHVMNQCXYDVGN-XHSDSOJGSA-N 1 3 366.510 -0.788 20 0 FBADHO COC1([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCOCC1 ZINC000519698791 484185791 /nfs/dbraw/zinc/18/57/91/484185791.db2.gz VEWNWPGIPXUHIZ-HNNXBMFYSA-N 1 3 372.510 -0.362 20 0 FBADHO COC1([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCOCC1 ZINC000519698801 484185376 /nfs/dbraw/zinc/18/53/76/484185376.db2.gz VEWNWPGIPXUHIZ-OAHLLOKOSA-N 1 3 372.510 -0.362 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000519750972 484187403 /nfs/dbraw/zinc/18/74/03/484187403.db2.gz OBEVVNDIEKODBB-UHFFFAOYSA-N 1 3 370.494 -0.654 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@@H](CN)C1 ZINC000519766577 484188699 /nfs/dbraw/zinc/18/86/99/484188699.db2.gz SABFNYQCHUQBHP-INIZCTEOSA-N 1 3 351.495 -0.578 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)[C@H](CN)C1 ZINC000519766634 484189365 /nfs/dbraw/zinc/18/93/65/484189365.db2.gz SABFNYQCHUQBHP-MRXNPFEDSA-N 1 3 351.495 -0.578 20 0 FBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000519848387 484193127 /nfs/dbraw/zinc/19/31/27/484193127.db2.gz HKUJBGZRRZOZHI-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CCC(N)=O)CC1 ZINC000520187237 484207496 /nfs/dbraw/zinc/20/74/96/484207496.db2.gz QITNAFUZYWSJMI-UHFFFAOYSA-N 1 3 369.510 -0.558 20 0 FBADHO CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](CN)C1 ZINC000520205269 484211325 /nfs/dbraw/zinc/21/13/25/484211325.db2.gz OGTJEWGDJUFNTI-INIZCTEOSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H](CN)C1 ZINC000520205273 484211502 /nfs/dbraw/zinc/21/15/02/484211502.db2.gz OGTJEWGDJUFNTI-MRXNPFEDSA-N 1 3 351.495 -0.389 20 0 FBADHO COc1cc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000520371998 484237371 /nfs/dbraw/zinc/23/73/71/484237371.db2.gz MHTSUCRXZMDJKS-UHFFFAOYSA-N 1 3 351.451 -0.342 20 0 FBADHO CCN(CC)CC(=O)N1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000520737018 484285512 /nfs/dbraw/zinc/28/55/12/484285512.db2.gz QHGJHRJINIQEKP-HNNXBMFYSA-N 1 3 367.494 -0.839 20 0 FBADHO CCN(CC)CC(=O)N1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000520737019 484286445 /nfs/dbraw/zinc/28/64/45/484286445.db2.gz QHGJHRJINIQEKP-OAHLLOKOSA-N 1 3 367.494 -0.839 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000520752037 484288361 /nfs/dbraw/zinc/28/83/61/484288361.db2.gz QOVISPDNQFPKAA-UHFFFAOYSA-N 1 3 355.527 -0.073 20 0 FBADHO COCCN(C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000520979808 484279242 /nfs/dbraw/zinc/27/92/42/484279242.db2.gz OIPUGILPHGYDLA-UHFFFAOYSA-N 1 3 357.499 -0.194 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)CN1CCN(C)CC1 ZINC000521259460 484287130 /nfs/dbraw/zinc/28/71/30/484287130.db2.gz OPEYYFCPOXDFDV-HNNXBMFYSA-N 1 3 353.511 -0.427 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)CN1CCN(C)CC1 ZINC000521259463 484287403 /nfs/dbraw/zinc/28/74/03/484287403.db2.gz OPEYYFCPOXDFDV-OAHLLOKOSA-N 1 3 353.511 -0.427 20 0 FBADHO CN(CCCN(C)CC(=O)N1CCN(C(=O)C2CC2)CC1)CC[NH+](C)C ZINC000521502875 484293712 /nfs/dbraw/zinc/29/37/12/484293712.db2.gz HKEKSSZONCAWNH-UHFFFAOYSA-N 1 3 367.538 -0.118 20 0 FBADHO O=C(COCC(=O)N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000521677928 484301999 /nfs/dbraw/zinc/30/19/99/484301999.db2.gz OAZFEJOKVUFNRS-KBPBESRZSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(COCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000521677928 484301992 /nfs/dbraw/zinc/30/19/92/484301992.db2.gz OAZFEJOKVUFNRS-KBPBESRZSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(COCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000521677932 484301690 /nfs/dbraw/zinc/30/16/90/484301690.db2.gz OAZFEJOKVUFNRS-ZIAGYGMSSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(COCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000521677932 484301683 /nfs/dbraw/zinc/30/16/83/484301683.db2.gz OAZFEJOKVUFNRS-ZIAGYGMSSA-N 1 3 350.463 -0.291 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000522005342 484315347 /nfs/dbraw/zinc/31/53/47/484315347.db2.gz WUEVDHDOZDWERO-UHFFFAOYSA-N 1 3 352.439 -0.709 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000522006952 484315056 /nfs/dbraw/zinc/31/50/56/484315056.db2.gz YDXKRXFJQPDOQY-INMHGKMJSA-N 1 3 352.479 -0.249 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000522006953 484314940 /nfs/dbraw/zinc/31/49/40/484314940.db2.gz YDXKRXFJQPDOQY-UXLLHSPISA-N 1 3 352.479 -0.249 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522289105 484327233 /nfs/dbraw/zinc/32/72/33/484327233.db2.gz OSHPRAQMGWAPBS-INIZCTEOSA-N 1 3 353.511 -0.088 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522289105 484327227 /nfs/dbraw/zinc/32/72/27/484327227.db2.gz OSHPRAQMGWAPBS-INIZCTEOSA-N 1 3 353.511 -0.088 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000522289105 484327223 /nfs/dbraw/zinc/32/72/23/484327223.db2.gz OSHPRAQMGWAPBS-INIZCTEOSA-N 1 3 353.511 -0.088 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522289106 484327147 /nfs/dbraw/zinc/32/71/47/484327147.db2.gz OSHPRAQMGWAPBS-MRXNPFEDSA-N 1 3 353.511 -0.088 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522289106 484327141 /nfs/dbraw/zinc/32/71/41/484327141.db2.gz OSHPRAQMGWAPBS-MRXNPFEDSA-N 1 3 353.511 -0.088 20 0 FBADHO O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000522289106 484327136 /nfs/dbraw/zinc/32/71/36/484327136.db2.gz OSHPRAQMGWAPBS-MRXNPFEDSA-N 1 3 353.511 -0.088 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCC(=O)NC1=O ZINC000522666512 484335932 /nfs/dbraw/zinc/33/59/32/484335932.db2.gz KIEWDWJFMWICAT-AWEZNQCLSA-N 1 3 353.467 -0.197 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCC(=O)NC1=O ZINC000522666512 484335928 /nfs/dbraw/zinc/33/59/28/484335928.db2.gz KIEWDWJFMWICAT-AWEZNQCLSA-N 1 3 353.467 -0.197 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCC(=O)NC1=O ZINC000522666513 484335656 /nfs/dbraw/zinc/33/56/56/484335656.db2.gz KIEWDWJFMWICAT-CQSZACIVSA-N 1 3 353.467 -0.197 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCC(=O)NC1=O ZINC000522666513 484335654 /nfs/dbraw/zinc/33/56/54/484335654.db2.gz KIEWDWJFMWICAT-CQSZACIVSA-N 1 3 353.467 -0.197 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974615 484339986 /nfs/dbraw/zinc/33/99/86/484339986.db2.gz WOTNRKGOCOBSDZ-CABCVRRESA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974615 484339979 /nfs/dbraw/zinc/33/99/79/484339979.db2.gz WOTNRKGOCOBSDZ-CABCVRRESA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974616 484339650 /nfs/dbraw/zinc/33/96/50/484339650.db2.gz WOTNRKGOCOBSDZ-GJZGRUSLSA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974616 484339645 /nfs/dbraw/zinc/33/96/45/484339645.db2.gz WOTNRKGOCOBSDZ-GJZGRUSLSA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974617 484341212 /nfs/dbraw/zinc/34/12/12/484341212.db2.gz WOTNRKGOCOBSDZ-HUUCEWRRSA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000522974617 484341205 /nfs/dbraw/zinc/34/12/05/484341205.db2.gz WOTNRKGOCOBSDZ-HUUCEWRRSA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974618 484341275 /nfs/dbraw/zinc/34/12/75/484341275.db2.gz WOTNRKGOCOBSDZ-LSDHHAIUSA-N 1 3 355.483 -0.406 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000522974618 484341268 /nfs/dbraw/zinc/34/12/68/484341268.db2.gz WOTNRKGOCOBSDZ-LSDHHAIUSA-N 1 3 355.483 -0.406 20 0 FBADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCC(=O)NC(N)=O)CC1 ZINC000524857094 484396220 /nfs/dbraw/zinc/39/62/20/484396220.db2.gz PKKXDISMFDSVGA-UHFFFAOYSA-N 1 3 355.483 -0.013 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cccnc1 ZINC000524903331 484397472 /nfs/dbraw/zinc/39/74/72/484397472.db2.gz JVJFOFFUOGUNTO-UHFFFAOYSA-N 1 3 350.467 -0.054 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000525419334 484407264 /nfs/dbraw/zinc/40/72/64/484407264.db2.gz SADAZTYLXSZPBG-UHFFFAOYSA-N 1 3 356.515 -0.715 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000525439486 483428283 /nfs/dbraw/zinc/42/82/83/483428283.db2.gz VSVQBPRBJLLUPM-UHFFFAOYSA-N 1 3 370.542 -0.326 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000525446887 483498079 /nfs/dbraw/zinc/49/80/79/483498079.db2.gz HMPGTFSQPRWGGJ-HNNXBMFYSA-N 1 3 369.510 -0.315 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000525446888 483498699 /nfs/dbraw/zinc/49/86/99/483498699.db2.gz HMPGTFSQPRWGGJ-OAHLLOKOSA-N 1 3 369.510 -0.315 20 0 FBADHO CC(C)NS(=O)(=O)CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525447059 483498760 /nfs/dbraw/zinc/49/87/60/483498760.db2.gz NNYHUVSMDAWIRL-UHFFFAOYSA-N 1 3 351.517 -0.551 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000525882375 484088873 /nfs/dbraw/zinc/08/88/73/484088873.db2.gz ORUSWTJYOWUMKZ-UHFFFAOYSA-N 1 3 353.471 -0.077 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000525882714 484084877 /nfs/dbraw/zinc/08/48/77/484084877.db2.gz KYWWTTAZGWBVQL-UHFFFAOYSA-N 1 3 374.449 -0.447 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000525882774 484085009 /nfs/dbraw/zinc/08/50/09/484085009.db2.gz WEHNIXNVMGOGAT-UHFFFAOYSA-N 1 3 367.425 -0.185 20 0 FBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn(C)c1=O ZINC000525882793 484084973 /nfs/dbraw/zinc/08/49/73/484084973.db2.gz FJCVEMHWGLSPSH-UHFFFAOYSA-N 1 3 351.451 -0.416 20 0 FBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C(N)=O ZINC000525882868 484084662 /nfs/dbraw/zinc/08/46/62/484084662.db2.gz JYYLJXAYITTWQL-UHFFFAOYSA-N 1 3 363.462 -0.016 20 0 FBADHO CNC(=O)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000525882885 484084729 /nfs/dbraw/zinc/08/47/29/484084729.db2.gz UKSZMSDSEKYHOC-UHFFFAOYSA-N 1 3 363.462 -0.064 20 0 FBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)n(C)c1 ZINC000525882931 484084265 /nfs/dbraw/zinc/08/42/65/484084265.db2.gz OYUASCSGBWGVAM-UHFFFAOYSA-N 1 3 351.451 -0.416 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000525882945 484084672 /nfs/dbraw/zinc/08/46/72/484084672.db2.gz SWZYFNZAIVRYPY-UHFFFAOYSA-N 1 3 367.425 -0.185 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000525884082 484085087 /nfs/dbraw/zinc/08/50/87/484085087.db2.gz UIDLORAWFBHPMF-UHFFFAOYSA-N 1 3 353.471 -0.072 20 0 FBADHO CNC(=O)Cn1nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000525890456 484175114 /nfs/dbraw/zinc/17/51/14/484175114.db2.gz GOQIELOUTYPEPQ-UHFFFAOYSA-N 1 3 353.471 -0.105 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000526131809 484470781 /nfs/dbraw/zinc/47/07/81/484470781.db2.gz RNRMWJZGZNUEAI-UHFFFAOYSA-N 1 3 374.449 -0.447 20 0 FBADHO COCc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ncn1 ZINC000526131870 484470520 /nfs/dbraw/zinc/47/05/20/484470520.db2.gz DDMFQYDOXVNBSE-UHFFFAOYSA-N 1 3 352.439 -0.487 20 0 FBADHO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526132083 484470962 /nfs/dbraw/zinc/47/09/62/484470962.db2.gz BDSJSDDNLIIRRC-UHFFFAOYSA-N 1 3 363.462 -0.016 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000526132140 484470395 /nfs/dbraw/zinc/47/03/95/484470395.db2.gz DMLGPBRCXXDIEH-UHFFFAOYSA-N 1 3 374.449 -0.447 20 0 FBADHO CNC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526132143 484470713 /nfs/dbraw/zinc/47/07/13/484470713.db2.gz FYQKZTUWOSSEMJ-UHFFFAOYSA-N 1 3 363.462 -0.064 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000526132161 484470612 /nfs/dbraw/zinc/47/06/12/484470612.db2.gz OSTUGCNBIYKGDE-UHFFFAOYSA-N 1 3 350.467 -0.201 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000526133597 483757321 /nfs/dbraw/zinc/75/73/21/483757321.db2.gz JAWGXYDEGZCZAF-UHFFFAOYSA-N 1 3 354.459 -0.677 20 0 FBADHO CCS(=O)(=O)N1CC(CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000526191887 484473322 /nfs/dbraw/zinc/47/33/22/484473322.db2.gz FJCKSWWFPUQDTG-UHFFFAOYSA-N 1 3 363.528 -0.597 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000527124220 485136463 /nfs/dbraw/zinc/13/64/63/485136463.db2.gz XACTXCCGWFGIBR-UHFFFAOYSA-N 1 3 351.455 -0.567 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000527124465 485136187 /nfs/dbraw/zinc/13/61/87/485136187.db2.gz PIPLLGLXZFXIDA-UHFFFAOYSA-N 1 3 367.425 -0.185 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000527373995 484173248 /nfs/dbraw/zinc/17/32/48/484173248.db2.gz LDIBNLAYXZQVQJ-UHFFFAOYSA-N 1 3 374.449 -0.447 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000527374076 484172752 /nfs/dbraw/zinc/17/27/52/484172752.db2.gz VVBPYFXQYPNXCP-UHFFFAOYSA-N 1 3 374.449 -0.447 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000527374269 484172681 /nfs/dbraw/zinc/17/26/81/484172681.db2.gz CKRNLICDMHCIHU-UHFFFAOYSA-N 1 3 351.455 -0.567 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000527374350 484172950 /nfs/dbraw/zinc/17/29/50/484172950.db2.gz KMJVJEWJCQSIPU-UHFFFAOYSA-N 1 3 350.423 -0.929 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000527376698 484088295 /nfs/dbraw/zinc/08/82/95/484088295.db2.gz JRBAYCZOKJRPGV-UHFFFAOYSA-N 1 3 353.471 -0.072 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC1(C[NH3+])CCOCC1 ZINC000528057446 485158514 /nfs/dbraw/zinc/15/85/14/485158514.db2.gz WAUBSANHTBNVFK-UHFFFAOYSA-N 1 3 359.496 -0.152 20 0 FBADHO CCN1CCN(CCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000530576288 483506281 /nfs/dbraw/zinc/50/62/81/483506281.db2.gz BTMRVOGAXIHVQV-INIZCTEOSA-N 1 3 353.511 -0.282 20 0 FBADHO CCN1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000530576288 483506275 /nfs/dbraw/zinc/50/62/75/483506275.db2.gz BTMRVOGAXIHVQV-INIZCTEOSA-N 1 3 353.511 -0.282 20 0 FBADHO CCN1CCN(CCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000530576289 483506155 /nfs/dbraw/zinc/50/61/55/483506155.db2.gz BTMRVOGAXIHVQV-MRXNPFEDSA-N 1 3 353.511 -0.282 20 0 FBADHO CCN1CCN(CCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000530576289 483506153 /nfs/dbraw/zinc/50/61/53/483506153.db2.gz BTMRVOGAXIHVQV-MRXNPFEDSA-N 1 3 353.511 -0.282 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000530641173 483510207 /nfs/dbraw/zinc/51/02/07/483510207.db2.gz BSEMOBZMHQRJFL-UHFFFAOYSA-N 1 3 371.507 -0.346 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000530641809 483510467 /nfs/dbraw/zinc/51/04/67/483510467.db2.gz PUAXZUILOKDSGF-UHFFFAOYSA-N 1 3 371.507 -0.298 20 0 FBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)CC1=O ZINC000530823243 483541304 /nfs/dbraw/zinc/54/13/04/483541304.db2.gz RGRCZUFGHFCGBX-KRWDZBQOSA-N 1 3 366.506 -0.033 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CC3CCOCC3)CC2)CC1=O ZINC000530823246 483540217 /nfs/dbraw/zinc/54/02/17/483540217.db2.gz RGRCZUFGHFCGBX-QGZVFWFLSA-N 1 3 366.506 -0.033 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000531009583 483832736 /nfs/dbraw/zinc/83/27/36/483832736.db2.gz RQAGJYDQXWJGJM-UHFFFAOYSA-N 1 3 360.480 -0.106 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000531077307 483839904 /nfs/dbraw/zinc/83/99/04/483839904.db2.gz UORVTDRQEDSRQP-UHFFFAOYSA-N 1 3 363.528 -0.455 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000531118705 483899461 /nfs/dbraw/zinc/89/94/61/483899461.db2.gz XDVJZHRSXOYMCU-KRWDZBQOSA-N 1 3 353.467 -0.341 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000531118706 483899278 /nfs/dbraw/zinc/89/92/78/483899278.db2.gz XDVJZHRSXOYMCU-QGZVFWFLSA-N 1 3 353.467 -0.341 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000531118939 483905275 /nfs/dbraw/zinc/90/52/75/483905275.db2.gz OYZJJBGIVPWWTQ-UHFFFAOYSA-N 1 3 359.496 -0.170 20 0 FBADHO CCS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000531119045 483910645 /nfs/dbraw/zinc/91/06/45/483910645.db2.gz WEIZNPXCPNJHRS-UHFFFAOYSA-N 1 3 362.540 0.000 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CSCC(=O)N1CCOCC1 ZINC000531357674 483742967 /nfs/dbraw/zinc/74/29/67/483742967.db2.gz URPLMAXZQHCELE-UHFFFAOYSA-N 1 3 360.524 -0.470 20 0 FBADHO Cc1nc2nc(N)nn2c(C)c1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357764 484546798 /nfs/dbraw/zinc/54/67/98/484546798.db2.gz IACCSQBKXWIPCQ-UHFFFAOYSA-N 1 3 362.482 -0.182 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000531357948 483743288 /nfs/dbraw/zinc/74/32/88/483743288.db2.gz UXNIOJDYVYPUCI-UHFFFAOYSA-N 1 3 353.467 -0.197 20 0 FBADHO CC[NH+]1CCN(CCC(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000531618452 484017211 /nfs/dbraw/zinc/01/72/11/484017211.db2.gz PXHHRNUCCDMHJL-UHFFFAOYSA-N 1 3 353.511 -0.364 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000533119423 485186519 /nfs/dbraw/zinc/18/65/19/485186519.db2.gz PYUMVLRDABKIIW-CQSZACIVSA-N 1 3 363.528 -0.455 20 0 FBADHO CN(CCCC[N@@H+](C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000535006257 483876491 /nfs/dbraw/zinc/87/64/91/483876491.db2.gz MMPHHKYCRKBLRA-UHFFFAOYSA-N 1 3 370.494 -0.652 20 0 FBADHO CN(CCCC[N@H+](C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000535006257 483876489 /nfs/dbraw/zinc/87/64/89/483876489.db2.gz MMPHHKYCRKBLRA-UHFFFAOYSA-N 1 3 370.494 -0.652 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1=O ZINC000535442137 483896144 /nfs/dbraw/zinc/89/61/44/483896144.db2.gz MKSKWKWLSLGFGE-HNNXBMFYSA-N 1 3 354.495 -0.298 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1=O ZINC000535442137 483896142 /nfs/dbraw/zinc/89/61/42/483896142.db2.gz MKSKWKWLSLGFGE-HNNXBMFYSA-N 1 3 354.495 -0.298 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1=O ZINC000535442144 483896314 /nfs/dbraw/zinc/89/63/14/483896314.db2.gz MKSKWKWLSLGFGE-OAHLLOKOSA-N 1 3 354.495 -0.298 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1=O ZINC000535442144 483896312 /nfs/dbraw/zinc/89/63/12/483896312.db2.gz MKSKWKWLSLGFGE-OAHLLOKOSA-N 1 3 354.495 -0.298 20 0 FBADHO COCC1(O)CCN(CCOCC[NH+]2CCC(O)(COC)CC2)CC1 ZINC000536181678 484157418 /nfs/dbraw/zinc/15/74/18/484157418.db2.gz YTLGKKBKLVILNT-UHFFFAOYSA-N 1 3 360.495 -0.050 20 0 FBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000536541427 484332157 /nfs/dbraw/zinc/33/21/57/484332157.db2.gz WWHYEWAHCWSDSO-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000536541428 484330812 /nfs/dbraw/zinc/33/08/12/484330812.db2.gz WWHYEWAHCWSDSO-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO COCC[NH+]1CCC(N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000536871779 485150556 /nfs/dbraw/zinc/15/05/56/485150556.db2.gz UYYSARBRIWHCRK-KRWDZBQOSA-N 1 3 354.495 -0.380 20 0 FBADHO COCC[NH+]1CCC(N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000536871786 485150092 /nfs/dbraw/zinc/15/00/92/485150092.db2.gz UYYSARBRIWHCRK-QGZVFWFLSA-N 1 3 354.495 -0.380 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000537095375 485246354 /nfs/dbraw/zinc/24/63/54/485246354.db2.gz WFYZJQBLWLPCEM-CABCVRRESA-N 1 3 357.499 -0.243 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000537095376 485245958 /nfs/dbraw/zinc/24/59/58/485245958.db2.gz WFYZJQBLWLPCEM-GJZGRUSLSA-N 1 3 357.499 -0.243 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000537095377 485246334 /nfs/dbraw/zinc/24/63/34/485246334.db2.gz WFYZJQBLWLPCEM-HUUCEWRRSA-N 1 3 357.499 -0.243 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000537095378 485246297 /nfs/dbraw/zinc/24/62/97/485246297.db2.gz WFYZJQBLWLPCEM-LSDHHAIUSA-N 1 3 357.499 -0.243 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000538468935 484542475 /nfs/dbraw/zinc/54/24/75/484542475.db2.gz VPUKGOPRSAEHFF-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000538468935 484542468 /nfs/dbraw/zinc/54/24/68/484542468.db2.gz VPUKGOPRSAEHFF-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000538468936 484542328 /nfs/dbraw/zinc/54/23/28/484542328.db2.gz VPUKGOPRSAEHFF-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(=O)N1CCOCC1 ZINC000538468936 484542320 /nfs/dbraw/zinc/54/23/20/484542320.db2.gz VPUKGOPRSAEHFF-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO COC(=O)C1(O)CCN(CCCC[NH+]2CCC(O)(C(=O)OC)CC2)CC1 ZINC000538785109 484553717 /nfs/dbraw/zinc/55/37/17/484553717.db2.gz AKSOOQAQMSVPEV-UHFFFAOYSA-N 1 3 372.462 -0.234 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(=O)N3CCOCC3)CC2)CC1 ZINC000540656043 484604162 /nfs/dbraw/zinc/60/41/62/484604162.db2.gz LOTJFZNFQWYONY-UHFFFAOYSA-N 1 3 367.494 -0.297 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000540922338 484609445 /nfs/dbraw/zinc/60/94/45/484609445.db2.gz IBKYFMBFGDNFEF-UHFFFAOYSA-N 1 3 373.523 -0.159 20 0 FBADHO CN(C)C1CN(c2nc(N3CC([NH+](C)C)C3)nc(N3CCOCC3)n2)C1 ZINC000541579220 484626871 /nfs/dbraw/zinc/62/68/71/484626871.db2.gz YZKQDHQBOOWGSP-UHFFFAOYSA-N 1 3 362.482 -0.791 20 0 FBADHO CN1CC[C@@](O)(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000545176447 484709032 /nfs/dbraw/zinc/70/90/32/484709032.db2.gz BSNZMEAHLUSSHC-GOSISDBHSA-N 1 3 353.511 -0.089 20 0 FBADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000545176464 484708254 /nfs/dbraw/zinc/70/82/54/484708254.db2.gz BSNZMEAHLUSSHC-SFHVURJKSA-N 1 3 353.511 -0.089 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC1=O ZINC000546588152 484742343 /nfs/dbraw/zinc/74/23/43/484742343.db2.gz IFIWKYURRDPJDD-DAYGRLMNSA-N 1 3 352.479 -0.498 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC1=O ZINC000546588152 484742341 /nfs/dbraw/zinc/74/23/41/484742341.db2.gz IFIWKYURRDPJDD-DAYGRLMNSA-N 1 3 352.479 -0.498 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)CC1=O ZINC000546588153 484743088 /nfs/dbraw/zinc/74/30/88/484743088.db2.gz IFIWKYURRDPJDD-HDMKZQKVSA-N 1 3 352.479 -0.498 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)CC1=O ZINC000546588153 484743079 /nfs/dbraw/zinc/74/30/79/484743079.db2.gz IFIWKYURRDPJDD-HDMKZQKVSA-N 1 3 352.479 -0.498 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(O)CCN(C)C2)CC1=O ZINC000546588154 484743125 /nfs/dbraw/zinc/74/31/25/484743125.db2.gz IFIWKYURRDPJDD-IIDMSEBBSA-N 1 3 352.479 -0.498 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(O)CCN(C)C2)CC1=O ZINC000546588154 484743117 /nfs/dbraw/zinc/74/31/17/484743117.db2.gz IFIWKYURRDPJDD-IIDMSEBBSA-N 1 3 352.479 -0.498 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC1=O ZINC000546588155 484742552 /nfs/dbraw/zinc/74/25/52/484742552.db2.gz IFIWKYURRDPJDD-RKVPGOIHSA-N 1 3 352.479 -0.498 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC1=O ZINC000546588155 484742545 /nfs/dbraw/zinc/74/25/45/484742545.db2.gz IFIWKYURRDPJDD-RKVPGOIHSA-N 1 3 352.479 -0.498 20 0 FBADHO CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000547286793 484757351 /nfs/dbraw/zinc/75/73/51/484757351.db2.gz HHSCCUDKNBDABT-GOSISDBHSA-N 1 3 364.446 -0.252 20 0 FBADHO CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000547286794 484756534 /nfs/dbraw/zinc/75/65/34/484756534.db2.gz HHSCCUDKNBDABT-SFHVURJKSA-N 1 3 364.446 -0.252 20 0 FBADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000547293126 484758893 /nfs/dbraw/zinc/75/88/93/484758893.db2.gz NVLOIWSXVGDEID-GOSISDBHSA-N 1 3 364.446 -0.122 20 0 FBADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000547293126 484758885 /nfs/dbraw/zinc/75/88/85/484758885.db2.gz NVLOIWSXVGDEID-GOSISDBHSA-N 1 3 364.446 -0.122 20 0 FBADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000547293127 484758994 /nfs/dbraw/zinc/75/89/94/484758994.db2.gz NVLOIWSXVGDEID-SFHVURJKSA-N 1 3 364.446 -0.122 20 0 FBADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000547293127 484758990 /nfs/dbraw/zinc/75/89/90/484758990.db2.gz NVLOIWSXVGDEID-SFHVURJKSA-N 1 3 364.446 -0.122 20 0 FBADHO CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000547293290 484759117 /nfs/dbraw/zinc/75/91/17/484759117.db2.gz VGBOGSWMHFVHFY-GOSISDBHSA-N 1 3 364.446 -0.252 20 0 FBADHO CN1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000547293291 484758554 /nfs/dbraw/zinc/75/85/54/484758554.db2.gz VGBOGSWMHFVHFY-SFHVURJKSA-N 1 3 364.446 -0.252 20 0 FBADHO CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC000547450443 484763708 /nfs/dbraw/zinc/76/37/08/484763708.db2.gz FJYPHOHVXFJEBJ-INIZCTEOSA-N 1 3 354.543 -0.053 20 0 FBADHO CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000547450444 484762926 /nfs/dbraw/zinc/76/29/26/484762926.db2.gz FJYPHOHVXFJEBJ-MRXNPFEDSA-N 1 3 354.543 -0.053 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000548113595 484793606 /nfs/dbraw/zinc/79/36/06/484793606.db2.gz HGWHCJJEEVAUBA-UHFFFAOYSA-N 1 3 371.507 -0.103 20 0 FBADHO Cc1nc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)o1 ZINC000548772758 484824891 /nfs/dbraw/zinc/82/48/91/484824891.db2.gz LNVTXURBWUVRJM-UHFFFAOYSA-N 1 3 353.467 -0.098 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000549924588 484852560 /nfs/dbraw/zinc/85/25/60/484852560.db2.gz CRPRNWZAMDMRBL-UHFFFAOYSA-N 1 3 369.510 -0.497 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000549927928 484852831 /nfs/dbraw/zinc/85/28/31/484852831.db2.gz YETFMBSCKWLOIH-UHFFFAOYSA-N 1 3 369.510 -0.543 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000549978767 484854569 /nfs/dbraw/zinc/85/45/69/484854569.db2.gz HMTOVRZGUCQDTM-UHFFFAOYSA-N 1 3 355.527 -0.073 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ncn(C)c1=O ZINC000550008784 484855305 /nfs/dbraw/zinc/85/53/05/484855305.db2.gz HXUGHNANDSAFAJ-HNNXBMFYSA-N 1 3 352.483 -0.154 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ncn(C)c1=O ZINC000550008784 484855302 /nfs/dbraw/zinc/85/53/02/484855302.db2.gz HXUGHNANDSAFAJ-HNNXBMFYSA-N 1 3 352.483 -0.154 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1ncn(C)c1=O ZINC000550008785 484855676 /nfs/dbraw/zinc/85/56/76/484855676.db2.gz HXUGHNANDSAFAJ-OAHLLOKOSA-N 1 3 352.483 -0.154 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1ncn(C)c1=O ZINC000550008785 484855671 /nfs/dbraw/zinc/85/56/71/484855671.db2.gz HXUGHNANDSAFAJ-OAHLLOKOSA-N 1 3 352.483 -0.154 20 0 FBADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000550040627 484855967 /nfs/dbraw/zinc/85/59/67/484855967.db2.gz DGVUUXOELDFOKI-UHFFFAOYSA-N 1 3 353.511 -0.271 20 0 FBADHO COc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000550187647 484863210 /nfs/dbraw/zinc/86/32/10/484863210.db2.gz GTPPUSXIPKGMCJ-UHFFFAOYSA-N 1 3 351.451 -0.342 20 0 FBADHO Cc1cc(C)c(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)[nH]1 ZINC000550195993 484864755 /nfs/dbraw/zinc/86/47/55/484864755.db2.gz DQXDEXJIAYSDRB-UHFFFAOYSA-N 1 3 365.478 -0.028 20 0 FBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000550198162 484864563 /nfs/dbraw/zinc/86/45/63/484864563.db2.gz TYXXWQJZTPZTAI-DLBZAZTESA-N 1 3 357.495 -0.067 20 0 FBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000550198164 484865070 /nfs/dbraw/zinc/86/50/70/484865070.db2.gz TYXXWQJZTPZTAI-IAGOWNOFSA-N 1 3 357.495 -0.067 20 0 FBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000550198165 484864316 /nfs/dbraw/zinc/86/43/16/484864316.db2.gz TYXXWQJZTPZTAI-IRXDYDNUSA-N 1 3 357.495 -0.067 20 0 FBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000550198166 484865083 /nfs/dbraw/zinc/86/50/83/484865083.db2.gz TYXXWQJZTPZTAI-SJORKVTESA-N 1 3 357.495 -0.067 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000550219683 484864505 /nfs/dbraw/zinc/86/45/05/484864505.db2.gz YKLNXNARMXBQOL-UHFFFAOYSA-N 1 3 364.446 -0.017 20 0 FBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000550327573 484870363 /nfs/dbraw/zinc/87/03/63/484870363.db2.gz KFDNJVSLAOAMCC-UHFFFAOYSA-N 1 3 367.494 -0.789 20 0 FBADHO CN1CCC(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000550372485 484874234 /nfs/dbraw/zinc/87/42/34/484874234.db2.gz LPCUWJMDWQNEPI-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000550383400 484875703 /nfs/dbraw/zinc/87/57/03/484875703.db2.gz IUYHGUUWUJKSMX-KRWDZBQOSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000550383400 484875696 /nfs/dbraw/zinc/87/56/96/484875696.db2.gz IUYHGUUWUJKSMX-KRWDZBQOSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000550383401 484874950 /nfs/dbraw/zinc/87/49/50/484874950.db2.gz IUYHGUUWUJKSMX-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000550383401 484874945 /nfs/dbraw/zinc/87/49/45/484874945.db2.gz IUYHGUUWUJKSMX-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000550410260 484875740 /nfs/dbraw/zinc/87/57/40/484875740.db2.gz RCUKMBHINKRMTF-INIZCTEOSA-N 1 3 367.538 -0.023 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000550410261 484876183 /nfs/dbraw/zinc/87/61/83/484876183.db2.gz RCUKMBHINKRMTF-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550479550 659021903 /nfs/dbraw/zinc/02/19/03/659021903.db2.gz MFCQTHRBPKDPHI-HNNXBMFYSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550479551 659021565 /nfs/dbraw/zinc/02/15/65/659021565.db2.gz MFCQTHRBPKDPHI-OAHLLOKOSA-N 1 3 353.511 -0.319 20 0 FBADHO CCN1CCCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550515316 484883232 /nfs/dbraw/zinc/88/32/32/484883232.db2.gz WIADEOPGYJWIOZ-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO Cc1nccn1CCCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000550519109 484882970 /nfs/dbraw/zinc/88/29/70/484882970.db2.gz MBFLCWMTFMQGJT-UHFFFAOYSA-N 1 3 364.494 -0.160 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000550519851 484882654 /nfs/dbraw/zinc/88/26/54/484882654.db2.gz BONGFGVJIOGPGT-INIZCTEOSA-N 1 3 367.538 -0.071 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000550519851 484882650 /nfs/dbraw/zinc/88/26/50/484882650.db2.gz BONGFGVJIOGPGT-INIZCTEOSA-N 1 3 367.538 -0.071 20 0 FBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000550519852 484883375 /nfs/dbraw/zinc/88/33/75/484883375.db2.gz BONGFGVJIOGPGT-MRXNPFEDSA-N 1 3 367.538 -0.071 20 0 FBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000550519852 484883366 /nfs/dbraw/zinc/88/33/66/484883366.db2.gz BONGFGVJIOGPGT-MRXNPFEDSA-N 1 3 367.538 -0.071 20 0 FBADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000550553908 484883949 /nfs/dbraw/zinc/88/39/49/484883949.db2.gz GQFUQWAXHDYFGQ-HNNXBMFYSA-N 1 3 351.495 -0.519 20 0 FBADHO C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000550553913 484885034 /nfs/dbraw/zinc/88/50/34/484885034.db2.gz GQFUQWAXHDYFGQ-OAHLLOKOSA-N 1 3 351.495 -0.519 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cn2ccccc2n1 ZINC000550685395 484891040 /nfs/dbraw/zinc/89/10/40/484891040.db2.gz MSZXKQGTFPBWEB-UHFFFAOYSA-N 1 3 374.489 -0.055 20 0 FBADHO CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CCN(C2CC2)C1 ZINC000550877722 484904934 /nfs/dbraw/zinc/90/49/34/484904934.db2.gz UWSXHVLKGHBTEQ-KRWDZBQOSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000550877723 484904836 /nfs/dbraw/zinc/90/48/36/484904836.db2.gz UWSXHVLKGHBTEQ-QGZVFWFLSA-N 1 3 365.522 -0.176 20 0 FBADHO CC(C)CN1CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550878502 484904563 /nfs/dbraw/zinc/90/45/63/484904563.db2.gz IERGYCVFGCTXBD-UHFFFAOYSA-N 1 3 367.538 -0.071 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000550904239 484908200 /nfs/dbraw/zinc/90/82/00/484908200.db2.gz SKLUMNXLPIGHND-HNNXBMFYSA-N 1 3 365.522 -0.271 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000550904239 484908190 /nfs/dbraw/zinc/90/81/90/484908190.db2.gz SKLUMNXLPIGHND-HNNXBMFYSA-N 1 3 365.522 -0.271 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000550904240 484908036 /nfs/dbraw/zinc/90/80/36/484908036.db2.gz SKLUMNXLPIGHND-OAHLLOKOSA-N 1 3 365.522 -0.271 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000550904240 484908032 /nfs/dbraw/zinc/90/80/32/484908032.db2.gz SKLUMNXLPIGHND-OAHLLOKOSA-N 1 3 365.522 -0.271 20 0 FBADHO CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000550909265 484908332 /nfs/dbraw/zinc/90/83/32/484908332.db2.gz GRTDHZDVMSLKCE-UHFFFAOYSA-N 1 3 365.522 -0.317 20 0 FBADHO C[C@H](CNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1)C[NH+](C)C ZINC000551041513 484117934 /nfs/dbraw/zinc/11/79/34/484117934.db2.gz XHAIUMMFKUAKET-CYBMUJFWSA-N 1 3 350.467 0.402 20 0 FBADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1)C[NH+](C)C ZINC000551041520 484475533 /nfs/dbraw/zinc/47/55/33/484475533.db2.gz XHAIUMMFKUAKET-ZDUSSCGKSA-N 1 3 350.467 0.402 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccnc1N(C)C ZINC000551045395 484914631 /nfs/dbraw/zinc/91/46/31/484914631.db2.gz ODQQFKFOPYVXLD-UHFFFAOYSA-N 1 3 364.494 -0.284 20 0 FBADHO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551067569 484916504 /nfs/dbraw/zinc/91/65/04/484916504.db2.gz YTSAPEVLVLQFRT-UHFFFAOYSA-N 1 3 366.510 -0.353 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000551112559 484918672 /nfs/dbraw/zinc/91/86/72/484918672.db2.gz UZYTXLONGIWJSU-DLBZAZTESA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000551112560 484918396 /nfs/dbraw/zinc/91/83/96/484918396.db2.gz UZYTXLONGIWJSU-IAGOWNOFSA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000551112561 484918128 /nfs/dbraw/zinc/91/81/28/484918128.db2.gz UZYTXLONGIWJSU-IRXDYDNUSA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000551112562 484918597 /nfs/dbraw/zinc/91/85/97/484918597.db2.gz UZYTXLONGIWJSU-SJORKVTESA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551121651 484918553 /nfs/dbraw/zinc/91/85/53/484918553.db2.gz IWVWNUYVNBVEDG-INIZCTEOSA-N 1 3 353.511 -0.460 20 0 FBADHO CCN1CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551121652 484918063 /nfs/dbraw/zinc/91/80/63/484918063.db2.gz IWVWNUYVNBVEDG-MRXNPFEDSA-N 1 3 353.511 -0.460 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCN(C)CC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123073 484920410 /nfs/dbraw/zinc/92/04/10/484920410.db2.gz WTYQHRUQJKCSAE-CVEARBPZSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)CC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123074 484919834 /nfs/dbraw/zinc/91/98/34/484919834.db2.gz WTYQHRUQJKCSAE-HOTGVXAUSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCN(C)CC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123075 484920795 /nfs/dbraw/zinc/92/07/95/484920795.db2.gz WTYQHRUQJKCSAE-HZPDHXFCSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)CC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551123076 484920556 /nfs/dbraw/zinc/92/05/56/484920556.db2.gz WTYQHRUQJKCSAE-JKSUJKDBSA-N 1 3 353.511 -0.461 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000551136901 484919586 /nfs/dbraw/zinc/91/95/86/484919586.db2.gz RDHQPQAMUJRBHQ-CVEARBPZSA-N 1 3 365.522 -0.271 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000551136902 484920525 /nfs/dbraw/zinc/92/05/25/484920525.db2.gz RDHQPQAMUJRBHQ-HOTGVXAUSA-N 1 3 365.522 -0.271 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000551136903 484920162 /nfs/dbraw/zinc/92/01/62/484920162.db2.gz RDHQPQAMUJRBHQ-HZPDHXFCSA-N 1 3 365.522 -0.271 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000551136904 484919958 /nfs/dbraw/zinc/91/99/58/484919958.db2.gz RDHQPQAMUJRBHQ-JKSUJKDBSA-N 1 3 365.522 -0.271 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551139868 484919650 /nfs/dbraw/zinc/91/96/50/484919650.db2.gz JKAGWAQIPWXGPR-DLBZAZTESA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551139868 484919648 /nfs/dbraw/zinc/91/96/48/484919648.db2.gz JKAGWAQIPWXGPR-DLBZAZTESA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551139869 484920737 /nfs/dbraw/zinc/92/07/37/484920737.db2.gz JKAGWAQIPWXGPR-IAGOWNOFSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551139869 484920733 /nfs/dbraw/zinc/92/07/33/484920733.db2.gz JKAGWAQIPWXGPR-IAGOWNOFSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551139870 484920200 /nfs/dbraw/zinc/92/02/00/484920200.db2.gz JKAGWAQIPWXGPR-IRXDYDNUSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551139870 484920194 /nfs/dbraw/zinc/92/01/94/484920194.db2.gz JKAGWAQIPWXGPR-IRXDYDNUSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551139871 484922521 /nfs/dbraw/zinc/92/25/21/484922521.db2.gz JKAGWAQIPWXGPR-SJORKVTESA-N 1 3 365.522 -0.175 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551139871 484922518 /nfs/dbraw/zinc/92/25/18/484922518.db2.gz JKAGWAQIPWXGPR-SJORKVTESA-N 1 3 365.522 -0.175 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000551140036 484921875 /nfs/dbraw/zinc/92/18/75/484921875.db2.gz MBYMHWXFXIKKNY-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551140036 484921869 /nfs/dbraw/zinc/92/18/69/484921869.db2.gz MBYMHWXFXIKKNY-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000551140037 484922357 /nfs/dbraw/zinc/92/23/57/484922357.db2.gz MBYMHWXFXIKKNY-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000551140037 484922351 /nfs/dbraw/zinc/92/23/51/484922351.db2.gz MBYMHWXFXIKKNY-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551140038 484921925 /nfs/dbraw/zinc/92/19/25/484921925.db2.gz MBYMHWXFXIKKNY-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551140038 484921922 /nfs/dbraw/zinc/92/19/22/484921922.db2.gz MBYMHWXFXIKKNY-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000551140039 484921712 /nfs/dbraw/zinc/92/17/12/484921712.db2.gz MBYMHWXFXIKKNY-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000551140039 484921706 /nfs/dbraw/zinc/92/17/06/484921706.db2.gz MBYMHWXFXIKKNY-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(C(N)=O)c1 ZINC000551141244 484921632 /nfs/dbraw/zinc/92/16/32/484921632.db2.gz ANYXEGMZKFGMQO-UHFFFAOYSA-N 1 3 363.462 -0.647 20 0 FBADHO Cc1nn(C)c(C)c1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000551228750 484929062 /nfs/dbraw/zinc/92/90/62/484929062.db2.gz ARXHMRAFTGQKLQ-UHFFFAOYSA-N 1 3 352.483 -0.395 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000551288083 484932207 /nfs/dbraw/zinc/93/22/07/484932207.db2.gz ICGITQHZWLLNNZ-UHFFFAOYSA-N 1 3 367.538 -0.071 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000551470108 484938899 /nfs/dbraw/zinc/93/88/99/484938899.db2.gz JMJAQCVLUVBNLG-KRWDZBQOSA-N 1 3 367.538 -0.022 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000551470111 484939470 /nfs/dbraw/zinc/93/94/70/484939470.db2.gz JMJAQCVLUVBNLG-QGZVFWFLSA-N 1 3 367.538 -0.022 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000551479856 484938768 /nfs/dbraw/zinc/93/87/68/484938768.db2.gz COLOSKCAKCFMHZ-DLBZAZTESA-N 1 3 367.538 -0.166 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000551479856 484938762 /nfs/dbraw/zinc/93/87/62/484938762.db2.gz COLOSKCAKCFMHZ-DLBZAZTESA-N 1 3 367.538 -0.166 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000551479857 484939424 /nfs/dbraw/zinc/93/94/24/484939424.db2.gz COLOSKCAKCFMHZ-IAGOWNOFSA-N 1 3 367.538 -0.166 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000551479857 484939417 /nfs/dbraw/zinc/93/94/17/484939417.db2.gz COLOSKCAKCFMHZ-IAGOWNOFSA-N 1 3 367.538 -0.166 20 0 FBADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000551479858 484939591 /nfs/dbraw/zinc/93/95/91/484939591.db2.gz COLOSKCAKCFMHZ-IRXDYDNUSA-N 1 3 367.538 -0.166 20 0 FBADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000551479858 484939587 /nfs/dbraw/zinc/93/95/87/484939587.db2.gz COLOSKCAKCFMHZ-IRXDYDNUSA-N 1 3 367.538 -0.166 20 0 FBADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000551479859 484938466 /nfs/dbraw/zinc/93/84/66/484938466.db2.gz COLOSKCAKCFMHZ-SJORKVTESA-N 1 3 367.538 -0.166 20 0 FBADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000551479859 484938457 /nfs/dbraw/zinc/93/84/57/484938457.db2.gz COLOSKCAKCFMHZ-SJORKVTESA-N 1 3 367.538 -0.166 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000551479937 484939085 /nfs/dbraw/zinc/93/90/85/484939085.db2.gz FYGQVBVKOFGAOI-INIZCTEOSA-N 1 3 367.538 -0.023 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000551479940 484939266 /nfs/dbraw/zinc/93/92/66/484939266.db2.gz FYGQVBVKOFGAOI-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479941 484939828 /nfs/dbraw/zinc/93/98/28/484939828.db2.gz FZNFHCQMNFCZHO-DOTOQJQBSA-N 1 3 365.522 -0.319 20 0 FBADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479943 484939638 /nfs/dbraw/zinc/93/96/38/484939638.db2.gz FZNFHCQMNFCZHO-NVXWUHKLSA-N 1 3 365.522 -0.319 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479944 484938987 /nfs/dbraw/zinc/93/89/87/484938987.db2.gz FZNFHCQMNFCZHO-RDJZCZTQSA-N 1 3 365.522 -0.319 20 0 FBADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000551479945 484938629 /nfs/dbraw/zinc/93/86/29/484938629.db2.gz FZNFHCQMNFCZHO-WBVHZDCISA-N 1 3 365.522 -0.319 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000551503320 484942412 /nfs/dbraw/zinc/94/24/12/484942412.db2.gz GMWZXAFJUJDICR-BRWVUGGUSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000551503320 484942407 /nfs/dbraw/zinc/94/24/07/484942407.db2.gz GMWZXAFJUJDICR-BRWVUGGUSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000551503321 484943350 /nfs/dbraw/zinc/94/33/50/484943350.db2.gz GMWZXAFJUJDICR-IKGGRYGDSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000551503321 484943347 /nfs/dbraw/zinc/94/33/47/484943347.db2.gz GMWZXAFJUJDICR-IKGGRYGDSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000551503322 484943209 /nfs/dbraw/zinc/94/32/09/484943209.db2.gz GMWZXAFJUJDICR-IXDOHACOSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000551503322 484943204 /nfs/dbraw/zinc/94/32/04/484943204.db2.gz GMWZXAFJUJDICR-IXDOHACOSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000551503323 484942713 /nfs/dbraw/zinc/94/27/13/484942713.db2.gz GMWZXAFJUJDICR-ZACQAIPSSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000551503323 484942709 /nfs/dbraw/zinc/94/27/09/484942709.db2.gz GMWZXAFJUJDICR-ZACQAIPSSA-N 1 3 367.538 -0.025 20 0 FBADHO CC(C)Oc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000551767753 484212537 /nfs/dbraw/zinc/21/25/37/484212537.db2.gz DGXOAGVCBZMZPB-UHFFFAOYSA-N 1 3 366.466 0.154 20 0 FBADHO CNS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000552139839 484973164 /nfs/dbraw/zinc/97/31/64/484973164.db2.gz LGDBPEANVHAWSX-UHFFFAOYSA-N 1 3 363.528 -0.886 20 0 FBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000552175833 484974844 /nfs/dbraw/zinc/97/48/44/484974844.db2.gz NIWUAKXXCJGALM-HNNXBMFYSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000552175833 484974840 /nfs/dbraw/zinc/97/48/40/484974840.db2.gz NIWUAKXXCJGALM-HNNXBMFYSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000552175833 484974836 /nfs/dbraw/zinc/97/48/36/484974836.db2.gz NIWUAKXXCJGALM-HNNXBMFYSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000552175834 484975649 /nfs/dbraw/zinc/97/56/49/484975649.db2.gz NIWUAKXXCJGALM-OAHLLOKOSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000552175834 484975643 /nfs/dbraw/zinc/97/56/43/484975643.db2.gz NIWUAKXXCJGALM-OAHLLOKOSA-N 1 3 365.522 -0.176 20 0 FBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000552175834 484975636 /nfs/dbraw/zinc/97/56/36/484975636.db2.gz NIWUAKXXCJGALM-OAHLLOKOSA-N 1 3 365.522 -0.176 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000552191420 484976953 /nfs/dbraw/zinc/97/69/53/484976953.db2.gz FUVUYQKVXSKTRQ-BBWFWOEESA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000552191421 484977286 /nfs/dbraw/zinc/97/72/86/484977286.db2.gz FUVUYQKVXSKTRQ-BRWVUGGUSA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000552191422 484977322 /nfs/dbraw/zinc/97/73/22/484977322.db2.gz FUVUYQKVXSKTRQ-GVDBMIGSSA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000552191423 484977598 /nfs/dbraw/zinc/97/75/98/484977598.db2.gz FUVUYQKVXSKTRQ-ZACQAIPSSA-N 1 3 367.538 -0.073 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000552192071 484977119 /nfs/dbraw/zinc/97/71/19/484977119.db2.gz CWKBWWJAHWWSET-INIZCTEOSA-N 1 3 367.538 -0.071 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000552192072 484976809 /nfs/dbraw/zinc/97/68/09/484976809.db2.gz CWKBWWJAHWWSET-MRXNPFEDSA-N 1 3 367.538 -0.071 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000552201149 484977560 /nfs/dbraw/zinc/97/75/60/484977560.db2.gz BMLZRSPUYHXQAM-HNNXBMFYSA-N 1 3 367.494 -0.791 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000552201150 484977778 /nfs/dbraw/zinc/97/77/78/484977778.db2.gz BMLZRSPUYHXQAM-OAHLLOKOSA-N 1 3 367.494 -0.791 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000552550480 484994664 /nfs/dbraw/zinc/99/46/64/484994664.db2.gz ZERGKIKOMCARJJ-ILXRZTDVSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000552550480 484994662 /nfs/dbraw/zinc/99/46/62/484994662.db2.gz ZERGKIKOMCARJJ-ILXRZTDVSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000552550481 484994202 /nfs/dbraw/zinc/99/42/02/484994202.db2.gz ZERGKIKOMCARJJ-KFWWJZLASA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000552550481 484994197 /nfs/dbraw/zinc/99/41/97/484994197.db2.gz ZERGKIKOMCARJJ-KFWWJZLASA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000552550482 484994565 /nfs/dbraw/zinc/99/45/65/484994565.db2.gz ZERGKIKOMCARJJ-QLFBSQMISA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCN1C ZINC000552550482 484994561 /nfs/dbraw/zinc/99/45/61/484994561.db2.gz ZERGKIKOMCARJJ-QLFBSQMISA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000552550483 484994775 /nfs/dbraw/zinc/99/47/75/484994775.db2.gz ZERGKIKOMCARJJ-RBSFLKMASA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCN1C ZINC000552550483 484994771 /nfs/dbraw/zinc/99/47/71/484994771.db2.gz ZERGKIKOMCARJJ-RBSFLKMASA-N 1 3 367.494 -0.711 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000552622162 485000211 /nfs/dbraw/zinc/00/02/11/485000211.db2.gz HVJBELXOJVSEFJ-UHFFFAOYSA-N 1 3 355.527 -0.214 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000552630866 484999944 /nfs/dbraw/zinc/99/99/44/484999944.db2.gz KAFPZAQKJYCCSS-UHFFFAOYSA-N 1 3 367.538 -0.070 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC1 ZINC000552746848 485003478 /nfs/dbraw/zinc/00/34/78/485003478.db2.gz ZWWRUVZDFRZEFN-UHFFFAOYSA-N 1 3 354.495 -0.108 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC1 ZINC000552746848 485003474 /nfs/dbraw/zinc/00/34/74/485003474.db2.gz ZWWRUVZDFRZEFN-UHFFFAOYSA-N 1 3 354.495 -0.108 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552895188 485011406 /nfs/dbraw/zinc/01/14/06/485011406.db2.gz FAEGGBJBVDHXIQ-CABCVRRESA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552895188 485011401 /nfs/dbraw/zinc/01/14/01/485011401.db2.gz FAEGGBJBVDHXIQ-CABCVRRESA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552895189 485012331 /nfs/dbraw/zinc/01/23/31/485012331.db2.gz FAEGGBJBVDHXIQ-GJZGRUSLSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552895189 485012328 /nfs/dbraw/zinc/01/23/28/485012328.db2.gz FAEGGBJBVDHXIQ-GJZGRUSLSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552895190 485011316 /nfs/dbraw/zinc/01/13/16/485011316.db2.gz FAEGGBJBVDHXIQ-HUUCEWRRSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552895190 485011309 /nfs/dbraw/zinc/01/13/09/485011309.db2.gz FAEGGBJBVDHXIQ-HUUCEWRRSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552895191 485012225 /nfs/dbraw/zinc/01/22/25/485012225.db2.gz FAEGGBJBVDHXIQ-LSDHHAIUSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552895191 485012218 /nfs/dbraw/zinc/01/22/18/485012218.db2.gz FAEGGBJBVDHXIQ-LSDHHAIUSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901354 485011460 /nfs/dbraw/zinc/01/14/60/485011460.db2.gz LRNSJRGYBYQGIS-HNNXBMFYSA-N 1 3 367.494 -0.756 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552901354 485011453 /nfs/dbraw/zinc/01/14/53/485011453.db2.gz LRNSJRGYBYQGIS-HNNXBMFYSA-N 1 3 367.494 -0.756 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901355 485011973 /nfs/dbraw/zinc/01/19/73/485011973.db2.gz LRNSJRGYBYQGIS-OAHLLOKOSA-N 1 3 367.494 -0.756 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552901355 485011968 /nfs/dbraw/zinc/01/19/68/485011968.db2.gz LRNSJRGYBYQGIS-OAHLLOKOSA-N 1 3 367.494 -0.756 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)N(C)C1CC1 ZINC000553040690 485025048 /nfs/dbraw/zinc/02/50/48/485025048.db2.gz LQHIGPRMROHAFJ-AWEZNQCLSA-N 1 3 354.495 -0.110 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)N(C)C1CC1 ZINC000553040690 485025042 /nfs/dbraw/zinc/02/50/42/485025042.db2.gz LQHIGPRMROHAFJ-AWEZNQCLSA-N 1 3 354.495 -0.110 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)N(C)C1CC1 ZINC000553040691 485024297 /nfs/dbraw/zinc/02/42/97/485024297.db2.gz LQHIGPRMROHAFJ-CQSZACIVSA-N 1 3 354.495 -0.110 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)N(C)C1CC1 ZINC000553040691 485024293 /nfs/dbraw/zinc/02/42/93/485024293.db2.gz LQHIGPRMROHAFJ-CQSZACIVSA-N 1 3 354.495 -0.110 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000553275608 485035647 /nfs/dbraw/zinc/03/56/47/485035647.db2.gz LUIASVAWZBWYSU-IIAWOOMASA-N 1 3 352.479 -0.045 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000553275608 485035642 /nfs/dbraw/zinc/03/56/42/485035642.db2.gz LUIASVAWZBWYSU-IIAWOOMASA-N 1 3 352.479 -0.045 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000553275609 485034944 /nfs/dbraw/zinc/03/49/44/485034944.db2.gz LUIASVAWZBWYSU-IJEWVQPXSA-N 1 3 352.479 -0.045 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000553275609 485034936 /nfs/dbraw/zinc/03/49/36/485034936.db2.gz LUIASVAWZBWYSU-IJEWVQPXSA-N 1 3 352.479 -0.045 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000553275610 485035054 /nfs/dbraw/zinc/03/50/54/485035054.db2.gz LUIASVAWZBWYSU-OFQRWUPVSA-N 1 3 352.479 -0.045 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000553275610 485035047 /nfs/dbraw/zinc/03/50/47/485035047.db2.gz LUIASVAWZBWYSU-OFQRWUPVSA-N 1 3 352.479 -0.045 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000553275611 485035326 /nfs/dbraw/zinc/03/53/26/485035326.db2.gz LUIASVAWZBWYSU-SQWLQELKSA-N 1 3 352.479 -0.045 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000553275611 485035321 /nfs/dbraw/zinc/03/53/21/485035321.db2.gz LUIASVAWZBWYSU-SQWLQELKSA-N 1 3 352.479 -0.045 20 0 FBADHO CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000553312421 485041531 /nfs/dbraw/zinc/04/15/31/485041531.db2.gz GPTQBRTWCWXXCO-GDBMZVCRSA-N 1 3 370.519 -0.146 20 0 FBADHO CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000553312422 485040894 /nfs/dbraw/zinc/04/08/94/485040894.db2.gz GPTQBRTWCWXXCO-GOEBONIOSA-N 1 3 370.519 -0.146 20 0 FBADHO CNS(=O)(=O)c1cccc([C@H](C)NC[C@H](O)CN2CCN(C)CC2)c1 ZINC000553312423 485040637 /nfs/dbraw/zinc/04/06/37/485040637.db2.gz GPTQBRTWCWXXCO-HOCLYGCPSA-N 1 3 370.519 -0.146 20 0 FBADHO CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H](O)CN2CCN(C)CC2)c1 ZINC000553312424 485040395 /nfs/dbraw/zinc/04/03/95/485040395.db2.gz GPTQBRTWCWXXCO-ZBFHGGJFSA-N 1 3 370.519 -0.146 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000553602181 485056309 /nfs/dbraw/zinc/05/63/09/485056309.db2.gz VTABFLCUHDFQFA-UHFFFAOYSA-N 1 3 370.494 -0.558 20 0 FBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000553618258 485057785 /nfs/dbraw/zinc/05/77/85/485057785.db2.gz OYLPSRMTYPDRLS-CVEARBPZSA-N 1 3 371.526 -0.836 20 0 FBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)N1CCOCC1 ZINC000553618259 485058031 /nfs/dbraw/zinc/05/80/31/485058031.db2.gz OYLPSRMTYPDRLS-HOTGVXAUSA-N 1 3 371.526 -0.836 20 0 FBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)N1CCOCC1 ZINC000553618260 485057694 /nfs/dbraw/zinc/05/76/94/485057694.db2.gz OYLPSRMTYPDRLS-HZPDHXFCSA-N 1 3 371.526 -0.836 20 0 FBADHO C[C@H]([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)N1CCOCC1 ZINC000553618261 485056988 /nfs/dbraw/zinc/05/69/88/485056988.db2.gz OYLPSRMTYPDRLS-JKSUJKDBSA-N 1 3 371.526 -0.836 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553685512 485060959 /nfs/dbraw/zinc/06/09/59/485060959.db2.gz WWHJDOMMHOMPHX-GDBMZVCRSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553685512 485060956 /nfs/dbraw/zinc/06/09/56/485060956.db2.gz WWHJDOMMHOMPHX-GDBMZVCRSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553685515 485060405 /nfs/dbraw/zinc/06/04/05/485060405.db2.gz WWHJDOMMHOMPHX-GOEBONIOSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553685515 485060399 /nfs/dbraw/zinc/06/03/99/485060399.db2.gz WWHJDOMMHOMPHX-GOEBONIOSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553685517 485060347 /nfs/dbraw/zinc/06/03/47/485060347.db2.gz WWHJDOMMHOMPHX-HOCLYGCPSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553685517 485060337 /nfs/dbraw/zinc/06/03/37/485060337.db2.gz WWHJDOMMHOMPHX-HOCLYGCPSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553685519 485060890 /nfs/dbraw/zinc/06/08/90/485060890.db2.gz WWHJDOMMHOMPHX-ZBFHGGJFSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553685519 485060885 /nfs/dbraw/zinc/06/08/85/485060885.db2.gz WWHJDOMMHOMPHX-ZBFHGGJFSA-N 1 3 352.479 -0.092 20 0 FBADHO Cc1noc(C)c1CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000553956136 485072921 /nfs/dbraw/zinc/07/29/21/485072921.db2.gz XALHOTHNFNIEOT-UHFFFAOYSA-N 1 3 353.467 -0.098 20 0 FBADHO CC(C)N1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000554191245 485081634 /nfs/dbraw/zinc/08/16/34/485081634.db2.gz FOJHLASBJMVZRU-AWEZNQCLSA-N 1 3 355.483 -0.936 20 0 FBADHO CC(C)N1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000554191246 485081665 /nfs/dbraw/zinc/08/16/65/485081665.db2.gz FOJHLASBJMVZRU-CQSZACIVSA-N 1 3 355.483 -0.936 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000554258682 485083874 /nfs/dbraw/zinc/08/38/74/485083874.db2.gz UGBSMJBJAUMLGH-AWEZNQCLSA-N 1 3 367.494 -0.935 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000554258689 485083927 /nfs/dbraw/zinc/08/39/27/485083927.db2.gz UGBSMJBJAUMLGH-CQSZACIVSA-N 1 3 367.494 -0.935 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000554506325 485094380 /nfs/dbraw/zinc/09/43/80/485094380.db2.gz WKQKSMMLPFBZPC-BBWFWOEESA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](CNC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000554506326 485093868 /nfs/dbraw/zinc/09/38/68/485093868.db2.gz WKQKSMMLPFBZPC-IKGGRYGDSA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](O)CN1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000554506327 485093704 /nfs/dbraw/zinc/09/37/04/485093704.db2.gz WKQKSMMLPFBZPC-ULQDDVLXSA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](CNC(=O)N1CCN(C[C@H](C)O)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000554506328 485094319 /nfs/dbraw/zinc/09/43/19/485094319.db2.gz WKQKSMMLPFBZPC-ZACQAIPSSA-N 1 3 355.527 -0.034 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000554506788 485093835 /nfs/dbraw/zinc/09/38/35/485093835.db2.gz MDISPZDLHQHLFW-CVEARBPZSA-N 1 3 355.527 -0.073 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000554506791 485094162 /nfs/dbraw/zinc/09/41/62/485094162.db2.gz MDISPZDLHQHLFW-HOTGVXAUSA-N 1 3 355.527 -0.073 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000554506792 485094389 /nfs/dbraw/zinc/09/43/89/485094389.db2.gz MDISPZDLHQHLFW-HZPDHXFCSA-N 1 3 355.527 -0.073 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000554506793 485094520 /nfs/dbraw/zinc/09/45/20/485094520.db2.gz MDISPZDLHQHLFW-JKSUJKDBSA-N 1 3 355.527 -0.073 20 0 FBADHO COc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000554541483 485095584 /nfs/dbraw/zinc/09/55/84/485095584.db2.gz QDPHKUISFSSJMN-UHFFFAOYSA-N 1 3 351.451 -0.342 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000554584612 485097039 /nfs/dbraw/zinc/09/70/39/485097039.db2.gz LTRQWFYROPILHV-INIZCTEOSA-N 1 3 367.538 -0.166 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000554584626 485097074 /nfs/dbraw/zinc/09/70/74/485097074.db2.gz LTRQWFYROPILHV-MRXNPFEDSA-N 1 3 367.538 -0.166 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000554912243 485109344 /nfs/dbraw/zinc/10/93/44/485109344.db2.gz DQMVLROCZYUCJP-UHFFFAOYSA-N 1 3 367.538 -0.071 20 0 FBADHO C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C[C@@H](C)O1 ZINC000555576742 485119966 /nfs/dbraw/zinc/11/99/66/485119966.db2.gz AYZJPLMLSKNPAX-JFIYKMOQSA-N 1 3 370.538 -0.154 20 0 FBADHO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C[C@H](C)O1 ZINC000555576743 485121364 /nfs/dbraw/zinc/12/13/64/485121364.db2.gz AYZJPLMLSKNPAX-JZXOWHBKSA-N 1 3 370.538 -0.154 20 0 FBADHO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C[C@@H](C)O1 ZINC000555576744 485121407 /nfs/dbraw/zinc/12/14/07/485121407.db2.gz AYZJPLMLSKNPAX-NUJGCVRESA-N 1 3 370.538 -0.154 20 0 FBADHO C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C(=O)NCCN(C)C)CC2)C[C@H](C)O1 ZINC000555576745 485121504 /nfs/dbraw/zinc/12/15/04/485121504.db2.gz AYZJPLMLSKNPAX-SOLBZPMBSA-N 1 3 370.538 -0.154 20 0 FBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000555638624 485123153 /nfs/dbraw/zinc/12/31/53/485123153.db2.gz DTELBCTZKGIRFH-HNNXBMFYSA-N 1 3 367.494 -0.791 20 0 FBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000555638628 485123707 /nfs/dbraw/zinc/12/37/07/485123707.db2.gz DTELBCTZKGIRFH-OAHLLOKOSA-N 1 3 367.494 -0.791 20 0 FBADHO CCN1CCC(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000555703655 485126415 /nfs/dbraw/zinc/12/64/15/485126415.db2.gz IVSSCKZVOVGJNG-UHFFFAOYSA-N 1 3 354.495 -0.108 20 0 FBADHO CCN1CCC(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000555703655 485126410 /nfs/dbraw/zinc/12/64/10/485126410.db2.gz IVSSCKZVOVGJNG-UHFFFAOYSA-N 1 3 354.495 -0.108 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cn2ccsc2n1 ZINC000555781456 485129850 /nfs/dbraw/zinc/12/98/50/485129850.db2.gz LJKPJDJHDQOFRE-UHFFFAOYSA-N 1 3 366.491 -0.036 20 0 FBADHO CC(C)C[NH+]1CCC(Nc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000555898202 485133432 /nfs/dbraw/zinc/13/34/32/485133432.db2.gz RGSICRIRVRHKKW-UHFFFAOYSA-N 1 3 351.499 -0.106 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000555924856 485134879 /nfs/dbraw/zinc/13/48/79/485134879.db2.gz DTNLXBWMQJJYAY-UHFFFAOYSA-N 1 3 367.498 -0.777 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000555924856 485134875 /nfs/dbraw/zinc/13/48/75/485134875.db2.gz DTNLXBWMQJJYAY-UHFFFAOYSA-N 1 3 367.498 -0.777 20 0 FBADHO COc1ncccc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556003017 485137007 /nfs/dbraw/zinc/13/70/07/485137007.db2.gz SMMGPDCMEMVFCB-UHFFFAOYSA-N 1 3 351.451 -0.342 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000556064516 485138538 /nfs/dbraw/zinc/13/85/38/485138538.db2.gz FDHROMFLOWQPSC-UHFFFAOYSA-N 1 3 367.538 -0.023 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000556064516 485138531 /nfs/dbraw/zinc/13/85/31/485138531.db2.gz FDHROMFLOWQPSC-UHFFFAOYSA-N 1 3 367.538 -0.023 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000556169381 485143374 /nfs/dbraw/zinc/14/33/74/485143374.db2.gz AMWDNMPWCDQAFC-INIZCTEOSA-N 1 3 353.511 -0.317 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000556169382 485143281 /nfs/dbraw/zinc/14/32/81/485143281.db2.gz AMWDNMPWCDQAFC-MRXNPFEDSA-N 1 3 353.511 -0.317 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000556172338 485144817 /nfs/dbraw/zinc/14/48/17/485144817.db2.gz WJEYHFWEIXTYQS-UHFFFAOYSA-N 1 3 367.538 -0.022 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000556348730 483592867 /nfs/dbraw/zinc/59/28/67/483592867.db2.gz SYXRUFJSZOXMBW-KRWDZBQOSA-N 1 3 367.538 -0.070 20 0 FBADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000556348731 483592742 /nfs/dbraw/zinc/59/27/42/483592742.db2.gz SYXRUFJSZOXMBW-QGZVFWFLSA-N 1 3 367.538 -0.070 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000556353102 483593897 /nfs/dbraw/zinc/59/38/97/483593897.db2.gz JORMNQBZDDWONO-CVEARBPZSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000556353103 483594388 /nfs/dbraw/zinc/59/43/88/483594388.db2.gz JORMNQBZDDWONO-HOTGVXAUSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000556353104 483594330 /nfs/dbraw/zinc/59/43/30/483594330.db2.gz JORMNQBZDDWONO-HZPDHXFCSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000556353105 483594500 /nfs/dbraw/zinc/59/45/00/483594500.db2.gz JORMNQBZDDWONO-JKSUJKDBSA-N 1 3 353.511 -0.461 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000556356622 483595317 /nfs/dbraw/zinc/59/53/17/483595317.db2.gz MWBIPNVSDGNUJP-CABCVRRESA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000556356622 483595313 /nfs/dbraw/zinc/59/53/13/483595313.db2.gz MWBIPNVSDGNUJP-CABCVRRESA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000556356623 483595774 /nfs/dbraw/zinc/59/57/74/483595774.db2.gz MWBIPNVSDGNUJP-GJZGRUSLSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000556356623 483595767 /nfs/dbraw/zinc/59/57/67/483595767.db2.gz MWBIPNVSDGNUJP-GJZGRUSLSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000556356624 483595622 /nfs/dbraw/zinc/59/56/22/483595622.db2.gz MWBIPNVSDGNUJP-HUUCEWRRSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000556356624 483595616 /nfs/dbraw/zinc/59/56/16/483595616.db2.gz MWBIPNVSDGNUJP-HUUCEWRRSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000556356625 483594989 /nfs/dbraw/zinc/59/49/89/483594989.db2.gz MWBIPNVSDGNUJP-LSDHHAIUSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000556356625 483594985 /nfs/dbraw/zinc/59/49/85/483594985.db2.gz MWBIPNVSDGNUJP-LSDHHAIUSA-N 1 3 353.511 -0.415 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000556368569 483596974 /nfs/dbraw/zinc/59/69/74/483596974.db2.gz DTDSYBTYPQDLHJ-CVEARBPZSA-N 1 3 355.527 -0.167 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000556368570 483596606 /nfs/dbraw/zinc/59/66/06/483596606.db2.gz DTDSYBTYPQDLHJ-HOTGVXAUSA-N 1 3 355.527 -0.167 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000556368571 483596585 /nfs/dbraw/zinc/59/65/85/483596585.db2.gz DTDSYBTYPQDLHJ-HZPDHXFCSA-N 1 3 355.527 -0.167 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000556368572 483597245 /nfs/dbraw/zinc/59/72/45/483597245.db2.gz DTDSYBTYPQDLHJ-JKSUJKDBSA-N 1 3 355.527 -0.167 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000556369249 483596242 /nfs/dbraw/zinc/59/62/42/483596242.db2.gz RMHAVPKFCWZUTC-INIZCTEOSA-N 1 3 367.538 -0.023 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000556369252 483597222 /nfs/dbraw/zinc/59/72/22/483597222.db2.gz RMHAVPKFCWZUTC-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000556371073 483601292 /nfs/dbraw/zinc/60/12/92/483601292.db2.gz PSHMRMPBYFPHMN-KRWDZBQOSA-N 1 3 367.538 -0.070 20 0 FBADHO C[C@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000556371074 483600718 /nfs/dbraw/zinc/60/07/18/483600718.db2.gz PSHMRMPBYFPHMN-QGZVFWFLSA-N 1 3 367.538 -0.070 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000556371190 483600910 /nfs/dbraw/zinc/60/09/10/483600910.db2.gz SFYYMTDKACMADH-BRWVUGGUSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000556371192 483601879 /nfs/dbraw/zinc/60/18/79/483601879.db2.gz SFYYMTDKACMADH-IKGGRYGDSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000556371193 483601158 /nfs/dbraw/zinc/60/11/58/483601158.db2.gz SFYYMTDKACMADH-IXDOHACOSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000556371195 483601225 /nfs/dbraw/zinc/60/12/25/483601225.db2.gz SFYYMTDKACMADH-ZACQAIPSSA-N 1 3 367.538 -0.025 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000556371751 483601318 /nfs/dbraw/zinc/60/13/18/483601318.db2.gz SOVKSORTZIGHQD-DLBZAZTESA-N 1 3 367.538 -0.071 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000556371753 483601718 /nfs/dbraw/zinc/60/17/18/483601718.db2.gz SOVKSORTZIGHQD-IAGOWNOFSA-N 1 3 367.538 -0.071 20 0 FBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000556371754 483601119 /nfs/dbraw/zinc/60/11/19/483601119.db2.gz SOVKSORTZIGHQD-IRXDYDNUSA-N 1 3 367.538 -0.071 20 0 FBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000556371755 483601683 /nfs/dbraw/zinc/60/16/83/483601683.db2.gz SOVKSORTZIGHQD-SJORKVTESA-N 1 3 367.538 -0.071 20 0 FBADHO CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000556690015 483653043 /nfs/dbraw/zinc/65/30/43/483653043.db2.gz MJGDXZHGWUPFLK-HNNXBMFYSA-N 1 3 362.540 0.000 20 0 FBADHO CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000556690016 483652386 /nfs/dbraw/zinc/65/23/86/483652386.db2.gz MJGDXZHGWUPFLK-OAHLLOKOSA-N 1 3 362.540 0.000 20 0 FBADHO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000556795354 483659000 /nfs/dbraw/zinc/65/90/00/483659000.db2.gz GGZDVSRTXQDUQG-HNNXBMFYSA-N 1 3 370.494 -0.260 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C2CC2)O1 ZINC000556795425 483658512 /nfs/dbraw/zinc/65/85/12/483658512.db2.gz YCJMELWCDKLJML-GDBMZVCRSA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C2CC2)O1 ZINC000556795427 483659118 /nfs/dbraw/zinc/65/91/18/483659118.db2.gz YCJMELWCDKLJML-GOEBONIOSA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C2CC2)O1 ZINC000556795428 483658524 /nfs/dbraw/zinc/65/85/24/483658524.db2.gz YCJMELWCDKLJML-HOCLYGCPSA-N 1 3 354.495 -0.036 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C2CC2)O1 ZINC000556795429 483659265 /nfs/dbraw/zinc/65/92/65/483659265.db2.gz YCJMELWCDKLJML-ZBFHGGJFSA-N 1 3 354.495 -0.036 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000556795986 483659182 /nfs/dbraw/zinc/65/91/82/483659182.db2.gz HDQDTVFGDSGDPP-INIZCTEOSA-N 1 3 355.527 -0.262 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000556795986 483659179 /nfs/dbraw/zinc/65/91/79/483659179.db2.gz HDQDTVFGDSGDPP-INIZCTEOSA-N 1 3 355.527 -0.262 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000556795987 483659352 /nfs/dbraw/zinc/65/93/52/483659352.db2.gz HDQDTVFGDSGDPP-MRXNPFEDSA-N 1 3 355.527 -0.262 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000556795987 483659350 /nfs/dbraw/zinc/65/93/50/483659350.db2.gz HDQDTVFGDSGDPP-MRXNPFEDSA-N 1 3 355.527 -0.262 20 0 FBADHO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556987333 483665662 /nfs/dbraw/zinc/66/56/62/483665662.db2.gz XOBBHQNDAADQOB-AWEZNQCLSA-N 1 3 355.483 -0.935 20 0 FBADHO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556987337 483665424 /nfs/dbraw/zinc/66/54/24/483665424.db2.gz XOBBHQNDAADQOB-CQSZACIVSA-N 1 3 355.483 -0.935 20 0 FBADHO CNC(=O)C1CCC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000556996983 483665991 /nfs/dbraw/zinc/66/59/91/483665991.db2.gz NOCPWTDDXCLFLB-UHFFFAOYSA-N 1 3 369.510 -0.641 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1(C)C ZINC000557090008 483668079 /nfs/dbraw/zinc/66/80/79/483668079.db2.gz LXVMTGKVSZWIQT-UHFFFAOYSA-N 1 3 367.538 -0.023 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000557140081 483669842 /nfs/dbraw/zinc/66/98/42/483669842.db2.gz ZYOFXVTWZLTDJU-CABCVRRESA-N 1 3 354.499 -0.787 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000557140087 483669739 /nfs/dbraw/zinc/66/97/39/483669739.db2.gz ZYOFXVTWZLTDJU-GJZGRUSLSA-N 1 3 354.499 -0.787 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000557140088 483669814 /nfs/dbraw/zinc/66/98/14/483669814.db2.gz ZYOFXVTWZLTDJU-HUUCEWRRSA-N 1 3 354.499 -0.787 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000557140090 483670121 /nfs/dbraw/zinc/67/01/21/483670121.db2.gz ZYOFXVTWZLTDJU-LSDHHAIUSA-N 1 3 354.499 -0.787 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nccn1C(F)F ZINC000557200721 483671071 /nfs/dbraw/zinc/67/10/71/483671071.db2.gz ZVLCZLXMFFFMKO-UHFFFAOYSA-N 1 3 360.409 -0.154 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000557245660 483673851 /nfs/dbraw/zinc/67/38/51/483673851.db2.gz XIAJBKUWTFCJFM-UXLLHSPISA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557245660 483673849 /nfs/dbraw/zinc/67/38/49/483673849.db2.gz XIAJBKUWTFCJFM-UXLLHSPISA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000557245668 483674047 /nfs/dbraw/zinc/67/40/47/483674047.db2.gz XIAJBKUWTFCJFM-YQQAZPJKSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557245668 483674045 /nfs/dbraw/zinc/67/40/45/483674045.db2.gz XIAJBKUWTFCJFM-YQQAZPJKSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000557245670 483674000 /nfs/dbraw/zinc/67/40/00/483674000.db2.gz XIAJBKUWTFCJFM-ZMSDIMECSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557245670 483673997 /nfs/dbraw/zinc/67/39/97/483673997.db2.gz XIAJBKUWTFCJFM-ZMSDIMECSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000557245672 483673418 /nfs/dbraw/zinc/67/34/18/483673418.db2.gz XIAJBKUWTFCJFM-ZOBUZTSGSA-N 1 3 365.522 -0.143 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000557245672 483673415 /nfs/dbraw/zinc/67/34/15/483673415.db2.gz XIAJBKUWTFCJFM-ZOBUZTSGSA-N 1 3 365.522 -0.143 20 0 FBADHO CCN1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557257604 483673560 /nfs/dbraw/zinc/67/35/60/483673560.db2.gz HAKVEMCMRVQBGY-AWEZNQCLSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557257604 483673556 /nfs/dbraw/zinc/67/35/56/483673556.db2.gz HAKVEMCMRVQBGY-AWEZNQCLSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557257605 483673984 /nfs/dbraw/zinc/67/39/84/483673984.db2.gz HAKVEMCMRVQBGY-CQSZACIVSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557257605 483673983 /nfs/dbraw/zinc/67/39/83/483673983.db2.gz HAKVEMCMRVQBGY-CQSZACIVSA-N 1 3 367.494 -0.710 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N(C)C1CC1 ZINC000557263557 483674873 /nfs/dbraw/zinc/67/48/73/483674873.db2.gz SUIMJDJMNHOSRF-KBPBESRZSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N(C)C1CC1 ZINC000557263557 483674870 /nfs/dbraw/zinc/67/48/70/483674870.db2.gz SUIMJDJMNHOSRF-KBPBESRZSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N(C)C1CC1 ZINC000557263561 483674550 /nfs/dbraw/zinc/67/45/50/483674550.db2.gz SUIMJDJMNHOSRF-KGLIPLIRSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N(C)C1CC1 ZINC000557263561 483674548 /nfs/dbraw/zinc/67/45/48/483674548.db2.gz SUIMJDJMNHOSRF-KGLIPLIRSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(C)C1CC1 ZINC000557263562 483674887 /nfs/dbraw/zinc/67/48/87/483674887.db2.gz SUIMJDJMNHOSRF-UONOGXRCSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(C)C1CC1 ZINC000557263562 483674885 /nfs/dbraw/zinc/67/48/85/483674885.db2.gz SUIMJDJMNHOSRF-UONOGXRCSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(C)C1CC1 ZINC000557263565 483674761 /nfs/dbraw/zinc/67/47/61/483674761.db2.gz SUIMJDJMNHOSRF-ZIAGYGMSSA-N 1 3 367.494 -0.711 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(C)C1CC1 ZINC000557263565 483674759 /nfs/dbraw/zinc/67/47/59/483674759.db2.gz SUIMJDJMNHOSRF-ZIAGYGMSSA-N 1 3 367.494 -0.711 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000557268901 483674442 /nfs/dbraw/zinc/67/44/42/483674442.db2.gz SGGRFPBUOAKKBL-HNNXBMFYSA-N 1 3 369.510 -0.511 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000557268901 483674440 /nfs/dbraw/zinc/67/44/40/483674440.db2.gz SGGRFPBUOAKKBL-HNNXBMFYSA-N 1 3 369.510 -0.511 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000557268902 483674530 /nfs/dbraw/zinc/67/45/30/483674530.db2.gz SGGRFPBUOAKKBL-OAHLLOKOSA-N 1 3 369.510 -0.511 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000557268902 483674528 /nfs/dbraw/zinc/67/45/28/483674528.db2.gz SGGRFPBUOAKKBL-OAHLLOKOSA-N 1 3 369.510 -0.511 20 0 FBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000557310478 483677526 /nfs/dbraw/zinc/67/75/26/483677526.db2.gz MHRREPTVRLCONU-UHFFFAOYSA-N 1 3 353.511 -0.269 20 0 FBADHO CC[N@@H+](CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C1CC1 ZINC000557380025 483679074 /nfs/dbraw/zinc/67/90/74/483679074.db2.gz QVWQAJJBLGHHMA-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO CC[N@H+](CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C1CC1 ZINC000557380025 483679071 /nfs/dbraw/zinc/67/90/71/483679071.db2.gz QVWQAJJBLGHHMA-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000557381070 483678547 /nfs/dbraw/zinc/67/85/47/483678547.db2.gz NWPZTBIEGFXTFZ-HNNXBMFYSA-N 1 3 355.527 -0.025 20 0 FBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000557381070 483678545 /nfs/dbraw/zinc/67/85/45/483678545.db2.gz NWPZTBIEGFXTFZ-HNNXBMFYSA-N 1 3 355.527 -0.025 20 0 FBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000557381075 483678521 /nfs/dbraw/zinc/67/85/21/483678521.db2.gz NWPZTBIEGFXTFZ-OAHLLOKOSA-N 1 3 355.527 -0.025 20 0 FBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000557381075 483678518 /nfs/dbraw/zinc/67/85/18/483678518.db2.gz NWPZTBIEGFXTFZ-OAHLLOKOSA-N 1 3 355.527 -0.025 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NCC2(C[NH+](C)C)CCCC2)n1 ZINC000557425189 483680521 /nfs/dbraw/zinc/68/05/21/483680521.db2.gz BXXTWECKXZPRDC-UHFFFAOYSA-N 1 3 351.499 -0.104 20 0 FBADHO CCC[NH+]1CCC(CNc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000557547422 483684275 /nfs/dbraw/zinc/68/42/75/483684275.db2.gz ODDGIUSYWVMEAB-UHFFFAOYSA-N 1 3 351.499 -0.104 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000557561350 483685428 /nfs/dbraw/zinc/68/54/28/483685428.db2.gz IXUZOIMCYMMVSZ-HNNXBMFYSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000557561350 483685426 /nfs/dbraw/zinc/68/54/26/483685426.db2.gz IXUZOIMCYMMVSZ-HNNXBMFYSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000557561351 483685362 /nfs/dbraw/zinc/68/53/62/483685362.db2.gz IXUZOIMCYMMVSZ-OAHLLOKOSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000557561351 483685359 /nfs/dbraw/zinc/68/53/59/483685359.db2.gz IXUZOIMCYMMVSZ-OAHLLOKOSA-N 1 3 353.511 -0.319 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000557567311 483685446 /nfs/dbraw/zinc/68/54/46/483685446.db2.gz UPPTVEWOOQDRGV-UHFFFAOYSA-N 1 3 367.498 -0.513 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCN3C(=O)CCC3=O)CC2)CC1 ZINC000557781399 483691562 /nfs/dbraw/zinc/69/15/62/483691562.db2.gz ZQRGWHYVTHCFOQ-UHFFFAOYSA-N 1 3 365.478 -0.007 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nnc2ccccn21 ZINC000559292593 483769549 /nfs/dbraw/zinc/76/95/49/483769549.db2.gz FUBXSNVALUVDKL-UHFFFAOYSA-N 1 3 361.450 -0.703 20 0 FBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000559365265 483801160 /nfs/dbraw/zinc/80/11/60/483801160.db2.gz WPLYJEAKAAXBDA-DLBZAZTESA-N 1 3 367.538 -0.071 20 0 FBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000559365271 483800794 /nfs/dbraw/zinc/80/07/94/483800794.db2.gz WPLYJEAKAAXBDA-IAGOWNOFSA-N 1 3 367.538 -0.071 20 0 FBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000559365274 483800775 /nfs/dbraw/zinc/80/07/75/483800775.db2.gz WPLYJEAKAAXBDA-IRXDYDNUSA-N 1 3 367.538 -0.071 20 0 FBADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000559365279 483800864 /nfs/dbraw/zinc/80/08/64/483800864.db2.gz WPLYJEAKAAXBDA-SJORKVTESA-N 1 3 367.538 -0.071 20 0 FBADHO CN1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000559389575 483829809 /nfs/dbraw/zinc/82/98/09/483829809.db2.gz XWDWCDHSEVBXIL-KRWDZBQOSA-N 1 3 365.522 -0.175 20 0 FBADHO CN1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000559389575 483829808 /nfs/dbraw/zinc/82/98/08/483829808.db2.gz XWDWCDHSEVBXIL-KRWDZBQOSA-N 1 3 365.522 -0.175 20 0 FBADHO CN1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000559389576 483829825 /nfs/dbraw/zinc/82/98/25/483829825.db2.gz XWDWCDHSEVBXIL-QGZVFWFLSA-N 1 3 365.522 -0.175 20 0 FBADHO CN1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000559389576 483829824 /nfs/dbraw/zinc/82/98/24/483829824.db2.gz XWDWCDHSEVBXIL-QGZVFWFLSA-N 1 3 365.522 -0.175 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000559398742 483841064 /nfs/dbraw/zinc/84/10/64/483841064.db2.gz XOJHKAFLBMFZMB-UHFFFAOYSA-N 1 3 355.527 -0.071 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cn2ccccc2n1 ZINC000559429807 483841829 /nfs/dbraw/zinc/84/18/29/483841829.db2.gz KXDLPPCIZDMEPL-UHFFFAOYSA-N 1 3 360.462 -0.098 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000559460911 483843402 /nfs/dbraw/zinc/84/34/02/483843402.db2.gz OSAFMAHRUCCLQG-UHFFFAOYSA-N 1 3 355.527 -0.071 20 0 FBADHO O=C1C[C@]2(CCN(CCOCC[N@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000559547789 483846985 /nfs/dbraw/zinc/84/69/85/483846985.db2.gz BDOBPFMYVXFMPK-HDICACEKSA-N 1 3 350.463 -0.573 20 0 FBADHO O=C1C[C@]2(CCN(CCOCC[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000559547789 483846983 /nfs/dbraw/zinc/84/69/83/483846983.db2.gz BDOBPFMYVXFMPK-HDICACEKSA-N 1 3 350.463 -0.573 20 0 FBADHO O=C1C[C@]2(CCN(CCOCC[N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000559547790 483847042 /nfs/dbraw/zinc/84/70/42/483847042.db2.gz BDOBPFMYVXFMPK-QZTJIDSGSA-N 1 3 350.463 -0.573 20 0 FBADHO O=C1C[C@]2(CCN(CCOCC[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000559547790 483847040 /nfs/dbraw/zinc/84/70/40/483847040.db2.gz BDOBPFMYVXFMPK-QZTJIDSGSA-N 1 3 350.463 -0.573 20 0 FBADHO O=C1C[C@@]2(CCN(CCOCC[N@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000559547791 483846961 /nfs/dbraw/zinc/84/69/61/483846961.db2.gz BDOBPFMYVXFMPK-ROUUACIJSA-N 1 3 350.463 -0.573 20 0 FBADHO O=C1C[C@@]2(CCN(CCOCC[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000559547791 483846958 /nfs/dbraw/zinc/84/69/58/483846958.db2.gz BDOBPFMYVXFMPK-ROUUACIJSA-N 1 3 350.463 -0.573 20 0 FBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nnc2n1CCC2 ZINC000559557105 483847516 /nfs/dbraw/zinc/84/75/16/483847516.db2.gz SIJSLWRCEUWMNH-CYBMUJFWSA-N 1 3 365.482 -0.647 20 0 FBADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1nnc2n1CCC2 ZINC000559557111 483847229 /nfs/dbraw/zinc/84/72/29/483847229.db2.gz SIJSLWRCEUWMNH-ZDUSSCGKSA-N 1 3 365.482 -0.647 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000559590686 483848541 /nfs/dbraw/zinc/84/85/41/483848541.db2.gz SOAWPTAOIGWPDP-UHFFFAOYSA-N 1 3 365.522 -0.128 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)N1CCN(C)CC1 ZINC000559612515 483849395 /nfs/dbraw/zinc/84/93/95/483849395.db2.gz HKORVAJYNITPLZ-KRWDZBQOSA-N 1 3 367.538 -0.071 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)N1CCN(C)CC1 ZINC000559612521 483849435 /nfs/dbraw/zinc/84/94/35/483849435.db2.gz HKORVAJYNITPLZ-QGZVFWFLSA-N 1 3 367.538 -0.071 20 0 FBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681402 483851542 /nfs/dbraw/zinc/85/15/42/483851542.db2.gz LMCHQFACMOSHPY-PBHICJAKSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681409 483851677 /nfs/dbraw/zinc/85/16/77/483851677.db2.gz LMCHQFACMOSHPY-RHSMWYFYSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681412 483851554 /nfs/dbraw/zinc/85/15/54/483851554.db2.gz LMCHQFACMOSHPY-WMLDXEAASA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559681415 483851582 /nfs/dbraw/zinc/85/15/82/483851582.db2.gz LMCHQFACMOSHPY-YOEHRIQHSA-N 1 3 365.522 -0.273 20 0 FBADHO CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CCN1C ZINC000559701339 483851500 /nfs/dbraw/zinc/85/15/00/483851500.db2.gz WDFISHIMIZMGOP-KRWDZBQOSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CCN1C ZINC000559701340 483851793 /nfs/dbraw/zinc/85/17/93/483851793.db2.gz WDFISHIMIZMGOP-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CC1=CCN(CCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000559704687 483851926 /nfs/dbraw/zinc/85/19/26/483851926.db2.gz XSYMNMGVPUXIDM-UHFFFAOYSA-N 1 3 365.522 -0.103 20 0 FBADHO CC1=CCN(CCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000559704687 483851925 /nfs/dbraw/zinc/85/19/25/483851925.db2.gz XSYMNMGVPUXIDM-UHFFFAOYSA-N 1 3 365.522 -0.103 20 0 FBADHO COc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1O ZINC000559725979 483852795 /nfs/dbraw/zinc/85/27/95/483852795.db2.gz LVEGVSFWOPKNHA-UHFFFAOYSA-N 1 3 366.462 -0.031 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000559763807 483854026 /nfs/dbraw/zinc/85/40/26/483854026.db2.gz LMHWLODSYPSNLW-UHFFFAOYSA-N 1 3 364.494 -0.284 20 0 FBADHO CCN1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000559834584 483855877 /nfs/dbraw/zinc/85/58/77/483855877.db2.gz HBCQLSUJNKJCNW-UHFFFAOYSA-N 1 3 353.511 -0.316 20 0 FBADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000559837796 483855735 /nfs/dbraw/zinc/85/57/35/483855735.db2.gz RPLPCEWIMPTRKU-KRWDZBQOSA-N 1 3 367.538 -0.022 20 0 FBADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000559837796 483855733 /nfs/dbraw/zinc/85/57/33/483855733.db2.gz RPLPCEWIMPTRKU-KRWDZBQOSA-N 1 3 367.538 -0.022 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000559837799 483856036 /nfs/dbraw/zinc/85/60/36/483856036.db2.gz RPLPCEWIMPTRKU-QGZVFWFLSA-N 1 3 367.538 -0.022 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000559837799 483856034 /nfs/dbraw/zinc/85/60/34/483856034.db2.gz RPLPCEWIMPTRKU-QGZVFWFLSA-N 1 3 367.538 -0.022 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000559901191 483858593 /nfs/dbraw/zinc/85/85/93/483858593.db2.gz CIDJJVKJIWQNSM-HNNXBMFYSA-N 1 3 353.511 -0.461 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000559901191 483858591 /nfs/dbraw/zinc/85/85/91/483858591.db2.gz CIDJJVKJIWQNSM-HNNXBMFYSA-N 1 3 353.511 -0.461 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000559901192 483858390 /nfs/dbraw/zinc/85/83/90/483858390.db2.gz CIDJJVKJIWQNSM-OAHLLOKOSA-N 1 3 353.511 -0.461 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559901192 483858389 /nfs/dbraw/zinc/85/83/89/483858389.db2.gz CIDJJVKJIWQNSM-OAHLLOKOSA-N 1 3 353.511 -0.461 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000560008572 483861195 /nfs/dbraw/zinc/86/11/95/483861195.db2.gz TZKFETKKYBPJLD-INIZCTEOSA-N 1 3 367.538 -0.025 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000560008573 483861363 /nfs/dbraw/zinc/86/13/63/483861363.db2.gz TZKFETKKYBPJLD-MRXNPFEDSA-N 1 3 367.538 -0.025 20 0 FBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C1CC1 ZINC000560012646 483861601 /nfs/dbraw/zinc/86/16/01/483861601.db2.gz FFDRYXJRPLRARX-HNNXBMFYSA-N 1 3 353.511 -0.413 20 0 FBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C1CC1 ZINC000560012646 483861598 /nfs/dbraw/zinc/86/15/98/483861598.db2.gz FFDRYXJRPLRARX-HNNXBMFYSA-N 1 3 353.511 -0.413 20 0 FBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C1CC1 ZINC000560012655 483861766 /nfs/dbraw/zinc/86/17/66/483861766.db2.gz FFDRYXJRPLRARX-OAHLLOKOSA-N 1 3 353.511 -0.413 20 0 FBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C1CC1 ZINC000560012655 483861765 /nfs/dbraw/zinc/86/17/65/483861765.db2.gz FFDRYXJRPLRARX-OAHLLOKOSA-N 1 3 353.511 -0.413 20 0 FBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)C ZINC000560013927 483861735 /nfs/dbraw/zinc/86/17/35/483861735.db2.gz PHKFQKTUQYNODK-INIZCTEOSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)C ZINC000560013927 483861733 /nfs/dbraw/zinc/86/17/33/483861733.db2.gz PHKFQKTUQYNODK-INIZCTEOSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C(C)C ZINC000560013932 483861775 /nfs/dbraw/zinc/86/17/75/483861775.db2.gz PHKFQKTUQYNODK-MRXNPFEDSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C(C)C ZINC000560013932 483861774 /nfs/dbraw/zinc/86/17/74/483861774.db2.gz PHKFQKTUQYNODK-MRXNPFEDSA-N 1 3 355.527 -0.167 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000560014118 483861644 /nfs/dbraw/zinc/86/16/44/483861644.db2.gz QMWVEYXFJRESGW-KRWDZBQOSA-N 1 3 367.538 -0.022 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000560014119 483861906 /nfs/dbraw/zinc/86/19/06/483861906.db2.gz QMWVEYXFJRESGW-QGZVFWFLSA-N 1 3 367.538 -0.022 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014257 483861891 /nfs/dbraw/zinc/86/18/91/483861891.db2.gz VZUXPCYVKAJYOI-CABCVRRESA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014258 483861861 /nfs/dbraw/zinc/86/18/61/483861861.db2.gz VZUXPCYVKAJYOI-GJZGRUSLSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014259 483861814 /nfs/dbraw/zinc/86/18/14/483861814.db2.gz VZUXPCYVKAJYOI-HUUCEWRRSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000560014260 483861876 /nfs/dbraw/zinc/86/18/76/483861876.db2.gz VZUXPCYVKAJYOI-LSDHHAIUSA-N 1 3 351.495 -0.661 20 0 FBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000560014835 483861650 /nfs/dbraw/zinc/86/16/50/483861650.db2.gz FSSXLIXGTFEYKD-INIZCTEOSA-N 1 3 355.527 -0.214 20 0 FBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000560014836 483861755 /nfs/dbraw/zinc/86/17/55/483861755.db2.gz FSSXLIXGTFEYKD-MRXNPFEDSA-N 1 3 355.527 -0.214 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000560015104 483861881 /nfs/dbraw/zinc/86/18/81/483861881.db2.gz BPVKGKCTFDJFHQ-INIZCTEOSA-N 1 3 367.538 -0.166 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000560015105 483862009 /nfs/dbraw/zinc/86/20/09/483862009.db2.gz BPVKGKCTFDJFHQ-MRXNPFEDSA-N 1 3 367.538 -0.166 20 0 FBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000560017780 483863119 /nfs/dbraw/zinc/86/31/19/483863119.db2.gz YQVRHMJGAKHWLA-CVEARBPZSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000560017780 483863118 /nfs/dbraw/zinc/86/31/18/483863118.db2.gz YQVRHMJGAKHWLA-CVEARBPZSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000560017781 483863263 /nfs/dbraw/zinc/86/32/63/483863263.db2.gz YQVRHMJGAKHWLA-HOTGVXAUSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000560017781 483863260 /nfs/dbraw/zinc/86/32/60/483863260.db2.gz YQVRHMJGAKHWLA-HOTGVXAUSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000560017782 483862883 /nfs/dbraw/zinc/86/28/83/483862883.db2.gz YQVRHMJGAKHWLA-HZPDHXFCSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000560017782 483862881 /nfs/dbraw/zinc/86/28/81/483862881.db2.gz YQVRHMJGAKHWLA-HZPDHXFCSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000560017783 483863042 /nfs/dbraw/zinc/86/30/42/483863042.db2.gz YQVRHMJGAKHWLA-JKSUJKDBSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000560017783 483863039 /nfs/dbraw/zinc/86/30/39/483863039.db2.gz YQVRHMJGAKHWLA-JKSUJKDBSA-N 1 3 355.527 -0.167 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000560022311 483862644 /nfs/dbraw/zinc/86/26/44/483862644.db2.gz WYICWYFNSMJSKO-CVEARBPZSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000560022311 483862643 /nfs/dbraw/zinc/86/26/43/483862643.db2.gz WYICWYFNSMJSKO-CVEARBPZSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000560022312 483862258 /nfs/dbraw/zinc/86/22/58/483862258.db2.gz WYICWYFNSMJSKO-HOTGVXAUSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000560022312 483862255 /nfs/dbraw/zinc/86/22/55/483862255.db2.gz WYICWYFNSMJSKO-HOTGVXAUSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000560022314 483862305 /nfs/dbraw/zinc/86/23/05/483862305.db2.gz WYICWYFNSMJSKO-HZPDHXFCSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000560022314 483862303 /nfs/dbraw/zinc/86/23/03/483862303.db2.gz WYICWYFNSMJSKO-HZPDHXFCSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000560022316 483862527 /nfs/dbraw/zinc/86/25/27/483862527.db2.gz WYICWYFNSMJSKO-JKSUJKDBSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000560022316 483862526 /nfs/dbraw/zinc/86/25/26/483862526.db2.gz WYICWYFNSMJSKO-JKSUJKDBSA-N 1 3 365.522 -0.128 20 0 FBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000560030935 483862856 /nfs/dbraw/zinc/86/28/56/483862856.db2.gz LLQNJCWKGCSNOB-HNNXBMFYSA-N 1 3 353.511 -0.413 20 0 FBADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000560030936 483863151 /nfs/dbraw/zinc/86/31/51/483863151.db2.gz LLQNJCWKGCSNOB-OAHLLOKOSA-N 1 3 353.511 -0.413 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000560031712 483863146 /nfs/dbraw/zinc/86/31/46/483863146.db2.gz BWANGIGMQIUGSA-INIZCTEOSA-N 1 3 367.538 -0.025 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000560031713 483863126 /nfs/dbraw/zinc/86/31/26/483863126.db2.gz BWANGIGMQIUGSA-MRXNPFEDSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000560034389 483863080 /nfs/dbraw/zinc/86/30/80/483863080.db2.gz NUCVMAFNBDTQFE-DLBZAZTESA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000560034390 483862900 /nfs/dbraw/zinc/86/29/00/483862900.db2.gz NUCVMAFNBDTQFE-IAGOWNOFSA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000560034391 483863010 /nfs/dbraw/zinc/86/30/10/483863010.db2.gz NUCVMAFNBDTQFE-IRXDYDNUSA-N 1 3 367.538 -0.071 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000560034392 483863241 /nfs/dbraw/zinc/86/32/41/483863241.db2.gz NUCVMAFNBDTQFE-SJORKVTESA-N 1 3 367.538 -0.071 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nnc2n1CCCC2 ZINC000560258795 483868426 /nfs/dbraw/zinc/86/84/26/483868426.db2.gz SKMJUMBXPUMCMF-UHFFFAOYSA-N 1 3 365.482 -0.818 20 0 FBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000560637467 483880319 /nfs/dbraw/zinc/88/03/19/483880319.db2.gz GROVWVVJHRHAEH-INIZCTEOSA-N 1 3 355.527 -0.119 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000560637468 483880371 /nfs/dbraw/zinc/88/03/71/483880371.db2.gz GROVWVVJHRHAEH-MRXNPFEDSA-N 1 3 355.527 -0.119 20 0 FBADHO CC(C)OC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000560637494 483880309 /nfs/dbraw/zinc/88/03/09/483880309.db2.gz QFWZWHYIUANMRV-INIZCTEOSA-N 1 3 372.510 -0.409 20 0 FBADHO CC(C)OC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000560637495 483880476 /nfs/dbraw/zinc/88/04/76/483880476.db2.gz QFWZWHYIUANMRV-MRXNPFEDSA-N 1 3 372.510 -0.409 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000560668644 483882038 /nfs/dbraw/zinc/88/20/38/483882038.db2.gz RQEOHEOBNGQYCF-CABCVRRESA-N 1 3 367.494 -0.792 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000560668648 483882349 /nfs/dbraw/zinc/88/23/49/483882349.db2.gz RQEOHEOBNGQYCF-GJZGRUSLSA-N 1 3 367.494 -0.792 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000560668650 483882318 /nfs/dbraw/zinc/88/23/18/483882318.db2.gz RQEOHEOBNGQYCF-HUUCEWRRSA-N 1 3 367.494 -0.792 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000560668651 483882105 /nfs/dbraw/zinc/88/21/05/483882105.db2.gz RQEOHEOBNGQYCF-LSDHHAIUSA-N 1 3 367.494 -0.792 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561044469 483890624 /nfs/dbraw/zinc/89/06/24/483890624.db2.gz FHHTULZUJSBPAZ-HNNXBMFYSA-N 1 3 369.510 -0.545 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561044470 483890703 /nfs/dbraw/zinc/89/07/03/483890703.db2.gz FHHTULZUJSBPAZ-OAHLLOKOSA-N 1 3 369.510 -0.545 20 0 FBADHO COC[C@]1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]1 ZINC000561212571 483896601 /nfs/dbraw/zinc/89/66/01/483896601.db2.gz BEALVIWBXBCYSL-GOSISDBHSA-N 1 3 367.494 -0.295 20 0 FBADHO COC[C@@]1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]1 ZINC000561212574 483896912 /nfs/dbraw/zinc/89/69/12/483896912.db2.gz BEALVIWBXBCYSL-SFHVURJKSA-N 1 3 367.494 -0.295 20 0 FBADHO CN1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](CN)C1 ZINC000561213196 483896549 /nfs/dbraw/zinc/89/65/49/483896549.db2.gz YVMFBZSAJGUPBG-NEPJUHHUSA-N 1 3 352.405 -0.893 20 0 FBADHO CN1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](CN)C1 ZINC000561213197 483896970 /nfs/dbraw/zinc/89/69/70/483896970.db2.gz YVMFBZSAJGUPBG-NWDGAFQWSA-N 1 3 352.405 -0.893 20 0 FBADHO CN1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H](CN)C1 ZINC000561213198 483896448 /nfs/dbraw/zinc/89/64/48/483896448.db2.gz YVMFBZSAJGUPBG-RYUDHWBXSA-N 1 3 352.405 -0.893 20 0 FBADHO CN1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H](CN)C1 ZINC000561213199 483896829 /nfs/dbraw/zinc/89/68/29/483896829.db2.gz YVMFBZSAJGUPBG-VXGBXAGGSA-N 1 3 352.405 -0.893 20 0 FBADHO CC(C)C[N@H+]1CC[C@@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000561223578 483897719 /nfs/dbraw/zinc/89/77/19/483897719.db2.gz AWDJEKVOJMLTNY-AWEZNQCLSA-N 1 3 351.499 -0.248 20 0 FBADHO CC(C)C[N@@H+]1CC[C@@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000561223578 483897716 /nfs/dbraw/zinc/89/77/16/483897716.db2.gz AWDJEKVOJMLTNY-AWEZNQCLSA-N 1 3 351.499 -0.248 20 0 FBADHO CC(C)C[N@H+]1CC[C@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000561223579 483897316 /nfs/dbraw/zinc/89/73/16/483897316.db2.gz AWDJEKVOJMLTNY-CQSZACIVSA-N 1 3 351.499 -0.248 20 0 FBADHO CC(C)C[N@@H+]1CC[C@H](CNc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000561223579 483897315 /nfs/dbraw/zinc/89/73/15/483897315.db2.gz AWDJEKVOJMLTNY-CQSZACIVSA-N 1 3 351.499 -0.248 20 0 FBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000561230559 483897377 /nfs/dbraw/zinc/89/73/77/483897377.db2.gz ANCJCQPNWBWRFR-DLBZAZTESA-N 1 3 361.490 -0.623 20 0 FBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000561230560 483897366 /nfs/dbraw/zinc/89/73/66/483897366.db2.gz ANCJCQPNWBWRFR-IAGOWNOFSA-N 1 3 361.490 -0.623 20 0 FBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561230561 483897632 /nfs/dbraw/zinc/89/76/32/483897632.db2.gz ANCJCQPNWBWRFR-IRXDYDNUSA-N 1 3 361.490 -0.623 20 0 FBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561230562 483897342 /nfs/dbraw/zinc/89/73/42/483897342.db2.gz ANCJCQPNWBWRFR-SJORKVTESA-N 1 3 361.490 -0.623 20 0 FBADHO CCC(=O)N1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000561647147 483919371 /nfs/dbraw/zinc/91/93/71/483919371.db2.gz IJCLCQFJKYAWSX-AWEZNQCLSA-N 1 3 355.483 -0.935 20 0 FBADHO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000561647156 483919277 /nfs/dbraw/zinc/91/92/77/483919277.db2.gz IJCLCQFJKYAWSX-CQSZACIVSA-N 1 3 355.483 -0.935 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000561741996 483925349 /nfs/dbraw/zinc/92/53/49/483925349.db2.gz AXCLXSGOADMDMU-CVEARBPZSA-N 1 3 370.494 -0.825 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000561741997 483925306 /nfs/dbraw/zinc/92/53/06/483925306.db2.gz AXCLXSGOADMDMU-HOTGVXAUSA-N 1 3 370.494 -0.825 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000561741998 483926974 /nfs/dbraw/zinc/92/69/74/483926974.db2.gz AXCLXSGOADMDMU-HZPDHXFCSA-N 1 3 370.494 -0.825 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000561742001 483927141 /nfs/dbraw/zinc/92/71/41/483927141.db2.gz AXCLXSGOADMDMU-JKSUJKDBSA-N 1 3 370.494 -0.825 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000561814196 483932803 /nfs/dbraw/zinc/93/28/03/483932803.db2.gz JFPZIJRFSFTVCT-UHFFFAOYSA-N 1 3 367.498 -0.946 20 0 FBADHO COCCN(CCOC)C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000561973673 483953306 /nfs/dbraw/zinc/95/33/06/483953306.db2.gz BIGGDKZEMYEMPL-UHFFFAOYSA-N 1 3 368.478 -0.357 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000561997452 483958819 /nfs/dbraw/zinc/95/88/19/483958819.db2.gz BJFOJNDFSDEAIO-CABCVRRESA-N 1 3 353.511 -0.273 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000561997452 483958814 /nfs/dbraw/zinc/95/88/14/483958814.db2.gz BJFOJNDFSDEAIO-CABCVRRESA-N 1 3 353.511 -0.273 20 0 FBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000561997453 483958294 /nfs/dbraw/zinc/95/82/94/483958294.db2.gz BJFOJNDFSDEAIO-GJZGRUSLSA-N 1 3 353.511 -0.273 20 0 FBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000561997453 483958286 /nfs/dbraw/zinc/95/82/86/483958286.db2.gz BJFOJNDFSDEAIO-GJZGRUSLSA-N 1 3 353.511 -0.273 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000561997454 483958676 /nfs/dbraw/zinc/95/86/76/483958676.db2.gz BJFOJNDFSDEAIO-HUUCEWRRSA-N 1 3 353.511 -0.273 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000561997454 483958667 /nfs/dbraw/zinc/95/86/67/483958667.db2.gz BJFOJNDFSDEAIO-HUUCEWRRSA-N 1 3 353.511 -0.273 20 0 FBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000561997455 483958512 /nfs/dbraw/zinc/95/85/12/483958512.db2.gz BJFOJNDFSDEAIO-LSDHHAIUSA-N 1 3 353.511 -0.273 20 0 FBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000561997455 483958505 /nfs/dbraw/zinc/95/85/05/483958505.db2.gz BJFOJNDFSDEAIO-LSDHHAIUSA-N 1 3 353.511 -0.273 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000562148656 483978125 /nfs/dbraw/zinc/97/81/25/483978125.db2.gz WWKGRKNFWQPSRR-UHFFFAOYSA-N 1 3 357.480 -0.688 20 0 FBADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000562829160 484033166 /nfs/dbraw/zinc/03/31/66/484033166.db2.gz YPTDVDPWCZZNQR-HNNXBMFYSA-N 1 3 367.494 -0.744 20 0 FBADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000562829161 484032746 /nfs/dbraw/zinc/03/27/46/484032746.db2.gz YPTDVDPWCZZNQR-OAHLLOKOSA-N 1 3 367.494 -0.744 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000562829287 484033760 /nfs/dbraw/zinc/03/37/60/484033760.db2.gz RQINMXBHVDDABP-INIZCTEOSA-N 1 3 355.527 -0.038 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000562829288 484033235 /nfs/dbraw/zinc/03/32/35/484033235.db2.gz RQINMXBHVDDABP-MRXNPFEDSA-N 1 3 355.527 -0.038 20 0 FBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000562957815 484066713 /nfs/dbraw/zinc/06/67/13/484066713.db2.gz RFYVISRVJUCOJM-INIZCTEOSA-N 1 3 365.522 -0.175 20 0 FBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000562957816 484067956 /nfs/dbraw/zinc/06/79/56/484067956.db2.gz RFYVISRVJUCOJM-MRXNPFEDSA-N 1 3 365.522 -0.175 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[C@@H](CN)C1 ZINC000562961651 484070205 /nfs/dbraw/zinc/07/02/05/484070205.db2.gz ITSXBTFGWKLHAG-BHYGNILZSA-N 1 3 363.506 -0.437 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[C@@H](CN)C1 ZINC000562961651 484070199 /nfs/dbraw/zinc/07/01/99/484070199.db2.gz ITSXBTFGWKLHAG-BHYGNILZSA-N 1 3 363.506 -0.437 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@H](CN)C1 ZINC000562961652 484069762 /nfs/dbraw/zinc/06/97/62/484069762.db2.gz ITSXBTFGWKLHAG-DJIMGWMZSA-N 1 3 363.506 -0.437 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@H](CN)C1 ZINC000562961652 484069756 /nfs/dbraw/zinc/06/97/56/484069756.db2.gz ITSXBTFGWKLHAG-DJIMGWMZSA-N 1 3 363.506 -0.437 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@@H](CN)C1 ZINC000562961653 484069557 /nfs/dbraw/zinc/06/95/57/484069557.db2.gz ITSXBTFGWKLHAG-HYVNUMGLSA-N 1 3 363.506 -0.437 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[C@@H](CN)C1 ZINC000562961653 484069548 /nfs/dbraw/zinc/06/95/48/484069548.db2.gz ITSXBTFGWKLHAG-HYVNUMGLSA-N 1 3 363.506 -0.437 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[C@H](CN)C1 ZINC000562961654 484069521 /nfs/dbraw/zinc/06/95/21/484069521.db2.gz ITSXBTFGWKLHAG-USXIJHARSA-N 1 3 363.506 -0.437 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[C@H](CN)C1 ZINC000562961654 484069514 /nfs/dbraw/zinc/06/95/14/484069514.db2.gz ITSXBTFGWKLHAG-USXIJHARSA-N 1 3 363.506 -0.437 20 0 FBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)COC2CCC([NH3+])CC2)cn1 ZINC000563083637 483770680 /nfs/dbraw/zinc/77/06/80/483770680.db2.gz TUFQPPOYJSAPIQ-UHFFFAOYSA-N 1 3 366.466 -0.214 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000563131531 483864864 /nfs/dbraw/zinc/86/48/64/483864864.db2.gz RQFMLYTUSXRAIM-UHFFFAOYSA-N 1 3 369.510 -0.591 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000563210056 483917285 /nfs/dbraw/zinc/91/72/85/483917285.db2.gz BVTTXCFJQHUZCJ-UHFFFAOYSA-N 1 3 358.512 -0.755 20 0 FBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000563214926 483921164 /nfs/dbraw/zinc/92/11/64/483921164.db2.gz KSMDNGXZYOJSEG-DLBZAZTESA-N 1 3 365.522 -0.460 20 0 FBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000563214931 483920802 /nfs/dbraw/zinc/92/08/02/483920802.db2.gz KSMDNGXZYOJSEG-IAGOWNOFSA-N 1 3 365.522 -0.460 20 0 FBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000563214933 483919911 /nfs/dbraw/zinc/91/99/11/483919911.db2.gz KSMDNGXZYOJSEG-IRXDYDNUSA-N 1 3 365.522 -0.460 20 0 FBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000563214935 483920498 /nfs/dbraw/zinc/92/04/98/483920498.db2.gz KSMDNGXZYOJSEG-SJORKVTESA-N 1 3 365.522 -0.460 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)CN1CCN(C)CC1 ZINC000563321768 484060201 /nfs/dbraw/zinc/06/02/01/484060201.db2.gz SDCPXYNRUXGJPY-INIZCTEOSA-N 1 3 367.538 -0.023 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)CN1CCN(C)CC1 ZINC000563321768 484060196 /nfs/dbraw/zinc/06/01/96/484060196.db2.gz SDCPXYNRUXGJPY-INIZCTEOSA-N 1 3 367.538 -0.023 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)CN1CCN(C)CC1 ZINC000563321770 484061253 /nfs/dbraw/zinc/06/12/53/484061253.db2.gz SDCPXYNRUXGJPY-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)CN1CCN(C)CC1 ZINC000563321770 484061245 /nfs/dbraw/zinc/06/12/45/484061245.db2.gz SDCPXYNRUXGJPY-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO COC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC000563386710 484076185 /nfs/dbraw/zinc/07/61/85/484076185.db2.gz JZQWZZDWMXQLPE-JYJNAYRXSA-N 1 3 354.495 -0.083 20 0 FBADHO COC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC000563386710 484076178 /nfs/dbraw/zinc/07/61/78/484076178.db2.gz JZQWZZDWMXQLPE-JYJNAYRXSA-N 1 3 354.495 -0.083 20 0 FBADHO COC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC000563386712 484075886 /nfs/dbraw/zinc/07/58/86/484075886.db2.gz JZQWZZDWMXQLPE-OAGGEKHMSA-N 1 3 354.495 -0.083 20 0 FBADHO COC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC000563386712 484075883 /nfs/dbraw/zinc/07/58/83/484075883.db2.gz JZQWZZDWMXQLPE-OAGGEKHMSA-N 1 3 354.495 -0.083 20 0 FBADHO COC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC000563386714 484075930 /nfs/dbraw/zinc/07/59/30/484075930.db2.gz JZQWZZDWMXQLPE-PMPSAXMXSA-N 1 3 354.495 -0.083 20 0 FBADHO COC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)CN1CC[C@H](C)C1 ZINC000563386714 484075925 /nfs/dbraw/zinc/07/59/25/484075925.db2.gz JZQWZZDWMXQLPE-PMPSAXMXSA-N 1 3 354.495 -0.083 20 0 FBADHO COC[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC000563386717 484075599 /nfs/dbraw/zinc/07/55/99/484075599.db2.gz JZQWZZDWMXQLPE-XHSDSOJGSA-N 1 3 354.495 -0.083 20 0 FBADHO COC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC000563386717 484075592 /nfs/dbraw/zinc/07/55/92/484075592.db2.gz JZQWZZDWMXQLPE-XHSDSOJGSA-N 1 3 354.495 -0.083 20 0 FBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453888 484107582 /nfs/dbraw/zinc/10/75/82/484107582.db2.gz HWCCMYSFYGSQLW-HNNXBMFYSA-N 1 3 360.462 -0.812 20 0 FBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000563548343 484141561 /nfs/dbraw/zinc/14/15/61/484141561.db2.gz CKAALRGIIYDFCP-UHFFFAOYSA-N 1 3 363.462 -0.599 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000563609998 484150491 /nfs/dbraw/zinc/15/04/91/484150491.db2.gz VEYBQZPFQDZVSY-HNNXBMFYSA-N 1 3 355.483 -0.440 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000563609999 484150308 /nfs/dbraw/zinc/15/03/08/484150308.db2.gz VEYBQZPFQDZVSY-OAHLLOKOSA-N 1 3 355.483 -0.440 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](CN)C1 ZINC000563611252 484150453 /nfs/dbraw/zinc/15/04/53/484150453.db2.gz RVZAYGGCROUQFQ-INIZCTEOSA-N 1 3 353.511 -0.140 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](CN)C1 ZINC000563611255 484150399 /nfs/dbraw/zinc/15/03/99/484150399.db2.gz RVZAYGGCROUQFQ-MRXNPFEDSA-N 1 3 353.511 -0.140 20 0 FBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CSCCN2)c1 ZINC000563623127 484165606 /nfs/dbraw/zinc/16/56/06/484165606.db2.gz FRRDCNBXNYYULF-GFCCVEGCSA-N 1 3 358.489 -0.043 20 0 FBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CSCCN2)c1 ZINC000563623137 484165338 /nfs/dbraw/zinc/16/53/38/484165338.db2.gz FRRDCNBXNYYULF-LBPRGKRZSA-N 1 3 358.489 -0.043 20 0 FBADHO CN1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](CN)C1 ZINC000563633453 484178964 /nfs/dbraw/zinc/17/89/64/484178964.db2.gz KAFJJTBXBDQKLJ-KRWDZBQOSA-N 1 3 374.489 -0.485 20 0 FBADHO CN1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H](CN)C1 ZINC000563633459 484177971 /nfs/dbraw/zinc/17/79/71/484177971.db2.gz KAFJJTBXBDQKLJ-QGZVFWFLSA-N 1 3 374.489 -0.485 20 0 FBADHO CN(CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000563645482 484182399 /nfs/dbraw/zinc/18/23/99/484182399.db2.gz WAKMHAOEMPLJOD-UHFFFAOYSA-N 1 3 359.474 -0.649 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563647540 484182416 /nfs/dbraw/zinc/18/24/16/484182416.db2.gz IOTODPHIBWLQLS-ARFHVFGLSA-N 1 3 353.511 -0.558 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563647566 484182021 /nfs/dbraw/zinc/18/20/21/484182021.db2.gz IOTODPHIBWLQLS-BZUAXINKSA-N 1 3 353.511 -0.558 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563647567 484181822 /nfs/dbraw/zinc/18/18/22/484181822.db2.gz IOTODPHIBWLQLS-HRCADAONSA-N 1 3 353.511 -0.558 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563647570 484182462 /nfs/dbraw/zinc/18/24/62/484182462.db2.gz IOTODPHIBWLQLS-OWCLPIDISA-N 1 3 353.511 -0.558 20 0 FBADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCCN(C)CC[NH+](C)C ZINC000563652098 484184213 /nfs/dbraw/zinc/18/42/13/484184213.db2.gz TVTQWLKIXIXULZ-HNNXBMFYSA-N 1 3 355.527 -0.086 20 0 FBADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCCN(C)CC[NH+](C)C ZINC000563652100 484183778 /nfs/dbraw/zinc/18/37/78/484183778.db2.gz TVTQWLKIXIXULZ-OAHLLOKOSA-N 1 3 355.527 -0.086 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000563661435 484186645 /nfs/dbraw/zinc/18/66/45/484186645.db2.gz XJYHWTJMZUJYOL-UHFFFAOYSA-N 1 3 367.494 -0.885 20 0 FBADHO Cc1nccn1CCNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000563662818 484185669 /nfs/dbraw/zinc/18/56/69/484185669.db2.gz BVYLCDKIHGRMLG-UHFFFAOYSA-N 1 3 350.467 -0.550 20 0 FBADHO CNS(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000563763067 484040064 /nfs/dbraw/zinc/04/00/64/484040064.db2.gz ZMNAEWDKYGPISH-UHFFFAOYSA-N 1 3 372.495 -0.053 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C)[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC000563816980 484052294 /nfs/dbraw/zinc/05/22/94/484052294.db2.gz TVOLMNNBUSXWNS-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CCN(CC)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)CCN1C ZINC000563816980 484052290 /nfs/dbraw/zinc/05/22/90/484052290.db2.gz TVOLMNNBUSXWNS-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C)[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC000563816985 484052598 /nfs/dbraw/zinc/05/25/98/484052598.db2.gz TVOLMNNBUSXWNS-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)CCN1C ZINC000563816985 484052594 /nfs/dbraw/zinc/05/25/94/484052594.db2.gz TVOLMNNBUSXWNS-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000563888347 484085382 /nfs/dbraw/zinc/08/53/82/484085382.db2.gz JHBXADSAAFPERF-ARFHVFGLSA-N 1 3 351.495 -0.580 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000563888347 484085378 /nfs/dbraw/zinc/08/53/78/484085378.db2.gz JHBXADSAAFPERF-ARFHVFGLSA-N 1 3 351.495 -0.580 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000563888348 484084238 /nfs/dbraw/zinc/08/42/38/484084238.db2.gz JHBXADSAAFPERF-BZUAXINKSA-N 1 3 351.495 -0.580 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000563888348 484084234 /nfs/dbraw/zinc/08/42/34/484084234.db2.gz JHBXADSAAFPERF-BZUAXINKSA-N 1 3 351.495 -0.580 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000563888349 484084337 /nfs/dbraw/zinc/08/43/37/484084337.db2.gz JHBXADSAAFPERF-OAGGEKHMSA-N 1 3 351.495 -0.580 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000563888349 484084334 /nfs/dbraw/zinc/08/43/34/484084334.db2.gz JHBXADSAAFPERF-OAGGEKHMSA-N 1 3 351.495 -0.580 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000563888351 484084406 /nfs/dbraw/zinc/08/44/06/484084406.db2.gz JHBXADSAAFPERF-XHSDSOJGSA-N 1 3 351.495 -0.580 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000563888351 484084403 /nfs/dbraw/zinc/08/44/03/484084403.db2.gz JHBXADSAAFPERF-XHSDSOJGSA-N 1 3 351.495 -0.580 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000563893528 484157599 /nfs/dbraw/zinc/15/75/99/484157599.db2.gz CQOHMWJVDPNFLJ-CVEARBPZSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1S(N)(=O)=O ZINC000563958127 484535864 /nfs/dbraw/zinc/53/58/64/484535864.db2.gz SDCSDSCHJOWUKN-UHFFFAOYSA-N 1 3 371.507 -0.031 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000564064814 484675243 /nfs/dbraw/zinc/67/52/43/484675243.db2.gz JXOMTNXFXLJXLD-UHFFFAOYSA-N 1 3 359.474 -0.472 20 0 FBADHO CC(=O)N1CCN(C(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000564123537 484686206 /nfs/dbraw/zinc/68/62/06/484686206.db2.gz JCOFPIAYWDKDFT-INIZCTEOSA-N 1 3 355.527 -0.119 20 0 FBADHO CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000564123538 484686506 /nfs/dbraw/zinc/68/65/06/484686506.db2.gz JCOFPIAYWDKDFT-MRXNPFEDSA-N 1 3 355.527 -0.119 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564206155 484545090 /nfs/dbraw/zinc/54/50/90/484545090.db2.gz SZIIEPAMOATEQH-CABCVRRESA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564206156 484544789 /nfs/dbraw/zinc/54/47/89/484544789.db2.gz SZIIEPAMOATEQH-GJZGRUSLSA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000564206157 484545434 /nfs/dbraw/zinc/54/54/34/484545434.db2.gz SZIIEPAMOATEQH-HUUCEWRRSA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564206158 484545401 /nfs/dbraw/zinc/54/54/01/484545401.db2.gz SZIIEPAMOATEQH-LSDHHAIUSA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000564273042 484679969 /nfs/dbraw/zinc/67/99/69/484679969.db2.gz RVGNGPJATQLIKO-AWEZNQCLSA-N 1 3 350.467 -0.734 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000564273091 484679823 /nfs/dbraw/zinc/67/98/23/484679823.db2.gz RVGNGPJATQLIKO-CQSZACIVSA-N 1 3 350.467 -0.734 20 0 FBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000564469741 483799324 /nfs/dbraw/zinc/79/93/24/483799324.db2.gz BKLHAMGFQCGEDM-HNNXBMFYSA-N 1 3 361.446 -0.928 20 0 FBADHO COC(=O)c1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1C ZINC000564702623 485155575 /nfs/dbraw/zinc/15/55/75/485155575.db2.gz XNYPCRHBCYECNQ-UHFFFAOYSA-N 1 3 367.450 -0.298 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H](CN)C1 ZINC000564715542 483918455 /nfs/dbraw/zinc/91/84/55/483918455.db2.gz LMFKVZWVMJZHFX-KRWDZBQOSA-N 1 3 361.490 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H](CN)C1 ZINC000564715542 483918451 /nfs/dbraw/zinc/91/84/51/483918451.db2.gz LMFKVZWVMJZHFX-KRWDZBQOSA-N 1 3 361.490 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H](CN)C1 ZINC000564715546 483918882 /nfs/dbraw/zinc/91/88/82/483918882.db2.gz LMFKVZWVMJZHFX-QGZVFWFLSA-N 1 3 361.490 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H](CN)C1 ZINC000564715546 483918878 /nfs/dbraw/zinc/91/88/78/483918878.db2.gz LMFKVZWVMJZHFX-QGZVFWFLSA-N 1 3 361.490 -0.274 20 0 FBADHO C[C@H]1CN(CC2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000564739122 485156924 /nfs/dbraw/zinc/15/69/24/485156924.db2.gz BLMVBZYBXZBJTD-DZKIICNBSA-N 1 3 352.479 -0.188 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000564825317 485157647 /nfs/dbraw/zinc/15/76/47/485157647.db2.gz YEPTTXJTFRXOKG-ARFHVFGLSA-N 1 3 353.511 -0.476 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000564825318 485157618 /nfs/dbraw/zinc/15/76/18/485157618.db2.gz YEPTTXJTFRXOKG-HRCADAONSA-N 1 3 353.511 -0.476 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000564825319 485157354 /nfs/dbraw/zinc/15/73/54/485157354.db2.gz YEPTTXJTFRXOKG-JYJNAYRXSA-N 1 3 353.511 -0.476 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000564825320 485158077 /nfs/dbraw/zinc/15/80/77/485158077.db2.gz YEPTTXJTFRXOKG-XHSDSOJGSA-N 1 3 353.511 -0.476 20 0 FBADHO CN1CCN(C[C@@H](O)CNCc2ccncc2OCC[NH+](C)C)CC1 ZINC000564868980 485158596 /nfs/dbraw/zinc/15/85/96/485158596.db2.gz LQBGADNNQXMWHQ-KRWDZBQOSA-N 1 3 351.495 -0.280 20 0 FBADHO CN1CCN(C[C@H](O)CNCc2ccncc2OCC[NH+](C)C)CC1 ZINC000564868981 485158749 /nfs/dbraw/zinc/15/87/49/485158749.db2.gz LQBGADNNQXMWHQ-QGZVFWFLSA-N 1 3 351.495 -0.280 20 0 FBADHO COC(=O)C1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000564918214 485159894 /nfs/dbraw/zinc/15/98/94/485159894.db2.gz OUUQKXHDWSPPDY-AWEZNQCLSA-N 1 3 354.451 -0.754 20 0 FBADHO COC(=O)C1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000564918226 485160399 /nfs/dbraw/zinc/16/03/99/485160399.db2.gz OUUQKXHDWSPPDY-CQSZACIVSA-N 1 3 354.451 -0.754 20 0 FBADHO C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)C(=O)NCCN1CCCCC1 ZINC000564936304 485161378 /nfs/dbraw/zinc/16/13/78/485161378.db2.gz CFPPBZQTKJZKIP-CYBMUJFWSA-N 1 3 351.455 -0.653 20 0 FBADHO CSC1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH+](C)CC1 ZINC000565250277 485173909 /nfs/dbraw/zinc/17/39/09/485173909.db2.gz KVQSBHSWKDALPT-CHWSQXEVSA-N 1 3 355.508 -0.233 20 0 FBADHO CSC1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH+](C)CC1 ZINC000565250278 485174525 /nfs/dbraw/zinc/17/45/25/485174525.db2.gz KVQSBHSWKDALPT-OLZOCXBDSA-N 1 3 355.508 -0.233 20 0 FBADHO CSC1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH+](C)CC1 ZINC000565250279 485174071 /nfs/dbraw/zinc/17/40/71/485174071.db2.gz KVQSBHSWKDALPT-QWHCGFSZSA-N 1 3 355.508 -0.233 20 0 FBADHO CSC1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH+](C)CC1 ZINC000565250280 485174726 /nfs/dbraw/zinc/17/47/26/485174726.db2.gz KVQSBHSWKDALPT-STQMWFEESA-N 1 3 355.508 -0.233 20 0 FBADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000565255821 485175822 /nfs/dbraw/zinc/17/58/22/485175822.db2.gz VFZBCVMGJRVFTC-CVEARBPZSA-N 1 3 367.494 -0.171 20 0 FBADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000565255824 485175058 /nfs/dbraw/zinc/17/50/58/485175058.db2.gz VFZBCVMGJRVFTC-HOTGVXAUSA-N 1 3 367.494 -0.171 20 0 FBADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000565255826 485175401 /nfs/dbraw/zinc/17/54/01/485175401.db2.gz VFZBCVMGJRVFTC-HZPDHXFCSA-N 1 3 367.494 -0.171 20 0 FBADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000565255828 485175685 /nfs/dbraw/zinc/17/56/85/485175685.db2.gz VFZBCVMGJRVFTC-JKSUJKDBSA-N 1 3 367.494 -0.171 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000565321659 485178543 /nfs/dbraw/zinc/17/85/43/485178543.db2.gz ZTHIKWMTPWRRIY-UHFFFAOYSA-N 1 3 353.511 -0.269 20 0 FBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000565470904 485182833 /nfs/dbraw/zinc/18/28/33/485182833.db2.gz CVYRHUPMVOHYAM-AWEZNQCLSA-N 1 3 369.510 -0.907 20 0 FBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000565470905 485183170 /nfs/dbraw/zinc/18/31/70/485183170.db2.gz CVYRHUPMVOHYAM-CQSZACIVSA-N 1 3 369.510 -0.907 20 0 FBADHO Cc1nc2ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn2n1 ZINC000565570016 485186501 /nfs/dbraw/zinc/18/65/01/485186501.db2.gz RZRDHWVPIYKMMO-UHFFFAOYSA-N 1 3 361.450 -0.072 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000565589495 485187584 /nfs/dbraw/zinc/18/75/84/485187584.db2.gz KWRALAIKGMSQCI-HNNXBMFYSA-N 1 3 355.527 -0.167 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000565589496 485187751 /nfs/dbraw/zinc/18/77/51/485187751.db2.gz KWRALAIKGMSQCI-OAHLLOKOSA-N 1 3 355.527 -0.167 20 0 FBADHO CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](CN)C1 ZINC000565647713 485188396 /nfs/dbraw/zinc/18/83/96/485188396.db2.gz CBSJRBZQPLLHJC-GOSISDBHSA-N 1 3 373.501 0.000 20 0 FBADHO CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](CN)C1 ZINC000565647714 485188839 /nfs/dbraw/zinc/18/88/39/485188839.db2.gz CBSJRBZQPLLHJC-SFHVURJKSA-N 1 3 373.501 0.000 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000565909912 485197362 /nfs/dbraw/zinc/19/73/62/485197362.db2.gz IAKFMKIKVILVIE-UHFFFAOYSA-N 1 3 351.499 -0.104 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NCCC[NH+]2CCC(C)CC2)n1 ZINC000565998639 485201157 /nfs/dbraw/zinc/20/11/57/485201157.db2.gz FZNBAMSPXUVJKG-UHFFFAOYSA-N 1 3 351.499 -0.104 20 0 FBADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCO1 ZINC000566021335 485201740 /nfs/dbraw/zinc/20/17/40/485201740.db2.gz UZHXCEDQRVTKLG-ILXRZTDVSA-N 1 3 353.467 -0.559 20 0 FBADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCO1 ZINC000566021335 485201736 /nfs/dbraw/zinc/20/17/36/485201736.db2.gz UZHXCEDQRVTKLG-ILXRZTDVSA-N 1 3 353.467 -0.559 20 0 FBADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCO1 ZINC000566021336 485202059 /nfs/dbraw/zinc/20/20/59/485202059.db2.gz UZHXCEDQRVTKLG-KFWWJZLASA-N 1 3 353.467 -0.559 20 0 FBADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCO1 ZINC000566021336 485202055 /nfs/dbraw/zinc/20/20/55/485202055.db2.gz UZHXCEDQRVTKLG-KFWWJZLASA-N 1 3 353.467 -0.559 20 0 FBADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCO1 ZINC000566021337 485201859 /nfs/dbraw/zinc/20/18/59/485201859.db2.gz UZHXCEDQRVTKLG-QLFBSQMISA-N 1 3 353.467 -0.559 20 0 FBADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCO1 ZINC000566021337 485201858 /nfs/dbraw/zinc/20/18/58/485201858.db2.gz UZHXCEDQRVTKLG-QLFBSQMISA-N 1 3 353.467 -0.559 20 0 FBADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCO1 ZINC000566021338 485201491 /nfs/dbraw/zinc/20/14/91/485201491.db2.gz UZHXCEDQRVTKLG-RBSFLKMASA-N 1 3 353.467 -0.559 20 0 FBADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCO1 ZINC000566021338 485201483 /nfs/dbraw/zinc/20/14/83/485201483.db2.gz UZHXCEDQRVTKLG-RBSFLKMASA-N 1 3 353.467 -0.559 20 0 FBADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)n1 ZINC000566048765 484098544 /nfs/dbraw/zinc/09/85/44/484098544.db2.gz NDZHZACFZLOWIV-UHFFFAOYSA-N 1 3 362.478 0.374 20 0 FBADHO Cc1cnn([C@H]2CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2)c1 ZINC000566054832 485202789 /nfs/dbraw/zinc/20/27/89/485202789.db2.gz KPLVBZWBFYHZMI-INIZCTEOSA-N 1 3 364.494 -0.083 20 0 FBADHO Cc1cnn([C@@H]2CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C2)c1 ZINC000566054833 485202874 /nfs/dbraw/zinc/20/28/74/485202874.db2.gz KPLVBZWBFYHZMI-MRXNPFEDSA-N 1 3 364.494 -0.083 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000566090457 485203519 /nfs/dbraw/zinc/20/35/19/485203519.db2.gz XWQVOULCIWICNL-GOSISDBHSA-N 1 3 353.511 -0.460 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000566090458 485203236 /nfs/dbraw/zinc/20/32/36/485203236.db2.gz XWQVOULCIWICNL-SFHVURJKSA-N 1 3 353.511 -0.460 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC1 ZINC000566105466 485204269 /nfs/dbraw/zinc/20/42/69/485204269.db2.gz RBDFRDMYAGCPGG-JKSUJKDBSA-N 1 3 362.478 -0.479 20 0 FBADHO CN1CCN(Cc2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000566168853 485205823 /nfs/dbraw/zinc/20/58/23/485205823.db2.gz RADPORRTCUTVOE-GOSISDBHSA-N 1 3 373.501 -0.082 20 0 FBADHO CN1CCN(Cc2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000566168854 485205195 /nfs/dbraw/zinc/20/51/95/485205195.db2.gz RADPORRTCUTVOE-SFHVURJKSA-N 1 3 373.501 -0.082 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566178899 485206926 /nfs/dbraw/zinc/20/69/26/485206926.db2.gz INEQKKAUZDUJSX-HNNXBMFYSA-N 1 3 367.494 -0.743 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566178900 485206435 /nfs/dbraw/zinc/20/64/35/485206435.db2.gz INEQKKAUZDUJSX-OAHLLOKOSA-N 1 3 367.494 -0.743 20 0 FBADHO CC(C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C)CC1 ZINC000566181295 485206832 /nfs/dbraw/zinc/20/68/32/485206832.db2.gz RIEXRQIUNVIWAZ-CVEARBPZSA-N 1 3 353.511 -0.367 20 0 FBADHO CC(C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C)CC1 ZINC000566181296 485206698 /nfs/dbraw/zinc/20/66/98/485206698.db2.gz RIEXRQIUNVIWAZ-HOTGVXAUSA-N 1 3 353.511 -0.367 20 0 FBADHO CC(C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C)CC1 ZINC000566181297 485206890 /nfs/dbraw/zinc/20/68/90/485206890.db2.gz RIEXRQIUNVIWAZ-HZPDHXFCSA-N 1 3 353.511 -0.367 20 0 FBADHO CC(C)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C)CC1 ZINC000566181298 485206647 /nfs/dbraw/zinc/20/66/47/485206647.db2.gz RIEXRQIUNVIWAZ-JKSUJKDBSA-N 1 3 353.511 -0.367 20 0 FBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000566203659 485207785 /nfs/dbraw/zinc/20/77/85/485207785.db2.gz YIFOBIWDQBBOQC-FLTUCWPJSA-N 1 3 352.479 -0.168 20 0 FBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000566203660 485207535 /nfs/dbraw/zinc/20/75/35/485207535.db2.gz YIFOBIWDQBBOQC-KYZVSKTDSA-N 1 3 352.479 -0.168 20 0 FBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000566203661 485207701 /nfs/dbraw/zinc/20/77/01/485207701.db2.gz YIFOBIWDQBBOQC-NPSOMJIGSA-N 1 3 352.479 -0.168 20 0 FBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000566203662 485207777 /nfs/dbraw/zinc/20/77/77/485207777.db2.gz YIFOBIWDQBBOQC-UYAYXHRUSA-N 1 3 352.479 -0.168 20 0 FBADHO C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@H](C)N[C@@H](C)C3)CC[NH2+]C2)C[C@@H](C)N1 ZINC000566247108 485209787 /nfs/dbraw/zinc/20/97/87/485209787.db2.gz XARVAYOMEFDUGE-MZZPOWALSA-N 1 3 365.522 -0.226 20 0 FBADHO C[C@@H]1CN(C(=O)C[C@]2(C(=O)N3C[C@H](C)N[C@@H](C)C3)CC[NH2+]C2)C[C@H](C)N1 ZINC000566247109 485210092 /nfs/dbraw/zinc/21/00/92/485210092.db2.gz XARVAYOMEFDUGE-ZHEXZJMTSA-N 1 3 365.522 -0.226 20 0 FBADHO CN(C)CCN1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000566379972 485215376 /nfs/dbraw/zinc/21/53/76/485215376.db2.gz YCSSPWKCAABUSI-UHFFFAOYSA-N 1 3 353.511 -0.284 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000566441034 485218292 /nfs/dbraw/zinc/21/82/92/485218292.db2.gz ZETIQYBBDYBZRW-INIZCTEOSA-N 1 3 362.478 -0.177 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000566441035 485218086 /nfs/dbraw/zinc/21/80/86/485218086.db2.gz ZETIQYBBDYBZRW-MRXNPFEDSA-N 1 3 362.478 -0.177 20 0 FBADHO Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1C[NH+](C)C ZINC000566504212 485221548 /nfs/dbraw/zinc/22/15/48/485221548.db2.gz AFYCVSVFXZCLNY-CVEARBPZSA-N 1 3 373.457 -0.234 20 0 FBADHO Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C[NH+](C)C ZINC000566504214 485221515 /nfs/dbraw/zinc/22/15/15/485221515.db2.gz AFYCVSVFXZCLNY-HOTGVXAUSA-N 1 3 373.457 -0.234 20 0 FBADHO Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1C[NH+](C)C ZINC000566504216 485221683 /nfs/dbraw/zinc/22/16/83/485221683.db2.gz AFYCVSVFXZCLNY-HZPDHXFCSA-N 1 3 373.457 -0.234 20 0 FBADHO Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1C[NH+](C)C ZINC000566504217 485221857 /nfs/dbraw/zinc/22/18/57/485221857.db2.gz AFYCVSVFXZCLNY-JKSUJKDBSA-N 1 3 373.457 -0.234 20 0 FBADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566511290 485222501 /nfs/dbraw/zinc/22/25/01/485222501.db2.gz OHGSVZFGNCIFAD-CABCVRRESA-N 1 3 367.494 -0.615 20 0 FBADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566511291 485222372 /nfs/dbraw/zinc/22/23/72/485222372.db2.gz OHGSVZFGNCIFAD-GJZGRUSLSA-N 1 3 367.494 -0.615 20 0 FBADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566511292 485222946 /nfs/dbraw/zinc/22/29/46/485222946.db2.gz OHGSVZFGNCIFAD-HUUCEWRRSA-N 1 3 367.494 -0.615 20 0 FBADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566511293 485223019 /nfs/dbraw/zinc/22/30/19/485223019.db2.gz OHGSVZFGNCIFAD-LSDHHAIUSA-N 1 3 367.494 -0.615 20 0 FBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000566676772 485227118 /nfs/dbraw/zinc/22/71/18/485227118.db2.gz DTIUXVPUUMDSMP-INIZCTEOSA-N 1 3 352.479 -0.185 20 0 FBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000566676773 485227036 /nfs/dbraw/zinc/22/70/36/485227036.db2.gz DTIUXVPUUMDSMP-MRXNPFEDSA-N 1 3 352.479 -0.185 20 0 FBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000566679416 485227513 /nfs/dbraw/zinc/22/75/13/485227513.db2.gz VBZFFPMTZJABBY-CABCVRRESA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000566679419 485227816 /nfs/dbraw/zinc/22/78/16/485227816.db2.gz VBZFFPMTZJABBY-GJZGRUSLSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000566679420 485226998 /nfs/dbraw/zinc/22/69/98/485226998.db2.gz VBZFFPMTZJABBY-HUUCEWRRSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000566679422 485227027 /nfs/dbraw/zinc/22/70/27/485227027.db2.gz VBZFFPMTZJABBY-LSDHHAIUSA-N 1 3 353.511 -0.286 20 0 FBADHO C[NH+](C)CCN1CCC(NC(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC000566822863 485231639 /nfs/dbraw/zinc/23/16/39/485231639.db2.gz AJIBAFMERZDXLE-INIZCTEOSA-N 1 3 368.526 -0.349 20 0 FBADHO C[NH+](C)CCN1CCC(NC(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000566822869 485231681 /nfs/dbraw/zinc/23/16/81/485231681.db2.gz AJIBAFMERZDXLE-MRXNPFEDSA-N 1 3 368.526 -0.349 20 0 FBADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000566915631 485235692 /nfs/dbraw/zinc/23/56/92/485235692.db2.gz KMFUOYAJYSMBCN-VQTJNVASSA-N 1 3 362.518 -0.397 20 0 FBADHO CN1CCN(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000566915633 485235666 /nfs/dbraw/zinc/23/56/66/485235666.db2.gz KMFUOYAJYSMBCN-WOJBJXKFSA-N 1 3 362.518 -0.397 20 0 FBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)([NH+](C)C)C1 ZINC000567097017 485241908 /nfs/dbraw/zinc/24/19/08/485241908.db2.gz MIMJBQSJEMAUQL-IIDMSEBBSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)([NH+](C)C)C1 ZINC000567097018 485242054 /nfs/dbraw/zinc/24/20/54/485242054.db2.gz MIMJBQSJEMAUQL-RKVPGOIHSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)([NH+](C)C)C1 ZINC000567097019 485241926 /nfs/dbraw/zinc/24/19/26/485241926.db2.gz MIMJBQSJEMAUQL-RVKKMQEKSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)([NH+](C)C)C1 ZINC000567097020 485242078 /nfs/dbraw/zinc/24/20/78/485242078.db2.gz MIMJBQSJEMAUQL-VKJFTORMSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000567104353 485241241 /nfs/dbraw/zinc/24/12/41/485241241.db2.gz LOECQJPUOXANKX-JFIYKMOQSA-N 1 3 370.538 -0.011 20 0 FBADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000567104355 485241196 /nfs/dbraw/zinc/24/11/96/485241196.db2.gz LOECQJPUOXANKX-JZXOWHBKSA-N 1 3 370.538 -0.011 20 0 FBADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000567104356 485241706 /nfs/dbraw/zinc/24/17/06/485241706.db2.gz LOECQJPUOXANKX-NUJGCVRESA-N 1 3 370.538 -0.011 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000567104357 485242027 /nfs/dbraw/zinc/24/20/27/485242027.db2.gz LOECQJPUOXANKX-SOLBZPMBSA-N 1 3 370.538 -0.011 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000567151061 485242986 /nfs/dbraw/zinc/24/29/86/485242986.db2.gz LCRHZNSKIKKBHY-UHFFFAOYSA-N 1 3 361.446 -0.145 20 0 FBADHO CC(=O)N1CCC(NC(=O)CN(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000567224966 485245641 /nfs/dbraw/zinc/24/56/41/485245641.db2.gz KTNMFVBGZPKVGR-UHFFFAOYSA-N 1 3 355.527 -0.071 20 0 FBADHO CN(CCC[NH3+])C(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000567250567 485246346 /nfs/dbraw/zinc/24/63/46/485246346.db2.gz OXFFHRSQWDWRQQ-UHFFFAOYSA-N 1 3 362.478 -0.483 20 0 FBADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C(=O)NC1CNC1 ZINC000567337962 485250050 /nfs/dbraw/zinc/25/00/50/485250050.db2.gz QBIVVTRMWMNDMR-UHFFFAOYSA-N 1 3 365.522 -0.271 20 0 FBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000567344006 485250064 /nfs/dbraw/zinc/25/00/64/485250064.db2.gz PJWFJWRMMAAOMP-INIZCTEOSA-N 1 3 365.522 -0.175 20 0 FBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000567344007 485249590 /nfs/dbraw/zinc/24/95/90/485249590.db2.gz PJWFJWRMMAAOMP-MRXNPFEDSA-N 1 3 365.522 -0.175 20 0 FBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000567363785 485250783 /nfs/dbraw/zinc/25/07/83/485250783.db2.gz UYJONEXTNINJNR-GOSISDBHSA-N 1 3 370.538 -0.198 20 0 FBADHO COCC[N@H+](C)C[C@@H](O)CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000567363785 485250779 /nfs/dbraw/zinc/25/07/79/485250779.db2.gz UYJONEXTNINJNR-GOSISDBHSA-N 1 3 370.538 -0.198 20 0 FBADHO COCC[N@@H+](C)C[C@H](O)CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000567363786 485251192 /nfs/dbraw/zinc/25/11/92/485251192.db2.gz UYJONEXTNINJNR-SFHVURJKSA-N 1 3 370.538 -0.198 20 0 FBADHO COCC[N@H+](C)C[C@H](O)CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000567363786 485251187 /nfs/dbraw/zinc/25/11/87/485251187.db2.gz UYJONEXTNINJNR-SFHVURJKSA-N 1 3 370.538 -0.198 20 0 FBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000567881358 485271379 /nfs/dbraw/zinc/27/13/79/485271379.db2.gz WYDCXENRBXKTLB-CABCVRRESA-N 1 3 369.510 -0.859 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000567881359 485271350 /nfs/dbraw/zinc/27/13/50/485271350.db2.gz WYDCXENRBXKTLB-GJZGRUSLSA-N 1 3 369.510 -0.859 20 0 FBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000567881360 485270694 /nfs/dbraw/zinc/27/06/94/485270694.db2.gz WYDCXENRBXKTLB-HUUCEWRRSA-N 1 3 369.510 -0.859 20 0 FBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000567881361 485271050 /nfs/dbraw/zinc/27/10/50/485271050.db2.gz WYDCXENRBXKTLB-LSDHHAIUSA-N 1 3 369.510 -0.859 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567889918 485272001 /nfs/dbraw/zinc/27/20/01/485272001.db2.gz JWZOORKILNBBBU-KRWDZBQOSA-N 1 3 367.538 -0.214 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567889919 485271805 /nfs/dbraw/zinc/27/18/05/485271805.db2.gz JWZOORKILNBBBU-QGZVFWFLSA-N 1 3 367.538 -0.214 20 0 FBADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000567895704 485272026 /nfs/dbraw/zinc/27/20/26/485272026.db2.gz UTQGSMFCZVSMHN-XKQJLSEDSA-N 1 3 352.479 -0.106 20 0 FBADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000567895705 485272092 /nfs/dbraw/zinc/27/20/92/485272092.db2.gz UTQGSMFCZVSMHN-XYPHTWIQSA-N 1 3 352.479 -0.106 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567907162 485272225 /nfs/dbraw/zinc/27/22/25/485272225.db2.gz GZUPYLBFXDGVEH-DZKIICNBSA-N 1 3 367.494 -0.807 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567907163 485271751 /nfs/dbraw/zinc/27/17/51/485271751.db2.gz GZUPYLBFXDGVEH-FMKPAKJESA-N 1 3 367.494 -0.807 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567907164 485272161 /nfs/dbraw/zinc/27/21/61/485272161.db2.gz GZUPYLBFXDGVEH-LZWOXQAQSA-N 1 3 367.494 -0.807 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567907165 485272286 /nfs/dbraw/zinc/27/22/86/485272286.db2.gz GZUPYLBFXDGVEH-YCPHGPKFSA-N 1 3 367.494 -0.807 20 0 FBADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990337 485274820 /nfs/dbraw/zinc/27/48/20/485274820.db2.gz VKLZSKKJNVHLQL-MSOLQXFVSA-N 1 3 367.538 -0.561 20 0 FBADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990338 485275538 /nfs/dbraw/zinc/27/55/38/485275538.db2.gz VKLZSKKJNVHLQL-QZTJIDSGSA-N 1 3 367.538 -0.561 20 0 FBADHO CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990339 485275207 /nfs/dbraw/zinc/27/52/07/485275207.db2.gz VKLZSKKJNVHLQL-ROUUACIJSA-N 1 3 367.538 -0.561 20 0 FBADHO CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000567990340 485275286 /nfs/dbraw/zinc/27/52/86/485275286.db2.gz VKLZSKKJNVHLQL-ZWKOTPCHSA-N 1 3 367.538 -0.561 20 0 FBADHO C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000568190640 485285170 /nfs/dbraw/zinc/28/51/70/485285170.db2.gz LDWOHPSJXLWHSE-UHFFFAOYSA-N 1 3 362.478 -0.175 20 0 FBADHO CCN(CCO)CCNC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000568288105 485291114 /nfs/dbraw/zinc/29/11/14/485291114.db2.gz VAPPSKOBDVUKNJ-UHFFFAOYSA-N 1 3 357.499 -0.410 20 0 FBADHO C[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000568292637 485291180 /nfs/dbraw/zinc/29/11/80/485291180.db2.gz SFDDMHYLKCKQJL-ILXRZTDVSA-N 1 3 365.478 -0.863 20 0 FBADHO C[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000568292638 485291232 /nfs/dbraw/zinc/29/12/32/485291232.db2.gz SFDDMHYLKCKQJL-KFWWJZLASA-N 1 3 365.478 -0.863 20 0 FBADHO C[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000568292639 485290815 /nfs/dbraw/zinc/29/08/15/485290815.db2.gz SFDDMHYLKCKQJL-QLFBSQMISA-N 1 3 365.478 -0.863 20 0 FBADHO C[C@H](CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000568292640 485290936 /nfs/dbraw/zinc/29/09/36/485290936.db2.gz SFDDMHYLKCKQJL-RBSFLKMASA-N 1 3 365.478 -0.863 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000568308279 485291796 /nfs/dbraw/zinc/29/17/96/485291796.db2.gz SZLUHDHOQAJNQW-AWEZNQCLSA-N 1 3 351.499 -0.104 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000568308280 485291606 /nfs/dbraw/zinc/29/16/06/485291606.db2.gz SZLUHDHOQAJNQW-CQSZACIVSA-N 1 3 351.499 -0.104 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000568311522 484088642 /nfs/dbraw/zinc/08/86/42/484088642.db2.gz QUFWSSWNPCJVMM-UHFFFAOYSA-N 1 3 350.467 0.110 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000568387152 485294072 /nfs/dbraw/zinc/29/40/72/485294072.db2.gz PJJPGBZIDORBNN-UHFFFAOYSA-N 1 3 351.455 -0.747 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCC1 ZINC000568491616 485297673 /nfs/dbraw/zinc/29/76/73/485297673.db2.gz RKBZBHGTWVJSNK-CABCVRRESA-N 1 3 364.490 -0.186 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000568548727 485301488 /nfs/dbraw/zinc/30/14/88/485301488.db2.gz FHRRCXGRKIKFBO-UHFFFAOYSA-N 1 3 361.446 -0.180 20 0 FBADHO COC[C@]1(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCC[NH2+]1 ZINC000568609831 485302250 /nfs/dbraw/zinc/30/22/50/485302250.db2.gz TUPFCBCCDMEWKY-CRAIPNDOSA-N 1 3 367.494 -0.297 20 0 FBADHO COC[C@]1(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCC[NH2+]1 ZINC000568609832 485302039 /nfs/dbraw/zinc/30/20/39/485302039.db2.gz TUPFCBCCDMEWKY-MAUKXSAKSA-N 1 3 367.494 -0.297 20 0 FBADHO COC[C@@]1(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCC[NH2+]1 ZINC000568609833 485302486 /nfs/dbraw/zinc/30/24/86/485302486.db2.gz TUPFCBCCDMEWKY-QAPCUYQASA-N 1 3 367.494 -0.297 20 0 FBADHO COC[C@@]1(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCC[NH2+]1 ZINC000568609834 485302070 /nfs/dbraw/zinc/30/20/70/485302070.db2.gz TUPFCBCCDMEWKY-YJBOKZPZSA-N 1 3 367.494 -0.297 20 0 FBADHO CCOC(=O)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000568724128 485305754 /nfs/dbraw/zinc/30/57/54/485305754.db2.gz RFHDRGFJZDZVAH-UHFFFAOYSA-N 1 3 370.494 -0.260 20 0 FBADHO CCN1CCN(CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000568752132 485306955 /nfs/dbraw/zinc/30/69/55/485306955.db2.gz BOWAVKZIVZBUDT-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO CCN1CCN(CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000568752133 485307285 /nfs/dbraw/zinc/30/72/85/485307285.db2.gz BOWAVKZIVZBUDT-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO CN1CC[C@H]2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC000568890763 485312407 /nfs/dbraw/zinc/31/24/07/485312407.db2.gz IBVNHKYXHMGBKL-DOTOQJQBSA-N 1 3 365.522 -0.319 20 0 FBADHO CN1CC[C@@H]2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC000568890764 485312246 /nfs/dbraw/zinc/31/22/46/485312246.db2.gz IBVNHKYXHMGBKL-NVXWUHKLSA-N 1 3 365.522 -0.319 20 0 FBADHO CN1CC[C@H]2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)[C@H]2C1 ZINC000568890765 485312150 /nfs/dbraw/zinc/31/21/50/485312150.db2.gz IBVNHKYXHMGBKL-RDJZCZTQSA-N 1 3 365.522 -0.319 20 0 FBADHO CN1CC[C@@H]2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)[C@H]2C1 ZINC000568890766 485312489 /nfs/dbraw/zinc/31/24/89/485312489.db2.gz IBVNHKYXHMGBKL-WBVHZDCISA-N 1 3 365.522 -0.319 20 0 FBADHO CN1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)CC1 ZINC000569029749 485316643 /nfs/dbraw/zinc/31/66/43/485316643.db2.gz CQZNLYDERKOWLI-GOSISDBHSA-N 1 3 362.522 -0.469 20 0 FBADHO CN1CCN(C[C@@H](O)C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)CC1 ZINC000569029755 485316687 /nfs/dbraw/zinc/31/66/87/485316687.db2.gz CQZNLYDERKOWLI-SFHVURJKSA-N 1 3 362.522 -0.469 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000569172277 485320433 /nfs/dbraw/zinc/32/04/33/485320433.db2.gz JDFMKGPODFHHTA-INIZCTEOSA-N 1 3 351.495 -0.068 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000569172277 485320429 /nfs/dbraw/zinc/32/04/29/485320429.db2.gz JDFMKGPODFHHTA-INIZCTEOSA-N 1 3 351.495 -0.068 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000569172278 485320395 /nfs/dbraw/zinc/32/03/95/485320395.db2.gz JDFMKGPODFHHTA-MRXNPFEDSA-N 1 3 351.495 -0.068 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)c(=O)n(C)c1=O ZINC000569172278 485320391 /nfs/dbraw/zinc/32/03/91/485320391.db2.gz JDFMKGPODFHHTA-MRXNPFEDSA-N 1 3 351.495 -0.068 20 0 FBADHO COC(=O)[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000569197754 485320676 /nfs/dbraw/zinc/32/06/76/485320676.db2.gz NFFUMXLIGKZWKG-AWEZNQCLSA-N 1 3 356.467 -0.650 20 0 FBADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000569239454 485321579 /nfs/dbraw/zinc/32/15/79/485321579.db2.gz XDIOSUWURXDJFG-CVEARBPZSA-N 1 3 373.457 -0.500 20 0 FBADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000569239456 485321227 /nfs/dbraw/zinc/32/12/27/485321227.db2.gz XDIOSUWURXDJFG-HOTGVXAUSA-N 1 3 373.457 -0.500 20 0 FBADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000569239457 485321244 /nfs/dbraw/zinc/32/12/44/485321244.db2.gz XDIOSUWURXDJFG-HZPDHXFCSA-N 1 3 373.457 -0.500 20 0 FBADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000569239458 485321607 /nfs/dbraw/zinc/32/16/07/485321607.db2.gz XDIOSUWURXDJFG-JKSUJKDBSA-N 1 3 373.457 -0.500 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000569324110 485324922 /nfs/dbraw/zinc/32/49/22/485324922.db2.gz JQQSEDJVZCQVRO-UHFFFAOYSA-N 1 3 369.510 -0.497 20 0 FBADHO C[C@@H](NC(=O)c1cn(CCCC[NH3+])nn1)C(=O)NCCN1CCCCC1 ZINC000569338139 483704399 /nfs/dbraw/zinc/70/43/99/483704399.db2.gz CIGWAQCJRVCLEK-CQSZACIVSA-N 1 3 365.482 -0.263 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC000569434097 483787624 /nfs/dbraw/zinc/78/76/24/483787624.db2.gz BEKYABBVSJLDNT-UHFFFAOYSA-N 1 3 363.453 -0.653 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000569454198 483788690 /nfs/dbraw/zinc/78/86/90/483788690.db2.gz FNZUMRJVWIOEKA-UHFFFAOYSA-N 1 3 367.494 -0.791 20 0 FBADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000569595449 483827120 /nfs/dbraw/zinc/82/71/20/483827120.db2.gz QJOCRKORCBUMGQ-GOSISDBHSA-N 1 3 364.490 -0.239 20 0 FBADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000569595450 483827103 /nfs/dbraw/zinc/82/71/03/483827103.db2.gz QJOCRKORCBUMGQ-SFHVURJKSA-N 1 3 364.490 -0.239 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569633275 483943747 /nfs/dbraw/zinc/94/37/47/483943747.db2.gz VZOGILOEWXTABX-CVEARBPZSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569633275 483943740 /nfs/dbraw/zinc/94/37/40/483943740.db2.gz VZOGILOEWXTABX-CVEARBPZSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569633276 483944398 /nfs/dbraw/zinc/94/43/98/483944398.db2.gz VZOGILOEWXTABX-HOTGVXAUSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569633276 483944392 /nfs/dbraw/zinc/94/43/92/483944392.db2.gz VZOGILOEWXTABX-HOTGVXAUSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569633278 483943560 /nfs/dbraw/zinc/94/35/60/483943560.db2.gz VZOGILOEWXTABX-HZPDHXFCSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569633278 483943553 /nfs/dbraw/zinc/94/35/53/483943553.db2.gz VZOGILOEWXTABX-HZPDHXFCSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569633280 483944662 /nfs/dbraw/zinc/94/46/62/483944662.db2.gz VZOGILOEWXTABX-JKSUJKDBSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569633280 483944657 /nfs/dbraw/zinc/94/46/57/483944657.db2.gz VZOGILOEWXTABX-JKSUJKDBSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000569652381 484089038 /nfs/dbraw/zinc/08/90/38/484089038.db2.gz BJQXIAUMJITVCK-UHFFFAOYSA-N 1 3 350.467 0.188 20 0 FBADHO C[C@H](CNC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000569795814 484140879 /nfs/dbraw/zinc/14/08/79/484140879.db2.gz REUWXQWSKUYVTN-BRWVUGGUSA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](CNC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000569795815 484141911 /nfs/dbraw/zinc/14/19/11/484141911.db2.gz REUWXQWSKUYVTN-IKGGRYGDSA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](CNC(=O)N1C[C@H](C)N(CCO)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000569795816 484141482 /nfs/dbraw/zinc/14/14/82/484141482.db2.gz REUWXQWSKUYVTN-IXDOHACOSA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](CNC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000569795817 484141215 /nfs/dbraw/zinc/14/12/15/484141215.db2.gz REUWXQWSKUYVTN-ZACQAIPSSA-N 1 3 355.527 -0.034 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822546 484143329 /nfs/dbraw/zinc/14/33/29/484143329.db2.gz ZGJPXXKAIPDAEK-CHWSQXEVSA-N 1 3 359.421 -0.068 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822549 484143944 /nfs/dbraw/zinc/14/39/44/484143944.db2.gz ZGJPXXKAIPDAEK-OLZOCXBDSA-N 1 3 359.421 -0.068 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822551 484143833 /nfs/dbraw/zinc/14/38/33/484143833.db2.gz ZGJPXXKAIPDAEK-QWHCGFSZSA-N 1 3 359.421 -0.068 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000569822552 484143445 /nfs/dbraw/zinc/14/34/45/484143445.db2.gz ZGJPXXKAIPDAEK-STQMWFEESA-N 1 3 359.421 -0.068 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000569894239 484147616 /nfs/dbraw/zinc/14/76/16/484147616.db2.gz QWOHCEPQIUFDBC-UHFFFAOYSA-N 1 3 371.507 -0.031 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000569918778 484149550 /nfs/dbraw/zinc/14/95/50/484149550.db2.gz RETBTEPLBKQUMU-UHFFFAOYSA-N 1 3 355.527 -0.073 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000569949407 484151357 /nfs/dbraw/zinc/15/13/57/484151357.db2.gz OMBBBOWBCNOPFN-UHFFFAOYSA-N 1 3 359.474 -0.472 20 0 FBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000569989825 484155851 /nfs/dbraw/zinc/15/58/51/484155851.db2.gz XWIQUKNZDMWULA-INIZCTEOSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000569989826 484155191 /nfs/dbraw/zinc/15/51/91/484155191.db2.gz XWIQUKNZDMWULA-MRXNPFEDSA-N 1 3 353.511 -0.366 20 0 FBADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000570043144 484160325 /nfs/dbraw/zinc/16/03/25/484160325.db2.gz RMNUFZLJTUZRTA-CABCVRRESA-N 1 3 350.467 -0.147 20 0 FBADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000570043147 484159988 /nfs/dbraw/zinc/15/99/88/484159988.db2.gz RMNUFZLJTUZRTA-GJZGRUSLSA-N 1 3 350.467 -0.147 20 0 FBADHO CC1CCN(C[C@H](O)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000570043149 484159523 /nfs/dbraw/zinc/15/95/23/484159523.db2.gz RMNUFZLJTUZRTA-HUUCEWRRSA-N 1 3 350.467 -0.147 20 0 FBADHO CC1CCN(C[C@H](O)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000570043150 484159445 /nfs/dbraw/zinc/15/94/45/484159445.db2.gz RMNUFZLJTUZRTA-LSDHHAIUSA-N 1 3 350.467 -0.147 20 0 FBADHO CC(C)C(=O)N1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000570054787 484160228 /nfs/dbraw/zinc/16/02/28/484160228.db2.gz NOIMTKFNAHZMML-UHFFFAOYSA-N 1 3 369.510 -0.735 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000570142239 484166234 /nfs/dbraw/zinc/16/62/34/484166234.db2.gz FMECZDFCWUBZIW-GOSISDBHSA-N 1 3 367.494 -0.933 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000570142244 484165707 /nfs/dbraw/zinc/16/57/07/484165707.db2.gz FMECZDFCWUBZIW-SFHVURJKSA-N 1 3 367.494 -0.933 20 0 FBADHO COc1cccnc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570153571 484168296 /nfs/dbraw/zinc/16/82/96/484168296.db2.gz PTWKUADZXKCCQT-UHFFFAOYSA-N 1 3 351.451 -0.342 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000570178236 484169892 /nfs/dbraw/zinc/16/98/92/484169892.db2.gz ZCEAAXXONPBEML-UHFFFAOYSA-N 1 3 369.510 -0.449 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNS(C)(=O)=O)CC2)CC1 ZINC000570185196 484169685 /nfs/dbraw/zinc/16/96/85/484169685.db2.gz FCDSKKOTSDNNDX-UHFFFAOYSA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])ccn1 ZINC000570188120 484169938 /nfs/dbraw/zinc/16/99/38/484169938.db2.gz ZHUXYZVUSPKESS-HNNXBMFYSA-N 1 3 350.467 -0.194 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])ccn1 ZINC000570188121 484170000 /nfs/dbraw/zinc/17/00/00/484170000.db2.gz ZHUXYZVUSPKESS-OAHLLOKOSA-N 1 3 350.467 -0.194 20 0 FBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000570416853 484191923 /nfs/dbraw/zinc/19/19/23/484191923.db2.gz ODMIPDAZYQXBAI-HNNXBMFYSA-N 1 3 367.494 -0.839 20 0 FBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000570416856 484192305 /nfs/dbraw/zinc/19/23/05/484192305.db2.gz ODMIPDAZYQXBAI-OAHLLOKOSA-N 1 3 367.494 -0.839 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000570501482 484200969 /nfs/dbraw/zinc/20/09/69/484200969.db2.gz JJKQCJPGUGGYJY-HNNXBMFYSA-N 1 3 354.499 -0.914 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000570501483 484200992 /nfs/dbraw/zinc/20/09/92/484200992.db2.gz JJKQCJPGUGGYJY-OAHLLOKOSA-N 1 3 354.499 -0.914 20 0 FBADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000570583986 484210346 /nfs/dbraw/zinc/21/03/46/484210346.db2.gz PMADIOUKBPPGAB-CVEARBPZSA-N 1 3 373.457 -0.865 20 0 FBADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000570583987 484210221 /nfs/dbraw/zinc/21/02/21/484210221.db2.gz PMADIOUKBPPGAB-HOTGVXAUSA-N 1 3 373.457 -0.865 20 0 FBADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000570583988 484211090 /nfs/dbraw/zinc/21/10/90/484211090.db2.gz PMADIOUKBPPGAB-HZPDHXFCSA-N 1 3 373.457 -0.865 20 0 FBADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000570583989 484210916 /nfs/dbraw/zinc/21/09/16/484210916.db2.gz PMADIOUKBPPGAB-JKSUJKDBSA-N 1 3 373.457 -0.865 20 0 FBADHO CC(=O)N[C@H]1CCCN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)C1 ZINC000570601807 484214420 /nfs/dbraw/zinc/21/44/20/484214420.db2.gz ZXDUKFGAOCHWPC-KRWDZBQOSA-N 1 3 355.527 -0.071 20 0 FBADHO CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)C1 ZINC000570601808 484213741 /nfs/dbraw/zinc/21/37/41/484213741.db2.gz ZXDUKFGAOCHWPC-QGZVFWFLSA-N 1 3 355.527 -0.071 20 0 FBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000570625995 484217513 /nfs/dbraw/zinc/21/75/13/484217513.db2.gz UPSNOYCKMPXIFX-QBPKDAKJSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000570625995 484217506 /nfs/dbraw/zinc/21/75/06/484217506.db2.gz UPSNOYCKMPXIFX-QBPKDAKJSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000570625995 484217501 /nfs/dbraw/zinc/21/75/01/484217501.db2.gz UPSNOYCKMPXIFX-QBPKDAKJSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625996 484216622 /nfs/dbraw/zinc/21/66/22/484216622.db2.gz UPSNOYCKMPXIFX-VVLHAWIVSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625996 484216619 /nfs/dbraw/zinc/21/66/19/484216619.db2.gz UPSNOYCKMPXIFX-VVLHAWIVSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625996 484216615 /nfs/dbraw/zinc/21/66/15/484216615.db2.gz UPSNOYCKMPXIFX-VVLHAWIVSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000570625997 484216871 /nfs/dbraw/zinc/21/68/71/484216871.db2.gz UPSNOYCKMPXIFX-WCXIOVBPSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000570625997 484216870 /nfs/dbraw/zinc/21/68/70/484216870.db2.gz UPSNOYCKMPXIFX-WCXIOVBPSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000570625997 484216865 /nfs/dbraw/zinc/21/68/65/484216865.db2.gz UPSNOYCKMPXIFX-WCXIOVBPSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625998 484216915 /nfs/dbraw/zinc/21/69/15/484216915.db2.gz UPSNOYCKMPXIFX-YYIAUSFCSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625998 484216912 /nfs/dbraw/zinc/21/69/12/484216912.db2.gz UPSNOYCKMPXIFX-YYIAUSFCSA-N 1 3 356.511 -0.367 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000570625998 484216893 /nfs/dbraw/zinc/21/68/93/484216893.db2.gz UPSNOYCKMPXIFX-YYIAUSFCSA-N 1 3 356.511 -0.367 20 0 FBADHO [NH3+]CCCCn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1 ZINC000570629770 484218148 /nfs/dbraw/zinc/21/81/48/484218148.db2.gz WGOWDAWPWIMYSM-UHFFFAOYSA-N 1 3 363.466 -0.603 20 0 FBADHO CN1CCN(CC2(C)CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000570644461 484220014 /nfs/dbraw/zinc/22/00/14/484220014.db2.gz CGVDNMUWQDCDOH-HNNXBMFYSA-N 1 3 351.495 -0.659 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000570646407 484219447 /nfs/dbraw/zinc/21/94/47/484219447.db2.gz VSOVZVOGDHOOAV-CABCVRRESA-N 1 3 367.494 -0.792 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000570646433 484220503 /nfs/dbraw/zinc/22/05/03/484220503.db2.gz VSOVZVOGDHOOAV-GJZGRUSLSA-N 1 3 367.494 -0.792 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000570646436 484219498 /nfs/dbraw/zinc/21/94/98/484219498.db2.gz VSOVZVOGDHOOAV-HUUCEWRRSA-N 1 3 367.494 -0.792 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000570646441 484220335 /nfs/dbraw/zinc/22/03/35/484220335.db2.gz VSOVZVOGDHOOAV-LSDHHAIUSA-N 1 3 367.494 -0.792 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000570818842 484246530 /nfs/dbraw/zinc/24/65/30/484246530.db2.gz GVNSXIKTZDUVRD-BZUAXINKSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000570818845 484246496 /nfs/dbraw/zinc/24/64/96/484246496.db2.gz GVNSXIKTZDUVRD-OAGGEKHMSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000570818847 484244856 /nfs/dbraw/zinc/24/48/56/484244856.db2.gz GVNSXIKTZDUVRD-OWCLPIDISA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000570818847 484244853 /nfs/dbraw/zinc/24/48/53/484244853.db2.gz GVNSXIKTZDUVRD-OWCLPIDISA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000570818848 484244973 /nfs/dbraw/zinc/24/49/73/484244973.db2.gz GVNSXIKTZDUVRD-XHSDSOJGSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000570818848 484244970 /nfs/dbraw/zinc/24/49/70/484244970.db2.gz GVNSXIKTZDUVRD-XHSDSOJGSA-N 1 3 353.511 -0.428 20 0 FBADHO CN1CCN(CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000570819139 484245722 /nfs/dbraw/zinc/24/57/22/484245722.db2.gz RHOISEGLWDLCTD-KRWDZBQOSA-N 1 3 359.474 -0.431 20 0 FBADHO CN1CCN(CCCNC(=O)C(=O)NC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000570819140 484246357 /nfs/dbraw/zinc/24/63/57/484246357.db2.gz RHOISEGLWDLCTD-QGZVFWFLSA-N 1 3 359.474 -0.431 20 0 FBADHO N[C@H]1C[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866956 484253071 /nfs/dbraw/zinc/25/30/71/484253071.db2.gz HKMUKLSCGRSQHD-MSOLQXFVSA-N 1 3 371.485 -0.031 20 0 FBADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866958 484252178 /nfs/dbraw/zinc/25/21/78/484252178.db2.gz HKMUKLSCGRSQHD-QZTJIDSGSA-N 1 3 371.485 -0.031 20 0 FBADHO N[C@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866960 484253301 /nfs/dbraw/zinc/25/33/01/484253301.db2.gz HKMUKLSCGRSQHD-ROUUACIJSA-N 1 3 371.485 -0.031 20 0 FBADHO N[C@@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000570866963 484252235 /nfs/dbraw/zinc/25/22/35/484252235.db2.gz HKMUKLSCGRSQHD-ZWKOTPCHSA-N 1 3 371.485 -0.031 20 0 FBADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000570943795 484294382 /nfs/dbraw/zinc/29/43/82/484294382.db2.gz BGQYTDMGQRLGRT-CABCVRRESA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000570943795 484294375 /nfs/dbraw/zinc/29/43/75/484294375.db2.gz BGQYTDMGQRLGRT-CABCVRRESA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000570943796 484294342 /nfs/dbraw/zinc/29/43/42/484294342.db2.gz BGQYTDMGQRLGRT-GJZGRUSLSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000570943796 484294332 /nfs/dbraw/zinc/29/43/32/484294332.db2.gz BGQYTDMGQRLGRT-GJZGRUSLSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000570943797 484292988 /nfs/dbraw/zinc/29/29/88/484292988.db2.gz BGQYTDMGQRLGRT-HUUCEWRRSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000570943797 484292982 /nfs/dbraw/zinc/29/29/82/484292982.db2.gz BGQYTDMGQRLGRT-HUUCEWRRSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000570943798 484293985 /nfs/dbraw/zinc/29/39/85/484293985.db2.gz BGQYTDMGQRLGRT-LSDHHAIUSA-N 1 3 353.511 -0.286 20 0 FBADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000570943798 484293977 /nfs/dbraw/zinc/29/39/77/484293977.db2.gz BGQYTDMGQRLGRT-LSDHHAIUSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000571031764 483923469 /nfs/dbraw/zinc/92/34/69/483923469.db2.gz YWFQRYOENNSLNC-UHFFFAOYSA-N 1 3 367.494 -0.743 20 0 FBADHO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000571275522 484209572 /nfs/dbraw/zinc/20/95/72/484209572.db2.gz FYPOARSADYOYGI-DLBZAZTESA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000571275523 484208715 /nfs/dbraw/zinc/20/87/15/484208715.db2.gz FYPOARSADYOYGI-IAGOWNOFSA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000571275524 484209558 /nfs/dbraw/zinc/20/95/58/484209558.db2.gz FYPOARSADYOYGI-IRXDYDNUSA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000571275525 484208698 /nfs/dbraw/zinc/20/86/98/484208698.db2.gz FYPOARSADYOYGI-SJORKVTESA-N 1 3 363.506 -0.421 20 0 FBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000571306995 484225538 /nfs/dbraw/zinc/22/55/38/484225538.db2.gz IORMWNYJCOXMQH-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000571306995 484225533 /nfs/dbraw/zinc/22/55/33/484225533.db2.gz IORMWNYJCOXMQH-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000571306997 484225874 /nfs/dbraw/zinc/22/58/74/484225874.db2.gz IORMWNYJCOXMQH-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000571306997 484225870 /nfs/dbraw/zinc/22/58/70/484225870.db2.gz IORMWNYJCOXMQH-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571388525 484247000 /nfs/dbraw/zinc/24/70/00/484247000.db2.gz LDOGCNMSECBCIZ-CVEARBPZSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571388525 484246992 /nfs/dbraw/zinc/24/69/92/484246992.db2.gz LDOGCNMSECBCIZ-CVEARBPZSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571388533 484247906 /nfs/dbraw/zinc/24/79/06/484247906.db2.gz LDOGCNMSECBCIZ-HOTGVXAUSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571388533 484247896 /nfs/dbraw/zinc/24/78/96/484247896.db2.gz LDOGCNMSECBCIZ-HOTGVXAUSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571388534 484248599 /nfs/dbraw/zinc/24/85/99/484248599.db2.gz LDOGCNMSECBCIZ-HZPDHXFCSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571388534 484248596 /nfs/dbraw/zinc/24/85/96/484248596.db2.gz LDOGCNMSECBCIZ-HZPDHXFCSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571388536 484247291 /nfs/dbraw/zinc/24/72/91/484247291.db2.gz LDOGCNMSECBCIZ-JKSUJKDBSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571388536 484247280 /nfs/dbraw/zinc/24/72/80/484247280.db2.gz LDOGCNMSECBCIZ-JKSUJKDBSA-N 1 3 353.511 -0.284 20 0 FBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000571468505 484257594 /nfs/dbraw/zinc/25/75/94/484257594.db2.gz WNWBOHGSAPEVIZ-HZPDHXFCSA-N 1 3 355.527 -0.167 20 0 FBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000571468506 484257629 /nfs/dbraw/zinc/25/76/29/484257629.db2.gz WNWBOHGSAPEVIZ-JKSUJKDBSA-N 1 3 355.527 -0.167 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000571501004 484264007 /nfs/dbraw/zinc/26/40/07/484264007.db2.gz ZUKZKVYDTFHVPC-HNNXBMFYSA-N 1 3 364.494 -0.312 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000571501005 484264440 /nfs/dbraw/zinc/26/44/40/484264440.db2.gz ZUKZKVYDTFHVPC-OAHLLOKOSA-N 1 3 364.494 -0.312 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H](CN)C1 ZINC000571633270 484297234 /nfs/dbraw/zinc/29/72/34/484297234.db2.gz ZOJVTUBSBTUUGC-INIZCTEOSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H](CN)C1 ZINC000571633274 484297796 /nfs/dbraw/zinc/29/77/96/484297796.db2.gz ZOJVTUBSBTUUGC-MRXNPFEDSA-N 1 3 351.495 -0.435 20 0 FBADHO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000571884765 484905460 /nfs/dbraw/zinc/90/54/60/484905460.db2.gz GGZDVSRTXQDUQG-OAHLLOKOSA-N 1 3 370.494 -0.260 20 0 FBADHO COC(=O)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000571978343 484910131 /nfs/dbraw/zinc/91/01/31/484910131.db2.gz YVSBVOJBVYDBII-UHFFFAOYSA-N 1 3 356.467 -0.650 20 0 FBADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000572017783 484912663 /nfs/dbraw/zinc/91/26/63/484912663.db2.gz NJJMDEXPKDEDGD-UHFFFAOYSA-N 1 3 355.483 -0.885 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000572111823 484918240 /nfs/dbraw/zinc/91/82/40/484918240.db2.gz XAFZOHOTUVPHBN-UHFFFAOYSA-N 1 3 367.538 -0.070 20 0 FBADHO C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000572117318 484918423 /nfs/dbraw/zinc/91/84/23/484918423.db2.gz BPXAYKOWBMQBQO-CABCVRRESA-N 1 3 367.494 -0.649 20 0 FBADHO C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000572117319 484918678 /nfs/dbraw/zinc/91/86/78/484918678.db2.gz BPXAYKOWBMQBQO-HUUCEWRRSA-N 1 3 367.494 -0.649 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000572121420 484918313 /nfs/dbraw/zinc/91/83/13/484918313.db2.gz UPCIYIHRBLUKJW-AWEZNQCLSA-N 1 3 358.512 -0.757 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000572121421 484918550 /nfs/dbraw/zinc/91/85/50/484918550.db2.gz UPCIYIHRBLUKJW-CQSZACIVSA-N 1 3 358.512 -0.757 20 0 FBADHO C[C@H]1CC2(CN1CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000572124364 484919493 /nfs/dbraw/zinc/91/94/93/484919493.db2.gz SMPHXEMCVDLCKL-INIZCTEOSA-N 1 3 365.522 -0.317 20 0 FBADHO C[C@@H]1CC2(CN1CC(=O)N1CCN(CC(=O)N(C)C)CC1)CC[NH2+]CC2 ZINC000572124365 484920218 /nfs/dbraw/zinc/92/02/18/484920218.db2.gz SMPHXEMCVDLCKL-MRXNPFEDSA-N 1 3 365.522 -0.317 20 0 FBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000572154196 484921595 /nfs/dbraw/zinc/92/15/95/484921595.db2.gz GZNDMNXUSGHVDO-CVEARBPZSA-N 1 3 351.495 -0.519 20 0 FBADHO CC(C)N1CCN([C@H]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000572154197 484920843 /nfs/dbraw/zinc/92/08/43/484920843.db2.gz GZNDMNXUSGHVDO-HOTGVXAUSA-N 1 3 351.495 -0.519 20 0 FBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000572154198 484921800 /nfs/dbraw/zinc/92/18/00/484921800.db2.gz GZNDMNXUSGHVDO-HZPDHXFCSA-N 1 3 351.495 -0.519 20 0 FBADHO CC(C)N1CCN([C@H]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000572154199 484921455 /nfs/dbraw/zinc/92/14/55/484921455.db2.gz GZNDMNXUSGHVDO-JKSUJKDBSA-N 1 3 351.495 -0.519 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000572157545 484921779 /nfs/dbraw/zinc/92/17/79/484921779.db2.gz ANAZNGAJUXHEIB-CVEARBPZSA-N 1 3 352.479 -0.309 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000572157546 484921978 /nfs/dbraw/zinc/92/19/78/484921978.db2.gz ANAZNGAJUXHEIB-HOTGVXAUSA-N 1 3 352.479 -0.309 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000572157547 484922007 /nfs/dbraw/zinc/92/20/07/484922007.db2.gz ANAZNGAJUXHEIB-HZPDHXFCSA-N 1 3 352.479 -0.309 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000572157548 484921254 /nfs/dbraw/zinc/92/12/54/484921254.db2.gz ANAZNGAJUXHEIB-JKSUJKDBSA-N 1 3 352.479 -0.309 20 0 FBADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000572159449 484920875 /nfs/dbraw/zinc/92/08/75/484920875.db2.gz MIMZNZBISLSNPY-BVUBDWEXSA-N 1 3 352.479 -0.073 20 0 FBADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000572159450 484921963 /nfs/dbraw/zinc/92/19/63/484921963.db2.gz MIMZNZBISLSNPY-HNKHHVNMSA-N 1 3 352.479 -0.073 20 0 FBADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000572159451 484921198 /nfs/dbraw/zinc/92/11/98/484921198.db2.gz MIMZNZBISLSNPY-MIGQKNRLSA-N 1 3 352.479 -0.073 20 0 FBADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000572159452 484921043 /nfs/dbraw/zinc/92/10/43/484921043.db2.gz MIMZNZBISLSNPY-XZDPQHSOSA-N 1 3 352.479 -0.073 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572234692 484925475 /nfs/dbraw/zinc/92/54/75/484925475.db2.gz ZFOKLPDQNORSET-IKGGRYGDSA-N 1 3 363.506 -0.422 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572234693 484925280 /nfs/dbraw/zinc/92/52/80/484925280.db2.gz ZFOKLPDQNORSET-ZACQAIPSSA-N 1 3 363.506 -0.422 20 0 FBADHO CN1CCN(C[C@H](O)C[NH2+]Cc2cccnc2N2CCN(C)CC2)CC1 ZINC000572274454 484928624 /nfs/dbraw/zinc/92/86/24/484928624.db2.gz BSEPTXHOTXFLQN-GOSISDBHSA-N 1 3 362.522 -0.469 20 0 FBADHO CN1CCN(C[C@@H](O)C[NH2+]Cc2cccnc2N2CCN(C)CC2)CC1 ZINC000572274455 484928767 /nfs/dbraw/zinc/92/87/67/484928767.db2.gz BSEPTXHOTXFLQN-SFHVURJKSA-N 1 3 362.522 -0.469 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000572329118 484935726 /nfs/dbraw/zinc/93/57/26/484935726.db2.gz ZWFZQDWFYCMCEN-UHFFFAOYSA-N 1 3 365.544 -0.161 20 0 FBADHO CSC1(CNc2nc(NCCO)nc(NC(C)C)n2)CC[NH+](C)CC1 ZINC000572330823 484935485 /nfs/dbraw/zinc/93/54/85/484935485.db2.gz NCDSAISWUSKDNY-UHFFFAOYSA-N 1 3 369.539 -0.399 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000572367894 484942746 /nfs/dbraw/zinc/94/27/46/484942746.db2.gz MKMVHQKSIBUDBW-AWEZNQCLSA-N 1 3 358.512 -0.675 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000572367895 484942757 /nfs/dbraw/zinc/94/27/57/484942757.db2.gz MKMVHQKSIBUDBW-CQSZACIVSA-N 1 3 358.512 -0.675 20 0 FBADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000572381868 484948961 /nfs/dbraw/zinc/94/89/61/484948961.db2.gz PFNRHAXYWDCSQD-UHFFFAOYSA-N 1 3 359.474 -0.207 20 0 FBADHO COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000572427992 484969860 /nfs/dbraw/zinc/96/98/60/484969860.db2.gz ITOLPKRNZKZSJZ-UHFFFAOYSA-N 1 3 368.438 -0.903 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000572513823 483997077 /nfs/dbraw/zinc/99/70/77/483997077.db2.gz PJIOJPBCEWPSNF-HNNXBMFYSA-N 1 3 365.482 -0.607 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000572513824 483997007 /nfs/dbraw/zinc/99/70/07/483997007.db2.gz PJIOJPBCEWPSNF-OAHLLOKOSA-N 1 3 365.482 -0.607 20 0 FBADHO NS(=O)(=O)c1ccc(NC(=O)C2CCN(CCOCC[NH3+])CC2)cc1 ZINC000572603020 485324449 /nfs/dbraw/zinc/32/44/49/485324449.db2.gz MUPHQMXEUAMJCV-UHFFFAOYSA-N 1 3 370.475 -0.040 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000572706058 485326038 /nfs/dbraw/zinc/32/60/38/485326038.db2.gz TXDNVBHHUDNCLK-MSOLQXFVSA-N 1 3 373.501 -0.132 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000572706059 485326759 /nfs/dbraw/zinc/32/67/59/485326759.db2.gz TXDNVBHHUDNCLK-QZTJIDSGSA-N 1 3 373.501 -0.132 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000572706060 485326694 /nfs/dbraw/zinc/32/66/94/485326694.db2.gz TXDNVBHHUDNCLK-ROUUACIJSA-N 1 3 373.501 -0.132 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000572706061 485326782 /nfs/dbraw/zinc/32/67/82/485326782.db2.gz TXDNVBHHUDNCLK-ZWKOTPCHSA-N 1 3 373.501 -0.132 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000572707733 485326111 /nfs/dbraw/zinc/32/61/11/485326111.db2.gz GDWNOXFONBLJJG-AWEZNQCLSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000572707733 485326106 /nfs/dbraw/zinc/32/61/06/485326106.db2.gz GDWNOXFONBLJJG-AWEZNQCLSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000572707734 485326305 /nfs/dbraw/zinc/32/63/05/485326305.db2.gz GDWNOXFONBLJJG-CQSZACIVSA-N 1 3 367.494 -0.757 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000572707734 485326302 /nfs/dbraw/zinc/32/63/02/485326302.db2.gz GDWNOXFONBLJJG-CQSZACIVSA-N 1 3 367.494 -0.757 20 0 FBADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000572712966 484068021 /nfs/dbraw/zinc/06/80/21/484068021.db2.gz TZUIUOFFZGARCA-UHFFFAOYSA-N 1 3 355.527 -0.214 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)CN1CCN(C)CC1 ZINC000572742411 485327290 /nfs/dbraw/zinc/32/72/90/485327290.db2.gz QSBOLTALEFTACU-INIZCTEOSA-N 1 3 367.538 -0.071 20 0 FBADHO C[C@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)CN1CCN(C)CC1 ZINC000572742412 485327654 /nfs/dbraw/zinc/32/76/54/485327654.db2.gz QSBOLTALEFTACU-MRXNPFEDSA-N 1 3 367.538 -0.071 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000572818988 485329096 /nfs/dbraw/zinc/32/90/96/485329096.db2.gz VIFMLNRZGZOJDN-AWEZNQCLSA-N 1 3 367.494 -0.744 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000572818989 485329667 /nfs/dbraw/zinc/32/96/67/485329667.db2.gz VIFMLNRZGZOJDN-CQSZACIVSA-N 1 3 367.494 -0.744 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CCCO)CC1 ZINC000572963273 485333816 /nfs/dbraw/zinc/33/38/16/485333816.db2.gz AYTQDVGQWZLTHP-UHFFFAOYSA-N 1 3 356.511 -0.051 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCN3CCNC(=O)C3)CC2)CC1 ZINC000573135792 483907198 /nfs/dbraw/zinc/90/71/98/483907198.db2.gz GMMAMCPDPFOJLR-UHFFFAOYSA-N 1 3 365.522 -0.269 20 0 FBADHO N[C@H]1C[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C1=O ZINC000573138839 483908369 /nfs/dbraw/zinc/90/83/69/483908369.db2.gz UBIMHQAEHJGICC-CABCVRRESA-N 1 3 350.463 -0.208 20 0 FBADHO N[C@H]1C[C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C1=O ZINC000573138840 483908683 /nfs/dbraw/zinc/90/86/83/483908683.db2.gz UBIMHQAEHJGICC-GJZGRUSLSA-N 1 3 350.463 -0.208 20 0 FBADHO N[C@@H]1C[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C1=O ZINC000573138841 483908522 /nfs/dbraw/zinc/90/85/22/483908522.db2.gz UBIMHQAEHJGICC-HUUCEWRRSA-N 1 3 350.463 -0.208 20 0 FBADHO N[C@@H]1C[C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CCN2C1=O ZINC000573138842 483908800 /nfs/dbraw/zinc/90/88/00/483908800.db2.gz UBIMHQAEHJGICC-LSDHHAIUSA-N 1 3 350.463 -0.208 20 0 FBADHO CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](CN)C1 ZINC000573190902 483910027 /nfs/dbraw/zinc/91/00/27/483910027.db2.gz DCHWFERIGGIIER-GOSISDBHSA-N 1 3 373.501 0.000 20 0 FBADHO CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](CN)C1 ZINC000573190903 483909623 /nfs/dbraw/zinc/90/96/23/483909623.db2.gz DCHWFERIGGIIER-SFHVURJKSA-N 1 3 373.501 0.000 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000573197686 483909276 /nfs/dbraw/zinc/90/92/76/483909276.db2.gz VGLFSWXYFGLKKY-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000573197687 483909342 /nfs/dbraw/zinc/90/93/42/483909342.db2.gz VGLFSWXYFGLKKY-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000573211742 483910638 /nfs/dbraw/zinc/91/06/38/483910638.db2.gz LPIPRQHIIRDATL-GOSISDBHSA-N 1 3 370.494 -0.654 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000573211743 483910444 /nfs/dbraw/zinc/91/04/44/483910444.db2.gz LPIPRQHIIRDATL-SFHVURJKSA-N 1 3 370.494 -0.654 20 0 FBADHO C[C@H]1CCN(C)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000573226764 483911090 /nfs/dbraw/zinc/91/10/90/483911090.db2.gz VRVLODBNVAPHHR-INIZCTEOSA-N 1 3 353.511 -0.317 20 0 FBADHO C[C@@H]1CCN(C)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000573226765 483910792 /nfs/dbraw/zinc/91/07/92/483910792.db2.gz VRVLODBNVAPHHR-MRXNPFEDSA-N 1 3 353.511 -0.317 20 0 FBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCN1C ZINC000573380163 483918261 /nfs/dbraw/zinc/91/82/61/483918261.db2.gz HGTBJBOCWMOWPU-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)CCC)CCN1C ZINC000573380163 483918256 /nfs/dbraw/zinc/91/82/56/483918256.db2.gz HGTBJBOCWMOWPU-INIZCTEOSA-N 1 3 355.527 -0.071 20 0 FBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCN1C ZINC000573380165 483917663 /nfs/dbraw/zinc/91/76/63/483917663.db2.gz HGTBJBOCWMOWPU-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCN1C ZINC000573380165 483917656 /nfs/dbraw/zinc/91/76/56/483917656.db2.gz HGTBJBOCWMOWPU-MRXNPFEDSA-N 1 3 355.527 -0.071 20 0 FBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000573562257 483927821 /nfs/dbraw/zinc/92/78/21/483927821.db2.gz URFLMFJJZTYUPK-UHFFFAOYSA-N 1 3 373.461 -0.152 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000573593273 483929289 /nfs/dbraw/zinc/92/92/89/483929289.db2.gz PEKFDXCBFFUIFT-CYBMUJFWSA-N 1 3 363.453 -0.606 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000573593274 483929398 /nfs/dbraw/zinc/92/93/98/483929398.db2.gz PEKFDXCBFFUIFT-ZDUSSCGKSA-N 1 3 363.453 -0.606 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000573662626 483932708 /nfs/dbraw/zinc/93/27/08/483932708.db2.gz REONNZCACYPTCP-CVEARBPZSA-N 1 3 354.495 -0.177 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000573662630 483933990 /nfs/dbraw/zinc/93/39/90/483933990.db2.gz REONNZCACYPTCP-HOTGVXAUSA-N 1 3 354.495 -0.177 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000573662632 483933286 /nfs/dbraw/zinc/93/32/86/483933286.db2.gz REONNZCACYPTCP-HZPDHXFCSA-N 1 3 354.495 -0.177 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000573662633 483933476 /nfs/dbraw/zinc/93/34/76/483933476.db2.gz REONNZCACYPTCP-JKSUJKDBSA-N 1 3 354.495 -0.177 20 0 FBADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000573675814 483935120 /nfs/dbraw/zinc/93/51/20/483935120.db2.gz NOKYQSSZZFWKMJ-INIZCTEOSA-N 1 3 353.511 -0.334 20 0 FBADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000573675814 483935110 /nfs/dbraw/zinc/93/51/10/483935110.db2.gz NOKYQSSZZFWKMJ-INIZCTEOSA-N 1 3 353.511 -0.334 20 0 FBADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000573675815 483935078 /nfs/dbraw/zinc/93/50/78/483935078.db2.gz NOKYQSSZZFWKMJ-MRXNPFEDSA-N 1 3 353.511 -0.334 20 0 FBADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000573675815 483935066 /nfs/dbraw/zinc/93/50/66/483935066.db2.gz NOKYQSSZZFWKMJ-MRXNPFEDSA-N 1 3 353.511 -0.334 20 0 FBADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000573823562 483941608 /nfs/dbraw/zinc/94/16/08/483941608.db2.gz FHKYNFWQIAKTQU-UHFFFAOYSA-N 1 3 373.501 -0.211 20 0 FBADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000573827402 483943064 /nfs/dbraw/zinc/94/30/64/483943064.db2.gz LLLHTOIXOYBADA-CVEARBPZSA-N 1 3 355.527 -0.086 20 0 FBADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000573827404 483943806 /nfs/dbraw/zinc/94/38/06/483943806.db2.gz LLLHTOIXOYBADA-HOTGVXAUSA-N 1 3 355.527 -0.086 20 0 FBADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000573827405 483943919 /nfs/dbraw/zinc/94/39/19/483943919.db2.gz LLLHTOIXOYBADA-HZPDHXFCSA-N 1 3 355.527 -0.086 20 0 FBADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000573827406 483943885 /nfs/dbraw/zinc/94/38/85/483943885.db2.gz LLLHTOIXOYBADA-JKSUJKDBSA-N 1 3 355.527 -0.086 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000573834207 483943671 /nfs/dbraw/zinc/94/36/71/483943671.db2.gz QJFFWLRGLBBANX-HRCADAONSA-N 1 3 360.462 -0.630 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000573834208 483943820 /nfs/dbraw/zinc/94/38/20/483943820.db2.gz QJFFWLRGLBBANX-OWCLPIDISA-N 1 3 360.462 -0.630 20 0 FBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000573993806 483952229 /nfs/dbraw/zinc/95/22/29/483952229.db2.gz QGVZFMUBMXWLLQ-UHFFFAOYSA-N 1 3 355.527 -0.023 20 0 FBADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000573993806 483952223 /nfs/dbraw/zinc/95/22/23/483952223.db2.gz QGVZFMUBMXWLLQ-UHFFFAOYSA-N 1 3 355.527 -0.023 20 0 FBADHO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574062650 483955083 /nfs/dbraw/zinc/95/50/83/483955083.db2.gz MNROAIGBGJMXRX-CYBMUJFWSA-N 1 3 352.483 -0.142 20 0 FBADHO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574062651 483954917 /nfs/dbraw/zinc/95/49/17/483954917.db2.gz MNROAIGBGJMXRX-ZDUSSCGKSA-N 1 3 352.483 -0.142 20 0 FBADHO CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000574343377 483968347 /nfs/dbraw/zinc/96/83/47/483968347.db2.gz CLLNNWZJHRGZGB-DLBZAZTESA-N 1 3 365.522 -0.317 20 0 FBADHO CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000574343378 483970104 /nfs/dbraw/zinc/97/01/04/483970104.db2.gz CLLNNWZJHRGZGB-IAGOWNOFSA-N 1 3 365.522 -0.317 20 0 FBADHO CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000574343379 483970413 /nfs/dbraw/zinc/97/04/13/483970413.db2.gz CLLNNWZJHRGZGB-IRXDYDNUSA-N 1 3 365.522 -0.317 20 0 FBADHO CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000574343380 483971045 /nfs/dbraw/zinc/97/10/45/483971045.db2.gz CLLNNWZJHRGZGB-SJORKVTESA-N 1 3 365.522 -0.317 20 0 FBADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCSC1 ZINC000574426193 483973977 /nfs/dbraw/zinc/97/39/77/483973977.db2.gz AUVUVOHAXMMOHZ-BBRMVZONSA-N 1 3 357.524 -0.080 20 0 FBADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCSC1 ZINC000574426199 483974782 /nfs/dbraw/zinc/97/47/82/483974782.db2.gz AUVUVOHAXMMOHZ-CJNGLKHVSA-N 1 3 357.524 -0.080 20 0 FBADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCSC1 ZINC000574426200 483974442 /nfs/dbraw/zinc/97/44/42/483974442.db2.gz AUVUVOHAXMMOHZ-CZUORRHYSA-N 1 3 357.524 -0.080 20 0 FBADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCSC1 ZINC000574426202 483974055 /nfs/dbraw/zinc/97/40/55/483974055.db2.gz AUVUVOHAXMMOHZ-XJKSGUPXSA-N 1 3 357.524 -0.080 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000574443300 483973661 /nfs/dbraw/zinc/97/36/61/483973661.db2.gz SKOLLSBARJSDNC-UHFFFAOYSA-N 1 3 353.511 -0.460 20 0 FBADHO COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000574501005 483977549 /nfs/dbraw/zinc/97/75/49/483977549.db2.gz WHRWNVSPMNYCOO-GOSISDBHSA-N 1 3 370.494 -0.260 20 0 FBADHO COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000574501006 483978084 /nfs/dbraw/zinc/97/80/84/483978084.db2.gz WHRWNVSPMNYCOO-SFHVURJKSA-N 1 3 370.494 -0.260 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000574545683 483980500 /nfs/dbraw/zinc/98/05/00/483980500.db2.gz SPJNGCCGLGRAHG-UHFFFAOYSA-N 1 3 361.446 -0.066 20 0 FBADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C2 ZINC000574545978 483979530 /nfs/dbraw/zinc/97/95/30/483979530.db2.gz HYQWXUDHYRKPIS-KRWWSPQJSA-N 1 3 367.494 -0.564 20 0 FBADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C2 ZINC000574545979 483980739 /nfs/dbraw/zinc/98/07/39/483980739.db2.gz HYQWXUDHYRKPIS-MUSFGAPCSA-N 1 3 367.494 -0.564 20 0 FBADHO CCC1(CO)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000574617498 483984689 /nfs/dbraw/zinc/98/46/89/483984689.db2.gz RKYIVOVYZYGHFY-UHFFFAOYSA-N 1 3 356.511 -0.051 20 0 FBADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)CC1 ZINC000574629923 483986621 /nfs/dbraw/zinc/98/66/21/483986621.db2.gz NSAQDVBCLZVEDW-UHFFFAOYSA-N 1 3 365.522 -0.175 20 0 FBADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000574668644 483987910 /nfs/dbraw/zinc/98/79/10/483987910.db2.gz YRHHRFDJOPDFQL-UHFFFAOYSA-N 1 3 359.474 -0.602 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000574704817 483990059 /nfs/dbraw/zinc/99/00/59/483990059.db2.gz RKYOXOMELFXROC-INIZCTEOSA-N 1 3 369.510 -0.003 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000574704822 483989944 /nfs/dbraw/zinc/98/99/44/483989944.db2.gz RKYOXOMELFXROC-MRXNPFEDSA-N 1 3 369.510 -0.003 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000574736907 483991727 /nfs/dbraw/zinc/99/17/27/483991727.db2.gz SYCMRPHFSZYHNT-DLBZAZTESA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000574736907 483991723 /nfs/dbraw/zinc/99/17/23/483991723.db2.gz SYCMRPHFSZYHNT-DLBZAZTESA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000574736910 483991827 /nfs/dbraw/zinc/99/18/27/483991827.db2.gz SYCMRPHFSZYHNT-IAGOWNOFSA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000574736910 483991821 /nfs/dbraw/zinc/99/18/21/483991821.db2.gz SYCMRPHFSZYHNT-IAGOWNOFSA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000574736912 483992008 /nfs/dbraw/zinc/99/20/08/483992008.db2.gz SYCMRPHFSZYHNT-IRXDYDNUSA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000574736912 483992004 /nfs/dbraw/zinc/99/20/04/483992004.db2.gz SYCMRPHFSZYHNT-IRXDYDNUSA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000574736913 483991318 /nfs/dbraw/zinc/99/13/18/483991318.db2.gz SYCMRPHFSZYHNT-SJORKVTESA-N 1 3 367.538 -0.119 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000574736913 483991315 /nfs/dbraw/zinc/99/13/15/483991315.db2.gz SYCMRPHFSZYHNT-SJORKVTESA-N 1 3 367.538 -0.119 20 0 FBADHO COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000574771698 483994121 /nfs/dbraw/zinc/99/41/21/483994121.db2.gz VJMOQBIKUUGATI-CABCVRRESA-N 1 3 353.467 -0.559 20 0 FBADHO COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000574771701 483994003 /nfs/dbraw/zinc/99/40/03/483994003.db2.gz VJMOQBIKUUGATI-GJZGRUSLSA-N 1 3 353.467 -0.559 20 0 FBADHO COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000574771703 483993080 /nfs/dbraw/zinc/99/30/80/483993080.db2.gz VJMOQBIKUUGATI-HUUCEWRRSA-N 1 3 353.467 -0.559 20 0 FBADHO COCCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000574771704 483992920 /nfs/dbraw/zinc/99/29/20/483992920.db2.gz VJMOQBIKUUGATI-LSDHHAIUSA-N 1 3 353.467 -0.559 20 0 FBADHO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000574821618 484088618 /nfs/dbraw/zinc/08/86/18/484088618.db2.gz HEYJDFAJSFSDCJ-UHFFFAOYSA-N 1 3 350.467 0.498 20 0 FBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574978034 484287917 /nfs/dbraw/zinc/28/79/17/484287917.db2.gz QSKFLNBTMYTAON-CABCVRRESA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574978034 484287912 /nfs/dbraw/zinc/28/79/12/484287912.db2.gz QSKFLNBTMYTAON-CABCVRRESA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574978035 484288533 /nfs/dbraw/zinc/28/85/33/484288533.db2.gz QSKFLNBTMYTAON-GJZGRUSLSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000574978035 484288525 /nfs/dbraw/zinc/28/85/25/484288525.db2.gz QSKFLNBTMYTAON-GJZGRUSLSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574978036 484287563 /nfs/dbraw/zinc/28/75/63/484287563.db2.gz QSKFLNBTMYTAON-HUUCEWRRSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574978036 484287556 /nfs/dbraw/zinc/28/75/56/484287556.db2.gz QSKFLNBTMYTAON-HUUCEWRRSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000574978037 484287873 /nfs/dbraw/zinc/28/78/73/484287873.db2.gz QSKFLNBTMYTAON-LSDHHAIUSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000574978037 484287864 /nfs/dbraw/zinc/28/78/64/484287864.db2.gz QSKFLNBTMYTAON-LSDHHAIUSA-N 1 3 367.494 -0.710 20 0 FBADHO CN1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@@H](CN)C1 ZINC000575028290 484290191 /nfs/dbraw/zinc/29/01/91/484290191.db2.gz BDEGBQLQNBDXAZ-KRWDZBQOSA-N 1 3 361.490 -0.492 20 0 FBADHO CN1CCN(C(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H](CN)C1 ZINC000575028291 484288940 /nfs/dbraw/zinc/28/89/40/484288940.db2.gz BDEGBQLQNBDXAZ-QGZVFWFLSA-N 1 3 361.490 -0.492 20 0 FBADHO C[C@H]1CN(CCC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000575109683 483932871 /nfs/dbraw/zinc/93/28/71/483932871.db2.gz HMFQMIRIWJXBKR-KBPBESRZSA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000575109684 483933051 /nfs/dbraw/zinc/93/30/51/483933051.db2.gz HMFQMIRIWJXBKR-OKILXGFUSA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000575109685 483933205 /nfs/dbraw/zinc/93/32/05/483933205.db2.gz HMFQMIRIWJXBKR-ZIAGYGMSSA-N 1 3 352.479 -0.188 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000575340347 484014129 /nfs/dbraw/zinc/01/41/29/484014129.db2.gz OSWGAMKWVXCIKT-LBPRGKRZSA-N 1 3 350.410 -0.222 20 0 FBADHO CN(C)CC(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)CN(C)C ZINC000575368204 484015849 /nfs/dbraw/zinc/01/58/49/484015849.db2.gz YJDDFCIBVAVKLA-UHFFFAOYSA-N 1 3 355.527 -0.118 20 0 FBADHO CN(C(=O)C(=O)NC1CNC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000575735085 484022554 /nfs/dbraw/zinc/02/25/54/484022554.db2.gz OYFVCROAMQOXSH-DLBZAZTESA-N 1 3 365.522 -0.130 20 0 FBADHO CN(C(=O)C(=O)NC1CNC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000575735085 484022550 /nfs/dbraw/zinc/02/25/50/484022550.db2.gz OYFVCROAMQOXSH-DLBZAZTESA-N 1 3 365.522 -0.130 20 0 FBADHO CN(C(=O)C(=O)NC1CNC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000575735086 484023395 /nfs/dbraw/zinc/02/33/95/484023395.db2.gz OYFVCROAMQOXSH-IAGOWNOFSA-N 1 3 365.522 -0.130 20 0 FBADHO CN(C(=O)C(=O)NC1CNC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000575735086 484023388 /nfs/dbraw/zinc/02/33/88/484023388.db2.gz OYFVCROAMQOXSH-IAGOWNOFSA-N 1 3 365.522 -0.130 20 0 FBADHO CN(C(=O)C(=O)NC1CNC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000575735087 484022806 /nfs/dbraw/zinc/02/28/06/484022806.db2.gz OYFVCROAMQOXSH-IRXDYDNUSA-N 1 3 365.522 -0.130 20 0 FBADHO CN(C(=O)C(=O)NC1CNC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000575735087 484022798 /nfs/dbraw/zinc/02/27/98/484022798.db2.gz OYFVCROAMQOXSH-IRXDYDNUSA-N 1 3 365.522 -0.130 20 0 FBADHO CN(C(=O)C(=O)NC1CNC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000575735088 484022461 /nfs/dbraw/zinc/02/24/61/484022461.db2.gz OYFVCROAMQOXSH-SJORKVTESA-N 1 3 365.522 -0.130 20 0 FBADHO CN(C(=O)C(=O)NC1CNC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000575735088 484022456 /nfs/dbraw/zinc/02/24/56/484022456.db2.gz OYFVCROAMQOXSH-SJORKVTESA-N 1 3 365.522 -0.130 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000575854473 484029950 /nfs/dbraw/zinc/02/99/50/484029950.db2.gz LHRPJVQRHVBKNK-INIZCTEOSA-N 1 3 353.511 -0.142 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](CN)C1 ZINC000575854473 484029942 /nfs/dbraw/zinc/02/99/42/484029942.db2.gz LHRPJVQRHVBKNK-INIZCTEOSA-N 1 3 353.511 -0.142 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000575854474 484030753 /nfs/dbraw/zinc/03/07/53/484030753.db2.gz LHRPJVQRHVBKNK-MRXNPFEDSA-N 1 3 353.511 -0.142 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](CN)C1 ZINC000575854474 484030748 /nfs/dbraw/zinc/03/07/48/484030748.db2.gz LHRPJVQRHVBKNK-MRXNPFEDSA-N 1 3 353.511 -0.142 20 0 FBADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000576004695 484039757 /nfs/dbraw/zinc/03/97/57/484039757.db2.gz SEAGEIKNBIKMMI-CABCVRRESA-N 1 3 365.478 -0.415 20 0 FBADHO N[C@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000576004696 484038681 /nfs/dbraw/zinc/03/86/81/484038681.db2.gz SEAGEIKNBIKMMI-GJZGRUSLSA-N 1 3 365.478 -0.415 20 0 FBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000576004697 484039398 /nfs/dbraw/zinc/03/93/98/484039398.db2.gz SEAGEIKNBIKMMI-HUUCEWRRSA-N 1 3 365.478 -0.415 20 0 FBADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CCN2C1=O ZINC000576004698 484038516 /nfs/dbraw/zinc/03/85/16/484038516.db2.gz SEAGEIKNBIKMMI-LSDHHAIUSA-N 1 3 365.478 -0.415 20 0 FBADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576015966 484038975 /nfs/dbraw/zinc/03/89/75/484038975.db2.gz OOOCWLXSIOFDCG-BPQIPLTHSA-N 1 3 373.501 -0.276 20 0 FBADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576015967 484038614 /nfs/dbraw/zinc/03/86/14/484038614.db2.gz OOOCWLXSIOFDCG-KBAYOESNSA-N 1 3 373.501 -0.276 20 0 FBADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576015968 484039103 /nfs/dbraw/zinc/03/91/03/484039103.db2.gz OOOCWLXSIOFDCG-NJAFHUGGSA-N 1 3 373.501 -0.276 20 0 FBADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576015969 484038918 /nfs/dbraw/zinc/03/89/18/484038918.db2.gz OOOCWLXSIOFDCG-NXHRZFHOSA-N 1 3 373.501 -0.276 20 0 FBADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576054307 484043087 /nfs/dbraw/zinc/04/30/87/484043087.db2.gz YQAMIPPEVYDWTI-CABCVRRESA-N 1 3 373.457 -0.234 20 0 FBADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576054308 484043171 /nfs/dbraw/zinc/04/31/71/484043171.db2.gz YQAMIPPEVYDWTI-GJZGRUSLSA-N 1 3 373.457 -0.234 20 0 FBADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576054309 484043307 /nfs/dbraw/zinc/04/33/07/484043307.db2.gz YQAMIPPEVYDWTI-HUUCEWRRSA-N 1 3 373.457 -0.234 20 0 FBADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576054310 484042856 /nfs/dbraw/zinc/04/28/56/484042856.db2.gz YQAMIPPEVYDWTI-LSDHHAIUSA-N 1 3 373.457 -0.234 20 0 FBADHO C[C@@H](CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000576121177 484044950 /nfs/dbraw/zinc/04/49/50/484044950.db2.gz BQQNQOPOMDQCLA-YESZJQIVSA-N 1 3 355.527 -0.034 20 0 FBADHO C[C@H](CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000576121178 484044109 /nfs/dbraw/zinc/04/41/09/484044109.db2.gz BQQNQOPOMDQCLA-ZACQAIPSSA-N 1 3 355.527 -0.034 20 0 FBADHO CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576253037 484051309 /nfs/dbraw/zinc/05/13/09/484051309.db2.gz RDDBYSKKSLPCFZ-CABCVRRESA-N 1 3 358.483 -0.752 20 0 FBADHO CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576253038 484051390 /nfs/dbraw/zinc/05/13/90/484051390.db2.gz RDDBYSKKSLPCFZ-GJZGRUSLSA-N 1 3 358.483 -0.752 20 0 FBADHO CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576253039 484051657 /nfs/dbraw/zinc/05/16/57/484051657.db2.gz RDDBYSKKSLPCFZ-HUUCEWRRSA-N 1 3 358.483 -0.752 20 0 FBADHO CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576253040 484051739 /nfs/dbraw/zinc/05/17/39/484051739.db2.gz RDDBYSKKSLPCFZ-LSDHHAIUSA-N 1 3 358.483 -0.752 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000576258251 484051282 /nfs/dbraw/zinc/05/12/82/484051282.db2.gz BVXGEIVWNPQFKB-AWEZNQCLSA-N 1 3 369.510 -0.498 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000576258252 484052111 /nfs/dbraw/zinc/05/21/11/484052111.db2.gz BVXGEIVWNPQFKB-CQSZACIVSA-N 1 3 369.510 -0.498 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000576260045 484051556 /nfs/dbraw/zinc/05/15/56/484051556.db2.gz SEIBJNIHFQMHML-CVEARBPZSA-N 1 3 354.495 -0.110 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000576260046 484053871 /nfs/dbraw/zinc/05/38/71/484053871.db2.gz SEIBJNIHFQMHML-HOTGVXAUSA-N 1 3 354.495 -0.110 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000576260047 484053082 /nfs/dbraw/zinc/05/30/82/484053082.db2.gz SEIBJNIHFQMHML-HZPDHXFCSA-N 1 3 354.495 -0.110 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000576260100 484052879 /nfs/dbraw/zinc/05/28/79/484052879.db2.gz SEIBJNIHFQMHML-JKSUJKDBSA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000576331578 484055578 /nfs/dbraw/zinc/05/55/78/484055578.db2.gz GCFMCHFKUAMLEM-KRWDZBQOSA-N 1 3 367.538 -0.038 20 0 FBADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000576331579 484055085 /nfs/dbraw/zinc/05/50/85/484055085.db2.gz GCFMCHFKUAMLEM-QGZVFWFLSA-N 1 3 367.538 -0.038 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCC(C)CC1 ZINC000576331694 484054619 /nfs/dbraw/zinc/05/46/19/484054619.db2.gz CNPMWGYPWIIQTJ-DLBZAZTESA-N 1 3 367.538 -0.040 20 0 FBADHO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCC(C)CC1 ZINC000576331695 484056054 /nfs/dbraw/zinc/05/60/54/484056054.db2.gz CNPMWGYPWIIQTJ-IAGOWNOFSA-N 1 3 367.538 -0.040 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCC(C)CC1 ZINC000576331696 484054632 /nfs/dbraw/zinc/05/46/32/484054632.db2.gz CNPMWGYPWIIQTJ-IRXDYDNUSA-N 1 3 367.538 -0.040 20 0 FBADHO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCC(C)CC1 ZINC000576331697 484055913 /nfs/dbraw/zinc/05/59/13/484055913.db2.gz CNPMWGYPWIIQTJ-SJORKVTESA-N 1 3 367.538 -0.040 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000576346572 484057613 /nfs/dbraw/zinc/05/76/13/484057613.db2.gz MOWMBCLCKGHPBX-FXUDXRNXSA-N 1 3 353.511 -0.287 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000576346578 484057459 /nfs/dbraw/zinc/05/74/59/484057459.db2.gz MOWMBCLCKGHPBX-UGUYLWEFSA-N 1 3 353.511 -0.287 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000576346580 484056595 /nfs/dbraw/zinc/05/65/95/484056595.db2.gz MOWMBCLCKGHPBX-VGWMRTNUSA-N 1 3 353.511 -0.287 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000576346582 484056523 /nfs/dbraw/zinc/05/65/23/484056523.db2.gz MOWMBCLCKGHPBX-YHUYYLMFSA-N 1 3 353.511 -0.287 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)NCC(=O)OC)CC2)CC1 ZINC000576594820 484068184 /nfs/dbraw/zinc/06/81/84/484068184.db2.gz CQYSSTSGKATSMO-UHFFFAOYSA-N 1 3 368.478 -0.412 20 0 FBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000576626904 484069088 /nfs/dbraw/zinc/06/90/88/484069088.db2.gz RONFOAXOOHILHK-BRWVUGGUSA-N 1 3 363.506 -0.422 20 0 FBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000576626905 484069260 /nfs/dbraw/zinc/06/92/60/484069260.db2.gz RONFOAXOOHILHK-IKGGRYGDSA-N 1 3 363.506 -0.422 20 0 FBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000576626906 484069395 /nfs/dbraw/zinc/06/93/95/484069395.db2.gz RONFOAXOOHILHK-IXDOHACOSA-N 1 3 363.506 -0.422 20 0 FBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000576626907 484069685 /nfs/dbraw/zinc/06/96/85/484069685.db2.gz RONFOAXOOHILHK-ZACQAIPSSA-N 1 3 363.506 -0.422 20 0 FBADHO CC(C)N1CCN([C@H]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000576701896 484074277 /nfs/dbraw/zinc/07/42/77/484074277.db2.gz MZKQTMFDRWQSTH-DLBZAZTESA-N 1 3 365.522 -0.128 20 0 FBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000576701903 484074542 /nfs/dbraw/zinc/07/45/42/484074542.db2.gz MZKQTMFDRWQSTH-IAGOWNOFSA-N 1 3 365.522 -0.128 20 0 FBADHO CC(C)N1CCN([C@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000576701993 484075219 /nfs/dbraw/zinc/07/52/19/484075219.db2.gz MZKQTMFDRWQSTH-IRXDYDNUSA-N 1 3 365.522 -0.128 20 0 FBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000576701994 484075170 /nfs/dbraw/zinc/07/51/70/484075170.db2.gz MZKQTMFDRWQSTH-SJORKVTESA-N 1 3 365.522 -0.128 20 0 FBADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000576732831 484076498 /nfs/dbraw/zinc/07/64/98/484076498.db2.gz QLZFVRKTUPFICW-CVEARBPZSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000576732831 484076488 /nfs/dbraw/zinc/07/64/88/484076488.db2.gz QLZFVRKTUPFICW-CVEARBPZSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000576732840 484075781 /nfs/dbraw/zinc/07/57/81/484075781.db2.gz QLZFVRKTUPFICW-HOTGVXAUSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000576732840 484075776 /nfs/dbraw/zinc/07/57/76/484075776.db2.gz QLZFVRKTUPFICW-HOTGVXAUSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000576732842 484077064 /nfs/dbraw/zinc/07/70/64/484077064.db2.gz QLZFVRKTUPFICW-HZPDHXFCSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000576732842 484077059 /nfs/dbraw/zinc/07/70/59/484077059.db2.gz QLZFVRKTUPFICW-HZPDHXFCSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000576732844 484076349 /nfs/dbraw/zinc/07/63/49/484076349.db2.gz QLZFVRKTUPFICW-JKSUJKDBSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000576732844 484076343 /nfs/dbraw/zinc/07/63/43/484076343.db2.gz QLZFVRKTUPFICW-JKSUJKDBSA-N 1 3 353.511 -0.286 20 0 FBADHO Cc1nc(Cn2nnc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2C)no1 ZINC000576800131 484079846 /nfs/dbraw/zinc/07/98/46/484079846.db2.gz OCBHRTNKMKTCEQ-UHFFFAOYSA-N 1 3 364.454 -0.108 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000576802631 484080424 /nfs/dbraw/zinc/08/04/24/484080424.db2.gz JHXCHAGLTUVSDR-KRWDZBQOSA-N 1 3 367.538 -0.118 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000576802632 484080339 /nfs/dbraw/zinc/08/03/39/484080339.db2.gz JHXCHAGLTUVSDR-QGZVFWFLSA-N 1 3 367.538 -0.118 20 0 FBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc(C(N)=O)c1 ZINC000576916617 484086094 /nfs/dbraw/zinc/08/60/94/484086094.db2.gz LYAGFXMSGCCKMM-UHFFFAOYSA-N 1 3 363.462 -0.016 20 0 FBADHO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000577048033 484094812 /nfs/dbraw/zinc/09/48/12/484094812.db2.gz QIDNTXVMSFBYDB-INIZCTEOSA-N 1 3 353.511 -0.284 20 0 FBADHO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000577048034 484094768 /nfs/dbraw/zinc/09/47/68/484094768.db2.gz QIDNTXVMSFBYDB-MRXNPFEDSA-N 1 3 353.511 -0.284 20 0 FBADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000577054377 484094075 /nfs/dbraw/zinc/09/40/75/484094075.db2.gz FWFKUOSZKILNFU-INIZCTEOSA-N 1 3 353.511 -0.332 20 0 FBADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000577054378 484094572 /nfs/dbraw/zinc/09/45/72/484094572.db2.gz FWFKUOSZKILNFU-MRXNPFEDSA-N 1 3 353.511 -0.332 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccn(CC(N)=O)n3)CC2)CC1 ZINC000577073114 484349313 /nfs/dbraw/zinc/34/93/13/484349313.db2.gz JLJDLHLIUFMEHF-UHFFFAOYSA-N 1 3 362.478 0.503 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@@H](CN)C1 ZINC000577095476 484098391 /nfs/dbraw/zinc/09/83/91/484098391.db2.gz UBKCEXXRNKFEBC-CVEARBPZSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@@H](CN)C1 ZINC000577095477 484098930 /nfs/dbraw/zinc/09/89/30/484098930.db2.gz UBKCEXXRNKFEBC-HOTGVXAUSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)[C@H](CN)C1 ZINC000577095478 484099242 /nfs/dbraw/zinc/09/92/42/484099242.db2.gz UBKCEXXRNKFEBC-HZPDHXFCSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)[C@H](CN)C1 ZINC000577095479 484098210 /nfs/dbraw/zinc/09/82/10/484098210.db2.gz UBKCEXXRNKFEBC-JKSUJKDBSA-N 1 3 351.495 -0.722 20 0 FBADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000577193047 484106897 /nfs/dbraw/zinc/10/68/97/484106897.db2.gz SPLVCIAGANEUDZ-DZGCQCFKSA-N 1 3 367.494 -0.171 20 0 FBADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000577193050 484106168 /nfs/dbraw/zinc/10/61/68/484106168.db2.gz SPLVCIAGANEUDZ-HIFRSBDPSA-N 1 3 367.494 -0.171 20 0 FBADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000577193051 484106605 /nfs/dbraw/zinc/10/66/05/484106605.db2.gz SPLVCIAGANEUDZ-UKRRQHHQSA-N 1 3 367.494 -0.171 20 0 FBADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000577193053 484106482 /nfs/dbraw/zinc/10/64/82/484106482.db2.gz SPLVCIAGANEUDZ-ZFWWWQNUSA-N 1 3 367.494 -0.171 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(C1)CCOCC2 ZINC000577266278 484109060 /nfs/dbraw/zinc/10/90/60/484109060.db2.gz QDSINYHDQNQFBB-UHFFFAOYSA-N 1 3 354.495 -0.033 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000577298444 484111635 /nfs/dbraw/zinc/11/16/35/484111635.db2.gz NYLFJROQCHKEID-UHFFFAOYSA-N 1 3 364.494 -0.284 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000577303894 484111413 /nfs/dbraw/zinc/11/14/13/484111413.db2.gz VDYOYCOQLVCRSU-UHFFFAOYSA-N 1 3 367.538 -0.070 20 0 FBADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000577356876 484114468 /nfs/dbraw/zinc/11/44/68/484114468.db2.gz ZXODXTMJRORWEQ-CVEARBPZSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000577356876 484114462 /nfs/dbraw/zinc/11/44/62/484114462.db2.gz ZXODXTMJRORWEQ-CVEARBPZSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000577356877 484114273 /nfs/dbraw/zinc/11/42/73/484114273.db2.gz ZXODXTMJRORWEQ-HOTGVXAUSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000577356877 484114269 /nfs/dbraw/zinc/11/42/69/484114269.db2.gz ZXODXTMJRORWEQ-HOTGVXAUSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000577356878 484114717 /nfs/dbraw/zinc/11/47/17/484114717.db2.gz ZXODXTMJRORWEQ-HZPDHXFCSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000577356878 484114713 /nfs/dbraw/zinc/11/47/13/484114713.db2.gz ZXODXTMJRORWEQ-HZPDHXFCSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000577356879 484114091 /nfs/dbraw/zinc/11/40/91/484114091.db2.gz ZXODXTMJRORWEQ-JKSUJKDBSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000577356879 484114084 /nfs/dbraw/zinc/11/40/84/484114084.db2.gz ZXODXTMJRORWEQ-JKSUJKDBSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO2 ZINC000577477639 484118281 /nfs/dbraw/zinc/11/82/81/484118281.db2.gz PGELYMQWPNOXRD-CRAIPNDOSA-N 1 3 370.494 -0.655 20 0 FBADHO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO2 ZINC000577477640 484118092 /nfs/dbraw/zinc/11/80/92/484118092.db2.gz PGELYMQWPNOXRD-MAUKXSAKSA-N 1 3 370.494 -0.655 20 0 FBADHO C[C@H]1OCC[C@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO2 ZINC000577477641 484116952 /nfs/dbraw/zinc/11/69/52/484116952.db2.gz PGELYMQWPNOXRD-QAPCUYQASA-N 1 3 370.494 -0.655 20 0 FBADHO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO2 ZINC000577477642 484117715 /nfs/dbraw/zinc/11/77/15/484117715.db2.gz PGELYMQWPNOXRD-YJBOKZPZSA-N 1 3 370.494 -0.655 20 0 FBADHO O[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)CN1CCOCC1 ZINC000577485003 484119346 /nfs/dbraw/zinc/11/93/46/484119346.db2.gz ORCHKVLYTYTFFE-IBGZPJMESA-N 1 3 363.506 -0.124 20 0 FBADHO O[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)CN1CCOCC1 ZINC000577485008 484119408 /nfs/dbraw/zinc/11/94/08/484119408.db2.gz ORCHKVLYTYTFFE-LJQANCHMSA-N 1 3 363.506 -0.124 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CN1CCN(C)CC1 ZINC000577755166 484131212 /nfs/dbraw/zinc/13/12/12/484131212.db2.gz ACPOMVDJDMSGEP-CVEARBPZSA-N 1 3 365.522 -0.247 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CN1CCN(C)CC1 ZINC000577755166 484131207 /nfs/dbraw/zinc/13/12/07/484131207.db2.gz ACPOMVDJDMSGEP-CVEARBPZSA-N 1 3 365.522 -0.247 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CN1CCN(C)CC1 ZINC000577755167 484130536 /nfs/dbraw/zinc/13/05/36/484130536.db2.gz ACPOMVDJDMSGEP-HOTGVXAUSA-N 1 3 365.522 -0.247 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CN1CCN(C)CC1 ZINC000577755167 484130528 /nfs/dbraw/zinc/13/05/28/484130528.db2.gz ACPOMVDJDMSGEP-HOTGVXAUSA-N 1 3 365.522 -0.247 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)CN1CCN(C)CC1 ZINC000577755168 484130430 /nfs/dbraw/zinc/13/04/30/484130430.db2.gz ACPOMVDJDMSGEP-HZPDHXFCSA-N 1 3 365.522 -0.247 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)CN1CCN(C)CC1 ZINC000577755168 484130426 /nfs/dbraw/zinc/13/04/26/484130426.db2.gz ACPOMVDJDMSGEP-HZPDHXFCSA-N 1 3 365.522 -0.247 20 0 FBADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000577755169 484130914 /nfs/dbraw/zinc/13/09/14/484130914.db2.gz ACPOMVDJDMSGEP-JKSUJKDBSA-N 1 3 365.522 -0.247 20 0 FBADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000577755169 484130907 /nfs/dbraw/zinc/13/09/07/484130907.db2.gz ACPOMVDJDMSGEP-JKSUJKDBSA-N 1 3 365.522 -0.247 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000577787902 484132772 /nfs/dbraw/zinc/13/27/72/484132772.db2.gz JSMUXDUTLLRNAN-UHFFFAOYSA-N 1 3 356.492 -0.083 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000577832934 484133900 /nfs/dbraw/zinc/13/39/00/484133900.db2.gz VEKCOKVPOQKTSO-DOTOQJQBSA-N 1 3 361.490 -0.276 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000577832935 484133874 /nfs/dbraw/zinc/13/38/74/484133874.db2.gz VEKCOKVPOQKTSO-NVXWUHKLSA-N 1 3 361.490 -0.276 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000577832936 484133845 /nfs/dbraw/zinc/13/38/45/484133845.db2.gz VEKCOKVPOQKTSO-RDJZCZTQSA-N 1 3 361.490 -0.276 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000577832937 484134224 /nfs/dbraw/zinc/13/42/24/484134224.db2.gz VEKCOKVPOQKTSO-WBVHZDCISA-N 1 3 361.490 -0.276 20 0 FBADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000577905471 484139777 /nfs/dbraw/zinc/13/97/77/484139777.db2.gz JEFHKZULZMNYGZ-DOTOQJQBSA-N 1 3 364.490 -0.090 20 0 FBADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000577905472 484139922 /nfs/dbraw/zinc/13/99/22/484139922.db2.gz JEFHKZULZMNYGZ-NVXWUHKLSA-N 1 3 364.490 -0.090 20 0 FBADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000577905473 484138983 /nfs/dbraw/zinc/13/89/83/484138983.db2.gz JEFHKZULZMNYGZ-RDJZCZTQSA-N 1 3 364.490 -0.090 20 0 FBADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000577905474 484140073 /nfs/dbraw/zinc/14/00/73/484140073.db2.gz JEFHKZULZMNYGZ-WBVHZDCISA-N 1 3 364.490 -0.090 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C[C@H]2N)cn1 ZINC000578005922 484152600 /nfs/dbraw/zinc/15/26/00/484152600.db2.gz CSRBTNDVQUCBRB-DAYGRLMNSA-N 1 3 360.462 -0.773 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)C[C@H]2N)cn1 ZINC000578005922 484152592 /nfs/dbraw/zinc/15/25/92/484152592.db2.gz CSRBTNDVQUCBRB-DAYGRLMNSA-N 1 3 360.462 -0.773 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)C[C@H]2N)cn1 ZINC000578005923 484153208 /nfs/dbraw/zinc/15/32/08/484153208.db2.gz CSRBTNDVQUCBRB-HDMKZQKVSA-N 1 3 360.462 -0.773 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)C[C@H]2N)cn1 ZINC000578005923 484153204 /nfs/dbraw/zinc/15/32/04/484153204.db2.gz CSRBTNDVQUCBRB-HDMKZQKVSA-N 1 3 360.462 -0.773 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000578005978 484152889 /nfs/dbraw/zinc/15/28/89/484152889.db2.gz JZICWAICCPKONR-FZKCQIBNSA-N 1 3 360.462 -0.584 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000578005978 484152881 /nfs/dbraw/zinc/15/28/81/484152881.db2.gz JZICWAICCPKONR-FZKCQIBNSA-N 1 3 360.462 -0.584 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000578005979 484152822 /nfs/dbraw/zinc/15/28/22/484152822.db2.gz JZICWAICCPKONR-JJXSEGSLSA-N 1 3 360.462 -0.584 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@H]2N)cn1 ZINC000578005979 484152811 /nfs/dbraw/zinc/15/28/11/484152811.db2.gz JZICWAICCPKONR-JJXSEGSLSA-N 1 3 360.462 -0.584 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C[C@H]2N)cn1 ZINC000578005980 484152850 /nfs/dbraw/zinc/15/28/50/484152850.db2.gz JZICWAICCPKONR-XUWVNRHRSA-N 1 3 360.462 -0.584 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C[C@H]2N)cn1 ZINC000578005980 484152842 /nfs/dbraw/zinc/15/28/42/484152842.db2.gz JZICWAICCPKONR-XUWVNRHRSA-N 1 3 360.462 -0.584 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C[C@H]2N)cn1 ZINC000578005981 484153405 /nfs/dbraw/zinc/15/34/05/484153405.db2.gz JZICWAICCPKONR-ZJIFWQFVSA-N 1 3 360.462 -0.584 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C[C@H]2N)cn1 ZINC000578005981 484153399 /nfs/dbraw/zinc/15/33/99/484153399.db2.gz JZICWAICCPKONR-ZJIFWQFVSA-N 1 3 360.462 -0.584 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000578031399 484156002 /nfs/dbraw/zinc/15/60/02/484156002.db2.gz RTFPUNGNVTXVHS-UHFFFAOYSA-N 1 3 367.538 -0.023 20 0 FBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000578134850 484195124 /nfs/dbraw/zinc/19/51/24/484195124.db2.gz HOTRKNWDJKRGEP-IYBDPMFKSA-N 1 3 351.495 -0.850 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000578192879 484200021 /nfs/dbraw/zinc/20/00/21/484200021.db2.gz DGPCQSLSYQPODX-KRWDZBQOSA-N 1 3 372.535 -0.327 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000578192880 484200173 /nfs/dbraw/zinc/20/01/73/484200173.db2.gz DGPCQSLSYQPODX-QGZVFWFLSA-N 1 3 372.535 -0.327 20 0 FBADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000578207021 484201952 /nfs/dbraw/zinc/20/19/52/484201952.db2.gz IKPCUJMJVWXZHU-KBPBESRZSA-N 1 3 365.478 -0.864 20 0 FBADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000578207022 484201975 /nfs/dbraw/zinc/20/19/75/484201975.db2.gz IKPCUJMJVWXZHU-KGLIPLIRSA-N 1 3 365.478 -0.864 20 0 FBADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000578207023 484201071 /nfs/dbraw/zinc/20/10/71/484201071.db2.gz IKPCUJMJVWXZHU-UONOGXRCSA-N 1 3 365.478 -0.864 20 0 FBADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000578207024 484201886 /nfs/dbraw/zinc/20/18/86/484201886.db2.gz IKPCUJMJVWXZHU-ZIAGYGMSSA-N 1 3 365.478 -0.864 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000578222828 484203724 /nfs/dbraw/zinc/20/37/24/484203724.db2.gz OQSGLIBBRKWUFS-UHFFFAOYSA-N 1 3 355.527 -0.262 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21)C[NH+]1CCN(C)CC1 ZINC000578227827 484203805 /nfs/dbraw/zinc/20/38/05/484203805.db2.gz LMPXMPZJTVXMLC-BRWVUGGUSA-N 1 3 365.522 -0.461 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000578227828 484203052 /nfs/dbraw/zinc/20/30/52/484203052.db2.gz LMPXMPZJTVXMLC-IKGGRYGDSA-N 1 3 365.522 -0.461 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)C[NH+]1CCN(C)CC1 ZINC000578227829 484203441 /nfs/dbraw/zinc/20/34/41/484203441.db2.gz LMPXMPZJTVXMLC-IXDOHACOSA-N 1 3 365.522 -0.461 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)C[NH+]1CCN(C)CC1 ZINC000578227830 484203404 /nfs/dbraw/zinc/20/34/04/484203404.db2.gz LMPXMPZJTVXMLC-ZACQAIPSSA-N 1 3 365.522 -0.461 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000578231268 484203930 /nfs/dbraw/zinc/20/39/30/484203930.db2.gz ZVPSHGHVXBOVTN-AWEZNQCLSA-N 1 3 361.446 -0.064 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000578231269 484203523 /nfs/dbraw/zinc/20/35/23/484203523.db2.gz ZVPSHGHVXBOVTN-CQSZACIVSA-N 1 3 361.446 -0.064 20 0 FBADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578380645 484211914 /nfs/dbraw/zinc/21/19/14/484211914.db2.gz DZYOEWALCSDYEN-ILXRZTDVSA-N 1 3 365.478 -0.863 20 0 FBADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578380645 484211909 /nfs/dbraw/zinc/21/19/09/484211909.db2.gz DZYOEWALCSDYEN-ILXRZTDVSA-N 1 3 365.478 -0.863 20 0 FBADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578380650 484211603 /nfs/dbraw/zinc/21/16/03/484211603.db2.gz DZYOEWALCSDYEN-KFWWJZLASA-N 1 3 365.478 -0.863 20 0 FBADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578380650 484211596 /nfs/dbraw/zinc/21/15/96/484211596.db2.gz DZYOEWALCSDYEN-KFWWJZLASA-N 1 3 365.478 -0.863 20 0 FBADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578380651 484211486 /nfs/dbraw/zinc/21/14/86/484211486.db2.gz DZYOEWALCSDYEN-QLFBSQMISA-N 1 3 365.478 -0.863 20 0 FBADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578380651 484211481 /nfs/dbraw/zinc/21/14/81/484211481.db2.gz DZYOEWALCSDYEN-QLFBSQMISA-N 1 3 365.478 -0.863 20 0 FBADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578380652 484212071 /nfs/dbraw/zinc/21/20/71/484212071.db2.gz DZYOEWALCSDYEN-RBSFLKMASA-N 1 3 365.478 -0.863 20 0 FBADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578380652 484212068 /nfs/dbraw/zinc/21/20/68/484212068.db2.gz DZYOEWALCSDYEN-RBSFLKMASA-N 1 3 365.478 -0.863 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000578541342 484218105 /nfs/dbraw/zinc/21/81/05/484218105.db2.gz GHJFEKGDOXOJSW-INIZCTEOSA-N 1 3 352.479 -0.090 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000578541343 484218783 /nfs/dbraw/zinc/21/87/83/484218783.db2.gz GHJFEKGDOXOJSW-MRXNPFEDSA-N 1 3 352.479 -0.090 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000578625172 484219695 /nfs/dbraw/zinc/21/96/95/484219695.db2.gz YQPBWVGHUWZIAQ-HNNXBMFYSA-N 1 3 353.467 -0.686 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000578625173 484219484 /nfs/dbraw/zinc/21/94/84/484219484.db2.gz YQPBWVGHUWZIAQ-OAHLLOKOSA-N 1 3 353.467 -0.686 20 0 FBADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578644239 484220066 /nfs/dbraw/zinc/22/00/66/484220066.db2.gz SLTPFCGNALSBAJ-CABCVRRESA-N 1 3 373.457 -0.500 20 0 FBADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578644240 484219671 /nfs/dbraw/zinc/21/96/71/484219671.db2.gz SLTPFCGNALSBAJ-GJZGRUSLSA-N 1 3 373.457 -0.500 20 0 FBADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578644241 484220078 /nfs/dbraw/zinc/22/00/78/484220078.db2.gz SLTPFCGNALSBAJ-HUUCEWRRSA-N 1 3 373.457 -0.500 20 0 FBADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578644242 484219929 /nfs/dbraw/zinc/21/99/29/484219929.db2.gz SLTPFCGNALSBAJ-LSDHHAIUSA-N 1 3 373.457 -0.500 20 0 FBADHO CSc1nnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000578679676 484222533 /nfs/dbraw/zinc/22/25/33/484222533.db2.gz OAWLDYPDHHCPNB-UHFFFAOYSA-N 1 3 374.536 -0.172 20 0 FBADHO CN(C)CC(=O)NCCN(CC[NH+]1CCCCCC1)C(=O)CN(C)C ZINC000578679827 484223354 /nfs/dbraw/zinc/22/33/54/484223354.db2.gz UHOYKUATKDELIP-UHFFFAOYSA-N 1 3 355.527 -0.070 20 0 FBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000578734767 484225007 /nfs/dbraw/zinc/22/50/07/484225007.db2.gz HKVYFQCFDIYBES-UHFFFAOYSA-N 1 3 367.494 -0.837 20 0 FBADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000578788056 484228038 /nfs/dbraw/zinc/22/80/38/484228038.db2.gz JVEWLLKSHPIPBR-INIZCTEOSA-N 1 3 360.458 -0.262 20 0 FBADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)CC(C)C ZINC000578850843 484231645 /nfs/dbraw/zinc/23/16/45/484231645.db2.gz MRFZQJLXCMDPRP-CVEARBPZSA-N 1 3 355.527 -0.040 20 0 FBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN)CC(C)C ZINC000578850848 484231146 /nfs/dbraw/zinc/23/11/46/484231146.db2.gz MRFZQJLXCMDPRP-HOTGVXAUSA-N 1 3 355.527 -0.040 20 0 FBADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)CC(C)C ZINC000578850849 484231013 /nfs/dbraw/zinc/23/10/13/484231013.db2.gz MRFZQJLXCMDPRP-HZPDHXFCSA-N 1 3 355.527 -0.040 20 0 FBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)CC(C)C ZINC000578850850 484231096 /nfs/dbraw/zinc/23/10/96/484231096.db2.gz MRFZQJLXCMDPRP-JKSUJKDBSA-N 1 3 355.527 -0.040 20 0 FBADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000578858117 484230735 /nfs/dbraw/zinc/23/07/35/484230735.db2.gz UBBSTGYRNWNWFX-UHFFFAOYSA-N 1 3 355.527 -0.214 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000579014381 484238695 /nfs/dbraw/zinc/23/86/95/484238695.db2.gz TULBKOBBLITYSD-UHFFFAOYSA-N 1 3 372.539 -0.365 20 0 FBADHO CC(C)N(C)CC(=O)N1CCN(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000579133139 484246209 /nfs/dbraw/zinc/24/62/09/484246209.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 1 3 355.527 -0.074 20 0 FBADHO CC(C)N(C)CC(=O)N1CCN(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000579133139 484246196 /nfs/dbraw/zinc/24/61/96/484246196.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 1 3 355.527 -0.074 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCN1C ZINC000579133139 484246188 /nfs/dbraw/zinc/24/61/88/484246188.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 1 3 355.527 -0.074 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCN1C ZINC000579133139 484246183 /nfs/dbraw/zinc/24/61/83/484246183.db2.gz VRDYSEXSMMPHRG-INIZCTEOSA-N 1 3 355.527 -0.074 20 0 FBADHO CC(C)N(C)CC(=O)N1CCN(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000579133142 484246302 /nfs/dbraw/zinc/24/63/02/484246302.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 1 3 355.527 -0.074 20 0 FBADHO CC(C)N(C)CC(=O)N1CCN(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000579133142 484246298 /nfs/dbraw/zinc/24/62/98/484246298.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 1 3 355.527 -0.074 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCN1C ZINC000579133142 484246290 /nfs/dbraw/zinc/24/62/90/484246290.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 1 3 355.527 -0.074 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCN1C ZINC000579133142 484246286 /nfs/dbraw/zinc/24/62/86/484246286.db2.gz VRDYSEXSMMPHRG-MRXNPFEDSA-N 1 3 355.527 -0.074 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000579138083 484246049 /nfs/dbraw/zinc/24/60/49/484246049.db2.gz NSXDWAYWZNHNHL-INIZCTEOSA-N 1 3 355.527 -0.214 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000579138252 484244837 /nfs/dbraw/zinc/24/48/37/484244837.db2.gz NSXDWAYWZNHNHL-MRXNPFEDSA-N 1 3 355.527 -0.214 20 0 FBADHO CN(C)CCn1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000579255413 484250394 /nfs/dbraw/zinc/25/03/94/484250394.db2.gz FJRWUKJTNLVHGT-AWEZNQCLSA-N 1 3 350.467 -0.238 20 0 FBADHO CN(C)CCn1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000579255413 484250390 /nfs/dbraw/zinc/25/03/90/484250390.db2.gz FJRWUKJTNLVHGT-AWEZNQCLSA-N 1 3 350.467 -0.238 20 0 FBADHO CN(C)CCn1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000579255414 484250513 /nfs/dbraw/zinc/25/05/13/484250513.db2.gz FJRWUKJTNLVHGT-CQSZACIVSA-N 1 3 350.467 -0.238 20 0 FBADHO CN(C)CCn1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000579255414 484250510 /nfs/dbraw/zinc/25/05/10/484250510.db2.gz FJRWUKJTNLVHGT-CQSZACIVSA-N 1 3 350.467 -0.238 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000579453923 484259699 /nfs/dbraw/zinc/25/96/99/484259699.db2.gz AULWJSWYXPVLOV-MSOLQXFVSA-N 1 3 373.501 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000579453923 484259693 /nfs/dbraw/zinc/25/96/93/484259693.db2.gz AULWJSWYXPVLOV-MSOLQXFVSA-N 1 3 373.501 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000579453924 484259986 /nfs/dbraw/zinc/25/99/86/484259986.db2.gz AULWJSWYXPVLOV-QZTJIDSGSA-N 1 3 373.501 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000579453924 484259976 /nfs/dbraw/zinc/25/99/76/484259976.db2.gz AULWJSWYXPVLOV-QZTJIDSGSA-N 1 3 373.501 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000579453925 484260158 /nfs/dbraw/zinc/26/01/58/484260158.db2.gz AULWJSWYXPVLOV-ROUUACIJSA-N 1 3 373.501 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000579453925 484260151 /nfs/dbraw/zinc/26/01/51/484260151.db2.gz AULWJSWYXPVLOV-ROUUACIJSA-N 1 3 373.501 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000579453926 484260588 /nfs/dbraw/zinc/26/05/88/484260588.db2.gz AULWJSWYXPVLOV-ZWKOTPCHSA-N 1 3 373.501 -0.274 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000579453926 484260581 /nfs/dbraw/zinc/26/05/81/484260581.db2.gz AULWJSWYXPVLOV-ZWKOTPCHSA-N 1 3 373.501 -0.274 20 0 FBADHO CN(C)CCn1c2cc(NC(=O)C(=O)N(C)CCC[NH3+])ccc2oc1=O ZINC000579495759 484264084 /nfs/dbraw/zinc/26/40/84/484264084.db2.gz KZHNCZRVRAZLCT-UHFFFAOYSA-N 1 3 363.418 -0.098 20 0 FBADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000579496248 484264254 /nfs/dbraw/zinc/26/42/54/484264254.db2.gz BBNRCGSLCFMEHL-DZGCQCFKSA-N 1 3 352.460 -0.319 20 0 FBADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000579496249 484263308 /nfs/dbraw/zinc/26/33/08/484263308.db2.gz BBNRCGSLCFMEHL-HIFRSBDPSA-N 1 3 352.460 -0.319 20 0 FBADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000579496250 484264000 /nfs/dbraw/zinc/26/40/00/484264000.db2.gz BBNRCGSLCFMEHL-UKRRQHHQSA-N 1 3 352.460 -0.319 20 0 FBADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000579496251 484263858 /nfs/dbraw/zinc/26/38/58/484263858.db2.gz BBNRCGSLCFMEHL-ZFWWWQNUSA-N 1 3 352.460 -0.319 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000579502567 484264155 /nfs/dbraw/zinc/26/41/55/484264155.db2.gz ZCBFIEZFHFARHI-UHFFFAOYSA-N 1 3 367.538 -0.022 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000579683678 484271924 /nfs/dbraw/zinc/27/19/24/484271924.db2.gz CVSGETWYILSCHS-UHFFFAOYSA-N 1 3 357.499 -0.689 20 0 FBADHO C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000579732131 484275172 /nfs/dbraw/zinc/27/51/72/484275172.db2.gz QDVFFKKZQQPTNC-BEFAXECRSA-N 1 3 362.474 -0.194 20 0 FBADHO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000579732131 484275168 /nfs/dbraw/zinc/27/51/68/484275168.db2.gz QDVFFKKZQQPTNC-BEFAXECRSA-N 1 3 362.474 -0.194 20 0 FBADHO C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000579732134 484274955 /nfs/dbraw/zinc/27/49/55/484274955.db2.gz QDVFFKKZQQPTNC-DNVCBOLYSA-N 1 3 362.474 -0.194 20 0 FBADHO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000579732134 484274952 /nfs/dbraw/zinc/27/49/52/484274952.db2.gz QDVFFKKZQQPTNC-DNVCBOLYSA-N 1 3 362.474 -0.194 20 0 FBADHO C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000579732136 484274485 /nfs/dbraw/zinc/27/44/85/484274485.db2.gz QDVFFKKZQQPTNC-HNAYVOBHSA-N 1 3 362.474 -0.194 20 0 FBADHO C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000579732136 484274479 /nfs/dbraw/zinc/27/44/79/484274479.db2.gz QDVFFKKZQQPTNC-HNAYVOBHSA-N 1 3 362.474 -0.194 20 0 FBADHO C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000579732138 484274930 /nfs/dbraw/zinc/27/49/30/484274930.db2.gz QDVFFKKZQQPTNC-KXBFYZLASA-N 1 3 362.474 -0.194 20 0 FBADHO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN(C)C ZINC000579732138 484274924 /nfs/dbraw/zinc/27/49/24/484274924.db2.gz QDVFFKKZQQPTNC-KXBFYZLASA-N 1 3 362.474 -0.194 20 0 FBADHO CC(C)CN1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000579805990 484276868 /nfs/dbraw/zinc/27/68/68/484276868.db2.gz PGIMNCDNMVNNJX-UHFFFAOYSA-N 1 3 369.510 -0.735 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C[C@H]2N)cn1 ZINC000579943222 484284590 /nfs/dbraw/zinc/28/45/90/484284590.db2.gz GHMFVKOUWIFCLF-LLLHUVSDSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C[C@H]2N)cn1 ZINC000579943222 484284585 /nfs/dbraw/zinc/28/45/85/484284585.db2.gz GHMFVKOUWIFCLF-LLLHUVSDSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C[C@H]2N)cn1 ZINC000579943223 484284102 /nfs/dbraw/zinc/28/41/02/484284102.db2.gz GHMFVKOUWIFCLF-QMCVQRASSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C[C@H]2N)cn1 ZINC000579943223 484284099 /nfs/dbraw/zinc/28/40/99/484284099.db2.gz GHMFVKOUWIFCLF-QMCVQRASSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C[C@H]2N)cn1 ZINC000579943225 484284039 /nfs/dbraw/zinc/28/40/39/484284039.db2.gz GHMFVKOUWIFCLF-XLNGHYISSA-N 1 3 374.489 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C[C@H]2N)cn1 ZINC000579943225 484284033 /nfs/dbraw/zinc/28/40/33/484284033.db2.gz GHMFVKOUWIFCLF-XLNGHYISSA-N 1 3 374.489 -0.384 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000579952564 484283745 /nfs/dbraw/zinc/28/37/45/484283745.db2.gz GROXJYPCZUPWHB-KBPBESRZSA-N 1 3 355.483 -0.759 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579952565 484283701 /nfs/dbraw/zinc/28/37/01/484283701.db2.gz GROXJYPCZUPWHB-KGLIPLIRSA-N 1 3 355.483 -0.759 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000579952566 484284151 /nfs/dbraw/zinc/28/41/51/484284151.db2.gz GROXJYPCZUPWHB-UONOGXRCSA-N 1 3 355.483 -0.759 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579952567 484283956 /nfs/dbraw/zinc/28/39/56/484283956.db2.gz GROXJYPCZUPWHB-ZIAGYGMSSA-N 1 3 355.483 -0.759 20 0 FBADHO Cc1cnc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000580005687 484287415 /nfs/dbraw/zinc/28/74/15/484287415.db2.gz SGKNSHRMMPDSNB-UHFFFAOYSA-N 1 3 350.467 -0.604 20 0 FBADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC2CNC2)c1 ZINC000580050666 484294312 /nfs/dbraw/zinc/29/43/12/484294312.db2.gz MPMSMERQGLFOOZ-UHFFFAOYSA-N 1 3 361.446 -0.215 20 0 FBADHO Cc1c([C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC000580224615 484390151 /nfs/dbraw/zinc/39/01/51/484390151.db2.gz VJKSKXJZNMAJME-CYBMUJFWSA-N 1 3 352.483 -0.142 20 0 FBADHO Cc1c([C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC000580224616 484389955 /nfs/dbraw/zinc/38/99/55/484389955.db2.gz VJKSKXJZNMAJME-ZDUSSCGKSA-N 1 3 352.483 -0.142 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000580534083 484021311 /nfs/dbraw/zinc/02/13/11/484021311.db2.gz RBOPHXYFCVPXAE-CABCVRRESA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000580534084 484020104 /nfs/dbraw/zinc/02/01/04/484020104.db2.gz RBOPHXYFCVPXAE-GJZGRUSLSA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000580534085 484019840 /nfs/dbraw/zinc/01/98/40/484019840.db2.gz RBOPHXYFCVPXAE-HUUCEWRRSA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000580534086 484020053 /nfs/dbraw/zinc/02/00/53/484020053.db2.gz RBOPHXYFCVPXAE-LSDHHAIUSA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@@H](CN)C1 ZINC000580551015 484090965 /nfs/dbraw/zinc/09/09/65/484090965.db2.gz RBDRWNWSAXIWIP-CVEARBPZSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@@H](CN)C1 ZINC000580551015 484090956 /nfs/dbraw/zinc/09/09/56/484090956.db2.gz RBDRWNWSAXIWIP-CVEARBPZSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@@H](CN)C1 ZINC000580551016 484091825 /nfs/dbraw/zinc/09/18/25/484091825.db2.gz RBDRWNWSAXIWIP-HOTGVXAUSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@@H](CN)C1 ZINC000580551016 484091815 /nfs/dbraw/zinc/09/18/15/484091815.db2.gz RBDRWNWSAXIWIP-HOTGVXAUSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[C@H](CN)C1 ZINC000580551017 484091379 /nfs/dbraw/zinc/09/13/79/484091379.db2.gz RBDRWNWSAXIWIP-HZPDHXFCSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)[C@H](CN)C1 ZINC000580551017 484091374 /nfs/dbraw/zinc/09/13/74/484091374.db2.gz RBDRWNWSAXIWIP-HZPDHXFCSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[C@H](CN)C1 ZINC000580551018 484090909 /nfs/dbraw/zinc/09/09/09/484090909.db2.gz RBDRWNWSAXIWIP-JKSUJKDBSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)[C@H](CN)C1 ZINC000580551018 484090905 /nfs/dbraw/zinc/09/09/05/484090905.db2.gz RBDRWNWSAXIWIP-JKSUJKDBSA-N 1 3 351.495 -0.722 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000580588869 484097343 /nfs/dbraw/zinc/09/73/43/484097343.db2.gz WJBXVBSVAHHVFJ-CABCVRRESA-N 1 3 369.510 -0.498 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000580588872 484096612 /nfs/dbraw/zinc/09/66/12/484096612.db2.gz WJBXVBSVAHHVFJ-GJZGRUSLSA-N 1 3 369.510 -0.498 20 0 FBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000580588875 484096379 /nfs/dbraw/zinc/09/63/79/484096379.db2.gz WJBXVBSVAHHVFJ-HUUCEWRRSA-N 1 3 369.510 -0.498 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000580588876 484097169 /nfs/dbraw/zinc/09/71/69/484097169.db2.gz WJBXVBSVAHHVFJ-LSDHHAIUSA-N 1 3 369.510 -0.498 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580639760 484102974 /nfs/dbraw/zinc/10/29/74/484102974.db2.gz SVIFYXXJTNKYPR-IKGGRYGDSA-N 1 3 363.506 -0.422 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580639768 484103443 /nfs/dbraw/zinc/10/34/43/484103443.db2.gz SVIFYXXJTNKYPR-ZACQAIPSSA-N 1 3 363.506 -0.422 20 0 FBADHO CCS(=O)(=O)NCCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580646950 484103374 /nfs/dbraw/zinc/10/33/74/484103374.db2.gz RQAVNNIOFITBPC-CABCVRRESA-N 1 3 360.524 -0.104 20 0 FBADHO CCS(=O)(=O)NCCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000580646951 484103652 /nfs/dbraw/zinc/10/36/52/484103652.db2.gz RQAVNNIOFITBPC-GJZGRUSLSA-N 1 3 360.524 -0.104 20 0 FBADHO CCS(=O)(=O)NCCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000580646952 484102852 /nfs/dbraw/zinc/10/28/52/484102852.db2.gz RQAVNNIOFITBPC-HUUCEWRRSA-N 1 3 360.524 -0.104 20 0 FBADHO CCS(=O)(=O)NCCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000580646953 484103362 /nfs/dbraw/zinc/10/33/62/484103362.db2.gz RQAVNNIOFITBPC-LSDHHAIUSA-N 1 3 360.524 -0.104 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)[C@@H](CN)C1 ZINC000580768587 484291907 /nfs/dbraw/zinc/29/19/07/484291907.db2.gz YUXKCZQDNDFCDN-INIZCTEOSA-N 1 3 353.511 -0.332 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)[C@H](CN)C1 ZINC000580768588 484292487 /nfs/dbraw/zinc/29/24/87/484292487.db2.gz YUXKCZQDNDFCDN-MRXNPFEDSA-N 1 3 353.511 -0.332 20 0 FBADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)CC[NH2+]CC2 ZINC000580768754 484292500 /nfs/dbraw/zinc/29/25/00/484292500.db2.gz ACFQMWOLOFDGKI-CABCVRRESA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)CC[NH2+]CC2 ZINC000580768755 484292144 /nfs/dbraw/zinc/29/21/44/484292144.db2.gz ACFQMWOLOFDGKI-GJZGRUSLSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)CC[NH2+]CC2 ZINC000580768756 484292548 /nfs/dbraw/zinc/29/25/48/484292548.db2.gz ACFQMWOLOFDGKI-HUUCEWRRSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)CC[NH2+]CC2 ZINC000580768757 484293089 /nfs/dbraw/zinc/29/30/89/484293089.db2.gz ACFQMWOLOFDGKI-LSDHHAIUSA-N 1 3 352.479 -0.234 20 0 FBADHO CN1CCN(C[C@H](O)C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000580769060 484260263 /nfs/dbraw/zinc/26/02/63/484260263.db2.gz PJXUZGZVJRBXTB-GOSISDBHSA-N 1 3 362.522 -0.469 20 0 FBADHO CN1CCN(C[C@@H](O)C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000580769069 484260774 /nfs/dbraw/zinc/26/07/74/484260774.db2.gz PJXUZGZVJRBXTB-SFHVURJKSA-N 1 3 362.522 -0.469 20 0 FBADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000580785701 484291980 /nfs/dbraw/zinc/29/19/80/484291980.db2.gz LGOJHQHGIXGOSC-CABCVRRESA-N 1 3 367.494 -0.618 20 0 FBADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000580785702 484292936 /nfs/dbraw/zinc/29/29/36/484292936.db2.gz LGOJHQHGIXGOSC-GJZGRUSLSA-N 1 3 367.494 -0.618 20 0 FBADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000580785703 484294458 /nfs/dbraw/zinc/29/44/58/484294458.db2.gz LGOJHQHGIXGOSC-HUUCEWRRSA-N 1 3 367.494 -0.618 20 0 FBADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000580785704 484293747 /nfs/dbraw/zinc/29/37/47/484293747.db2.gz LGOJHQHGIXGOSC-LSDHHAIUSA-N 1 3 367.494 -0.618 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000580819432 484293868 /nfs/dbraw/zinc/29/38/68/484293868.db2.gz VWKREXVTFVRFDD-CVEARBPZSA-N 1 3 356.511 -0.052 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000580819433 484294440 /nfs/dbraw/zinc/29/44/40/484294440.db2.gz VWKREXVTFVRFDD-HOTGVXAUSA-N 1 3 356.511 -0.052 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000580819434 484293809 /nfs/dbraw/zinc/29/38/09/484293809.db2.gz VWKREXVTFVRFDD-HZPDHXFCSA-N 1 3 356.511 -0.052 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000580819435 484294996 /nfs/dbraw/zinc/29/49/96/484294996.db2.gz VWKREXVTFVRFDD-JKSUJKDBSA-N 1 3 356.511 -0.052 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(CC(N)=O)CC3)CC2)CC1 ZINC000580842159 484297080 /nfs/dbraw/zinc/29/70/80/484297080.db2.gz XTBIWDYEQUUSBN-UHFFFAOYSA-N 1 3 365.522 -0.188 20 0 FBADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000580847516 484297311 /nfs/dbraw/zinc/29/73/11/484297311.db2.gz JGSFPVPYTKFVQA-INIZCTEOSA-N 1 3 367.538 -0.023 20 0 FBADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000580847516 484297305 /nfs/dbraw/zinc/29/73/05/484297305.db2.gz JGSFPVPYTKFVQA-INIZCTEOSA-N 1 3 367.538 -0.023 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000580847517 484296919 /nfs/dbraw/zinc/29/69/19/484296919.db2.gz JGSFPVPYTKFVQA-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000580847517 484296914 /nfs/dbraw/zinc/29/69/14/484296914.db2.gz JGSFPVPYTKFVQA-MRXNPFEDSA-N 1 3 367.538 -0.023 20 0 FBADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580946523 484301913 /nfs/dbraw/zinc/30/19/13/484301913.db2.gz KBEWTNNVMOICGB-DLBZAZTESA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580946524 484302494 /nfs/dbraw/zinc/30/24/94/484302494.db2.gz KBEWTNNVMOICGB-IAGOWNOFSA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580946525 484302963 /nfs/dbraw/zinc/30/29/63/484302963.db2.gz KBEWTNNVMOICGB-IRXDYDNUSA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580946526 484302832 /nfs/dbraw/zinc/30/28/32/484302832.db2.gz KBEWTNNVMOICGB-SJORKVTESA-N 1 3 363.506 -0.421 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000580946619 484301886 /nfs/dbraw/zinc/30/18/86/484301886.db2.gz XVMAILSMFSCVBL-DLBZAZTESA-N 1 3 367.538 -0.214 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580946620 484302029 /nfs/dbraw/zinc/30/20/29/484302029.db2.gz XVMAILSMFSCVBL-IAGOWNOFSA-N 1 3 367.538 -0.214 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000580946621 484302872 /nfs/dbraw/zinc/30/28/72/484302872.db2.gz XVMAILSMFSCVBL-IRXDYDNUSA-N 1 3 367.538 -0.214 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000580946622 484302069 /nfs/dbraw/zinc/30/20/69/484302069.db2.gz XVMAILSMFSCVBL-SJORKVTESA-N 1 3 367.538 -0.214 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000581110257 484309953 /nfs/dbraw/zinc/30/99/53/484309953.db2.gz PDKBYFWIFMWVNL-UHFFFAOYSA-N 1 3 363.462 -0.395 20 0 FBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581126007 483494462 /nfs/dbraw/zinc/49/44/62/483494462.db2.gz WQJHRTYTRXCWBO-BRWVUGGUSA-N 1 3 363.506 -0.422 20 0 FBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581126010 483495222 /nfs/dbraw/zinc/49/52/22/483495222.db2.gz WQJHRTYTRXCWBO-IKGGRYGDSA-N 1 3 363.506 -0.422 20 0 FBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581126012 483494556 /nfs/dbraw/zinc/49/45/56/483494556.db2.gz WQJHRTYTRXCWBO-IXDOHACOSA-N 1 3 363.506 -0.422 20 0 FBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581126014 483494412 /nfs/dbraw/zinc/49/44/12/483494412.db2.gz WQJHRTYTRXCWBO-ZACQAIPSSA-N 1 3 363.506 -0.422 20 0 FBADHO COc1ccnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000581247610 484317732 /nfs/dbraw/zinc/31/77/32/484317732.db2.gz JLOTYYWFTAHJSO-UHFFFAOYSA-N 1 3 352.439 -0.947 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000581273847 484318489 /nfs/dbraw/zinc/31/84/89/484318489.db2.gz ANLULBIIMHGLMN-UHFFFAOYSA-N 1 3 365.482 -0.889 20 0 FBADHO CCn1cc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000581296404 484320248 /nfs/dbraw/zinc/32/02/48/484320248.db2.gz COEHQPPNBXLYGQ-UHFFFAOYSA-N 1 3 352.483 -0.187 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1ccccc1 ZINC000581300465 484320123 /nfs/dbraw/zinc/32/01/23/484320123.db2.gz ZSSACNFTRHSLLN-DLBZAZTESA-N 1 3 361.490 -0.623 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1ccccc1 ZINC000581300466 484320664 /nfs/dbraw/zinc/32/06/64/484320664.db2.gz ZSSACNFTRHSLLN-IAGOWNOFSA-N 1 3 361.490 -0.623 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000581300467 484319856 /nfs/dbraw/zinc/31/98/56/484319856.db2.gz ZSSACNFTRHSLLN-IRXDYDNUSA-N 1 3 361.490 -0.623 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000581300468 484320694 /nfs/dbraw/zinc/32/06/94/484320694.db2.gz ZSSACNFTRHSLLN-SJORKVTESA-N 1 3 361.490 -0.623 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000581325891 484321345 /nfs/dbraw/zinc/32/13/45/484321345.db2.gz YNZGBWYQJUPWRX-UHFFFAOYSA-N 1 3 367.538 -0.023 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000581356033 484322871 /nfs/dbraw/zinc/32/28/71/484322871.db2.gz VOCSMWICEIIRJO-LLVKDONJSA-N 1 3 356.389 -0.680 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000581356034 484322918 /nfs/dbraw/zinc/32/29/18/484322918.db2.gz VOCSMWICEIIRJO-NSHDSACASA-N 1 3 356.389 -0.680 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000581423439 484326988 /nfs/dbraw/zinc/32/69/88/484326988.db2.gz NTLKWJDGXMGVAJ-HNNXBMFYSA-N 1 3 367.494 -0.804 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000581423440 484325985 /nfs/dbraw/zinc/32/59/85/484325985.db2.gz NTLKWJDGXMGVAJ-OAHLLOKOSA-N 1 3 367.494 -0.804 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000581435908 484328584 /nfs/dbraw/zinc/32/85/84/484328584.db2.gz VPRRQYOCPSERCT-BMFZPTHFSA-N 1 3 352.479 -0.188 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000581435908 484328578 /nfs/dbraw/zinc/32/85/78/484328578.db2.gz VPRRQYOCPSERCT-BMFZPTHFSA-N 1 3 352.479 -0.188 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000581435909 484328405 /nfs/dbraw/zinc/32/84/05/484328405.db2.gz VPRRQYOCPSERCT-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000581435909 484328401 /nfs/dbraw/zinc/32/84/01/484328401.db2.gz VPRRQYOCPSERCT-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000581435910 484327867 /nfs/dbraw/zinc/32/78/67/484327867.db2.gz VPRRQYOCPSERCT-IMJJTQAJSA-N 1 3 352.479 -0.188 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000581435910 484327861 /nfs/dbraw/zinc/32/78/61/484327861.db2.gz VPRRQYOCPSERCT-IMJJTQAJSA-N 1 3 352.479 -0.188 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000581435911 484328197 /nfs/dbraw/zinc/32/81/97/484328197.db2.gz VPRRQYOCPSERCT-NUEKZKHPSA-N 1 3 352.479 -0.188 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000581435911 484328191 /nfs/dbraw/zinc/32/81/91/484328191.db2.gz VPRRQYOCPSERCT-NUEKZKHPSA-N 1 3 352.479 -0.188 20 0 FBADHO COC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000581474546 484330140 /nfs/dbraw/zinc/33/01/40/484330140.db2.gz GTJNOJHXGPUTGW-CABCVRRESA-N 1 3 358.483 -0.800 20 0 FBADHO COC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000581474547 484329433 /nfs/dbraw/zinc/32/94/33/484329433.db2.gz GTJNOJHXGPUTGW-GJZGRUSLSA-N 1 3 358.483 -0.800 20 0 FBADHO COC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000581474548 484330250 /nfs/dbraw/zinc/33/02/50/484330250.db2.gz GTJNOJHXGPUTGW-HUUCEWRRSA-N 1 3 358.483 -0.800 20 0 FBADHO COC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000581474549 484330712 /nfs/dbraw/zinc/33/07/12/484330712.db2.gz GTJNOJHXGPUTGW-LSDHHAIUSA-N 1 3 358.483 -0.800 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000581474627 484330722 /nfs/dbraw/zinc/33/07/22/484330722.db2.gz VHYSJLUADWDKBM-UHFFFAOYSA-N 1 3 355.527 -0.262 20 0 FBADHO COC(=O)C1CCN(CCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581545846 484334566 /nfs/dbraw/zinc/33/45/66/484334566.db2.gz FYOCESDXTVWFKL-HNNXBMFYSA-N 1 3 368.478 -0.364 20 0 FBADHO COC(=O)C1CCN(CCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581545847 484334931 /nfs/dbraw/zinc/33/49/31/484334931.db2.gz FYOCESDXTVWFKL-OAHLLOKOSA-N 1 3 368.478 -0.364 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000581629309 484339858 /nfs/dbraw/zinc/33/98/58/484339858.db2.gz MTHIANXEYVZMKG-CRAIPNDOSA-N 1 3 370.494 -0.608 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000581629310 484339957 /nfs/dbraw/zinc/33/99/57/484339957.db2.gz MTHIANXEYVZMKG-MAUKXSAKSA-N 1 3 370.494 -0.608 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000581629311 484339722 /nfs/dbraw/zinc/33/97/22/484339722.db2.gz MTHIANXEYVZMKG-QAPCUYQASA-N 1 3 370.494 -0.608 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000581629312 484339739 /nfs/dbraw/zinc/33/97/39/484339739.db2.gz MTHIANXEYVZMKG-YJBOKZPZSA-N 1 3 370.494 -0.608 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000581665141 484343168 /nfs/dbraw/zinc/34/31/68/484343168.db2.gz VZTNKODUXNSZFH-UHFFFAOYSA-N 1 3 365.482 -0.357 20 0 FBADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000581721100 484346480 /nfs/dbraw/zinc/34/64/80/484346480.db2.gz FHNHKSBARSZTOX-HRCADAONSA-N 1 3 350.467 -0.033 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000581721101 484345957 /nfs/dbraw/zinc/34/59/57/484345957.db2.gz FHNHKSBARSZTOX-OWCLPIDISA-N 1 3 350.467 -0.033 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000581729285 484346148 /nfs/dbraw/zinc/34/61/48/484346148.db2.gz QDMWJTYQIVPVDF-CABCVRRESA-N 1 3 352.479 -0.390 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000581729286 484346259 /nfs/dbraw/zinc/34/62/59/484346259.db2.gz QDMWJTYQIVPVDF-GJZGRUSLSA-N 1 3 352.479 -0.390 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000581729287 484346377 /nfs/dbraw/zinc/34/63/77/484346377.db2.gz QDMWJTYQIVPVDF-HUUCEWRRSA-N 1 3 352.479 -0.390 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1=O ZINC000581729288 484345794 /nfs/dbraw/zinc/34/57/94/484345794.db2.gz QDMWJTYQIVPVDF-LSDHHAIUSA-N 1 3 352.479 -0.390 20 0 FBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000581823305 484349946 /nfs/dbraw/zinc/34/99/46/484349946.db2.gz YMFWJIDGAFDTGP-GDBMZVCRSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000581823306 484349363 /nfs/dbraw/zinc/34/93/63/484349363.db2.gz YMFWJIDGAFDTGP-GOEBONIOSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000581823307 484349931 /nfs/dbraw/zinc/34/99/31/484349931.db2.gz YMFWJIDGAFDTGP-HOCLYGCPSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000581823308 484349760 /nfs/dbraw/zinc/34/97/60/484349760.db2.gz YMFWJIDGAFDTGP-ZBFHGGJFSA-N 1 3 352.479 -0.057 20 0 FBADHO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]1CN1CCCC1 ZINC000581997215 484376725 /nfs/dbraw/zinc/37/67/25/484376725.db2.gz LMNXLCDIJQZRIR-DLBZAZTESA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]1CN1CCCC1 ZINC000581997216 484376099 /nfs/dbraw/zinc/37/60/99/484376099.db2.gz LMNXLCDIJQZRIR-IAGOWNOFSA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCC[C@H]1CN1CCCC1 ZINC000581997217 484376853 /nfs/dbraw/zinc/37/68/53/484376853.db2.gz LMNXLCDIJQZRIR-IRXDYDNUSA-N 1 3 363.506 -0.421 20 0 FBADHO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@H]1CN1CCCC1 ZINC000581997218 484376989 /nfs/dbraw/zinc/37/69/89/484376989.db2.gz LMNXLCDIJQZRIR-SJORKVTESA-N 1 3 363.506 -0.421 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc2c1OCO2 ZINC000582018340 484383530 /nfs/dbraw/zinc/38/35/30/484383530.db2.gz IKJMHKCHXIVCFD-UHFFFAOYSA-N 1 3 364.446 -0.017 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582068295 483490474 /nfs/dbraw/zinc/49/04/74/483490474.db2.gz GNIHIOOHEBNHFX-INIZCTEOSA-N 1 3 367.538 -0.036 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000582068296 483490117 /nfs/dbraw/zinc/49/01/17/483490117.db2.gz GNIHIOOHEBNHFX-MRXNPFEDSA-N 1 3 367.538 -0.036 20 0 FBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC000582124801 483873584 /nfs/dbraw/zinc/87/35/84/483873584.db2.gz UWUOXQSXVOSKAM-DZGCQCFKSA-N 1 3 363.466 -0.690 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000582124802 483873481 /nfs/dbraw/zinc/87/34/81/483873481.db2.gz UWUOXQSXVOSKAM-HIFRSBDPSA-N 1 3 363.466 -0.690 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC000582124803 483873341 /nfs/dbraw/zinc/87/33/41/483873341.db2.gz UWUOXQSXVOSKAM-UKRRQHHQSA-N 1 3 363.466 -0.690 20 0 FBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000582124804 483873447 /nfs/dbraw/zinc/87/34/47/483873447.db2.gz UWUOXQSXVOSKAM-ZFWWWQNUSA-N 1 3 363.466 -0.690 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1(C)C ZINC000582247164 484543967 /nfs/dbraw/zinc/54/39/67/484543967.db2.gz FUDNHPKYGFULRE-UHFFFAOYSA-N 1 3 353.511 -0.284 20 0 FBADHO O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582253257 484545844 /nfs/dbraw/zinc/54/58/44/484545844.db2.gz WWZPFLUSOGMCAX-INIZCTEOSA-N 1 3 360.458 -0.262 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000582448534 484346911 /nfs/dbraw/zinc/34/69/11/484346911.db2.gz KDSGHZBYFKENMW-UHFFFAOYSA-N 1 3 367.498 -0.399 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000582472443 484471845 /nfs/dbraw/zinc/47/18/45/484471845.db2.gz BMRBBIBTCHTULR-AWEZNQCLSA-N 1 3 368.400 -0.536 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000582472444 484471206 /nfs/dbraw/zinc/47/12/06/484471206.db2.gz BMRBBIBTCHTULR-CQSZACIVSA-N 1 3 368.400 -0.536 20 0 FBADHO CC(=O)N1CCC(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000582503219 484472649 /nfs/dbraw/zinc/47/26/49/484472649.db2.gz IKKITNLGBAFCPW-UHFFFAOYSA-N 1 3 369.510 -0.687 20 0 FBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000582548901 484473834 /nfs/dbraw/zinc/47/38/34/484473834.db2.gz FPUGVCLUVULNFJ-BFHYXJOUSA-N 1 3 360.462 -0.117 20 0 FBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000582548902 484474390 /nfs/dbraw/zinc/47/43/90/484474390.db2.gz FPUGVCLUVULNFJ-IHRRRGAJSA-N 1 3 360.462 -0.117 20 0 FBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000582548903 484473882 /nfs/dbraw/zinc/47/38/82/484473882.db2.gz FPUGVCLUVULNFJ-MELADBBJSA-N 1 3 360.462 -0.117 20 0 FBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000582548904 484474154 /nfs/dbraw/zinc/47/41/54/484474154.db2.gz FPUGVCLUVULNFJ-MJBXVCDLSA-N 1 3 360.462 -0.117 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000582585614 484348873 /nfs/dbraw/zinc/34/88/73/484348873.db2.gz IPPNDVJHCKXRSU-UHFFFAOYSA-N 1 3 350.467 0.231 20 0 FBADHO [NH3+]CCCn1cc(C(=O)NCCCN2CCN(c3ccncc3)CC2)nn1 ZINC000582843214 484506458 /nfs/dbraw/zinc/50/64/58/484506458.db2.gz ZYJGXSLJLJUACT-UHFFFAOYSA-N 1 3 372.477 -0.036 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000582847459 484507910 /nfs/dbraw/zinc/50/79/10/484507910.db2.gz PKVUYLAYXBMFCV-UHFFFAOYSA-N 1 3 374.489 -0.272 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000583340497 483408912 /nfs/dbraw/zinc/40/89/12/483408912.db2.gz BSVSJIAJCGDHMT-UHFFFAOYSA-N 1 3 360.462 -0.098 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000583439046 483891312 /nfs/dbraw/zinc/89/13/12/483891312.db2.gz ULJYPUUUTKRSSX-CVEARBPZSA-N 1 3 353.511 -0.366 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000583439047 483891716 /nfs/dbraw/zinc/89/17/16/483891716.db2.gz ULJYPUUUTKRSSX-HOTGVXAUSA-N 1 3 353.511 -0.366 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000583439048 483891694 /nfs/dbraw/zinc/89/16/94/483891694.db2.gz ULJYPUUUTKRSSX-HZPDHXFCSA-N 1 3 353.511 -0.366 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000583439049 483891390 /nfs/dbraw/zinc/89/13/90/483891390.db2.gz ULJYPUUUTKRSSX-JKSUJKDBSA-N 1 3 353.511 -0.366 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000583518575 484113019 /nfs/dbraw/zinc/11/30/19/484113019.db2.gz JMAVJZKGUITQKJ-KFWWJZLASA-N 1 3 354.495 -0.132 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000583518576 484112851 /nfs/dbraw/zinc/11/28/51/484112851.db2.gz JMAVJZKGUITQKJ-RBSFLKMASA-N 1 3 354.495 -0.132 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000583518577 484113191 /nfs/dbraw/zinc/11/31/91/484113191.db2.gz JMAVJZKGUITQKJ-RRFJBIMHSA-N 1 3 354.495 -0.132 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000583518578 484112557 /nfs/dbraw/zinc/11/25/57/484112557.db2.gz JMAVJZKGUITQKJ-ZNMIVQPWSA-N 1 3 354.495 -0.132 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000583640469 484267060 /nfs/dbraw/zinc/26/70/60/484267060.db2.gz LLUSUVVTOOJEGM-FZKCQIBNSA-N 1 3 352.479 -0.548 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000583640469 484267053 /nfs/dbraw/zinc/26/70/53/484267053.db2.gz LLUSUVVTOOJEGM-FZKCQIBNSA-N 1 3 352.479 -0.548 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000583640470 484267717 /nfs/dbraw/zinc/26/77/17/484267717.db2.gz LLUSUVVTOOJEGM-UGUYLWEFSA-N 1 3 352.479 -0.548 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000583640470 484267711 /nfs/dbraw/zinc/26/77/11/484267711.db2.gz LLUSUVVTOOJEGM-UGUYLWEFSA-N 1 3 352.479 -0.548 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000583640471 484267432 /nfs/dbraw/zinc/26/74/32/484267432.db2.gz LLUSUVVTOOJEGM-VGWMRTNUSA-N 1 3 352.479 -0.548 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000583640471 484267424 /nfs/dbraw/zinc/26/74/24/484267424.db2.gz LLUSUVVTOOJEGM-VGWMRTNUSA-N 1 3 352.479 -0.548 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000583640472 484268263 /nfs/dbraw/zinc/26/82/63/484268263.db2.gz LLUSUVVTOOJEGM-WCVJEAGWSA-N 1 3 352.479 -0.548 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000583640472 484268258 /nfs/dbraw/zinc/26/82/58/484268258.db2.gz LLUSUVVTOOJEGM-WCVJEAGWSA-N 1 3 352.479 -0.548 20 0 FBADHO CN(C)CCn1c2cc(NC(=O)c3cn(CC[NH3+])nn3)ccc2oc1=O ZINC000583642428 484268159 /nfs/dbraw/zinc/26/81/59/484268159.db2.gz AZNNZQGJWOIGOM-UHFFFAOYSA-N 1 3 359.390 -0.041 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000583687397 484194005 /nfs/dbraw/zinc/19/40/05/484194005.db2.gz WBDINNCBSQWFNQ-INIZCTEOSA-N 1 3 355.527 -0.214 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000583687397 484194002 /nfs/dbraw/zinc/19/40/02/484194002.db2.gz WBDINNCBSQWFNQ-INIZCTEOSA-N 1 3 355.527 -0.214 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000583687398 484194047 /nfs/dbraw/zinc/19/40/47/484194047.db2.gz WBDINNCBSQWFNQ-MRXNPFEDSA-N 1 3 355.527 -0.214 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000583687398 484194044 /nfs/dbraw/zinc/19/40/44/484194044.db2.gz WBDINNCBSQWFNQ-MRXNPFEDSA-N 1 3 355.527 -0.214 20 0 FBADHO CN(CCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1ccco1 ZINC000583687764 484193202 /nfs/dbraw/zinc/19/32/02/484193202.db2.gz SEXWYQCZGVFQQM-HNNXBMFYSA-N 1 3 365.478 -0.339 20 0 FBADHO CN(CCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1ccco1 ZINC000583687765 484194078 /nfs/dbraw/zinc/19/40/78/484194078.db2.gz SEXWYQCZGVFQQM-OAHLLOKOSA-N 1 3 365.478 -0.339 20 0 FBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000583749544 484551851 /nfs/dbraw/zinc/55/18/51/484551851.db2.gz AQIKAXIXVLXOPW-UHFFFAOYSA-N 1 3 373.461 -0.152 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000583798333 484557983 /nfs/dbraw/zinc/55/79/83/484557983.db2.gz FWSCMKHSTRMCQO-UHFFFAOYSA-N 1 3 353.511 -0.365 20 0 FBADHO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000583798405 484558201 /nfs/dbraw/zinc/55/82/01/484558201.db2.gz UAFLIGLTDFBUGS-HNNXBMFYSA-N 1 3 369.510 -0.545 20 0 FBADHO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000583798406 484558533 /nfs/dbraw/zinc/55/85/33/484558533.db2.gz UAFLIGLTDFBUGS-OAHLLOKOSA-N 1 3 369.510 -0.545 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000583940856 483402817 /nfs/dbraw/zinc/40/28/17/483402817.db2.gz YCUGYDXNXIVIGJ-KRWDZBQOSA-N 1 3 372.535 -0.233 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000583940857 483403252 /nfs/dbraw/zinc/40/32/52/483403252.db2.gz YCUGYDXNXIVIGJ-QGZVFWFLSA-N 1 3 372.535 -0.233 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000584007966 483476294 /nfs/dbraw/zinc/47/62/94/483476294.db2.gz VZKMXVWVQFJPBM-HNNXBMFYSA-N 1 3 367.494 -0.744 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000584007967 483476938 /nfs/dbraw/zinc/47/69/38/483476938.db2.gz VZKMXVWVQFJPBM-OAHLLOKOSA-N 1 3 367.494 -0.744 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000584047410 483581099 /nfs/dbraw/zinc/58/10/99/483581099.db2.gz WVPSCCUKTLYFDO-KRWDZBQOSA-N 1 3 367.538 -0.071 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000584047411 483580522 /nfs/dbraw/zinc/58/05/22/483580522.db2.gz WVPSCCUKTLYFDO-QGZVFWFLSA-N 1 3 367.538 -0.071 20 0 FBADHO N[C@H]1C[C@H]2CN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)CCN2C1=O ZINC000584064462 483582411 /nfs/dbraw/zinc/58/24/11/483582411.db2.gz CUNGXTCXMVMNRE-CKUJCDMFSA-N 1 3 364.494 -0.844 20 0 FBADHO N[C@H]1C[C@@H]2CN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)CCN2C1=O ZINC000584064463 483582342 /nfs/dbraw/zinc/58/23/42/483582342.db2.gz CUNGXTCXMVMNRE-FJBKBRRZSA-N 1 3 364.494 -0.844 20 0 FBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)CCN2C1=O ZINC000584064464 483581805 /nfs/dbraw/zinc/58/18/05/483581805.db2.gz CUNGXTCXMVMNRE-QDIHITRGSA-N 1 3 364.494 -0.844 20 0 FBADHO N[C@@H]1C[C@H]2CN(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)CCN2C1=O ZINC000584064465 483582254 /nfs/dbraw/zinc/58/22/54/483582254.db2.gz CUNGXTCXMVMNRE-SSHXOBKSSA-N 1 3 364.494 -0.844 20 0 FBADHO CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000584125230 483699100 /nfs/dbraw/zinc/69/91/00/483699100.db2.gz QSKLNQNJMJTDNK-KBPBESRZSA-N 1 3 365.478 -0.863 20 0 FBADHO CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000584125231 483699251 /nfs/dbraw/zinc/69/92/51/483699251.db2.gz QSKLNQNJMJTDNK-KGLIPLIRSA-N 1 3 365.478 -0.863 20 0 FBADHO CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000584125232 483699259 /nfs/dbraw/zinc/69/92/59/483699259.db2.gz QSKLNQNJMJTDNK-UONOGXRCSA-N 1 3 365.478 -0.863 20 0 FBADHO CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000584125233 483699578 /nfs/dbraw/zinc/69/95/78/483699578.db2.gz QSKLNQNJMJTDNK-ZIAGYGMSSA-N 1 3 365.478 -0.863 20 0 FBADHO CN(C)CCn1c2cc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)ccc2oc1=O ZINC000584302342 483835403 /nfs/dbraw/zinc/83/54/03/483835403.db2.gz AVDDLBNJZYZQTP-LBPRGKRZSA-N 1 3 361.402 -0.427 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NCCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000584427912 484548228 /nfs/dbraw/zinc/54/82/28/484548228.db2.gz WLRPCPRCGPWNEV-AWEZNQCLSA-N 1 3 367.498 -0.725 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(NCCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000584427913 484548462 /nfs/dbraw/zinc/54/84/62/484548462.db2.gz WLRPCPRCGPWNEV-CQSZACIVSA-N 1 3 367.498 -0.725 20 0 FBADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000584719306 484603523 /nfs/dbraw/zinc/60/35/23/484603523.db2.gz FESXSUVXKJMMEF-CVEARBPZSA-N 1 3 362.430 -0.090 20 0 FBADHO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000584719409 484603274 /nfs/dbraw/zinc/60/32/74/484603274.db2.gz FESXSUVXKJMMEF-HOTGVXAUSA-N 1 3 362.430 -0.090 20 0 FBADHO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000584719410 484603609 /nfs/dbraw/zinc/60/36/09/484603609.db2.gz FESXSUVXKJMMEF-HZPDHXFCSA-N 1 3 362.430 -0.090 20 0 FBADHO O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000584719411 484603401 /nfs/dbraw/zinc/60/34/01/484603401.db2.gz FESXSUVXKJMMEF-JKSUJKDBSA-N 1 3 362.430 -0.090 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000584776233 484607303 /nfs/dbraw/zinc/60/73/03/484607303.db2.gz NUABFVVJSRJZTL-IXDOHACOSA-N 1 3 374.489 -0.240 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000584776234 484607850 /nfs/dbraw/zinc/60/78/50/484607850.db2.gz NUABFVVJSRJZTL-YESZJQIVSA-N 1 3 374.489 -0.240 20 0 FBADHO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000590983017 483600587 /nfs/dbraw/zinc/60/05/87/483600587.db2.gz LIDJKKASTPKQSI-KRWDZBQOSA-N 1 3 356.467 -0.650 20 0 FBADHO COC(=O)[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000590983018 483600086 /nfs/dbraw/zinc/60/00/86/483600086.db2.gz LIDJKKASTPKQSI-QGZVFWFLSA-N 1 3 356.467 -0.650 20 0 FBADHO COC(=O)[C@]1(C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000590983020 483600468 /nfs/dbraw/zinc/60/04/68/483600468.db2.gz LQPYDHPCUYDSAS-RDTXWAMCSA-N 1 3 370.494 -0.404 20 0 FBADHO CCN1CCN([C@@H]2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)CC1 ZINC000591633464 483625811 /nfs/dbraw/zinc/62/58/11/483625811.db2.gz AVUCYGAFEIJWKZ-CVEARBPZSA-N 1 3 351.495 -0.435 20 0 FBADHO CCN1CCN([C@H]2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)CC1 ZINC000591633467 483626767 /nfs/dbraw/zinc/62/67/67/483626767.db2.gz AVUCYGAFEIJWKZ-HOTGVXAUSA-N 1 3 351.495 -0.435 20 0 FBADHO CCN1CCN([C@@H]2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)C2)CC1 ZINC000591633468 483627063 /nfs/dbraw/zinc/62/70/63/483627063.db2.gz AVUCYGAFEIJWKZ-HZPDHXFCSA-N 1 3 351.495 -0.435 20 0 FBADHO CCN1CCN([C@H]2CCN(C(=O)CN3CCCC[C@@H]([NH3+])C3=O)C2)CC1 ZINC000591633469 483627681 /nfs/dbraw/zinc/62/76/81/483627681.db2.gz AVUCYGAFEIJWKZ-JKSUJKDBSA-N 1 3 351.495 -0.435 20 0 FBADHO COC(=O)[C@@H]1C[C@H](O)CN(CCCC[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592204431 483658953 /nfs/dbraw/zinc/65/89/53/483658953.db2.gz ITJBARNMKZDGJE-WCVJEAGWSA-N 1 3 372.462 -0.522 20 0 FBADHO COC(=O)[C@@H]1C[C@H](O)CN(CCCC[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592204431 483658950 /nfs/dbraw/zinc/65/89/50/483658950.db2.gz ITJBARNMKZDGJE-WCVJEAGWSA-N 1 3 372.462 -0.522 20 0 FBADHO COC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC000592436711 483667245 /nfs/dbraw/zinc/66/72/45/483667245.db2.gz KRIRJICSYHEKHM-ZIAGYGMSSA-N 1 3 356.467 -0.794 20 0 FBADHO COC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000593594920 483687659 /nfs/dbraw/zinc/68/76/59/483687659.db2.gz HTTSCIPGEKBYSL-UHFFFAOYSA-N 1 3 365.434 -0.242 20 0 FBADHO CN1CC[NH+](CCCCNC(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC000594090799 483697915 /nfs/dbraw/zinc/69/79/15/483697915.db2.gz ZARVNNYHHWHPCP-INIZCTEOSA-N 1 3 368.526 -0.347 20 0 FBADHO CN1CC[NH+](CCCCNC(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000594090800 483697756 /nfs/dbraw/zinc/69/77/56/483697756.db2.gz ZARVNNYHHWHPCP-MRXNPFEDSA-N 1 3 368.526 -0.347 20 0 FBADHO CN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2)CC1 ZINC000594879650 483715855 /nfs/dbraw/zinc/71/58/55/483715855.db2.gz FQGOKXVNOOXBGM-MSOLQXFVSA-N 1 3 371.485 -0.182 20 0 FBADHO CN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)CC1 ZINC000594879651 483715812 /nfs/dbraw/zinc/71/58/12/483715812.db2.gz FQGOKXVNOOXBGM-QZTJIDSGSA-N 1 3 371.485 -0.182 20 0 FBADHO CN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2)CC1 ZINC000594879652 483715718 /nfs/dbraw/zinc/71/57/18/483715718.db2.gz FQGOKXVNOOXBGM-ROUUACIJSA-N 1 3 371.485 -0.182 20 0 FBADHO CN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)CC1 ZINC000594879653 483715876 /nfs/dbraw/zinc/71/58/76/483715876.db2.gz FQGOKXVNOOXBGM-ZWKOTPCHSA-N 1 3 371.485 -0.182 20 0 FBADHO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000595242286 483725184 /nfs/dbraw/zinc/72/51/84/483725184.db2.gz QFIFDBHECHBXBX-CABCVRRESA-N 1 3 359.430 -0.543 20 0 FBADHO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000595242287 483725215 /nfs/dbraw/zinc/72/52/15/483725215.db2.gz QFIFDBHECHBXBX-GJZGRUSLSA-N 1 3 359.430 -0.543 20 0 FBADHO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000595242288 483724880 /nfs/dbraw/zinc/72/48/80/483724880.db2.gz QFIFDBHECHBXBX-HUUCEWRRSA-N 1 3 359.430 -0.543 20 0 FBADHO C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000595242289 483724914 /nfs/dbraw/zinc/72/49/14/483724914.db2.gz QFIFDBHECHBXBX-LSDHHAIUSA-N 1 3 359.430 -0.543 20 0 FBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CCN2C1=O ZINC000595268683 483725166 /nfs/dbraw/zinc/72/51/66/483725166.db2.gz MFDCQRWPVZRMIE-FPCVCCKLSA-N 1 3 365.478 -0.682 20 0 FBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CCN2C1=O ZINC000595268684 483724828 /nfs/dbraw/zinc/72/48/28/483724828.db2.gz MFDCQRWPVZRMIE-KLHDSHLOSA-N 1 3 365.478 -0.682 20 0 FBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CCN2C1=O ZINC000595268685 483724919 /nfs/dbraw/zinc/72/49/19/483724919.db2.gz MFDCQRWPVZRMIE-LVQVYYBASA-N 1 3 365.478 -0.682 20 0 FBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CCN2C1=O ZINC000595268686 483725147 /nfs/dbraw/zinc/72/51/47/483725147.db2.gz MFDCQRWPVZRMIE-WCVJEAGWSA-N 1 3 365.478 -0.682 20 0 FBADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595277286 483726461 /nfs/dbraw/zinc/72/64/61/483726461.db2.gz JLVKODCANPRTTB-CABCVRRESA-N 1 3 365.478 -0.863 20 0 FBADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595277288 483726286 /nfs/dbraw/zinc/72/62/86/483726286.db2.gz JLVKODCANPRTTB-GJZGRUSLSA-N 1 3 365.478 -0.863 20 0 FBADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595277290 483726514 /nfs/dbraw/zinc/72/65/14/483726514.db2.gz JLVKODCANPRTTB-HUUCEWRRSA-N 1 3 365.478 -0.863 20 0 FBADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595277292 483726308 /nfs/dbraw/zinc/72/63/08/483726308.db2.gz JLVKODCANPRTTB-LSDHHAIUSA-N 1 3 365.478 -0.863 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCCC1 ZINC000595281287 483726470 /nfs/dbraw/zinc/72/64/70/483726470.db2.gz GUCQGHXPUNGMSN-KBPBESRZSA-N 1 3 365.478 -0.863 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCCC1 ZINC000595281290 483726490 /nfs/dbraw/zinc/72/64/90/483726490.db2.gz GUCQGHXPUNGMSN-KGLIPLIRSA-N 1 3 365.478 -0.863 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCCC1 ZINC000595281291 483726230 /nfs/dbraw/zinc/72/62/30/483726230.db2.gz GUCQGHXPUNGMSN-UONOGXRCSA-N 1 3 365.478 -0.863 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCCC1 ZINC000595281292 483726482 /nfs/dbraw/zinc/72/64/82/483726482.db2.gz GUCQGHXPUNGMSN-ZIAGYGMSSA-N 1 3 365.478 -0.863 20 0 FBADHO CC1(C)CC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000595282707 483726944 /nfs/dbraw/zinc/72/69/44/483726944.db2.gz YPJSVKNZVYRVNA-CHWSQXEVSA-N 1 3 365.478 -0.818 20 0 FBADHO CC1(C)CC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000595282708 483727189 /nfs/dbraw/zinc/72/71/89/483727189.db2.gz YPJSVKNZVYRVNA-OLZOCXBDSA-N 1 3 365.478 -0.818 20 0 FBADHO CC1(C)CC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000595282709 483726907 /nfs/dbraw/zinc/72/69/07/483726907.db2.gz YPJSVKNZVYRVNA-QWHCGFSZSA-N 1 3 365.478 -0.818 20 0 FBADHO CC1(C)CC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000595282710 483727096 /nfs/dbraw/zinc/72/70/96/483727096.db2.gz YPJSVKNZVYRVNA-STQMWFEESA-N 1 3 365.478 -0.818 20 0 FBADHO COC(=O)CCN1CCC[C@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886926 483739558 /nfs/dbraw/zinc/73/95/58/483739558.db2.gz AUMRVZWKOYNOGO-KBPBESRZSA-N 1 3 354.451 -0.673 20 0 FBADHO COC(=O)CCN1CCC[C@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886927 483739735 /nfs/dbraw/zinc/73/97/35/483739735.db2.gz AUMRVZWKOYNOGO-KGLIPLIRSA-N 1 3 354.451 -0.673 20 0 FBADHO COC(=O)CCN1CCC[C@@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886931 483739674 /nfs/dbraw/zinc/73/96/74/483739674.db2.gz AUMRVZWKOYNOGO-UONOGXRCSA-N 1 3 354.451 -0.673 20 0 FBADHO COC(=O)CCN1CCC[C@@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595886933 483739297 /nfs/dbraw/zinc/73/92/97/483739297.db2.gz AUMRVZWKOYNOGO-ZIAGYGMSSA-N 1 3 354.451 -0.673 20 0 FBADHO CNC(=O)NC(=O)CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910151 483740877 /nfs/dbraw/zinc/74/08/77/483740877.db2.gz HHKICVAHLGLJLT-CYBMUJFWSA-N 1 3 363.466 -0.156 20 0 FBADHO CNC(=O)NC(=O)CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910158 483740808 /nfs/dbraw/zinc/74/08/08/483740808.db2.gz HHKICVAHLGLJLT-ZDUSSCGKSA-N 1 3 363.466 -0.156 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000595972453 483742643 /nfs/dbraw/zinc/74/26/43/483742643.db2.gz WAVGGAOCSNRGOY-CYBMUJFWSA-N 1 3 350.467 -0.189 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000595972458 483742553 /nfs/dbraw/zinc/74/25/53/483742553.db2.gz WAVGGAOCSNRGOY-ZDUSSCGKSA-N 1 3 350.467 -0.189 20 0 FBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595978972 483743755 /nfs/dbraw/zinc/74/37/55/483743755.db2.gz ATXKEIDNCYKMNN-CABCVRRESA-N 1 3 367.494 -0.663 20 0 FBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595978974 483743555 /nfs/dbraw/zinc/74/35/55/483743555.db2.gz ATXKEIDNCYKMNN-GJZGRUSLSA-N 1 3 367.494 -0.663 20 0 FBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595978975 483743504 /nfs/dbraw/zinc/74/35/04/483743504.db2.gz ATXKEIDNCYKMNN-HUUCEWRRSA-N 1 3 367.494 -0.663 20 0 FBADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595978977 483743924 /nfs/dbraw/zinc/74/39/24/483743924.db2.gz ATXKEIDNCYKMNN-LSDHHAIUSA-N 1 3 367.494 -0.663 20 0 FBADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595979455 483743692 /nfs/dbraw/zinc/74/36/92/483743692.db2.gz FGBZHKMJJRQSBX-CABCVRRESA-N 1 3 367.494 -0.663 20 0 FBADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595979456 483743906 /nfs/dbraw/zinc/74/39/06/483743906.db2.gz FGBZHKMJJRQSBX-GJZGRUSLSA-N 1 3 367.494 -0.663 20 0 FBADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595979457 483743948 /nfs/dbraw/zinc/74/39/48/483743948.db2.gz FGBZHKMJJRQSBX-HUUCEWRRSA-N 1 3 367.494 -0.663 20 0 FBADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595979458 483743644 /nfs/dbraw/zinc/74/36/44/483743644.db2.gz FGBZHKMJJRQSBX-LSDHHAIUSA-N 1 3 367.494 -0.663 20 0 FBADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595979473 483743781 /nfs/dbraw/zinc/74/37/81/483743781.db2.gz AIPOPYYAHMLEAV-CABCVRRESA-N 1 3 365.478 -0.910 20 0 FBADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595979477 483743527 /nfs/dbraw/zinc/74/35/27/483743527.db2.gz AIPOPYYAHMLEAV-GJZGRUSLSA-N 1 3 365.478 -0.910 20 0 FBADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595979479 483743881 /nfs/dbraw/zinc/74/38/81/483743881.db2.gz AIPOPYYAHMLEAV-HUUCEWRRSA-N 1 3 365.478 -0.910 20 0 FBADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595979481 483743717 /nfs/dbraw/zinc/74/37/17/483743717.db2.gz AIPOPYYAHMLEAV-LSDHHAIUSA-N 1 3 365.478 -0.910 20 0 FBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980774 483744476 /nfs/dbraw/zinc/74/44/76/483744476.db2.gz KEXGXHKLSSCRHN-KKUMJFAQSA-N 1 3 365.478 -0.910 20 0 FBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980774 483744475 /nfs/dbraw/zinc/74/44/75/483744475.db2.gz KEXGXHKLSSCRHN-KKUMJFAQSA-N 1 3 365.478 -0.910 20 0 FBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980775 483744498 /nfs/dbraw/zinc/74/44/98/483744498.db2.gz KEXGXHKLSSCRHN-RRFJBIMHSA-N 1 3 365.478 -0.910 20 0 FBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980775 483744496 /nfs/dbraw/zinc/74/44/96/483744496.db2.gz KEXGXHKLSSCRHN-RRFJBIMHSA-N 1 3 365.478 -0.910 20 0 FBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980776 483744436 /nfs/dbraw/zinc/74/44/36/483744436.db2.gz KEXGXHKLSSCRHN-SOUVJXGZSA-N 1 3 365.478 -0.910 20 0 FBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980776 483744435 /nfs/dbraw/zinc/74/44/35/483744435.db2.gz KEXGXHKLSSCRHN-SOUVJXGZSA-N 1 3 365.478 -0.910 20 0 FBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980777 483744526 /nfs/dbraw/zinc/74/45/26/483744526.db2.gz KEXGXHKLSSCRHN-ZNMIVQPWSA-N 1 3 365.478 -0.910 20 0 FBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980777 483744525 /nfs/dbraw/zinc/74/45/25/483744525.db2.gz KEXGXHKLSSCRHN-ZNMIVQPWSA-N 1 3 365.478 -0.910 20 0 FBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H]1C ZINC000595982010 483745062 /nfs/dbraw/zinc/74/50/62/483745062.db2.gz QPNLCVTURCFIEZ-BYNSBNAKSA-N 1 3 365.478 -0.912 20 0 FBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@H]1C ZINC000595982010 483745061 /nfs/dbraw/zinc/74/50/61/483745061.db2.gz QPNLCVTURCFIEZ-BYNSBNAKSA-N 1 3 365.478 -0.912 20 0 FBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H]1C ZINC000595982011 483745165 /nfs/dbraw/zinc/74/51/65/483745165.db2.gz QPNLCVTURCFIEZ-CBBWQLFWSA-N 1 3 365.478 -0.912 20 0 FBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@H]1C ZINC000595982011 483745162 /nfs/dbraw/zinc/74/51/62/483745162.db2.gz QPNLCVTURCFIEZ-CBBWQLFWSA-N 1 3 365.478 -0.912 20 0 FBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H]1C ZINC000595982012 483744921 /nfs/dbraw/zinc/74/49/21/483744921.db2.gz QPNLCVTURCFIEZ-LXTVHRRPSA-N 1 3 365.478 -0.912 20 0 FBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@H]1C ZINC000595982012 483744918 /nfs/dbraw/zinc/74/49/18/483744918.db2.gz QPNLCVTURCFIEZ-LXTVHRRPSA-N 1 3 365.478 -0.912 20 0 FBADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H]1C ZINC000595982013 483745137 /nfs/dbraw/zinc/74/51/37/483745137.db2.gz QPNLCVTURCFIEZ-ZQDZILKHSA-N 1 3 365.478 -0.912 20 0 FBADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@H]1C ZINC000595982013 483745136 /nfs/dbraw/zinc/74/51/36/483745136.db2.gz QPNLCVTURCFIEZ-ZQDZILKHSA-N 1 3 365.478 -0.912 20 0 FBADHO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595982052 483744794 /nfs/dbraw/zinc/74/47/94/483744794.db2.gz RSBLRIXJKQHZRZ-KBPBESRZSA-N 1 3 365.478 -0.910 20 0 FBADHO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000595982052 483744792 /nfs/dbraw/zinc/74/47/92/483744792.db2.gz RSBLRIXJKQHZRZ-KBPBESRZSA-N 1 3 365.478 -0.910 20 0 FBADHO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595982053 483744981 /nfs/dbraw/zinc/74/49/81/483744981.db2.gz RSBLRIXJKQHZRZ-KGLIPLIRSA-N 1 3 365.478 -0.910 20 0 FBADHO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595982053 483744979 /nfs/dbraw/zinc/74/49/79/483744979.db2.gz RSBLRIXJKQHZRZ-KGLIPLIRSA-N 1 3 365.478 -0.910 20 0 FBADHO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595982055 483745005 /nfs/dbraw/zinc/74/50/05/483745005.db2.gz RSBLRIXJKQHZRZ-UONOGXRCSA-N 1 3 365.478 -0.910 20 0 FBADHO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595982055 483745003 /nfs/dbraw/zinc/74/50/03/483745003.db2.gz RSBLRIXJKQHZRZ-UONOGXRCSA-N 1 3 365.478 -0.910 20 0 FBADHO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595982057 483745090 /nfs/dbraw/zinc/74/50/90/483745090.db2.gz RSBLRIXJKQHZRZ-ZIAGYGMSSA-N 1 3 365.478 -0.910 20 0 FBADHO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595982057 483745089 /nfs/dbraw/zinc/74/50/89/483745089.db2.gz RSBLRIXJKQHZRZ-ZIAGYGMSSA-N 1 3 365.478 -0.910 20 0 FBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595983384 483745039 /nfs/dbraw/zinc/74/50/39/483745039.db2.gz XVEKSBYWOSETDV-CABCVRRESA-N 1 3 365.478 -0.909 20 0 FBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595983385 483744895 /nfs/dbraw/zinc/74/48/95/483744895.db2.gz XVEKSBYWOSETDV-GJZGRUSLSA-N 1 3 365.478 -0.909 20 0 FBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595983386 483744740 /nfs/dbraw/zinc/74/47/40/483744740.db2.gz XVEKSBYWOSETDV-HUUCEWRRSA-N 1 3 365.478 -0.909 20 0 FBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595983387 483744902 /nfs/dbraw/zinc/74/49/02/483744902.db2.gz XVEKSBYWOSETDV-LSDHHAIUSA-N 1 3 365.478 -0.909 20 0 FBADHO COC(=O)[C@H]1C[C@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596688610 483754008 /nfs/dbraw/zinc/75/40/08/483754008.db2.gz DUUWTJXKHWJANF-KKUMJFAQSA-N 1 3 358.483 -0.176 20 0 FBADHO COC(=O)[C@H]1C[C@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596688610 483754004 /nfs/dbraw/zinc/75/40/04/483754004.db2.gz DUUWTJXKHWJANF-KKUMJFAQSA-N 1 3 358.483 -0.176 20 0 FBADHO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596688615 483754372 /nfs/dbraw/zinc/75/43/72/483754372.db2.gz DUUWTJXKHWJANF-RRFJBIMHSA-N 1 3 358.483 -0.176 20 0 FBADHO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596688615 483754369 /nfs/dbraw/zinc/75/43/69/483754369.db2.gz DUUWTJXKHWJANF-RRFJBIMHSA-N 1 3 358.483 -0.176 20 0 FBADHO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596688618 483754157 /nfs/dbraw/zinc/75/41/57/483754157.db2.gz DUUWTJXKHWJANF-SOUVJXGZSA-N 1 3 358.483 -0.176 20 0 FBADHO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596688618 483754156 /nfs/dbraw/zinc/75/41/56/483754156.db2.gz DUUWTJXKHWJANF-SOUVJXGZSA-N 1 3 358.483 -0.176 20 0 FBADHO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000596688621 483753939 /nfs/dbraw/zinc/75/39/39/483753939.db2.gz DUUWTJXKHWJANF-ZNMIVQPWSA-N 1 3 358.483 -0.176 20 0 FBADHO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000596688621 483753936 /nfs/dbraw/zinc/75/39/36/483753936.db2.gz DUUWTJXKHWJANF-ZNMIVQPWSA-N 1 3 358.483 -0.176 20 0 FBADHO CN1CCN(CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000600979504 484041013 /nfs/dbraw/zinc/04/10/13/484041013.db2.gz VFRRSYIPKZERKG-UHFFFAOYSA-N 1 3 360.506 -0.043 20 0 FBADHO COC(=O)[C@@]1(C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC000601448646 483535676 /nfs/dbraw/zinc/53/56/76/483535676.db2.gz LQPYDHPCUYDSAS-KSSFIOAISA-N 1 3 370.494 -0.404 20 0 FBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000601586431 483830428 /nfs/dbraw/zinc/83/04/28/483830428.db2.gz YCEDIUOFMJWJIO-KBPBESRZSA-N 1 3 365.478 -0.910 20 0 FBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000601586434 483830499 /nfs/dbraw/zinc/83/04/99/483830499.db2.gz YCEDIUOFMJWJIO-KGLIPLIRSA-N 1 3 365.478 -0.910 20 0 FBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000601586436 483830484 /nfs/dbraw/zinc/83/04/84/483830484.db2.gz YCEDIUOFMJWJIO-UONOGXRCSA-N 1 3 365.478 -0.910 20 0 FBADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000601586439 483830579 /nfs/dbraw/zinc/83/05/79/483830579.db2.gz YCEDIUOFMJWJIO-ZIAGYGMSSA-N 1 3 365.478 -0.910 20 0 FBADHO CN1CCN(C)[C@H](CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000604195942 483862063 /nfs/dbraw/zinc/86/20/63/483862063.db2.gz ZXSMUNNNYSLMGM-DOTOQJQBSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CN(C)CCN3C)C2)CC1 ZINC000604195942 483862062 /nfs/dbraw/zinc/86/20/62/483862062.db2.gz ZXSMUNNNYSLMGM-DOTOQJQBSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CN(C)CCN3C)C2)CC1 ZINC000604195942 483862060 /nfs/dbraw/zinc/86/20/60/483862060.db2.gz ZXSMUNNNYSLMGM-DOTOQJQBSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCN(C)[C@H](CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000604195943 483861986 /nfs/dbraw/zinc/86/19/86/483861986.db2.gz ZXSMUNNNYSLMGM-NVXWUHKLSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CN(C)CCN3C)C2)CC1 ZINC000604195943 483861984 /nfs/dbraw/zinc/86/19/84/483861984.db2.gz ZXSMUNNNYSLMGM-NVXWUHKLSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CN(C)CCN3C)C2)CC1 ZINC000604195943 483861983 /nfs/dbraw/zinc/86/19/83/483861983.db2.gz ZXSMUNNNYSLMGM-NVXWUHKLSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCN(C)[C@@H](CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000604195944 483862166 /nfs/dbraw/zinc/86/21/66/483862166.db2.gz ZXSMUNNNYSLMGM-RDJZCZTQSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CN(C)CCN3C)C2)CC1 ZINC000604195944 483862165 /nfs/dbraw/zinc/86/21/65/483862165.db2.gz ZXSMUNNNYSLMGM-RDJZCZTQSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CN(C)CCN3C)C2)CC1 ZINC000604195944 483862164 /nfs/dbraw/zinc/86/21/64/483862164.db2.gz ZXSMUNNNYSLMGM-RDJZCZTQSA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCN(C)[C@@H](CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000604195945 483862381 /nfs/dbraw/zinc/86/23/81/483862381.db2.gz ZXSMUNNNYSLMGM-WBVHZDCISA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CN(C)CCN3C)C2)CC1 ZINC000604195945 483862379 /nfs/dbraw/zinc/86/23/79/483862379.db2.gz ZXSMUNNNYSLMGM-WBVHZDCISA-N 1 3 352.527 -0.300 20 0 FBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CN(C)CCN3C)C2)CC1 ZINC000604195945 483862378 /nfs/dbraw/zinc/86/23/78/483862378.db2.gz ZXSMUNNNYSLMGM-WBVHZDCISA-N 1 3 352.527 -0.300 20 0 FBADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604656079 483871973 /nfs/dbraw/zinc/87/19/73/483871973.db2.gz AKNGDQXJVJXLMI-CVEARBPZSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604656079 483871971 /nfs/dbraw/zinc/87/19/71/483871971.db2.gz AKNGDQXJVJXLMI-CVEARBPZSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604656080 483871910 /nfs/dbraw/zinc/87/19/10/483871910.db2.gz AKNGDQXJVJXLMI-HOTGVXAUSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604656080 483871909 /nfs/dbraw/zinc/87/19/09/483871909.db2.gz AKNGDQXJVJXLMI-HOTGVXAUSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604656081 483872021 /nfs/dbraw/zinc/87/20/21/483872021.db2.gz AKNGDQXJVJXLMI-HZPDHXFCSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604656081 483872018 /nfs/dbraw/zinc/87/20/18/483872018.db2.gz AKNGDQXJVJXLMI-HZPDHXFCSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604656082 483871876 /nfs/dbraw/zinc/87/18/76/483871876.db2.gz AKNGDQXJVJXLMI-JKSUJKDBSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604656082 483871874 /nfs/dbraw/zinc/87/18/74/483871874.db2.gz AKNGDQXJVJXLMI-JKSUJKDBSA-N 1 3 351.495 -0.071 20 0 FBADHO COCCN1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000605878325 483757527 /nfs/dbraw/zinc/75/75/27/483757527.db2.gz HBRJICKGUPLEMW-CVEARBPZSA-N 1 3 369.510 -0.016 20 0 FBADHO COCCN1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000605878325 483757526 /nfs/dbraw/zinc/75/75/26/483757526.db2.gz HBRJICKGUPLEMW-CVEARBPZSA-N 1 3 369.510 -0.016 20 0 FBADHO COCCN1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000605878331 483757807 /nfs/dbraw/zinc/75/78/07/483757807.db2.gz HBRJICKGUPLEMW-HOTGVXAUSA-N 1 3 369.510 -0.016 20 0 FBADHO COCCN1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000605878331 483757805 /nfs/dbraw/zinc/75/78/05/483757805.db2.gz HBRJICKGUPLEMW-HOTGVXAUSA-N 1 3 369.510 -0.016 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000605878333 483757772 /nfs/dbraw/zinc/75/77/72/483757772.db2.gz HBRJICKGUPLEMW-HZPDHXFCSA-N 1 3 369.510 -0.016 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000605878333 483757768 /nfs/dbraw/zinc/75/77/68/483757768.db2.gz HBRJICKGUPLEMW-HZPDHXFCSA-N 1 3 369.510 -0.016 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000605878334 483757483 /nfs/dbraw/zinc/75/74/83/483757483.db2.gz HBRJICKGUPLEMW-JKSUJKDBSA-N 1 3 369.510 -0.016 20 0 FBADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000605878334 483757482 /nfs/dbraw/zinc/75/74/82/483757482.db2.gz HBRJICKGUPLEMW-JKSUJKDBSA-N 1 3 369.510 -0.016 20 0 FBADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000605881408 483758068 /nfs/dbraw/zinc/75/80/68/483758068.db2.gz LQOMXSLLYLNODL-INIZCTEOSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000605881424 483758135 /nfs/dbraw/zinc/75/81/35/483758135.db2.gz LQOMXSLLYLNODL-MRXNPFEDSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665886 483895995 /nfs/dbraw/zinc/89/59/95/483895995.db2.gz VJORRKICWRTVER-CVEARBPZSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665886 483895992 /nfs/dbraw/zinc/89/59/92/483895992.db2.gz VJORRKICWRTVER-CVEARBPZSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665887 483895845 /nfs/dbraw/zinc/89/58/45/483895845.db2.gz VJORRKICWRTVER-HOTGVXAUSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000606665887 483895844 /nfs/dbraw/zinc/89/58/44/483895844.db2.gz VJORRKICWRTVER-HOTGVXAUSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665888 483895863 /nfs/dbraw/zinc/89/58/63/483895863.db2.gz VJORRKICWRTVER-HZPDHXFCSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665888 483895862 /nfs/dbraw/zinc/89/58/62/483895862.db2.gz VJORRKICWRTVER-HZPDHXFCSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665889 483895939 /nfs/dbraw/zinc/89/59/39/483895939.db2.gz VJORRKICWRTVER-JKSUJKDBSA-N 1 3 369.510 -0.051 20 0 FBADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000606665889 483895937 /nfs/dbraw/zinc/89/59/37/483895937.db2.gz VJORRKICWRTVER-JKSUJKDBSA-N 1 3 369.510 -0.051 20 0 FBADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000606704931 483905700 /nfs/dbraw/zinc/90/57/00/483905700.db2.gz GXPZMPWMANRUFF-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000606704932 483906314 /nfs/dbraw/zinc/90/63/14/483906314.db2.gz GXPZMPWMANRUFF-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000607232139 484316467 /nfs/dbraw/zinc/31/64/67/484316467.db2.gz AHGSAWXLSXNAFE-UHFFFAOYSA-N 1 3 351.517 -0.597 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000607233010 484315003 /nfs/dbraw/zinc/31/50/03/484315003.db2.gz YCEZHEZYDQETOP-UHFFFAOYSA-N 1 3 371.507 -0.031 20 0 FBADHO COCC(=O)N1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000607233829 484316956 /nfs/dbraw/zinc/31/69/56/484316956.db2.gz PDABSJZNYHPZOI-UHFFFAOYSA-N 1 3 357.499 -0.241 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000607236969 484317035 /nfs/dbraw/zinc/31/70/35/484317035.db2.gz OGXCSZIOCAIPKM-AWEZNQCLSA-N 1 3 363.528 -0.455 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000607236970 484317289 /nfs/dbraw/zinc/31/72/89/484317289.db2.gz OGXCSZIOCAIPKM-CQSZACIVSA-N 1 3 363.528 -0.455 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cnccn1 ZINC000607239533 484321642 /nfs/dbraw/zinc/32/16/42/484321642.db2.gz AEXFABVDFKDWMC-UHFFFAOYSA-N 1 3 351.455 -0.659 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCCS1(=O)=O ZINC000607240250 484324727 /nfs/dbraw/zinc/32/47/27/484324727.db2.gz XYKRUCFRIWOQLR-UHFFFAOYSA-N 1 3 363.528 -0.453 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000607243423 484342056 /nfs/dbraw/zinc/34/20/56/484342056.db2.gz DFTALLICBFSRKX-UHFFFAOYSA-N 1 3 351.517 -0.551 20 0 FBADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000607754057 483422025 /nfs/dbraw/zinc/42/20/25/483422025.db2.gz YTGRQHWVYZPVHS-UHFFFAOYSA-N 1 3 367.494 -0.046 20 0 FBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611651829 484946039 /nfs/dbraw/zinc/94/60/39/484946039.db2.gz XEMSRNFPSPSBPR-COXVUDFISA-N 1 3 364.490 -0.045 20 0 FBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611651835 484946794 /nfs/dbraw/zinc/94/67/94/484946794.db2.gz XEMSRNFPSPSBPR-KBRIMQKVSA-N 1 3 364.490 -0.045 20 0 FBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611651837 484946198 /nfs/dbraw/zinc/94/61/98/484946198.db2.gz XEMSRNFPSPSBPR-XOKHGSTOSA-N 1 3 364.490 -0.045 20 0 FBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611651840 484946095 /nfs/dbraw/zinc/94/60/95/484946095.db2.gz XEMSRNFPSPSBPR-XYPHTWIQSA-N 1 3 364.490 -0.045 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543681 485220392 /nfs/dbraw/zinc/22/03/92/485220392.db2.gz RSLXKVNMSWXZDJ-GDBMZVCRSA-N 1 3 352.479 -0.356 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543681 485220386 /nfs/dbraw/zinc/22/03/86/485220386.db2.gz RSLXKVNMSWXZDJ-GDBMZVCRSA-N 1 3 352.479 -0.356 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543685 485220716 /nfs/dbraw/zinc/22/07/16/485220716.db2.gz RSLXKVNMSWXZDJ-GOEBONIOSA-N 1 3 352.479 -0.356 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000612543685 485220712 /nfs/dbraw/zinc/22/07/12/485220712.db2.gz RSLXKVNMSWXZDJ-GOEBONIOSA-N 1 3 352.479 -0.356 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000612543687 485221471 /nfs/dbraw/zinc/22/14/71/485221471.db2.gz RSLXKVNMSWXZDJ-HOCLYGCPSA-N 1 3 352.479 -0.356 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000612543687 485221465 /nfs/dbraw/zinc/22/14/65/485221465.db2.gz RSLXKVNMSWXZDJ-HOCLYGCPSA-N 1 3 352.479 -0.356 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000612543689 485221823 /nfs/dbraw/zinc/22/18/23/485221823.db2.gz RSLXKVNMSWXZDJ-ZBFHGGJFSA-N 1 3 352.479 -0.356 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000612543689 485221821 /nfs/dbraw/zinc/22/18/21/485221821.db2.gz RSLXKVNMSWXZDJ-ZBFHGGJFSA-N 1 3 352.479 -0.356 20 0 FBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000612544797 485222502 /nfs/dbraw/zinc/22/25/02/485222502.db2.gz HAUJFYRDBCPQCU-INIZCTEOSA-N 1 3 353.511 -0.317 20 0 FBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000612544797 485222497 /nfs/dbraw/zinc/22/24/97/485222497.db2.gz HAUJFYRDBCPQCU-INIZCTEOSA-N 1 3 353.511 -0.317 20 0 FBADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000612544798 485223525 /nfs/dbraw/zinc/22/35/25/485223525.db2.gz HAUJFYRDBCPQCU-MRXNPFEDSA-N 1 3 353.511 -0.317 20 0 FBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000612544798 485223518 /nfs/dbraw/zinc/22/35/18/485223518.db2.gz HAUJFYRDBCPQCU-MRXNPFEDSA-N 1 3 353.511 -0.317 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000612547421 485223464 /nfs/dbraw/zinc/22/34/64/485223464.db2.gz CZEXGZDBXWIHSN-HNNXBMFYSA-N 1 3 354.495 -0.108 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000612547421 485223458 /nfs/dbraw/zinc/22/34/58/485223458.db2.gz CZEXGZDBXWIHSN-HNNXBMFYSA-N 1 3 354.495 -0.108 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000612547422 485223553 /nfs/dbraw/zinc/22/35/53/485223553.db2.gz CZEXGZDBXWIHSN-OAHLLOKOSA-N 1 3 354.495 -0.108 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000612547422 485223551 /nfs/dbraw/zinc/22/35/51/485223551.db2.gz CZEXGZDBXWIHSN-OAHLLOKOSA-N 1 3 354.495 -0.108 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000612548155 485223036 /nfs/dbraw/zinc/22/30/36/485223036.db2.gz LEYGOEGCLNTBFI-DLBZAZTESA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000612548155 485223033 /nfs/dbraw/zinc/22/30/33/485223033.db2.gz LEYGOEGCLNTBFI-DLBZAZTESA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000612548156 485223307 /nfs/dbraw/zinc/22/33/07/485223307.db2.gz LEYGOEGCLNTBFI-IAGOWNOFSA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000612548156 485223304 /nfs/dbraw/zinc/22/33/04/485223304.db2.gz LEYGOEGCLNTBFI-IAGOWNOFSA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000612548157 485222389 /nfs/dbraw/zinc/22/23/89/485222389.db2.gz LEYGOEGCLNTBFI-IRXDYDNUSA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000612548157 485222382 /nfs/dbraw/zinc/22/23/82/485222382.db2.gz LEYGOEGCLNTBFI-IRXDYDNUSA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000612548158 485223291 /nfs/dbraw/zinc/22/32/91/485223291.db2.gz LEYGOEGCLNTBFI-SJORKVTESA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000612548158 485223290 /nfs/dbraw/zinc/22/32/90/485223290.db2.gz LEYGOEGCLNTBFI-SJORKVTESA-N 1 3 365.522 -0.175 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595063 485228120 /nfs/dbraw/zinc/22/81/20/485228120.db2.gz IWLORJSYNZZQKG-CVEARBPZSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595064 485228641 /nfs/dbraw/zinc/22/86/41/485228641.db2.gz IWLORJSYNZZQKG-HOTGVXAUSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595065 485228949 /nfs/dbraw/zinc/22/89/49/485228949.db2.gz IWLORJSYNZZQKG-HZPDHXFCSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595066 485228527 /nfs/dbraw/zinc/22/85/27/485228527.db2.gz IWLORJSYNZZQKG-JKSUJKDBSA-N 1 3 352.479 -0.092 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612598913 485227773 /nfs/dbraw/zinc/22/77/73/485227773.db2.gz LLYNNWUAPGGNTH-INIZCTEOSA-N 1 3 370.494 -0.608 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612598914 485227448 /nfs/dbraw/zinc/22/74/48/485227448.db2.gz LLYNNWUAPGGNTH-MRXNPFEDSA-N 1 3 370.494 -0.608 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612599503 485227229 /nfs/dbraw/zinc/22/72/29/485227229.db2.gz WYDDRUANTIQKIF-INIZCTEOSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612599504 485227010 /nfs/dbraw/zinc/22/70/10/485227010.db2.gz WYDDRUANTIQKIF-MRXNPFEDSA-N 1 3 352.479 -0.090 20 0 FBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612599507 485226827 /nfs/dbraw/zinc/22/68/27/485226827.db2.gz XCWRTPUHQOYENB-CVEARBPZSA-N 1 3 352.479 -0.092 20 0 FBADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612599508 485227142 /nfs/dbraw/zinc/22/71/42/485227142.db2.gz XCWRTPUHQOYENB-HOTGVXAUSA-N 1 3 352.479 -0.092 20 0 FBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612599509 485227524 /nfs/dbraw/zinc/22/75/24/485227524.db2.gz XCWRTPUHQOYENB-HZPDHXFCSA-N 1 3 352.479 -0.092 20 0 FBADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612599510 485226787 /nfs/dbraw/zinc/22/67/87/485226787.db2.gz XCWRTPUHQOYENB-JKSUJKDBSA-N 1 3 352.479 -0.092 20 0 FBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612925560 485252132 /nfs/dbraw/zinc/25/21/32/485252132.db2.gz PHRZJDYBHPQRDT-SZOQZIPDSA-N 1 3 359.478 -0.074 20 0 FBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612925561 485252307 /nfs/dbraw/zinc/25/23/07/485252307.db2.gz PHRZJDYBHPQRDT-WVZRYYJFSA-N 1 3 359.478 -0.074 20 0 FBADHO C[C@@H](CN(C)C)NC(=O)c1cc(=O)cc(C(=O)N[C@@H](C)C[NH+](C)C)o1 ZINC000614839002 484557884 /nfs/dbraw/zinc/55/78/84/484557884.db2.gz MJILHPWNPSIYOL-RYUDHWBXSA-N 1 3 352.435 0.000 20 0 FBADHO CC[C@H](C(=O)NCCN1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC000614908272 484631490 /nfs/dbraw/zinc/63/14/90/484631490.db2.gz DUIZAQINBCKGJN-CVEARBPZSA-N 1 3 355.527 -0.073 20 0 FBADHO CC[C@@H](C(=O)NCCN1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC000614908275 484632323 /nfs/dbraw/zinc/63/23/23/484632323.db2.gz DUIZAQINBCKGJN-HOTGVXAUSA-N 1 3 355.527 -0.073 20 0 FBADHO CC[C@H](C(=O)NCCN1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)N(C)C ZINC000614908276 484631964 /nfs/dbraw/zinc/63/19/64/484631964.db2.gz DUIZAQINBCKGJN-HZPDHXFCSA-N 1 3 355.527 -0.073 20 0 FBADHO CC[C@H](C(=O)N1CCN(CCNC(=O)[C@H](CC)N(C)C)CC1)[NH+](C)C ZINC000614908277 484631752 /nfs/dbraw/zinc/63/17/52/484631752.db2.gz DUIZAQINBCKGJN-JKSUJKDBSA-N 1 3 355.527 -0.073 20 0 FBADHO CN1CCC[C@H]1C(=O)NCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000614909023 484632799 /nfs/dbraw/zinc/63/27/99/484632799.db2.gz NRMDJYCHROZMEV-HOTGVXAUSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCC[C@H]1C(=O)NCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000614909023 484632794 /nfs/dbraw/zinc/63/27/94/484632794.db2.gz NRMDJYCHROZMEV-HOTGVXAUSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCC[C@@H]1C(=O)NCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000614909024 484633020 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DYBMTMODFQDQLI-RVKKMQEKSA-N 1 3 352.479 -0.057 20 0 FBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCCO1 ZINC000621837322 484724669 /nfs/dbraw/zinc/72/46/69/484724669.db2.gz DYBMTMODFQDQLI-VKJFTORMSA-N 1 3 352.479 -0.057 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1(C)C ZINC000621841241 484726685 /nfs/dbraw/zinc/72/66/85/484726685.db2.gz SGCQUGDUCZTVJX-KBXCAEBGSA-N 1 3 351.495 -0.532 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1(C)C ZINC000621841242 484726321 /nfs/dbraw/zinc/72/63/21/484726321.db2.gz SGCQUGDUCZTVJX-KDOFPFPSSA-N 1 3 351.495 -0.532 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1(C)C ZINC000621841243 484726521 /nfs/dbraw/zinc/72/65/21/484726521.db2.gz SGCQUGDUCZTVJX-KSSFIOAISA-N 1 3 351.495 -0.532 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1(C)C ZINC000621841244 484726226 /nfs/dbraw/zinc/72/62/26/484726226.db2.gz SGCQUGDUCZTVJX-RDTXWAMCSA-N 1 3 351.495 -0.532 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843416 484726867 /nfs/dbraw/zinc/72/68/67/484726867.db2.gz FGKANNLWZHJXNG-APWZRJJASA-N 1 3 365.522 -0.140 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621843417 484726128 /nfs/dbraw/zinc/72/61/28/484726128.db2.gz FGKANNLWZHJXNG-LPHOPBHVSA-N 1 3 365.522 -0.140 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843418 484726666 /nfs/dbraw/zinc/72/66/66/484726666.db2.gz FGKANNLWZHJXNG-QFBILLFUSA-N 1 3 365.522 -0.140 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621843419 484726770 /nfs/dbraw/zinc/72/67/70/484726770.db2.gz FGKANNLWZHJXNG-VQIMIIECSA-N 1 3 365.522 -0.140 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844370 484726167 /nfs/dbraw/zinc/72/61/67/484726167.db2.gz QJGNFEVQFKBZQW-CRAIPNDOSA-N 1 3 351.495 -0.530 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844371 484726357 /nfs/dbraw/zinc/72/63/57/484726357.db2.gz QJGNFEVQFKBZQW-MAUKXSAKSA-N 1 3 351.495 -0.530 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844372 484726418 /nfs/dbraw/zinc/72/64/18/484726418.db2.gz QJGNFEVQFKBZQW-QAPCUYQASA-N 1 3 351.495 -0.530 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844373 484726649 /nfs/dbraw/zinc/72/66/49/484726649.db2.gz QJGNFEVQFKBZQW-YJBOKZPZSA-N 1 3 351.495 -0.530 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845255 484726387 /nfs/dbraw/zinc/72/63/87/484726387.db2.gz GNZCASJLNCWRJA-GJYPPUQNSA-N 1 3 365.522 -0.284 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845256 484726093 /nfs/dbraw/zinc/72/60/93/484726093.db2.gz GNZCASJLNCWRJA-GPMSIDNRSA-N 1 3 365.522 -0.284 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845257 484726407 /nfs/dbraw/zinc/72/64/07/484726407.db2.gz GNZCASJLNCWRJA-JTDSTZFVSA-N 1 3 365.522 -0.284 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845258 484726813 /nfs/dbraw/zinc/72/68/13/484726813.db2.gz GNZCASJLNCWRJA-MDZRGWNJSA-N 1 3 365.522 -0.284 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)CN1CCN(C)CC1 ZINC000621845630 484726458 /nfs/dbraw/zinc/72/64/58/484726458.db2.gz MPIHGQVQZPXOEO-IIDMSEBBSA-N 1 3 351.495 -0.674 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)CN1CCN(C)CC1 ZINC000621845631 484726742 /nfs/dbraw/zinc/72/67/42/484726742.db2.gz MPIHGQVQZPXOEO-RKVPGOIHSA-N 1 3 351.495 -0.674 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)CN1CCN(C)CC1 ZINC000621845632 484726480 /nfs/dbraw/zinc/72/64/80/484726480.db2.gz MPIHGQVQZPXOEO-RVKKMQEKSA-N 1 3 351.495 -0.674 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)CN1CCN(C)CC1 ZINC000621845633 484726281 /nfs/dbraw/zinc/72/62/81/484726281.db2.gz MPIHGQVQZPXOEO-VKJFTORMSA-N 1 3 351.495 -0.674 20 0 FBADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C2 ZINC000621849162 484727557 /nfs/dbraw/zinc/72/75/57/484727557.db2.gz OGOZWEDSTBNSCD-JOQOYGCGSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C2 ZINC000621849163 484728393 /nfs/dbraw/zinc/72/83/93/484728393.db2.gz OGOZWEDSTBNSCD-SIIHOXLZSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC000621849164 484727533 /nfs/dbraw/zinc/72/75/33/484727533.db2.gz OGOZWEDSTBNSCD-XUWXXGDYSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC000621849165 484727736 /nfs/dbraw/zinc/72/77/36/484727736.db2.gz OGOZWEDSTBNSCD-YEWWUXTCSA-N 1 3 350.463 -0.304 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026189 484757173 /nfs/dbraw/zinc/75/71/73/484757173.db2.gz GQJJRYBOFAIBSP-MPGHIAIKSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622026190 484757531 /nfs/dbraw/zinc/75/75/31/484757531.db2.gz GQJJRYBOFAIBSP-RLFYNMQTSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622026191 484756762 /nfs/dbraw/zinc/75/67/62/484756762.db2.gz GQJJRYBOFAIBSP-RVKKMQEKSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622026192 484757079 /nfs/dbraw/zinc/75/70/79/484757079.db2.gz GQJJRYBOFAIBSP-VKJFTORMSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622027602 484758264 /nfs/dbraw/zinc/75/82/64/484758264.db2.gz FDFPXGYASFOHFA-CRAIPNDOSA-N 1 3 351.495 -0.578 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622027603 484758793 /nfs/dbraw/zinc/75/87/93/484758793.db2.gz FDFPXGYASFOHFA-MAUKXSAKSA-N 1 3 351.495 -0.578 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622027604 484758339 /nfs/dbraw/zinc/75/83/39/484758339.db2.gz FDFPXGYASFOHFA-QAPCUYQASA-N 1 3 351.495 -0.578 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622027605 484759171 /nfs/dbraw/zinc/75/91/71/484759171.db2.gz FDFPXGYASFOHFA-YJBOKZPZSA-N 1 3 351.495 -0.578 20 0 FBADHO CN(C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028202 484758864 /nfs/dbraw/zinc/75/88/64/484758864.db2.gz NSMCMJNLMBXOPG-KBXCAEBGSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C)CCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028203 484759153 /nfs/dbraw/zinc/75/91/53/484759153.db2.gz NSMCMJNLMBXOPG-KDOFPFPSSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028204 484758561 /nfs/dbraw/zinc/75/85/61/484758561.db2.gz NSMCMJNLMBXOPG-KSSFIOAISA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C)CCOC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028205 484758216 /nfs/dbraw/zinc/75/82/16/484758216.db2.gz NSMCMJNLMBXOPG-RDTXWAMCSA-N 1 3 352.479 -0.105 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)CC2)C1 ZINC000622028295 484759038 /nfs/dbraw/zinc/75/90/38/484759038.db2.gz OZWHFZVTIQNZGX-BXWFABGCSA-N 1 3 363.506 -0.435 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)CC2)C1 ZINC000622028296 484758773 /nfs/dbraw/zinc/75/87/73/484758773.db2.gz OZWHFZVTIQNZGX-GJYPPUQNSA-N 1 3 363.506 -0.435 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)CC2)C1 ZINC000622028297 484758647 /nfs/dbraw/zinc/75/86/47/484758647.db2.gz OZWHFZVTIQNZGX-JTDSTZFVSA-N 1 3 363.506 -0.435 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)CC2)C1 ZINC000622028298 484758584 /nfs/dbraw/zinc/75/85/84/484758584.db2.gz OZWHFZVTIQNZGX-TXPKVOOTSA-N 1 3 363.506 -0.435 20 0 FBADHO CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623857650 483839239 /nfs/dbraw/zinc/83/92/39/483839239.db2.gz STJGIXLUYXVHPU-UHFFFAOYSA-N 1 3 350.471 -0.239 20 0 FBADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623882734 484837926 /nfs/dbraw/zinc/83/79/26/484837926.db2.gz GSBKTPNMOZYQJY-UHFFFAOYSA-N 1 3 350.471 -0.383 20 0 FBADHO Nc1nc(N)nc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000623902119 484839645 /nfs/dbraw/zinc/83/96/45/484839645.db2.gz AYTWYRACKURDPD-UHFFFAOYSA-N 1 3 362.482 -0.095 20 0 FBADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3nc(N)nc(N)n3)c2)C1 ZINC000623955400 484840784 /nfs/dbraw/zinc/84/07/84/484840784.db2.gz ZAYLEXLFWWVJQO-CYBMUJFWSA-N 1 3 356.434 -0.572 20 0 FBADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3nc(N)nc(N)n3)c2)C1 ZINC000623955400 484840782 /nfs/dbraw/zinc/84/07/82/484840782.db2.gz ZAYLEXLFWWVJQO-CYBMUJFWSA-N 1 3 356.434 -0.572 20 0 FBADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3nc(N)nc(N)n3)c2)C1 ZINC000623955401 484840592 /nfs/dbraw/zinc/84/05/92/484840592.db2.gz ZAYLEXLFWWVJQO-ZDUSSCGKSA-N 1 3 356.434 -0.572 20 0 FBADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3nc(N)nc(N)n3)c2)C1 ZINC000623955401 484840589 /nfs/dbraw/zinc/84/05/89/484840589.db2.gz ZAYLEXLFWWVJQO-ZDUSSCGKSA-N 1 3 356.434 -0.572 20 0 FBADHO C[NH+](C)CCOc1ccccc1N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623985916 484845182 /nfs/dbraw/zinc/84/51/82/484845182.db2.gz GWJNEUFZSFLQQL-UHFFFAOYSA-N 1 3 358.450 -0.036 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1([NH3+])CCOCC1 ZINC000624388504 483695205 /nfs/dbraw/zinc/69/52/05/483695205.db2.gz ZNJVDMHKTVXLFV-UHFFFAOYSA-N 1 3 359.496 -0.152 20 0 FBADHO C[NH2+]CCOCCN(C)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000624398130 483696265 /nfs/dbraw/zinc/69/62/65/483696265.db2.gz YCBGUDRSWJIBGP-UHFFFAOYSA-N 1 3 361.512 -0.082 20 0 FBADHO Cc1c(NCCN2CC[C@@H](O)C2)ncnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624677824 484200420 /nfs/dbraw/zinc/20/04/20/484200420.db2.gz FMFXUMQFKAMSFP-HUUCEWRRSA-N 1 3 350.467 -0.258 20 0 FBADHO Cc1c(NCCN2CC[C@@H](O)C2)ncnc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624677824 484200414 /nfs/dbraw/zinc/20/04/14/484200414.db2.gz FMFXUMQFKAMSFP-HUUCEWRRSA-N 1 3 350.467 -0.258 20 0 FBADHO Cc1c(NCCN2CC[C@H](O)C2)ncnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624775773 484200047 /nfs/dbraw/zinc/20/00/47/484200047.db2.gz FMFXUMQFKAMSFP-GJZGRUSLSA-N 1 3 350.467 -0.258 20 0 FBADHO Cc1c(NCCN2CC[C@H](O)C2)ncnc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624775773 484200040 /nfs/dbraw/zinc/20/00/40/484200040.db2.gz FMFXUMQFKAMSFP-GJZGRUSLSA-N 1 3 350.467 -0.258 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625024149 483451177 /nfs/dbraw/zinc/45/11/77/483451177.db2.gz IMSIGNZHEQKPFV-AWEZNQCLSA-N 1 3 353.467 -0.245 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625024149 483451174 /nfs/dbraw/zinc/45/11/74/483451174.db2.gz IMSIGNZHEQKPFV-AWEZNQCLSA-N 1 3 353.467 -0.245 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625024162 483451224 /nfs/dbraw/zinc/45/12/24/483451224.db2.gz IMSIGNZHEQKPFV-CQSZACIVSA-N 1 3 353.467 -0.245 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625024162 483451220 /nfs/dbraw/zinc/45/12/20/483451220.db2.gz IMSIGNZHEQKPFV-CQSZACIVSA-N 1 3 353.467 -0.245 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625286525 483533599 /nfs/dbraw/zinc/53/35/99/483533599.db2.gz HXEXUGAJCGGAID-AWEZNQCLSA-N 1 3 350.467 -0.275 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625286527 483533574 /nfs/dbraw/zinc/53/35/74/483533574.db2.gz HXEXUGAJCGGAID-CQSZACIVSA-N 1 3 350.467 -0.275 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(N2CCOCC2)n1 ZINC000625286531 483533414 /nfs/dbraw/zinc/53/34/14/483533414.db2.gz HZTFEAOHSNHAPH-UHFFFAOYSA-N 1 3 350.467 -0.121 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000625464760 483708536 /nfs/dbraw/zinc/70/85/36/483708536.db2.gz CAORTPANUIVBNS-MAUKXSAKSA-N 1 3 354.495 -0.441 20 0 FBADHO COC[C@]1(C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000625465539 483708903 /nfs/dbraw/zinc/70/89/03/483708903.db2.gz IBLWWEGZOFSEKS-KRWDZBQOSA-N 1 3 358.483 -0.798 20 0 FBADHO COC[C@@]1(C)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000625465540 483708936 /nfs/dbraw/zinc/70/89/36/483708936.db2.gz IBLWWEGZOFSEKS-QGZVFWFLSA-N 1 3 358.483 -0.798 20 0 FBADHO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626810800 485177029 /nfs/dbraw/zinc/17/70/29/485177029.db2.gz OGGGGFNGVSHBDU-KRWDZBQOSA-N 1 3 350.419 -0.464 20 0 FBADHO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626810801 485176760 /nfs/dbraw/zinc/17/67/60/485176760.db2.gz OGGGGFNGVSHBDU-QGZVFWFLSA-N 1 3 350.419 -0.464 20 0 FBADHO CCN(CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000626814876 485178434 /nfs/dbraw/zinc/17/84/34/485178434.db2.gz UWIDTVBKUAWSJA-UHFFFAOYSA-N 1 3 350.419 -0.463 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626818353 485185178 /nfs/dbraw/zinc/18/51/78/485185178.db2.gz HUTUROWVZHUZJP-UHFFFAOYSA-N 1 3 350.419 -0.199 20 0 FBADHO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000626819314 485185818 /nfs/dbraw/zinc/18/58/18/485185818.db2.gz QRBWRACAIRYPCZ-UHFFFAOYSA-N 1 3 350.419 -0.151 20 0 FBADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000626854487 485279029 /nfs/dbraw/zinc/27/90/29/485279029.db2.gz NRJCQTLTOYIOFE-UHFFFAOYSA-N 1 3 363.418 -0.098 20 0 FBADHO CN(C)CCn1c2cc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)ccc2oc1=O ZINC000626912484 485322287 /nfs/dbraw/zinc/32/22/87/485322287.db2.gz AVDDLBNJZYZQTP-GFCCVEGCSA-N 1 3 361.402 -0.427 20 0 FBADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1COCCN1 ZINC000626958261 483886660 /nfs/dbraw/zinc/88/66/60/483886660.db2.gz HLDHHCXIUMEJQC-INIZCTEOSA-N 1 3 362.478 -0.119 20 0 FBADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1COCCN1 ZINC000626958262 483886630 /nfs/dbraw/zinc/88/66/30/483886630.db2.gz HLDHHCXIUMEJQC-MRXNPFEDSA-N 1 3 362.478 -0.119 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626964157 484213761 /nfs/dbraw/zinc/21/37/61/484213761.db2.gz NDYVKHYKXKPLEC-AWEZNQCLSA-N 1 3 355.483 -0.264 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626964158 484211802 /nfs/dbraw/zinc/21/18/02/484211802.db2.gz NDYVKHYKXKPLEC-CQSZACIVSA-N 1 3 355.483 -0.264 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626964195 484214909 /nfs/dbraw/zinc/21/49/09/484214909.db2.gz OFLXXHCDTJORPY-AWEZNQCLSA-N 1 3 355.483 -0.264 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626964196 484214991 /nfs/dbraw/zinc/21/49/91/484214991.db2.gz OFLXXHCDTJORPY-CQSZACIVSA-N 1 3 355.483 -0.264 20 0 FBADHO C[NH2+]CCOCCN(C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000626974592 484218793 /nfs/dbraw/zinc/21/87/93/484218793.db2.gz SYAZMRBYTVIWNQ-UHFFFAOYSA-N 1 3 357.499 -0.194 20 0 FBADHO [NH3+]C1(CNC(=O)NCC(=O)NCCN2CCCCCC2)CCOCC1 ZINC000627148598 484360302 /nfs/dbraw/zinc/36/03/02/484360302.db2.gz FNPBDKVQRCOCBO-UHFFFAOYSA-N 1 3 355.483 -0.214 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627152422 484362225 /nfs/dbraw/zinc/36/22/25/484362225.db2.gz WZBYNXBMXVVDCF-AWEZNQCLSA-N 1 3 353.467 -0.558 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627152423 484361768 /nfs/dbraw/zinc/36/17/68/484361768.db2.gz WZBYNXBMXVVDCF-CQSZACIVSA-N 1 3 353.467 -0.558 20 0 FBADHO CC(C)C[C@H](NC(=O)NCC1([NH3+])CCOCC1)C(=O)NCCN(C)C ZINC000627152543 484362683 /nfs/dbraw/zinc/36/26/83/484362683.db2.gz YUSYNNHAPHXXMZ-AWEZNQCLSA-N 1 3 357.499 -0.114 20 0 FBADHO [NH3+]C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC000627153746 484362147 /nfs/dbraw/zinc/36/21/47/484362147.db2.gz LECRXPIYIJDSPK-UHFFFAOYSA-N 1 3 353.467 -0.556 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627153971 484362245 /nfs/dbraw/zinc/36/22/45/484362245.db2.gz QWYDUZCEEDNPQD-UHFFFAOYSA-N 1 3 355.483 -0.310 20 0 FBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627287666 484474057 /nfs/dbraw/zinc/47/40/57/484474057.db2.gz CAOOYIYOAXVTAN-DZGCQCFKSA-N 1 3 367.494 -0.698 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627287667 484473813 /nfs/dbraw/zinc/47/38/13/484473813.db2.gz CAOOYIYOAXVTAN-HIFRSBDPSA-N 1 3 367.494 -0.698 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627287668 484474348 /nfs/dbraw/zinc/47/43/48/484474348.db2.gz CAOOYIYOAXVTAN-UKRRQHHQSA-N 1 3 367.494 -0.698 20 0 FBADHO C[C@H]1CC[C@H](NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[NH2+]1 ZINC000627287669 484473990 /nfs/dbraw/zinc/47/39/90/484473990.db2.gz CAOOYIYOAXVTAN-ZFWWWQNUSA-N 1 3 367.494 -0.698 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000627287727 484474274 /nfs/dbraw/zinc/47/42/74/484474274.db2.gz DIMKUXIWZZXEKZ-LSDHHAIUSA-N 1 3 367.494 -0.698 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000627291835 484494202 /nfs/dbraw/zinc/49/42/02/484494202.db2.gz GJGOFGBXNIFSLF-INIZCTEOSA-N 1 3 362.474 -0.100 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000627291836 484494462 /nfs/dbraw/zinc/49/44/62/484494462.db2.gz GJGOFGBXNIFSLF-MRXNPFEDSA-N 1 3 362.474 -0.100 20 0 FBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627292651 484500907 /nfs/dbraw/zinc/50/09/07/484500907.db2.gz ABXHYCKDRAMQER-INIZCTEOSA-N 1 3 362.474 -0.100 20 0 FBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627292652 484501089 /nfs/dbraw/zinc/50/10/89/484501089.db2.gz ABXHYCKDRAMQER-MRXNPFEDSA-N 1 3 362.474 -0.100 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000627296777 484502411 /nfs/dbraw/zinc/50/24/11/484502411.db2.gz SFASIFRDMKPAAL-IAOVAPTHSA-N 1 3 360.458 -0.264 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000627296778 484502104 /nfs/dbraw/zinc/50/21/04/484502104.db2.gz SFASIFRDMKPAAL-RRQGHBQHSA-N 1 3 360.458 -0.264 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627302779 484582779 /nfs/dbraw/zinc/58/27/79/484582779.db2.gz XNJOFIJYQFLNEB-HDICACEKSA-N 1 3 352.479 -0.329 20 0 FBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C[NH2+]1 ZINC000627305690 484612579 /nfs/dbraw/zinc/61/25/79/484612579.db2.gz FCVLIIPMUGPFKT-DZGCQCFKSA-N 1 3 363.462 -0.105 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C[NH2+]1 ZINC000627305691 484612994 /nfs/dbraw/zinc/61/29/94/484612994.db2.gz FCVLIIPMUGPFKT-HIFRSBDPSA-N 1 3 363.462 -0.105 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C[NH2+]1 ZINC000627305692 484612434 /nfs/dbraw/zinc/61/24/34/484612434.db2.gz FCVLIIPMUGPFKT-UKRRQHHQSA-N 1 3 363.462 -0.105 20 0 FBADHO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)C[NH2+]1 ZINC000627305693 484613213 /nfs/dbraw/zinc/61/32/13/484613213.db2.gz FCVLIIPMUGPFKT-ZFWWWQNUSA-N 1 3 363.462 -0.105 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000627306099 484612937 /nfs/dbraw/zinc/61/29/37/484612937.db2.gz PPTTXKJAIPUVBD-LSDHHAIUSA-N 1 3 363.462 -0.105 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000627313681 484655646 /nfs/dbraw/zinc/65/56/46/484655646.db2.gz KNKIURLIBCDIOZ-CWRNSKLLSA-N 1 3 351.495 -0.472 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000627313682 484655914 /nfs/dbraw/zinc/65/59/14/484655914.db2.gz KNKIURLIBCDIOZ-VNQPRFMTSA-N 1 3 351.495 -0.472 20 0 FBADHO CN1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313877 484655857 /nfs/dbraw/zinc/65/58/57/484655857.db2.gz OHEONFTTZUQTGW-GDBMZVCRSA-N 1 3 363.506 -0.328 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313878 484655363 /nfs/dbraw/zinc/65/53/63/484655363.db2.gz OHEONFTTZUQTGW-GOEBONIOSA-N 1 3 363.506 -0.328 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313879 484656215 /nfs/dbraw/zinc/65/62/15/484656215.db2.gz OHEONFTTZUQTGW-HOCLYGCPSA-N 1 3 363.506 -0.328 20 0 FBADHO CN1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000627313880 484656374 /nfs/dbraw/zinc/65/63/74/484656374.db2.gz OHEONFTTZUQTGW-ZBFHGGJFSA-N 1 3 363.506 -0.328 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314064 484657173 /nfs/dbraw/zinc/65/71/73/484657173.db2.gz SZUDVEXXSWEVSL-DOTOQJQBSA-N 1 3 365.522 -0.273 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314065 484658284 /nfs/dbraw/zinc/65/82/84/484658284.db2.gz SZUDVEXXSWEVSL-NVXWUHKLSA-N 1 3 365.522 -0.273 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314066 484657528 /nfs/dbraw/zinc/65/75/28/484657528.db2.gz SZUDVEXXSWEVSL-RDJZCZTQSA-N 1 3 365.522 -0.273 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314067 484658170 /nfs/dbraw/zinc/65/81/70/484658170.db2.gz SZUDVEXXSWEVSL-WBVHZDCISA-N 1 3 365.522 -0.273 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1(C)C ZINC000627334105 484706979 /nfs/dbraw/zinc/70/69/79/484706979.db2.gz GJSYYJIXNWZPHR-KDURUIRLSA-N 1 3 365.522 -0.413 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000627334266 484706789 /nfs/dbraw/zinc/70/67/89/484706789.db2.gz LNTXNOBJTQTJET-AWEZNQCLSA-N 1 3 351.495 -0.471 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000627334267 484705333 /nfs/dbraw/zinc/70/53/33/484705333.db2.gz LNTXNOBJTQTJET-CQSZACIVSA-N 1 3 351.495 -0.471 20 0 FBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000627338316 484735434 /nfs/dbraw/zinc/73/54/34/484735434.db2.gz BKLHAMGFQCGEDM-OAHLLOKOSA-N 1 3 361.446 -0.928 20 0 FBADHO CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000627338518 484734781 /nfs/dbraw/zinc/73/47/81/484734781.db2.gz IZCRSLKMFZJSDN-UHFFFAOYSA-N 1 3 363.462 -0.599 20 0 FBADHO CN(C)CCN1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627338636 484734827 /nfs/dbraw/zinc/73/48/27/484734827.db2.gz LVTNVOGNDOJOCZ-KDURUIRLSA-N 1 3 365.522 -0.413 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000627338772 484735081 /nfs/dbraw/zinc/73/50/81/484735081.db2.gz PYUAJWZUTLAHMX-INIZCTEOSA-N 1 3 353.511 -0.415 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000627338773 484734993 /nfs/dbraw/zinc/73/49/93/484734993.db2.gz PYUAJWZUTLAHMX-MRXNPFEDSA-N 1 3 353.511 -0.415 20 0 FBADHO CN(C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627338808 484735026 /nfs/dbraw/zinc/73/50/26/484735026.db2.gz QSVIYCFFCYQSGF-HNNXBMFYSA-N 1 3 351.495 -0.471 20 0 FBADHO CN(C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627338809 484735388 /nfs/dbraw/zinc/73/53/88/484735388.db2.gz QSVIYCFFCYQSGF-OAHLLOKOSA-N 1 3 351.495 -0.471 20 0 FBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627352752 484777467 /nfs/dbraw/zinc/77/74/67/484777467.db2.gz HWCCMYSFYGSQLW-OAHLLOKOSA-N 1 3 360.462 -0.812 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000627352760 484777430 /nfs/dbraw/zinc/77/74/30/484777430.db2.gz IECZULHVWTYEGV-DOTOQJQBSA-N 1 3 374.489 -0.424 20 0 FBADHO C[NH2+]CCOCCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000627353808 484835063 /nfs/dbraw/zinc/83/50/63/484835063.db2.gz LEVOBFCDKSNPEO-UHFFFAOYSA-N 1 3 362.474 -0.446 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)Cc2ccccc2C1 ZINC000627354033 484839879 /nfs/dbraw/zinc/83/98/79/484839879.db2.gz QGYCHIREZVVHLF-UHFFFAOYSA-N 1 3 374.485 -0.174 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)NCCOCCC[NH3+])Cc2ccccc2C1 ZINC000627354238 484839448 /nfs/dbraw/zinc/83/94/48/484839448.db2.gz WEPFNPJBBQUXCC-UHFFFAOYSA-N 1 3 362.474 -0.317 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N(C)CCOCC[NH3+])Cc2ccccc2C1 ZINC000627354254 484839488 /nfs/dbraw/zinc/83/94/88/484839488.db2.gz WXMQELJKBSXCAS-UHFFFAOYSA-N 1 3 362.474 -0.365 20 0 FBADHO CN(CCOCC[NH3+])C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000627357720 483867748 /nfs/dbraw/zinc/86/77/48/483867748.db2.gz OAHYHGRFXBCLOD-UHFFFAOYSA-N 1 3 362.474 -0.015 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627363956 484883768 /nfs/dbraw/zinc/88/37/68/484883768.db2.gz BVNRAXYFDPEMQG-CVEARBPZSA-N 1 3 353.511 -0.223 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627363957 484884106 /nfs/dbraw/zinc/88/41/06/484884106.db2.gz BVNRAXYFDPEMQG-HOTGVXAUSA-N 1 3 353.511 -0.223 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627363958 484883061 /nfs/dbraw/zinc/88/30/61/484883061.db2.gz BVNRAXYFDPEMQG-HZPDHXFCSA-N 1 3 353.511 -0.223 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627363959 484883911 /nfs/dbraw/zinc/88/39/11/484883911.db2.gz BVNRAXYFDPEMQG-JKSUJKDBSA-N 1 3 353.511 -0.223 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627364044 484883202 /nfs/dbraw/zinc/88/32/02/484883202.db2.gz FRXKTXZBMSQZBQ-INIZCTEOSA-N 1 3 365.522 -0.079 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627364045 484883934 /nfs/dbraw/zinc/88/39/34/484883934.db2.gz FRXKTXZBMSQZBQ-MRXNPFEDSA-N 1 3 365.522 -0.079 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627364169 484883495 /nfs/dbraw/zinc/88/34/95/484883495.db2.gz ISZLNGAJNGASOI-KDURUIRLSA-N 1 3 365.522 -0.412 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000627364653 484885645 /nfs/dbraw/zinc/88/56/45/484885645.db2.gz UOIQXKJHOVRELC-INIZCTEOSA-N 1 3 353.511 -0.413 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000627364654 484885301 /nfs/dbraw/zinc/88/53/01/484885301.db2.gz UOIQXKJHOVRELC-MRXNPFEDSA-N 1 3 353.511 -0.413 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCCN1CCN(CC)CC1 ZINC000627364748 484062870 /nfs/dbraw/zinc/06/28/70/484062870.db2.gz WLRRYRUGZOMGNJ-JKSUJKDBSA-N 1 3 353.511 -0.223 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365986 484884961 /nfs/dbraw/zinc/88/49/61/484884961.db2.gz DTTCAEKDQTYQBQ-ILXRZTDVSA-N 1 3 367.494 -0.698 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365987 484885370 /nfs/dbraw/zinc/88/53/70/484885370.db2.gz DTTCAEKDQTYQBQ-KFWWJZLASA-N 1 3 367.494 -0.698 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365988 484885476 /nfs/dbraw/zinc/88/54/76/484885476.db2.gz DTTCAEKDQTYQBQ-QLFBSQMISA-N 1 3 367.494 -0.698 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[NH2+]1 ZINC000627365989 484885624 /nfs/dbraw/zinc/88/56/24/484885624.db2.gz DTTCAEKDQTYQBQ-RBSFLKMASA-N 1 3 367.494 -0.698 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000627366593 484885517 /nfs/dbraw/zinc/88/55/17/484885517.db2.gz VWOJMNQUMKGAQR-RRFJBIMHSA-N 1 3 367.494 -0.698 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000627366594 484885006 /nfs/dbraw/zinc/88/50/06/484885006.db2.gz VWOJMNQUMKGAQR-ZNMIVQPWSA-N 1 3 367.494 -0.698 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCSC1 ZINC000627370597 483461931 /nfs/dbraw/zinc/46/19/31/483461931.db2.gz FPQJQFXMQMEBNK-BBWFWOEESA-N 1 3 354.520 -0.002 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCSC1 ZINC000627370598 483461984 /nfs/dbraw/zinc/46/19/84/483461984.db2.gz FPQJQFXMQMEBNK-IXDOHACOSA-N 1 3 354.520 -0.002 20 0 FBADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627373175 484887064 /nfs/dbraw/zinc/88/70/64/484887064.db2.gz JVEWLLKSHPIPBR-MRXNPFEDSA-N 1 3 360.458 -0.262 20 0 FBADHO C[NH2+]CCOCCNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627381072 483861532 /nfs/dbraw/zinc/86/15/32/483861532.db2.gz HSOKZYZVOKHLEZ-UHFFFAOYSA-N 1 3 363.462 -0.234 20 0 FBADHO [NH3+]CCCOCCNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627381178 484888189 /nfs/dbraw/zinc/88/81/89/484888189.db2.gz KOSYDSDBDNFEJV-UHFFFAOYSA-N 1 3 363.462 -0.104 20 0 FBADHO CN(CCOCC[NH3+])C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627381410 484888711 /nfs/dbraw/zinc/88/87/11/484888711.db2.gz QUYTUKPTNGSAIA-UHFFFAOYSA-N 1 3 363.462 -0.152 20 0 FBADHO [NH3+]CCCOCCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000627385416 484889657 /nfs/dbraw/zinc/88/96/57/484889657.db2.gz KGWQZHRVWVSWTJ-UHFFFAOYSA-N 1 3 356.467 -0.771 20 0 FBADHO C[NH2+]CCOCCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000627385512 484889755 /nfs/dbraw/zinc/88/97/55/484889755.db2.gz NFBWSUSCLWWOEH-UHFFFAOYSA-N 1 3 356.467 -0.900 20 0 FBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000627385536 484889385 /nfs/dbraw/zinc/88/93/85/484889385.db2.gz NRAHATWPMXBQSV-UHFFFAOYSA-N 1 3 370.494 -0.558 20 0 FBADHO CN(CCOCC[NH3+])C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000627385550 484889832 /nfs/dbraw/zinc/88/98/32/484889832.db2.gz OIWDXHFFAGCCFI-UHFFFAOYSA-N 1 3 356.467 -0.819 20 0 FBADHO O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627388484 484891037 /nfs/dbraw/zinc/89/10/37/484891037.db2.gz WWZPFLUSOGMCAX-MRXNPFEDSA-N 1 3 360.458 -0.262 20 0 FBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627392829 485031981 /nfs/dbraw/zinc/03/19/81/485031981.db2.gz GVIVCIIBUNDUIB-UHFFFAOYSA-N 1 3 358.483 -0.574 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627393738 484893267 /nfs/dbraw/zinc/89/32/67/484893267.db2.gz JDNINWQTRBNZHG-NEPJUHHUSA-N 1 3 368.400 -0.334 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627393739 484893084 /nfs/dbraw/zinc/89/30/84/484893084.db2.gz JDNINWQTRBNZHG-NWDGAFQWSA-N 1 3 368.400 -0.334 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627393740 484893109 /nfs/dbraw/zinc/89/31/09/484893109.db2.gz JDNINWQTRBNZHG-RYUDHWBXSA-N 1 3 368.400 -0.334 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627393741 484893162 /nfs/dbraw/zinc/89/31/62/484893162.db2.gz JDNINWQTRBNZHG-VXGBXAGGSA-N 1 3 368.400 -0.334 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000627398083 484894319 /nfs/dbraw/zinc/89/43/19/484894319.db2.gz CMRIDYLEHUHMQK-CVEARBPZSA-N 1 3 353.511 -0.558 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000627398084 484893788 /nfs/dbraw/zinc/89/37/88/484893788.db2.gz CMRIDYLEHUHMQK-HOTGVXAUSA-N 1 3 353.511 -0.558 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000627398085 484894056 /nfs/dbraw/zinc/89/40/56/484894056.db2.gz CMRIDYLEHUHMQK-HZPDHXFCSA-N 1 3 353.511 -0.558 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000627398086 484894691 /nfs/dbraw/zinc/89/46/91/484894691.db2.gz CMRIDYLEHUHMQK-JKSUJKDBSA-N 1 3 353.511 -0.558 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627398173 484893759 /nfs/dbraw/zinc/89/37/59/484893759.db2.gz GFAFPMHNOBQWRL-BZUAXINKSA-N 1 3 353.511 -0.367 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627398174 484078173 /nfs/dbraw/zinc/07/81/73/484078173.db2.gz GFAFPMHNOBQWRL-OAGGEKHMSA-N 1 3 353.511 -0.367 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627398175 484078087 /nfs/dbraw/zinc/07/80/87/484078087.db2.gz GFAFPMHNOBQWRL-OWCLPIDISA-N 1 3 353.511 -0.367 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627398176 484078343 /nfs/dbraw/zinc/07/83/43/484078343.db2.gz GFAFPMHNOBQWRL-PMPSAXMXSA-N 1 3 353.511 -0.367 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CN1CCN(C)CC1 ZINC000627398468 484131148 /nfs/dbraw/zinc/13/11/48/484131148.db2.gz NSSNDCLKFKWZNO-LZQZEXGQSA-N 1 3 365.522 -0.556 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CN1CCN(C)CC1 ZINC000627398469 484132180 /nfs/dbraw/zinc/13/21/80/484132180.db2.gz NSSNDCLKFKWZNO-ZYSHUDEJSA-N 1 3 365.522 -0.556 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)CN1CCN(C)CC1 ZINC000627398654 484894948 /nfs/dbraw/zinc/89/49/48/484894948.db2.gz SWOFMKOFFFFQTL-CABCVRRESA-N 1 3 351.495 -0.613 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)CN1CCN(C)CC1 ZINC000627398655 484894420 /nfs/dbraw/zinc/89/44/20/484894420.db2.gz SWOFMKOFFFFQTL-GJZGRUSLSA-N 1 3 351.495 -0.613 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)CN1CCN(C)CC1 ZINC000627398656 484893997 /nfs/dbraw/zinc/89/39/97/484893997.db2.gz SWOFMKOFFFFQTL-HUUCEWRRSA-N 1 3 351.495 -0.613 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)CN1CCN(C)CC1 ZINC000627398657 484137505 /nfs/dbraw/zinc/13/75/05/484137505.db2.gz SWOFMKOFFFFQTL-LSDHHAIUSA-N 1 3 351.495 -0.613 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000627398713 484893937 /nfs/dbraw/zinc/89/39/37/484893937.db2.gz VAJUJQBZTAKFTI-HRCADAONSA-N 1 3 353.511 -0.367 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000627398714 484894221 /nfs/dbraw/zinc/89/42/21/484894221.db2.gz VAJUJQBZTAKFTI-OWCLPIDISA-N 1 3 353.511 -0.367 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCNC[C@@H]2C(C)C)CC1 ZINC000627398777 484894378 /nfs/dbraw/zinc/89/43/78/484894378.db2.gz WNKJXRFOCMWDHP-DLBZAZTESA-N 1 3 367.538 -0.167 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCNC[C@@H]2C(C)C)CC1 ZINC000627398778 484894647 /nfs/dbraw/zinc/89/46/47/484894647.db2.gz WNKJXRFOCMWDHP-IAGOWNOFSA-N 1 3 367.538 -0.167 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCNC[C@H]2C(C)C)CC1 ZINC000627398779 484894409 /nfs/dbraw/zinc/89/44/09/484894409.db2.gz WNKJXRFOCMWDHP-IRXDYDNUSA-N 1 3 367.538 -0.167 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCNC[C@H]2C(C)C)CC1 ZINC000627398780 484894908 /nfs/dbraw/zinc/89/49/08/484894908.db2.gz WNKJXRFOCMWDHP-SJORKVTESA-N 1 3 367.538 -0.167 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398924 484894611 /nfs/dbraw/zinc/89/46/11/484894611.db2.gz ZIYOLZZVYSZYES-CVEARBPZSA-N 1 3 365.522 -0.223 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398925 484894012 /nfs/dbraw/zinc/89/40/12/484894012.db2.gz ZIYOLZZVYSZYES-HOTGVXAUSA-N 1 3 365.522 -0.223 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398926 484894790 /nfs/dbraw/zinc/89/47/90/484894790.db2.gz ZIYOLZZVYSZYES-HZPDHXFCSA-N 1 3 365.522 -0.223 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627398927 484895006 /nfs/dbraw/zinc/89/50/06/484895006.db2.gz ZIYOLZZVYSZYES-JKSUJKDBSA-N 1 3 365.522 -0.223 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000627400255 484894830 /nfs/dbraw/zinc/89/48/30/484894830.db2.gz NGFDZBACTCCYHX-HNNXBMFYSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000627400256 484893895 /nfs/dbraw/zinc/89/38/95/484893895.db2.gz NGFDZBACTCCYHX-OAHLLOKOSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000627400262 484894273 /nfs/dbraw/zinc/89/42/73/484894273.db2.gz NKAMXHBKDZPKTC-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000627402734 484895748 /nfs/dbraw/zinc/89/57/48/484895748.db2.gz PEZULPDLYRXXKD-HNNXBMFYSA-N 1 3 352.479 -0.057 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000627402735 484255033 /nfs/dbraw/zinc/25/50/33/484255033.db2.gz PEZULPDLYRXXKD-OAHLLOKOSA-N 1 3 352.479 -0.057 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000627406117 484895767 /nfs/dbraw/zinc/89/57/67/484895767.db2.gz WVTOUCJCQNRFSO-HNNXBMFYSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000627406118 484896427 /nfs/dbraw/zinc/89/64/27/484896427.db2.gz WVTOUCJCQNRFSO-OAHLLOKOSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000627406863 484896058 /nfs/dbraw/zinc/89/60/58/484896058.db2.gz VLTAJHIYBJBWGX-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000627412846 484897274 /nfs/dbraw/zinc/89/72/74/484897274.db2.gz VMPRCMDOOAOATK-HNNXBMFYSA-N 1 3 352.479 -0.057 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000627412847 484897034 /nfs/dbraw/zinc/89/70/34/484897034.db2.gz VMPRCMDOOAOATK-OAHLLOKOSA-N 1 3 352.479 -0.057 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000627419127 484898775 /nfs/dbraw/zinc/89/87/75/484898775.db2.gz MVUIXPMYDPQGRX-UHFFFAOYSA-N 1 3 370.494 -0.558 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000627421441 484900857 /nfs/dbraw/zinc/90/08/57/484900857.db2.gz JTCNWBYSTIWHQP-HNNXBMFYSA-N 1 3 368.478 -0.806 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000627421442 484900503 /nfs/dbraw/zinc/90/05/03/484900503.db2.gz JTCNWBYSTIWHQP-OAHLLOKOSA-N 1 3 368.478 -0.806 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000627428855 484548713 /nfs/dbraw/zinc/54/87/13/484548713.db2.gz QELCHQIXYWRQOX-UHFFFAOYSA-N 1 3 364.490 -0.042 20 0 FBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C2 ZINC000627429122 484901722 /nfs/dbraw/zinc/90/17/22/484901722.db2.gz YZWRSPQSCHVJNW-LZQZEXGQSA-N 1 3 364.490 -0.186 20 0 FBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC000627429123 484902171 /nfs/dbraw/zinc/90/21/71/484902171.db2.gz YZWRSPQSCHVJNW-ZYSHUDEJSA-N 1 3 364.490 -0.186 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627439102 484904820 /nfs/dbraw/zinc/90/48/20/484904820.db2.gz AGCXRZJDBHAZIP-HNNXBMFYSA-N 1 3 351.495 -0.517 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627439103 484904135 /nfs/dbraw/zinc/90/41/35/484904135.db2.gz AGCXRZJDBHAZIP-OAHLLOKOSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000627441778 484904594 /nfs/dbraw/zinc/90/45/94/484904594.db2.gz SOKMISHAJQJRHZ-CVEARBPZSA-N 1 3 363.506 -0.374 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000627441779 484905181 /nfs/dbraw/zinc/90/51/81/484905181.db2.gz SOKMISHAJQJRHZ-HOTGVXAUSA-N 1 3 363.506 -0.374 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000627441780 484905362 /nfs/dbraw/zinc/90/53/62/484905362.db2.gz SOKMISHAJQJRHZ-HZPDHXFCSA-N 1 3 363.506 -0.374 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)C1 ZINC000627441781 484904532 /nfs/dbraw/zinc/90/45/32/484904532.db2.gz SOKMISHAJQJRHZ-JKSUJKDBSA-N 1 3 363.506 -0.374 20 0 FBADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627442603 484906038 /nfs/dbraw/zinc/90/60/38/484906038.db2.gz NLLYBTTXWIIYGD-HNNXBMFYSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627442604 484905984 /nfs/dbraw/zinc/90/59/84/484905984.db2.gz NLLYBTTXWIIYGD-OAHLLOKOSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445167 484906452 /nfs/dbraw/zinc/90/64/52/484906452.db2.gz FZRCQFKJFOXENW-CABCVRRESA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445168 484905962 /nfs/dbraw/zinc/90/59/62/484905962.db2.gz FZRCQFKJFOXENW-GJZGRUSLSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445169 484906562 /nfs/dbraw/zinc/90/65/62/484906562.db2.gz FZRCQFKJFOXENW-HUUCEWRRSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445170 484905913 /nfs/dbraw/zinc/90/59/13/484905913.db2.gz FZRCQFKJFOXENW-LSDHHAIUSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453378 484908813 /nfs/dbraw/zinc/90/88/13/484908813.db2.gz LTXJRTCDXLCLQS-AWEZNQCLSA-N 1 3 356.467 -0.820 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453379 484909206 /nfs/dbraw/zinc/90/92/06/484909206.db2.gz LTXJRTCDXLCLQS-CQSZACIVSA-N 1 3 356.467 -0.820 20 0 FBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455323 484909089 /nfs/dbraw/zinc/90/90/89/484909089.db2.gz RZRJEDUEVSZOGP-UHFFFAOYSA-N 1 3 352.435 -0.206 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000627457678 484909855 /nfs/dbraw/zinc/90/98/55/484909855.db2.gz FPOAUCGIQGRUHO-UONOGXRCSA-N 1 3 361.446 -0.005 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000627458174 484909969 /nfs/dbraw/zinc/90/99/69/484909969.db2.gz XAXICZSCWMBPPM-MWDXBVQZSA-N 1 3 365.522 -0.273 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000627458175 484910825 /nfs/dbraw/zinc/91/08/25/484910825.db2.gz XAXICZSCWMBPPM-NXOAAHMSSA-N 1 3 365.522 -0.273 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000627458176 484909921 /nfs/dbraw/zinc/90/99/21/484909921.db2.gz XAXICZSCWMBPPM-TWMKSMIVSA-N 1 3 365.522 -0.273 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000627458177 484910555 /nfs/dbraw/zinc/91/05/55/484910555.db2.gz XAXICZSCWMBPPM-YYIAUSFCSA-N 1 3 365.522 -0.273 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000627458649 484910809 /nfs/dbraw/zinc/91/08/09/484910809.db2.gz LWDICMPWEKYGGL-LSDHHAIUSA-N 1 3 367.494 -0.744 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000627458804 484910399 /nfs/dbraw/zinc/91/03/99/484910399.db2.gz QPQMIWSBQSEOTC-DLBZAZTESA-N 1 3 365.522 -0.271 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000627459126 484910334 /nfs/dbraw/zinc/91/03/34/484910334.db2.gz AKYUUTUPYFVACV-RRFJBIMHSA-N 1 3 365.478 -0.992 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000627459127 484910182 /nfs/dbraw/zinc/91/01/82/484910182.db2.gz AKYUUTUPYFVACV-ZNMIVQPWSA-N 1 3 365.478 -0.992 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000627459643 484910541 /nfs/dbraw/zinc/91/05/41/484910541.db2.gz OCLHIVPHQUBHHO-LSDHHAIUSA-N 1 3 365.478 -0.990 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000627460410 484911527 /nfs/dbraw/zinc/91/15/27/484911527.db2.gz JKYMSHYYGSWSPT-HRCADAONSA-N 1 3 351.495 -0.519 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000627460411 484911377 /nfs/dbraw/zinc/91/13/77/484911377.db2.gz JKYMSHYYGSWSPT-OWCLPIDISA-N 1 3 351.495 -0.519 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627461340 484911545 /nfs/dbraw/zinc/91/15/45/484911545.db2.gz MUMBRSZPZLDBKZ-UHFFFAOYSA-N 1 3 370.494 -0.558 20 0 FBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000627462350 484911980 /nfs/dbraw/zinc/91/19/80/484911980.db2.gz RCNAIKFFDHYYOW-UHFFFAOYSA-N 1 3 365.434 -0.909 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C[NH2+]1 ZINC000627478407 484922971 /nfs/dbraw/zinc/92/29/71/484922971.db2.gz MKXXUCAPFNBSQG-NCOADZHNSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)C[NH2+]1 ZINC000627478408 484923359 /nfs/dbraw/zinc/92/33/59/484923359.db2.gz MKXXUCAPFNBSQG-VVLHAWIVSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)C[NH2+]1 ZINC000627478409 484923923 /nfs/dbraw/zinc/92/39/23/484923923.db2.gz MKXXUCAPFNBSQG-WCXIOVBPSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)C[NH2+]1 ZINC000627478410 484923819 /nfs/dbraw/zinc/92/38/19/484923819.db2.gz MKXXUCAPFNBSQG-YVSFHVDLSA-N 1 3 365.522 -0.273 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627478661 484923283 /nfs/dbraw/zinc/92/32/83/484923283.db2.gz QFEPOEWHVJWGIL-KBPBESRZSA-N 1 3 361.446 -0.005 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627478662 484923789 /nfs/dbraw/zinc/92/37/89/484923789.db2.gz QFEPOEWHVJWGIL-KGLIPLIRSA-N 1 3 361.446 -0.005 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627478663 484923840 /nfs/dbraw/zinc/92/38/40/484923840.db2.gz QFEPOEWHVJWGIL-UONOGXRCSA-N 1 3 361.446 -0.005 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627478664 484923020 /nfs/dbraw/zinc/92/30/20/484923020.db2.gz QFEPOEWHVJWGIL-ZIAGYGMSSA-N 1 3 361.446 -0.005 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]1 ZINC000627479453 484923721 /nfs/dbraw/zinc/92/37/21/484923721.db2.gz CCVSKUBJQODKEM-CABCVRRESA-N 1 3 365.478 -0.990 20 0 FBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]1 ZINC000627479454 484923076 /nfs/dbraw/zinc/92/30/76/484923076.db2.gz CCVSKUBJQODKEM-GJZGRUSLSA-N 1 3 365.478 -0.990 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]1 ZINC000627479455 484923937 /nfs/dbraw/zinc/92/39/37/484923937.db2.gz CCVSKUBJQODKEM-HUUCEWRRSA-N 1 3 365.478 -0.990 20 0 FBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]1 ZINC000627479456 484922844 /nfs/dbraw/zinc/92/28/44/484922844.db2.gz CCVSKUBJQODKEM-LSDHHAIUSA-N 1 3 365.478 -0.990 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627480575 484924932 /nfs/dbraw/zinc/92/49/32/484924932.db2.gz QVSHDEJWMDCGEF-CABCVRRESA-N 1 3 367.494 -0.744 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627480576 484924995 /nfs/dbraw/zinc/92/49/95/484924995.db2.gz QVSHDEJWMDCGEF-GJZGRUSLSA-N 1 3 367.494 -0.744 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627480577 484925272 /nfs/dbraw/zinc/92/52/72/484925272.db2.gz QVSHDEJWMDCGEF-HUUCEWRRSA-N 1 3 367.494 -0.744 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627480578 484925044 /nfs/dbraw/zinc/92/50/44/484925044.db2.gz QVSHDEJWMDCGEF-LSDHHAIUSA-N 1 3 367.494 -0.744 20 0 FBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627480825 484924431 /nfs/dbraw/zinc/92/44/31/484924431.db2.gz VGMOAJZSPMHOSL-DOTOQJQBSA-N 1 3 365.522 -0.271 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627480826 484924506 /nfs/dbraw/zinc/92/45/06/484924506.db2.gz VGMOAJZSPMHOSL-NVXWUHKLSA-N 1 3 365.522 -0.271 20 0 FBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627480827 484924757 /nfs/dbraw/zinc/92/47/57/484924757.db2.gz VGMOAJZSPMHOSL-RDJZCZTQSA-N 1 3 365.522 -0.271 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)C[NH2+]1 ZINC000627480828 484924331 /nfs/dbraw/zinc/92/43/31/484924331.db2.gz VGMOAJZSPMHOSL-WBVHZDCISA-N 1 3 365.522 -0.271 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[NH2+]1 ZINC000627480913 484924911 /nfs/dbraw/zinc/92/49/11/484924911.db2.gz WPJWYNOULGQBEZ-ILXRZTDVSA-N 1 3 365.478 -0.992 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[NH2+]1 ZINC000627480914 484924490 /nfs/dbraw/zinc/92/44/90/484924490.db2.gz WPJWYNOULGQBEZ-KFWWJZLASA-N 1 3 365.478 -0.992 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[NH2+]1 ZINC000627480915 484924875 /nfs/dbraw/zinc/92/48/75/484924875.db2.gz WPJWYNOULGQBEZ-QLFBSQMISA-N 1 3 365.478 -0.992 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[NH2+]1 ZINC000627480916 484925294 /nfs/dbraw/zinc/92/52/94/484925294.db2.gz WPJWYNOULGQBEZ-RBSFLKMASA-N 1 3 365.478 -0.992 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[NH2+]1 ZINC000627481536 484925246 /nfs/dbraw/zinc/92/52/46/484925246.db2.gz DYCPJUCFYKHORN-BZUAXINKSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[NH2+]1 ZINC000627481537 484924959 /nfs/dbraw/zinc/92/49/59/484924959.db2.gz DYCPJUCFYKHORN-OAGGEKHMSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[NH2+]1 ZINC000627481538 484924817 /nfs/dbraw/zinc/92/48/17/484924817.db2.gz DYCPJUCFYKHORN-OWCLPIDISA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[NH2+]1 ZINC000627481539 484925085 /nfs/dbraw/zinc/92/50/85/484925085.db2.gz DYCPJUCFYKHORN-PMPSAXMXSA-N 1 3 351.495 -0.519 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627488726 484929475 /nfs/dbraw/zinc/92/94/75/484929475.db2.gz HGOBTNOSRSEEHK-UHFFFAOYSA-N 1 3 365.434 -0.780 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627490195 484929686 /nfs/dbraw/zinc/92/96/86/484929686.db2.gz WSJHUNSJBMNTCV-UHFFFAOYSA-N 1 3 370.494 -0.429 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000627500152 484935254 /nfs/dbraw/zinc/93/52/54/484935254.db2.gz PTMVAHLTLFPBCV-JKSUJKDBSA-N 1 3 365.522 -0.271 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000627501787 484936795 /nfs/dbraw/zinc/93/67/95/484936795.db2.gz YBTZOBXOPXJCAF-GOEBONIOSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000627502003 484936992 /nfs/dbraw/zinc/93/69/92/484936992.db2.gz HBSQKAWFLQVGCS-CAOSSQGBSA-N 1 3 351.495 -0.663 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000627502004 484936279 /nfs/dbraw/zinc/93/62/79/484936279.db2.gz HBSQKAWFLQVGCS-JONQDZQNSA-N 1 3 351.495 -0.663 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000627502005 484936570 /nfs/dbraw/zinc/93/65/70/484936570.db2.gz HBSQKAWFLQVGCS-QKPAOTATSA-N 1 3 351.495 -0.663 20 0 FBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000627502006 484937109 /nfs/dbraw/zinc/93/71/09/484937109.db2.gz HBSQKAWFLQVGCS-QXSJWSMHSA-N 1 3 351.495 -0.663 20 0 FBADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)CC1 ZINC000627502137 484936589 /nfs/dbraw/zinc/93/65/89/484936589.db2.gz LTOBKHSAGRZDKR-DOTOQJQBSA-N 1 3 365.522 -0.130 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627503990 484936239 /nfs/dbraw/zinc/93/62/39/484936239.db2.gz NZUNVBWWSOEHJX-LSDHHAIUSA-N 1 3 352.479 -0.044 20 0 FBADHO CN1CCN(CC2(C)CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000627504711 484936120 /nfs/dbraw/zinc/93/61/20/484936120.db2.gz CGVDNMUWQDCDOH-OAHLLOKOSA-N 1 3 351.495 -0.659 20 0 FBADHO COc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnc1OC ZINC000627513888 484866192 /nfs/dbraw/zinc/86/61/92/484866192.db2.gz ZMIAPVIFGMOAPN-UHFFFAOYSA-N 1 3 367.450 -0.011 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(NS(C)(=O)=O)C3)CC2)CC1 ZINC000628796157 483944357 /nfs/dbraw/zinc/94/43/57/483944357.db2.gz HTHOAGDTPSXUJV-UHFFFAOYSA-N 1 3 372.535 -0.057 20 0 FBADHO C[NH2+]CCOCCN(C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000629571042 484385390 /nfs/dbraw/zinc/38/53/90/484385390.db2.gz OURQXOPYRDCZRL-UHFFFAOYSA-N 1 3 350.467 -0.317 20 0 FBADHO CCN(CCN)C(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000629795660 484436048 /nfs/dbraw/zinc/43/60/48/484436048.db2.gz ZXYCFNLGPGZGFB-HOTGVXAUSA-N 1 3 353.511 -0.189 20 0 FBADHO CCN(CCN)C(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000629795662 484436111 /nfs/dbraw/zinc/43/61/11/484436111.db2.gz ZXYCFNLGPGZGFB-HZPDHXFCSA-N 1 3 353.511 -0.189 20 0 FBADHO CCN(CCN)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629795665 484436148 /nfs/dbraw/zinc/43/61/48/484436148.db2.gz ZXYCFNLGPGZGFB-IYBDPMFKSA-N 1 3 353.511 -0.189 20 0 FBADHO CCN(CCN)C(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629795665 484436145 /nfs/dbraw/zinc/43/61/45/484436145.db2.gz ZXYCFNLGPGZGFB-IYBDPMFKSA-N 1 3 353.511 -0.189 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796112 484433795 /nfs/dbraw/zinc/43/37/95/484433795.db2.gz OQQDLMYLOQMITK-HDICACEKSA-N 1 3 353.511 -0.604 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796283 484435168 /nfs/dbraw/zinc/43/51/68/484435168.db2.gz ILIVXNNXBYWVKF-KDURUIRLSA-N 1 3 365.522 -0.460 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629800071 484437500 /nfs/dbraw/zinc/43/75/00/484437500.db2.gz XFKGDLAXFHTVRD-UHFFFAOYSA-N 1 3 365.434 -0.828 20 0 FBADHO CCN(CCN)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000629800995 484438471 /nfs/dbraw/zinc/43/84/71/484438471.db2.gz GCDMDOTUJWSLLA-XYPWUTKMSA-N 1 3 351.495 -0.437 20 0 FBADHO CCN(CCN)C(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000629800995 484438466 /nfs/dbraw/zinc/43/84/66/484438466.db2.gz GCDMDOTUJWSLLA-XYPWUTKMSA-N 1 3 351.495 -0.437 20 0 FBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000629801278 484438090 /nfs/dbraw/zinc/43/80/90/484438090.db2.gz JFUVAGNJNLMHJV-UHFFFAOYSA-N 1 3 353.511 -0.330 20 0 FBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000629801794 484438320 /nfs/dbraw/zinc/43/83/20/484438320.db2.gz IYIIYFIQTMDVCB-UHFFFAOYSA-N 1 3 353.511 -0.189 20 0 FBADHO CCN(CCN)C(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000629803164 484440169 /nfs/dbraw/zinc/44/01/69/484440169.db2.gz QYJRWSTYWGTUSW-UHFFFAOYSA-N 1 3 353.511 -0.189 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000629804913 484441228 /nfs/dbraw/zinc/44/12/28/484441228.db2.gz MXALPSKODWPCSW-HNNXBMFYSA-N 1 3 352.479 -0.090 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000629804914 484440903 /nfs/dbraw/zinc/44/09/03/484440903.db2.gz MXALPSKODWPCSW-OAHLLOKOSA-N 1 3 352.479 -0.090 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000629805764 484441094 /nfs/dbraw/zinc/44/10/94/484441094.db2.gz SFCSGKIBXFYGRP-UHFFFAOYSA-N 1 3 352.479 -0.088 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000629806774 484441020 /nfs/dbraw/zinc/44/10/20/484441020.db2.gz YNRXZTHEGKKPSB-HNNXBMFYSA-N 1 3 352.479 -0.103 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000629806776 484441035 /nfs/dbraw/zinc/44/10/35/484441035.db2.gz YNRXZTHEGKKPSB-OAHLLOKOSA-N 1 3 352.479 -0.103 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000629808421 484442116 /nfs/dbraw/zinc/44/21/16/484442116.db2.gz HMFNBZBDBTUJSU-HUUCEWRRSA-N 1 3 352.479 -0.105 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000629809985 484444207 /nfs/dbraw/zinc/44/42/07/484444207.db2.gz VZFXJWNQIAYQQI-IYBDPMFKSA-N 1 3 364.490 -0.232 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000629810115 484444271 /nfs/dbraw/zinc/44/42/71/484444271.db2.gz WNLRKRQOMOLDMW-HNNXBMFYSA-N 1 3 368.478 -0.724 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000629810116 484444351 /nfs/dbraw/zinc/44/43/51/484444351.db2.gz WNLRKRQOMOLDMW-OAHLLOKOSA-N 1 3 368.478 -0.724 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000629813384 484446714 /nfs/dbraw/zinc/44/67/14/484446714.db2.gz YKJFJHLYQYFNFV-KRWDZBQOSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000629813384 484446708 /nfs/dbraw/zinc/44/67/08/484446708.db2.gz YKJFJHLYQYFNFV-KRWDZBQOSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000629813384 484446705 /nfs/dbraw/zinc/44/67/05/484446705.db2.gz YKJFJHLYQYFNFV-KRWDZBQOSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000629813385 484447226 /nfs/dbraw/zinc/44/72/26/484447226.db2.gz YKJFJHLYQYFNFV-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000629813385 484447221 /nfs/dbraw/zinc/44/72/21/484447221.db2.gz YKJFJHLYQYFNFV-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000629813385 484447215 /nfs/dbraw/zinc/44/72/15/484447215.db2.gz YKJFJHLYQYFNFV-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000629815658 484445639 /nfs/dbraw/zinc/44/56/39/484445639.db2.gz RMHIVHSIXUHIEN-INIZCTEOSA-N 1 3 355.527 -0.215 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000629815658 484445632 /nfs/dbraw/zinc/44/56/32/484445632.db2.gz RMHIVHSIXUHIEN-INIZCTEOSA-N 1 3 355.527 -0.215 20 0 FBADHO CC(C)[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000629815658 484445629 /nfs/dbraw/zinc/44/56/29/484445629.db2.gz RMHIVHSIXUHIEN-INIZCTEOSA-N 1 3 355.527 -0.215 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000629815659 484445247 /nfs/dbraw/zinc/44/52/47/484445247.db2.gz RMHIVHSIXUHIEN-MRXNPFEDSA-N 1 3 355.527 -0.215 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000629815659 484445240 /nfs/dbraw/zinc/44/52/40/484445240.db2.gz RMHIVHSIXUHIEN-MRXNPFEDSA-N 1 3 355.527 -0.215 20 0 FBADHO CC(C)[C@H]1CNCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000629815659 484445230 /nfs/dbraw/zinc/44/52/30/484445230.db2.gz RMHIVHSIXUHIEN-MRXNPFEDSA-N 1 3 355.527 -0.215 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629820063 484448510 /nfs/dbraw/zinc/44/85/10/484448510.db2.gz VCUKIQKAAWWLCH-UHFFFAOYSA-N 1 3 370.494 -0.477 20 0 FBADHO C[NH+](C)CCN1C(=O)C[C@H](N2CCC(C)(N3CCOCC3)CC2)C1=O ZINC000630382301 484660405 /nfs/dbraw/zinc/66/04/05/484660405.db2.gz GSEATXVJWRZFBM-HNNXBMFYSA-N 1 3 352.479 -0.138 20 0 FBADHO C[NH+](C)CCN1C(=O)C[C@@H](N2CCC(C)(N3CCOCC3)CC2)C1=O ZINC000630382304 484660197 /nfs/dbraw/zinc/66/01/97/484660197.db2.gz GSEATXVJWRZFBM-OAHLLOKOSA-N 1 3 352.479 -0.138 20 0 FBADHO O=C(CN1CC[NH2+]CC1)NCc1cn(CCCN2CCSCC2)nn1 ZINC000630590211 484737658 /nfs/dbraw/zinc/73/76/58/484737658.db2.gz XSFKUPKGCJJENO-UHFFFAOYSA-N 1 3 367.523 -0.762 20 0 FBADHO CN(C)CCn1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000630897809 484333480 /nfs/dbraw/zinc/33/34/80/484333480.db2.gz KTOPOCWDYRCAIA-AWEZNQCLSA-N 1 3 350.467 -0.238 20 0 FBADHO CN(C)CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000630897809 484333474 /nfs/dbraw/zinc/33/34/74/484333474.db2.gz KTOPOCWDYRCAIA-AWEZNQCLSA-N 1 3 350.467 -0.238 20 0 FBADHO CN(C)CCn1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000630897811 484333697 /nfs/dbraw/zinc/33/36/97/484333697.db2.gz KTOPOCWDYRCAIA-CQSZACIVSA-N 1 3 350.467 -0.238 20 0 FBADHO CN(C)CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000630897811 484333689 /nfs/dbraw/zinc/33/36/89/484333689.db2.gz KTOPOCWDYRCAIA-CQSZACIVSA-N 1 3 350.467 -0.238 20 0 FBADHO C[NH+](C)CCn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000630922464 484362605 /nfs/dbraw/zinc/36/26/05/484362605.db2.gz PKZUNKMXPLFZQL-UHFFFAOYSA-N 1 3 362.478 -0.175 20 0 FBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000631827335 485022493 /nfs/dbraw/zinc/02/24/93/485022493.db2.gz LVLPECCCODMNST-CABCVRRESA-N 1 3 372.535 -0.152 20 0 FBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000631827336 485022537 /nfs/dbraw/zinc/02/25/37/485022537.db2.gz LVLPECCCODMNST-GJZGRUSLSA-N 1 3 372.535 -0.152 20 0 FBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000631827337 485025466 /nfs/dbraw/zinc/02/54/66/485025466.db2.gz LVLPECCCODMNST-HUUCEWRRSA-N 1 3 372.535 -0.152 20 0 FBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000631827338 485025350 /nfs/dbraw/zinc/02/53/50/485025350.db2.gz LVLPECCCODMNST-LSDHHAIUSA-N 1 3 372.535 -0.152 20 0 FBADHO C[C@H]1CC2(CN1CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC000631829266 485025308 /nfs/dbraw/zinc/02/53/08/485025308.db2.gz MFRSOSGBMKNKOP-AWEZNQCLSA-N 1 3 372.535 -0.009 20 0 FBADHO C[C@@H]1CC2(CN1CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC[NH2+]CC2 ZINC000631829267 485024211 /nfs/dbraw/zinc/02/42/11/485024211.db2.gz MFRSOSGBMKNKOP-CQSZACIVSA-N 1 3 372.535 -0.009 20 0 FBADHO NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631882620 485028748 /nfs/dbraw/zinc/02/87/48/485028748.db2.gz HNTUTMFZDAWXCW-HNNXBMFYSA-N 1 3 360.524 -0.021 20 0 FBADHO NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631882621 485027846 /nfs/dbraw/zinc/02/78/46/485027846.db2.gz HNTUTMFZDAWXCW-OAHLLOKOSA-N 1 3 360.524 -0.021 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631887550 485028675 /nfs/dbraw/zinc/02/86/75/485028675.db2.gz OHZSNGPQSDOPGJ-INIZCTEOSA-N 1 3 362.478 -0.177 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631887551 485028883 /nfs/dbraw/zinc/02/88/83/485028883.db2.gz OHZSNGPQSDOPGJ-MRXNPFEDSA-N 1 3 362.478 -0.177 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000631909109 485030946 /nfs/dbraw/zinc/03/09/46/485030946.db2.gz QUUMPUDMMZANMD-CABCVRRESA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000631909110 485031005 /nfs/dbraw/zinc/03/10/05/485031005.db2.gz QUUMPUDMMZANMD-GJZGRUSLSA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000631909111 485030919 /nfs/dbraw/zinc/03/09/19/485030919.db2.gz QUUMPUDMMZANMD-HUUCEWRRSA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000631909112 485030715 /nfs/dbraw/zinc/03/07/15/485030715.db2.gz QUUMPUDMMZANMD-LSDHHAIUSA-N 1 3 360.524 -0.152 20 0 FBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000631917636 485034391 /nfs/dbraw/zinc/03/43/91/485034391.db2.gz MTMBWGRWOZPTDN-UHFFFAOYSA-N 1 3 373.523 -0.845 20 0 FBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000631920337 485034088 /nfs/dbraw/zinc/03/40/88/485034088.db2.gz XRZMTKGPEBAZEB-INIZCTEOSA-N 1 3 359.540 -0.373 20 0 FBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000631920338 485034286 /nfs/dbraw/zinc/03/42/86/485034286.db2.gz XRZMTKGPEBAZEB-MRXNPFEDSA-N 1 3 359.540 -0.373 20 0 FBADHO CCN1CCN(C[C@@H](C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631923388 485035504 /nfs/dbraw/zinc/03/55/04/485035504.db2.gz UMJYITXMJURCAA-HNNXBMFYSA-N 1 3 361.556 -0.222 20 0 FBADHO CCN1CCN(C[C@H](C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631923389 485036431 /nfs/dbraw/zinc/03/64/31/485036431.db2.gz UMJYITXMJURCAA-OAHLLOKOSA-N 1 3 361.556 -0.222 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631945338 485039304 /nfs/dbraw/zinc/03/93/04/485039304.db2.gz WANIKSLTCVWAMM-CABCVRRESA-N 1 3 373.523 -0.512 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631945339 485039760 /nfs/dbraw/zinc/03/97/60/485039760.db2.gz WANIKSLTCVWAMM-GJZGRUSLSA-N 1 3 373.523 -0.512 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631945340 485039291 /nfs/dbraw/zinc/03/92/91/485039291.db2.gz WANIKSLTCVWAMM-HUUCEWRRSA-N 1 3 373.523 -0.512 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631945341 485039322 /nfs/dbraw/zinc/03/93/22/485039322.db2.gz WANIKSLTCVWAMM-LSDHHAIUSA-N 1 3 373.523 -0.512 20 0 FBADHO CC[NH+]1CCN(CCNS(=O)(=O)CCCN2CCN(C)CC2)CC1 ZINC000632254321 485061664 /nfs/dbraw/zinc/06/16/64/485061664.db2.gz NSISMBODDOKUED-UHFFFAOYSA-N 1 3 361.556 -0.819 20 0 FBADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1S(=O)(=O)CCCN1CCN(C)CC1 ZINC000632362625 485071099 /nfs/dbraw/zinc/07/10/99/485071099.db2.gz MJXLJCYEHARQEV-HZPDHXFCSA-N 1 3 362.540 -0.659 20 0 FBADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1S(=O)(=O)CCCN1CCN(C)CC1 ZINC000632362625 485071095 /nfs/dbraw/zinc/07/10/95/485071095.db2.gz MJXLJCYEHARQEV-HZPDHXFCSA-N 1 3 362.540 -0.659 20 0 FBADHO CN1CCC(CNS(=O)(=O)CCC[NH+](C)C)(N2CCOCC2)CC1 ZINC000632453588 485075808 /nfs/dbraw/zinc/07/58/08/485075808.db2.gz GEDBIQHKVGOIGK-UHFFFAOYSA-N 1 3 362.540 -0.346 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCn2nccc21 ZINC000632487648 485078635 /nfs/dbraw/zinc/07/86/35/485078635.db2.gz RANJTJRZKIBWSL-AWEZNQCLSA-N 1 3 350.467 -0.214 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCn2nccc21 ZINC000632487649 485078837 /nfs/dbraw/zinc/07/88/37/485078837.db2.gz RANJTJRZKIBWSL-CQSZACIVSA-N 1 3 350.467 -0.214 20 0 FBADHO CN(C)CCn1c2cc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)ccc2oc1=O ZINC000633028827 485113746 /nfs/dbraw/zinc/11/37/46/485113746.db2.gz YQWXXDKMLXSDJN-STQMWFEESA-N 1 3 373.413 -0.333 20 0 FBADHO CN1CCN(CC2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000633082793 485115183 /nfs/dbraw/zinc/11/51/83/485115183.db2.gz RDVLNJYWGUTJTJ-CALCHBBNSA-N 1 3 363.506 -0.565 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)C[C@H]1C[NH3+] ZINC000633082979 485115734 /nfs/dbraw/zinc/11/57/34/485115734.db2.gz SLBPHHGSVJAADJ-NVXWUHKLSA-N 1 3 365.522 -0.474 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633087045 485116542 /nfs/dbraw/zinc/11/65/42/485116542.db2.gz FJOGWOMWQSWSDW-HUUCEWRRSA-N 1 3 367.494 -0.948 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)CC2)C1 ZINC000633087295 485116733 /nfs/dbraw/zinc/11/67/33/485116733.db2.gz CTXFCDDERXCZPC-DLBZAZTESA-N 1 3 365.522 -0.045 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)C1 ZINC000633087296 485116469 /nfs/dbraw/zinc/11/64/69/485116469.db2.gz CTXFCDDERXCZPC-IAGOWNOFSA-N 1 3 365.522 -0.045 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)CC2)C1 ZINC000633087297 485116975 /nfs/dbraw/zinc/11/69/75/485116975.db2.gz CTXFCDDERXCZPC-IRXDYDNUSA-N 1 3 365.522 -0.045 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)C1 ZINC000633087298 485116481 /nfs/dbraw/zinc/11/64/81/485116481.db2.gz CTXFCDDERXCZPC-SJORKVTESA-N 1 3 365.522 -0.045 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@H]1C[NH3+] ZINC000633088046 485116779 /nfs/dbraw/zinc/11/67/79/485116779.db2.gz JUFLRTOEXDNPDF-BZUAXINKSA-N 1 3 351.495 -0.722 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@H]1C[NH3+] ZINC000633088047 485116373 /nfs/dbraw/zinc/11/63/73/485116373.db2.gz JUFLRTOEXDNPDF-OAGGEKHMSA-N 1 3 351.495 -0.722 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633092131 485117686 /nfs/dbraw/zinc/11/76/86/485117686.db2.gz NICSUADCVOKKJP-INIZCTEOSA-N 1 3 353.511 -0.188 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633092132 485118018 /nfs/dbraw/zinc/11/80/18/485118018.db2.gz NICSUADCVOKKJP-MRXNPFEDSA-N 1 3 353.511 -0.188 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633093459 485117571 /nfs/dbraw/zinc/11/75/71/485117571.db2.gz BARSBKGAXXKNMP-ZIAGYGMSSA-N 1 3 361.446 -0.208 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633095194 485117541 /nfs/dbraw/zinc/11/75/41/485117541.db2.gz QYKQAQGFTHHTEF-OKILXGFUSA-N 1 3 359.430 -0.298 20 0 FBADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633096809 485117676 /nfs/dbraw/zinc/11/76/76/485117676.db2.gz AEOMYPUMFYTUDM-RDJZCZTQSA-N 1 3 363.506 -0.424 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633099707 485119180 /nfs/dbraw/zinc/11/91/80/485119180.db2.gz CQNSWNIWVMSBHU-TWMKSMIVSA-N 1 3 365.522 -0.476 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000633099709 485118941 /nfs/dbraw/zinc/11/89/41/485118941.db2.gz CQNSWNIWVMSBHU-VQHPVUNQSA-N 1 3 365.522 -0.476 20 0 FBADHO CN1CCN(CC2(C)CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633100618 485118638 /nfs/dbraw/zinc/11/86/38/485118638.db2.gz HZWAXJOLIWGTNK-HOTGVXAUSA-N 1 3 363.506 -0.565 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N1CCN(C)CC1 ZINC000633100887 485118707 /nfs/dbraw/zinc/11/87/07/485118707.db2.gz JXVBFUGDCRDXKQ-MWDXBVQZSA-N 1 3 363.506 -0.566 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N1CCN(C)CC1 ZINC000633100888 485118883 /nfs/dbraw/zinc/11/88/83/485118883.db2.gz JXVBFUGDCRDXKQ-NCOADZHNSA-N 1 3 363.506 -0.566 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1N1CCN(C)CC1 ZINC000633100889 485118600 /nfs/dbraw/zinc/11/86/00/485118600.db2.gz JXVBFUGDCRDXKQ-NXOAAHMSSA-N 1 3 363.506 -0.566 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1N1CCN(C)CC1 ZINC000633100890 485118565 /nfs/dbraw/zinc/11/85/65/485118565.db2.gz JXVBFUGDCRDXKQ-WCXIOVBPSA-N 1 3 363.506 -0.566 20 0 FBADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000633101220 485118546 /nfs/dbraw/zinc/11/85/46/485118546.db2.gz BLNYAAHBJLNWKD-INIZCTEOSA-N 1 3 365.522 -0.045 20 0 FBADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000633101221 485119238 /nfs/dbraw/zinc/11/92/38/485119238.db2.gz BLNYAAHBJLNWKD-MRXNPFEDSA-N 1 3 365.522 -0.045 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)[C@@H](CN)C1 ZINC000633104234 485119992 /nfs/dbraw/zinc/11/99/92/485119992.db2.gz ZCISQOMQAHUGIS-HNNXBMFYSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)[C@H](CN)C1 ZINC000633104243 485120098 /nfs/dbraw/zinc/12/00/98/485120098.db2.gz ZCISQOMQAHUGIS-OAHLLOKOSA-N 1 3 351.495 -0.435 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633109134 485122024 /nfs/dbraw/zinc/12/20/24/485122024.db2.gz MRFNXTCECSAHMX-GJZGRUSLSA-N 1 3 350.463 -0.338 20 0 FBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000633116943 485122560 /nfs/dbraw/zinc/12/25/60/485122560.db2.gz YEOPHJULMJCYIX-GDBMZVCRSA-N 1 3 351.495 -0.580 20 0 FBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000633116944 485122649 /nfs/dbraw/zinc/12/26/49/485122649.db2.gz YEOPHJULMJCYIX-GOEBONIOSA-N 1 3 351.495 -0.580 20 0 FBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000633116945 485122734 /nfs/dbraw/zinc/12/27/34/485122734.db2.gz YEOPHJULMJCYIX-HOCLYGCPSA-N 1 3 351.495 -0.580 20 0 FBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000633116946 485122497 /nfs/dbraw/zinc/12/24/97/485122497.db2.gz YEOPHJULMJCYIX-ZBFHGGJFSA-N 1 3 351.495 -0.580 20 0 FBADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)CC1 ZINC000633118047 485122438 /nfs/dbraw/zinc/12/24/38/485122438.db2.gz HWFIKJTVXNRDTK-CVEARBPZSA-N 1 3 365.522 -0.049 20 0 FBADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)CC1 ZINC000633118048 485122525 /nfs/dbraw/zinc/12/25/25/485122525.db2.gz HWFIKJTVXNRDTK-HOTGVXAUSA-N 1 3 365.522 -0.049 20 0 FBADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)CC1 ZINC000633118049 485122703 /nfs/dbraw/zinc/12/27/03/485122703.db2.gz HWFIKJTVXNRDTK-HZPDHXFCSA-N 1 3 365.522 -0.049 20 0 FBADHO CC(C)N1CCN(C2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)CC1 ZINC000633118050 485122597 /nfs/dbraw/zinc/12/25/97/485122597.db2.gz HWFIKJTVXNRDTK-JKSUJKDBSA-N 1 3 365.522 -0.049 20 0 FBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000633149962 485124657 /nfs/dbraw/zinc/12/46/57/485124657.db2.gz XZJJFLVWTCYIBF-FPCVCCKLSA-N 1 3 351.495 -0.581 20 0 FBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000633149963 485123958 /nfs/dbraw/zinc/12/39/58/485123958.db2.gz XZJJFLVWTCYIBF-KLHDSHLOSA-N 1 3 351.495 -0.581 20 0 FBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000633149964 485124788 /nfs/dbraw/zinc/12/47/88/485124788.db2.gz XZJJFLVWTCYIBF-QKPAOTATSA-N 1 3 351.495 -0.581 20 0 FBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000633149965 485124156 /nfs/dbraw/zinc/12/41/56/485124156.db2.gz XZJJFLVWTCYIBF-QXSJWSMHSA-N 1 3 351.495 -0.581 20 0 FBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000633149995 485124937 /nfs/dbraw/zinc/12/49/37/485124937.db2.gz YOAHETJHSNHSLX-CVEARBPZSA-N 1 3 365.522 -0.189 20 0 FBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000633149996 485124355 /nfs/dbraw/zinc/12/43/55/485124355.db2.gz YOAHETJHSNHSLX-HOTGVXAUSA-N 1 3 365.522 -0.189 20 0 FBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000633149997 485124495 /nfs/dbraw/zinc/12/44/95/485124495.db2.gz YOAHETJHSNHSLX-HZPDHXFCSA-N 1 3 365.522 -0.189 20 0 FBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000633149998 485124439 /nfs/dbraw/zinc/12/44/39/485124439.db2.gz YOAHETJHSNHSLX-JKSUJKDBSA-N 1 3 365.522 -0.189 20 0 FBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635543016 484037877 /nfs/dbraw/zinc/03/78/77/484037877.db2.gz KHYOHRAJJNDPBN-CVEARBPZSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635543017 484037639 /nfs/dbraw/zinc/03/76/39/484037639.db2.gz KHYOHRAJJNDPBN-HOTGVXAUSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635543018 484037893 /nfs/dbraw/zinc/03/78/93/484037893.db2.gz KHYOHRAJJNDPBN-HZPDHXFCSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635543019 484037449 /nfs/dbraw/zinc/03/74/49/484037449.db2.gz KHYOHRAJJNDPBN-JKSUJKDBSA-N 1 3 352.479 -0.092 20 0 FBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000635933113 484122415 /nfs/dbraw/zinc/12/24/15/484122415.db2.gz FDBXIEPVXRUKSN-BZUAXINKSA-N 1 3 368.478 -0.855 20 0 FBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1=O ZINC000635933113 484122411 /nfs/dbraw/zinc/12/24/11/484122411.db2.gz FDBXIEPVXRUKSN-BZUAXINKSA-N 1 3 368.478 -0.855 20 0 FBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000635933124 484122597 /nfs/dbraw/zinc/12/25/97/484122597.db2.gz FDBXIEPVXRUKSN-OAGGEKHMSA-N 1 3 368.478 -0.855 20 0 FBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1=O ZINC000635933124 484122594 /nfs/dbraw/zinc/12/25/94/484122594.db2.gz FDBXIEPVXRUKSN-OAGGEKHMSA-N 1 3 368.478 -0.855 20 0 FBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000635933125 484121966 /nfs/dbraw/zinc/12/19/66/484121966.db2.gz FDBXIEPVXRUKSN-OWCLPIDISA-N 1 3 368.478 -0.855 20 0 FBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1=O ZINC000635933125 484121964 /nfs/dbraw/zinc/12/19/64/484121964.db2.gz FDBXIEPVXRUKSN-OWCLPIDISA-N 1 3 368.478 -0.855 20 0 FBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000635933126 484122445 /nfs/dbraw/zinc/12/24/45/484122445.db2.gz FDBXIEPVXRUKSN-PMPSAXMXSA-N 1 3 368.478 -0.855 20 0 FBADHO COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1=O ZINC000635933126 484122440 /nfs/dbraw/zinc/12/24/40/484122440.db2.gz FDBXIEPVXRUKSN-PMPSAXMXSA-N 1 3 368.478 -0.855 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636161409 484197598 /nfs/dbraw/zinc/19/75/98/484197598.db2.gz KAEVINNLMHAKDO-ARFHVFGLSA-N 1 3 364.494 -0.196 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636161409 484197592 /nfs/dbraw/zinc/19/75/92/484197592.db2.gz KAEVINNLMHAKDO-ARFHVFGLSA-N 1 3 364.494 -0.196 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000636161417 484198011 /nfs/dbraw/zinc/19/80/11/484198011.db2.gz KAEVINNLMHAKDO-HRCADAONSA-N 1 3 364.494 -0.196 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000636161417 484198006 /nfs/dbraw/zinc/19/80/06/484198006.db2.gz KAEVINNLMHAKDO-HRCADAONSA-N 1 3 364.494 -0.196 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000636161419 484197358 /nfs/dbraw/zinc/19/73/58/484197358.db2.gz KAEVINNLMHAKDO-JYJNAYRXSA-N 1 3 364.494 -0.196 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000636161419 484197356 /nfs/dbraw/zinc/19/73/56/484197356.db2.gz KAEVINNLMHAKDO-JYJNAYRXSA-N 1 3 364.494 -0.196 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636161423 484197736 /nfs/dbraw/zinc/19/77/36/484197736.db2.gz KAEVINNLMHAKDO-XHSDSOJGSA-N 1 3 364.494 -0.196 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000636161423 484197731 /nfs/dbraw/zinc/19/77/31/484197731.db2.gz KAEVINNLMHAKDO-XHSDSOJGSA-N 1 3 364.494 -0.196 20 0 FBADHO CN1CCC([NH+]2CCC(NC(=O)NCCN3CC[C@H](O)C3)CC2)CC1 ZINC000636680393 483826121 /nfs/dbraw/zinc/82/61/21/483826121.db2.gz LHQPAHQSHOGJPJ-KRWDZBQOSA-N 1 3 353.511 -0.089 20 0 FBADHO CN1CCC([NH+]2CCC(NC(=O)NCCN3CC[C@@H](O)C3)CC2)CC1 ZINC000636680394 483826410 /nfs/dbraw/zinc/82/64/10/483826410.db2.gz LHQPAHQSHOGJPJ-QGZVFWFLSA-N 1 3 353.511 -0.089 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(NS(C)(=O)=O)C3)CC2)CC1 ZINC000636681453 483826910 /nfs/dbraw/zinc/82/69/10/483826910.db2.gz WQHIURXOTVESRW-UHFFFAOYSA-N 1 3 373.523 -0.512 20 0 FBADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636700114 483832691 /nfs/dbraw/zinc/83/26/91/483832691.db2.gz LSPROHDDFSEBHT-CABCVRRESA-N 1 3 355.483 -0.705 20 0 FBADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636700114 483832688 /nfs/dbraw/zinc/83/26/88/483832688.db2.gz LSPROHDDFSEBHT-CABCVRRESA-N 1 3 355.483 -0.705 20 0 FBADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCN1CC[C@H](O)C1 ZINC000636700115 483832492 /nfs/dbraw/zinc/83/24/92/483832492.db2.gz LSPROHDDFSEBHT-GJZGRUSLSA-N 1 3 355.483 -0.705 20 0 FBADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CC[C@H](O)C1 ZINC000636700115 483832491 /nfs/dbraw/zinc/83/24/91/483832491.db2.gz LSPROHDDFSEBHT-GJZGRUSLSA-N 1 3 355.483 -0.705 20 0 FBADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636700116 483832598 /nfs/dbraw/zinc/83/25/98/483832598.db2.gz LSPROHDDFSEBHT-HUUCEWRRSA-N 1 3 355.483 -0.705 20 0 FBADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636700116 483832596 /nfs/dbraw/zinc/83/25/96/483832596.db2.gz LSPROHDDFSEBHT-HUUCEWRRSA-N 1 3 355.483 -0.705 20 0 FBADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCN1CC[C@H](O)C1 ZINC000636700117 483832473 /nfs/dbraw/zinc/83/24/73/483832473.db2.gz LSPROHDDFSEBHT-LSDHHAIUSA-N 1 3 355.483 -0.705 20 0 FBADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCN1CC[C@H](O)C1 ZINC000636700117 483832472 /nfs/dbraw/zinc/83/24/72/483832472.db2.gz LSPROHDDFSEBHT-LSDHHAIUSA-N 1 3 355.483 -0.705 20 0 FBADHO C[NH+](C)CCOc1cc(CNC(=O)NCCN2CC[C@H](O)C2)ccn1 ZINC000636990082 483867184 /nfs/dbraw/zinc/86/71/84/483867184.db2.gz CWBRVCHDVOQJJC-HNNXBMFYSA-N 1 3 351.451 -0.112 20 0 FBADHO C[NH+](C)CCOc1cc(CNC(=O)NCCN2CC[C@@H](O)C2)ccn1 ZINC000636990083 483866989 /nfs/dbraw/zinc/86/69/89/483866989.db2.gz CWBRVCHDVOQJJC-OAHLLOKOSA-N 1 3 351.451 -0.112 20 0 FBADHO C[NH+]1CCC(CNC(=O)NCCN2CC[C@H](O)C2)(N2CCOCC2)CC1 ZINC000637216902 483887566 /nfs/dbraw/zinc/88/75/66/483887566.db2.gz PZPJVYBFFKAXHD-INIZCTEOSA-N 1 3 369.510 -0.851 20 0 FBADHO C[NH+]1CCC(CNC(=O)NCCN2CC[C@@H](O)C2)(N2CCOCC2)CC1 ZINC000637216903 483887772 /nfs/dbraw/zinc/88/77/72/483887772.db2.gz PZPJVYBFFKAXHD-MRXNPFEDSA-N 1 3 369.510 -0.851 20 0 FBADHO CNC(=O)NC[C@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000637262766 483892947 /nfs/dbraw/zinc/89/29/47/483892947.db2.gz CPQRJBXQSIDKFC-GJZGRUSLSA-N 1 3 372.514 -0.402 20 0 FBADHO CNC(=O)NC[C@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000637262766 483892944 /nfs/dbraw/zinc/89/29/44/483892944.db2.gz CPQRJBXQSIDKFC-GJZGRUSLSA-N 1 3 372.514 -0.402 20 0 FBADHO CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000637262767 483892867 /nfs/dbraw/zinc/89/28/67/483892867.db2.gz CPQRJBXQSIDKFC-LSDHHAIUSA-N 1 3 372.514 -0.402 20 0 FBADHO CNC(=O)NC[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000637262767 483892866 /nfs/dbraw/zinc/89/28/66/483892866.db2.gz CPQRJBXQSIDKFC-LSDHHAIUSA-N 1 3 372.514 -0.402 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(c2nccnn2)CC1 ZINC000637263034 483892994 /nfs/dbraw/zinc/89/29/94/483892994.db2.gz CWMXCUXYDQVGMU-HNNXBMFYSA-N 1 3 364.498 -0.025 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(c2nccnn2)CC1 ZINC000637263034 483892991 /nfs/dbraw/zinc/89/29/91/483892991.db2.gz CWMXCUXYDQVGMU-HNNXBMFYSA-N 1 3 364.498 -0.025 20 0 FBADHO CNC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000637263558 483893265 /nfs/dbraw/zinc/89/32/65/483893265.db2.gz ICQORJWGLAGWHL-GJZGRUSLSA-N 1 3 372.514 -0.402 20 0 FBADHO CNC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000637263558 483893264 /nfs/dbraw/zinc/89/32/64/483893264.db2.gz ICQORJWGLAGWHL-GJZGRUSLSA-N 1 3 372.514 -0.402 20 0 FBADHO CNC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000637263559 483893141 /nfs/dbraw/zinc/89/31/41/483893141.db2.gz ICQORJWGLAGWHL-LSDHHAIUSA-N 1 3 372.514 -0.402 20 0 FBADHO CNC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000637263559 483893138 /nfs/dbraw/zinc/89/31/38/483893138.db2.gz ICQORJWGLAGWHL-LSDHHAIUSA-N 1 3 372.514 -0.402 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2nnc(CO)c2C1 ZINC000637264634 483892913 /nfs/dbraw/zinc/89/29/13/483892913.db2.gz MRDDSOZRRZZXPI-ZDUSSCGKSA-N 1 3 353.471 -0.432 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2nnc(CO)c2C1 ZINC000637264634 483892912 /nfs/dbraw/zinc/89/29/12/483892912.db2.gz MRDDSOZRRZZXPI-ZDUSSCGKSA-N 1 3 353.471 -0.432 20 0 FBADHO CN(C)CCn1c2cc(C(=O)NCCN3CC[NH2+]CC3)ccc2[nH]c1=O ZINC000637810147 483678309 /nfs/dbraw/zinc/67/83/09/483678309.db2.gz CJDZEMXBOGYICQ-UHFFFAOYSA-N 1 3 360.462 -0.062 20 0 FBADHO [NH3+]C1(CC(=O)NCC(=O)N2CCNCC2)CCN(Cc2ccccc2)CC1 ZINC000637814343 483678669 /nfs/dbraw/zinc/67/86/69/483678669.db2.gz YVKCZGOUONCCNO-UHFFFAOYSA-N 1 3 373.501 -0.082 20 0 FBADHO COC[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC[NH2+]1 ZINC000638100277 483692430 /nfs/dbraw/zinc/69/24/30/483692430.db2.gz XVABZILBNFPKBG-GOSISDBHSA-N 1 3 352.479 -0.088 20 0 FBADHO COC[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC[NH2+]1 ZINC000638100278 483692012 /nfs/dbraw/zinc/69/20/12/483692012.db2.gz XVABZILBNFPKBG-SFHVURJKSA-N 1 3 352.479 -0.088 20 0 FBADHO C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)N1CCNCC1=O ZINC000638138460 483702759 /nfs/dbraw/zinc/70/27/59/483702759.db2.gz BPJBQSCANMZJQU-INIZCTEOSA-N 1 3 365.522 -0.127 20 0 FBADHO C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)N1CCNCC1=O ZINC000638138461 483702599 /nfs/dbraw/zinc/70/25/99/483702599.db2.gz BPJBQSCANMZJQU-MRXNPFEDSA-N 1 3 365.522 -0.127 20 0 FBADHO CN(C)CCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000638211280 483731269 /nfs/dbraw/zinc/73/12/69/483731269.db2.gz TYRLTUXMIJCDHW-HNNXBMFYSA-N 1 3 350.467 -0.096 20 0 FBADHO CN(C)CCn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000638211282 483731406 /nfs/dbraw/zinc/73/14/06/483731406.db2.gz TYRLTUXMIJCDHW-OAHLLOKOSA-N 1 3 350.467 -0.096 20 0 FBADHO O=C(CN1CCNCC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000638230292 483734755 /nfs/dbraw/zinc/73/47/55/483734755.db2.gz CJJVUZBEVDDWCL-UHFFFAOYSA-N 1 3 365.522 -0.268 20 0 FBADHO O=C(CN1CC[NH2+]CC1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638441652 483801522 /nfs/dbraw/zinc/80/15/22/483801522.db2.gz YNEHWLWAQIALDY-HNNXBMFYSA-N 1 3 361.494 -0.570 20 0 FBADHO O=C(CN1CC[NH2+]CC1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638441653 483801839 /nfs/dbraw/zinc/80/18/39/483801839.db2.gz YNEHWLWAQIALDY-OAHLLOKOSA-N 1 3 361.494 -0.570 20 0 FBADHO CC(C)(O)C[NH+]1CCC(NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000638560511 483823691 /nfs/dbraw/zinc/82/36/91/483823691.db2.gz NCYBYUOTGYZXEG-UHFFFAOYSA-N 1 3 362.540 -0.612 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638725575 483871019 /nfs/dbraw/zinc/87/10/19/483871019.db2.gz BSBROPMNLQUJRD-HNNXBMFYSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000638725576 483870959 /nfs/dbraw/zinc/87/09/59/483870959.db2.gz BSBROPMNLQUJRD-OAHLLOKOSA-N 1 3 352.479 -0.042 20 0 FBADHO CC(C)(O)CN1CCC([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000638872450 483882219 /nfs/dbraw/zinc/88/22/19/483882219.db2.gz UGELYNOJKVORIC-KRWDZBQOSA-N 1 3 368.522 -0.256 20 0 FBADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000638872450 483882216 /nfs/dbraw/zinc/88/22/16/483882216.db2.gz UGELYNOJKVORIC-KRWDZBQOSA-N 1 3 368.522 -0.256 20 0 FBADHO CC(C)(O)CN1CCC([NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000638872451 483882300 /nfs/dbraw/zinc/88/23/00/483882300.db2.gz UGELYNOJKVORIC-QGZVFWFLSA-N 1 3 368.522 -0.256 20 0 FBADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000638872451 483882298 /nfs/dbraw/zinc/88/22/98/483882298.db2.gz UGELYNOJKVORIC-QGZVFWFLSA-N 1 3 368.522 -0.256 20 0 FBADHO Cn1c2ncn(CCN3CCC4(C3)CC[NH+](C)CC4)c2c(=O)n(C)c1=O ZINC000639757105 484533709 /nfs/dbraw/zinc/53/37/09/484533709.db2.gz FLTSSDVSIOLHKF-UHFFFAOYSA-N 1 3 360.462 -0.149 20 0 FBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639757272 484534622 /nfs/dbraw/zinc/53/46/22/484534622.db2.gz DPXRLSKTOSUVLR-UHFFFAOYSA-N 1 3 365.522 -0.364 20 0 FBADHO C[NH+]1CCC2(CCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000639758359 484539576 /nfs/dbraw/zinc/53/95/76/484539576.db2.gz RZPIATGFZHMOTL-UHFFFAOYSA-N 1 3 372.535 -0.056 20 0 FBADHO CN(CCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2)S(C)(=O)=O ZINC000639758976 484538647 /nfs/dbraw/zinc/53/86/47/484538647.db2.gz ZBCCVMHVYGLMSJ-UHFFFAOYSA-N 1 3 360.524 -0.198 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639955082 484578584 /nfs/dbraw/zinc/57/85/84/484578584.db2.gz XMKDDMKLQULJCK-HDICACEKSA-N 1 3 350.463 -0.040 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC000639955083 484579549 /nfs/dbraw/zinc/57/95/49/484579549.db2.gz XMKDDMKLQULJCK-QZTJIDSGSA-N 1 3 350.463 -0.040 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639955084 484579865 /nfs/dbraw/zinc/57/98/65/484579865.db2.gz XMKDDMKLQULJCK-ROUUACIJSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640335461 484100145 /nfs/dbraw/zinc/10/01/45/484100145.db2.gz DGHLUZLZCWTFKK-LBPRGKRZSA-N 1 3 354.455 -0.523 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640335461 484100140 /nfs/dbraw/zinc/10/01/40/484100140.db2.gz DGHLUZLZCWTFKK-LBPRGKRZSA-N 1 3 354.455 -0.523 20 0 FBADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000641824050 485034007 /nfs/dbraw/zinc/03/40/07/485034007.db2.gz DQTLXEYNFVFCEB-INIZCTEOSA-N 1 3 353.511 -0.188 20 0 FBADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000641824051 485033731 /nfs/dbraw/zinc/03/37/31/485033731.db2.gz DQTLXEYNFVFCEB-MRXNPFEDSA-N 1 3 353.511 -0.188 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000641984202 485136169 /nfs/dbraw/zinc/13/61/69/485136169.db2.gz MGXYGWGVMQIMGC-CYBMUJFWSA-N 1 3 359.421 -0.067 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000641984203 485136316 /nfs/dbraw/zinc/13/63/16/485136316.db2.gz MGXYGWGVMQIMGC-ZDUSSCGKSA-N 1 3 359.421 -0.067 20 0 FBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000642094946 485186777 /nfs/dbraw/zinc/18/67/77/485186777.db2.gz ZMIVZMWASZAVMH-BHYGNILZSA-N 1 3 362.474 -0.150 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000642094947 485186565 /nfs/dbraw/zinc/18/65/65/485186565.db2.gz ZMIVZMWASZAVMH-UAGQMJEPSA-N 1 3 362.474 -0.150 20 0 FBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000642094948 485187157 /nfs/dbraw/zinc/18/71/57/485187157.db2.gz ZMIVZMWASZAVMH-USXIJHARSA-N 1 3 362.474 -0.150 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000642094949 485186673 /nfs/dbraw/zinc/18/66/73/485186673.db2.gz ZMIVZMWASZAVMH-XIRDDKMYSA-N 1 3 362.474 -0.150 20 0 FBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CCO1 ZINC000642104419 485191397 /nfs/dbraw/zinc/19/13/97/485191397.db2.gz IVJXEPJJLPYBAA-BHYGNILZSA-N 1 3 362.474 -0.150 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CCO1 ZINC000642104420 485191780 /nfs/dbraw/zinc/19/17/80/485191780.db2.gz IVJXEPJJLPYBAA-UAGQMJEPSA-N 1 3 362.474 -0.150 20 0 FBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CCO1 ZINC000642104421 485191201 /nfs/dbraw/zinc/19/12/01/485191201.db2.gz IVJXEPJJLPYBAA-USXIJHARSA-N 1 3 362.474 -0.150 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CCO1 ZINC000642104422 485192135 /nfs/dbraw/zinc/19/21/35/485192135.db2.gz IVJXEPJJLPYBAA-XIRDDKMYSA-N 1 3 362.474 -0.150 20 0 FBADHO CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](CN)C1 ZINC000642220628 483958375 /nfs/dbraw/zinc/95/83/75/483958375.db2.gz XAQQNIGYPIZSTH-HNNXBMFYSA-N 1 3 353.511 -0.142 20 0 FBADHO CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](CN)C1 ZINC000642220634 483958650 /nfs/dbraw/zinc/95/86/50/483958650.db2.gz XAQQNIGYPIZSTH-OAHLLOKOSA-N 1 3 353.511 -0.142 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000642268807 484290135 /nfs/dbraw/zinc/29/01/35/484290135.db2.gz ZHGPHEPQZWPQJT-HNNXBMFYSA-N 1 3 363.462 -0.104 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)ccn1 ZINC000642268808 484289101 /nfs/dbraw/zinc/28/91/01/484289101.db2.gz ZHGPHEPQZWPQJT-OAHLLOKOSA-N 1 3 363.462 -0.104 20 0 FBADHO CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H](CN)C1 ZINC000642318730 484333824 /nfs/dbraw/zinc/33/38/24/484333824.db2.gz PNZMJMOPVDUYTK-GOSISDBHSA-N 1 3 373.501 0.000 20 0 FBADHO CN1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](CN)C1 ZINC000642318731 484334045 /nfs/dbraw/zinc/33/40/45/484334045.db2.gz PNZMJMOPVDUYTK-SFHVURJKSA-N 1 3 373.501 0.000 20 0 FBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)C2)CC1 ZINC000642345379 484382451 /nfs/dbraw/zinc/38/24/51/484382451.db2.gz HHXLSKVGUWWGLE-OWCLPIDISA-N 1 3 363.506 -0.376 20 0 FBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)C2)CC1 ZINC000642345380 484383283 /nfs/dbraw/zinc/38/32/83/484383283.db2.gz HHXLSKVGUWWGLE-XHSDSOJGSA-N 1 3 363.506 -0.376 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000642345381 484382404 /nfs/dbraw/zinc/38/24/04/484382404.db2.gz HOSPEEKCWAIDAZ-HLLBOEOZSA-N 1 3 365.522 -0.095 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)CC1 ZINC000642345382 484382672 /nfs/dbraw/zinc/38/26/72/484382672.db2.gz HOSPEEKCWAIDAZ-VYDXJSESSA-N 1 3 365.522 -0.095 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000642345383 484383172 /nfs/dbraw/zinc/38/31/72/484383172.db2.gz HOSPEEKCWAIDAZ-YQQAZPJKSA-N 1 3 365.522 -0.095 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C2)CC1 ZINC000642345384 484383034 /nfs/dbraw/zinc/38/30/34/484383034.db2.gz HOSPEEKCWAIDAZ-ZOBUZTSGSA-N 1 3 365.522 -0.095 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345400 484385009 /nfs/dbraw/zinc/38/50/09/484385009.db2.gz KEJAMLOXGLEYDM-DOTOQJQBSA-N 1 3 365.522 -0.128 20 0 FBADHO CCC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345401 484385053 /nfs/dbraw/zinc/38/50/53/484385053.db2.gz KEJAMLOXGLEYDM-NVXWUHKLSA-N 1 3 365.522 -0.128 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345402 484383806 /nfs/dbraw/zinc/38/38/06/484383806.db2.gz KEJAMLOXGLEYDM-RDJZCZTQSA-N 1 3 365.522 -0.128 20 0 FBADHO CCC[C@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000642345403 484384613 /nfs/dbraw/zinc/38/46/13/484384613.db2.gz KEJAMLOXGLEYDM-WBVHZDCISA-N 1 3 365.522 -0.128 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)CN1 ZINC000642345422 484383901 /nfs/dbraw/zinc/38/39/01/484383901.db2.gz OTCNFBCSOVDWGO-ILXRZTDVSA-N 1 3 351.495 -0.520 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)CN1 ZINC000642345423 484383829 /nfs/dbraw/zinc/38/38/29/484383829.db2.gz OTCNFBCSOVDWGO-KFWWJZLASA-N 1 3 351.495 -0.520 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H](C)CN1 ZINC000642345424 484384006 /nfs/dbraw/zinc/38/40/06/484384006.db2.gz OTCNFBCSOVDWGO-QLFBSQMISA-N 1 3 351.495 -0.520 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H](C)CN1 ZINC000642345425 484384261 /nfs/dbraw/zinc/38/42/61/484384261.db2.gz OTCNFBCSOVDWGO-RBSFLKMASA-N 1 3 351.495 -0.520 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1 ZINC000642345426 484384286 /nfs/dbraw/zinc/38/42/86/484384286.db2.gz POLINTGLGYBRJT-DOTOQJQBSA-N 1 3 365.522 -0.273 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCN1 ZINC000642345427 484384121 /nfs/dbraw/zinc/38/41/21/484384121.db2.gz POLINTGLGYBRJT-NVXWUHKLSA-N 1 3 365.522 -0.273 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)N1 ZINC000642345428 484384723 /nfs/dbraw/zinc/38/47/23/484384723.db2.gz QMRWPMXNTAZNHD-KFWWJZLASA-N 1 3 351.495 -0.520 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)N1 ZINC000642345429 484383601 /nfs/dbraw/zinc/38/36/01/484383601.db2.gz QMRWPMXNTAZNHD-QLFBSQMISA-N 1 3 351.495 -0.520 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)N1 ZINC000642345430 484384144 /nfs/dbraw/zinc/38/41/44/484384144.db2.gz QMRWPMXNTAZNHD-RBSFLKMASA-N 1 3 351.495 -0.520 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)N1 ZINC000642345431 484384873 /nfs/dbraw/zinc/38/48/73/484384873.db2.gz QMRWPMXNTAZNHD-ZNMIVQPWSA-N 1 3 351.495 -0.520 20 0 FBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000642439906 484343404 /nfs/dbraw/zinc/34/34/04/484343404.db2.gz RFSOKXWBDSKJIC-CABCVRRESA-N 1 3 367.494 -0.710 20 0 FBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000642439907 484342680 /nfs/dbraw/zinc/34/26/80/484342680.db2.gz RFSOKXWBDSKJIC-GJZGRUSLSA-N 1 3 367.494 -0.710 20 0 FBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000642439908 484343456 /nfs/dbraw/zinc/34/34/56/484343456.db2.gz RFSOKXWBDSKJIC-HUUCEWRRSA-N 1 3 367.494 -0.710 20 0 FBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000642439909 484342746 /nfs/dbraw/zinc/34/27/46/484342746.db2.gz RFSOKXWBDSKJIC-LSDHHAIUSA-N 1 3 367.494 -0.710 20 0 FBADHO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)NC1CNC1 ZINC000642481186 484385872 /nfs/dbraw/zinc/38/58/72/484385872.db2.gz LQVUENQMFPOWPG-UHFFFAOYSA-N 1 3 360.458 -0.092 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CCN1 ZINC000642683341 483409850 /nfs/dbraw/zinc/40/98/50/483409850.db2.gz WXPIJOONKVGAFY-MRXNPFEDSA-N 1 3 353.511 -0.415 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H](C)[NH3+])cc2)CC1 ZINC000642720649 483515695 /nfs/dbraw/zinc/51/56/95/483515695.db2.gz QXRSEFSYSHLVPI-HNNXBMFYSA-N 1 3 361.490 -0.096 20 0 FBADHO CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)[NH3+])cc2)CC1 ZINC000642720650 483516075 /nfs/dbraw/zinc/51/60/75/483516075.db2.gz QXRSEFSYSHLVPI-OAHLLOKOSA-N 1 3 361.490 -0.096 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642720656 483515044 /nfs/dbraw/zinc/51/50/44/483515044.db2.gz YZJHIYKGSZZXEQ-HNNXBMFYSA-N 1 3 361.490 -0.096 20 0 FBADHO CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642720657 483515114 /nfs/dbraw/zinc/51/51/14/483515114.db2.gz YZJHIYKGSZZXEQ-OAHLLOKOSA-N 1 3 361.490 -0.096 20 0 FBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)C(=O)NCC[NH2+]C1CC1 ZINC000642724563 483515769 /nfs/dbraw/zinc/51/57/69/483515769.db2.gz YJCDOVGNOZDKMV-UHFFFAOYSA-N 1 3 374.489 -0.422 20 0 FBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000642726001 483517396 /nfs/dbraw/zinc/51/73/96/483517396.db2.gz YGBPQLAPJJDVRH-PBHICJAKSA-N 1 3 374.485 -0.224 20 0 FBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000642726002 483517131 /nfs/dbraw/zinc/51/71/31/483517131.db2.gz YGBPQLAPJJDVRH-RHSMWYFYSA-N 1 3 374.485 -0.224 20 0 FBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000642726003 483516926 /nfs/dbraw/zinc/51/69/26/483516926.db2.gz YGBPQLAPJJDVRH-WMLDXEAASA-N 1 3 374.485 -0.224 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000642726004 483516952 /nfs/dbraw/zinc/51/69/52/483516952.db2.gz YGBPQLAPJJDVRH-YOEHRIQHSA-N 1 3 374.485 -0.224 20 0 FBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000642735278 483578354 /nfs/dbraw/zinc/57/83/54/483578354.db2.gz UJLQYEFNCNOEPA-INIZCTEOSA-N 1 3 361.490 -0.226 20 0 FBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000642735279 483577311 /nfs/dbraw/zinc/57/73/11/483577311.db2.gz UJLQYEFNCNOEPA-MRXNPFEDSA-N 1 3 361.490 -0.226 20 0 FBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000642735284 483577683 /nfs/dbraw/zinc/57/76/83/483577683.db2.gz XIRUENLCCRNOBN-DOTOQJQBSA-N 1 3 361.490 -0.055 20 0 FBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000642735285 483578038 /nfs/dbraw/zinc/57/80/38/483578038.db2.gz XIRUENLCCRNOBN-NVXWUHKLSA-N 1 3 361.490 -0.055 20 0 FBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000642735286 483578107 /nfs/dbraw/zinc/57/81/07/483578107.db2.gz XIRUENLCCRNOBN-RDJZCZTQSA-N 1 3 361.490 -0.055 20 0 FBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000642735287 483577792 /nfs/dbraw/zinc/57/77/92/483577792.db2.gz XIRUENLCCRNOBN-WBVHZDCISA-N 1 3 361.490 -0.055 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756526 483601082 /nfs/dbraw/zinc/60/10/82/483601082.db2.gz XHQYPYXOYJAFQR-CABCVRRESA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756527 483601576 /nfs/dbraw/zinc/60/15/76/483601576.db2.gz XHQYPYXOYJAFQR-GJZGRUSLSA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642756528 483601273 /nfs/dbraw/zinc/60/12/73/483601273.db2.gz XHQYPYXOYJAFQR-HUUCEWRRSA-N 1 3 367.494 -0.696 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642756529 483601098 /nfs/dbraw/zinc/60/10/98/483601098.db2.gz XHQYPYXOYJAFQR-LSDHHAIUSA-N 1 3 367.494 -0.696 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCN1 ZINC000642886852 483799464 /nfs/dbraw/zinc/79/94/64/483799464.db2.gz UKUOXECOQFAFEA-HZPDHXFCSA-N 1 3 353.511 -0.558 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CCN1 ZINC000642886855 483799643 /nfs/dbraw/zinc/79/96/43/483799643.db2.gz UKUOXECOQFAFEA-JKSUJKDBSA-N 1 3 353.511 -0.558 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642886888 483799441 /nfs/dbraw/zinc/79/94/41/483799441.db2.gz XPYMZIFPUXPDDF-CVEARBPZSA-N 1 3 353.511 -0.366 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642886889 483799597 /nfs/dbraw/zinc/79/95/97/483799597.db2.gz XPYMZIFPUXPDDF-HOTGVXAUSA-N 1 3 353.511 -0.366 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642886890 483799617 /nfs/dbraw/zinc/79/96/17/483799617.db2.gz XPYMZIFPUXPDDF-HZPDHXFCSA-N 1 3 353.511 -0.366 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642886891 483799138 /nfs/dbraw/zinc/79/91/38/483799138.db2.gz XPYMZIFPUXPDDF-JKSUJKDBSA-N 1 3 353.511 -0.366 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C1 ZINC000642896302 483839755 /nfs/dbraw/zinc/83/97/55/483839755.db2.gz BQRHVPNSCMWKPE-INIZCTEOSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C1 ZINC000642896303 483839821 /nfs/dbraw/zinc/83/98/21/483839821.db2.gz BQRHVPNSCMWKPE-MRXNPFEDSA-N 1 3 351.495 -0.517 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642896800 483842254 /nfs/dbraw/zinc/84/22/54/483842254.db2.gz AZSPTLPDFBFULK-UHFFFAOYSA-N 1 3 360.462 -0.858 20 0 FBADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000642897309 483845458 /nfs/dbraw/zinc/84/54/58/483845458.db2.gz NYIVWGNREDLRNZ-GOSISDBHSA-N 1 3 373.501 -0.259 20 0 FBADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000642897310 483845519 /nfs/dbraw/zinc/84/55/19/483845519.db2.gz NYIVWGNREDLRNZ-SFHVURJKSA-N 1 3 373.501 -0.259 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642902287 483871265 /nfs/dbraw/zinc/87/12/65/483871265.db2.gz OQSQSODXXDHJDX-HNNXBMFYSA-N 1 3 367.494 -0.743 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642902288 483871531 /nfs/dbraw/zinc/87/15/31/483871531.db2.gz OQSQSODXXDHJDX-OAHLLOKOSA-N 1 3 367.494 -0.743 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903701 483871575 /nfs/dbraw/zinc/87/15/75/483871575.db2.gz NHESENHOAOWVQJ-CABCVRRESA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903702 483871216 /nfs/dbraw/zinc/87/12/16/483871216.db2.gz NHESENHOAOWVQJ-GJZGRUSLSA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903703 483871572 /nfs/dbraw/zinc/87/15/72/483871572.db2.gz NHESENHOAOWVQJ-HUUCEWRRSA-N 1 3 365.478 -0.990 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903704 483871550 /nfs/dbraw/zinc/87/15/50/483871550.db2.gz NHESENHOAOWVQJ-LSDHHAIUSA-N 1 3 365.478 -0.990 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903772 483871437 /nfs/dbraw/zinc/87/14/37/483871437.db2.gz ODGHPZQDGHPFII-AWEZNQCLSA-N 1 3 361.446 -0.003 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903773 483871508 /nfs/dbraw/zinc/87/15/08/483871508.db2.gz ODGHPZQDGHPFII-CQSZACIVSA-N 1 3 361.446 -0.003 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642904490 483872080 /nfs/dbraw/zinc/87/20/80/483872080.db2.gz XRNVYIRONMWRQA-HNNXBMFYSA-N 1 3 365.478 -0.989 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642904491 483871717 /nfs/dbraw/zinc/87/17/17/483871717.db2.gz XRNVYIRONMWRQA-OAHLLOKOSA-N 1 3 365.478 -0.989 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905044 483871728 /nfs/dbraw/zinc/87/17/28/483871728.db2.gz FHLPHKJFGDDGEV-CVEARBPZSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905045 483871842 /nfs/dbraw/zinc/87/18/42/483871842.db2.gz FHLPHKJFGDDGEV-HOTGVXAUSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905046 483871899 /nfs/dbraw/zinc/87/18/99/483871899.db2.gz FHLPHKJFGDDGEV-HZPDHXFCSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000642905047 483871802 /nfs/dbraw/zinc/87/18/02/483871802.db2.gz FHLPHKJFGDDGEV-JKSUJKDBSA-N 1 3 351.495 -0.517 20 0 FBADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000642909265 483874894 /nfs/dbraw/zinc/87/48/94/483874894.db2.gz JPXKNVFTIRDGCI-INIZCTEOSA-N 1 3 361.490 -0.274 20 0 FBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000642909266 483875082 /nfs/dbraw/zinc/87/50/82/483875082.db2.gz JPXKNVFTIRDGCI-MRXNPFEDSA-N 1 3 361.490 -0.274 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000642912550 483876471 /nfs/dbraw/zinc/87/64/71/483876471.db2.gz XSUGOXYSEBGKLB-JYJNAYRXSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000642912551 483876782 /nfs/dbraw/zinc/87/67/82/483876782.db2.gz XSUGOXYSEBGKLB-OAGGEKHMSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000642912552 483876643 /nfs/dbraw/zinc/87/66/43/483876643.db2.gz XSUGOXYSEBGKLB-PMPSAXMXSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000642912553 483876506 /nfs/dbraw/zinc/87/65/06/483876506.db2.gz XSUGOXYSEBGKLB-XHSDSOJGSA-N 1 3 351.495 -0.389 20 0 FBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000642912566 483876528 /nfs/dbraw/zinc/87/65/28/483876528.db2.gz YKEMUHVZGRHYFW-CABCVRRESA-N 1 3 365.478 -0.861 20 0 FBADHO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000642912567 483876772 /nfs/dbraw/zinc/87/67/72/483876772.db2.gz YKEMUHVZGRHYFW-GJZGRUSLSA-N 1 3 365.478 -0.861 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000642912568 483876787 /nfs/dbraw/zinc/87/67/87/483876787.db2.gz YKEMUHVZGRHYFW-HUUCEWRRSA-N 1 3 365.478 -0.861 20 0 FBADHO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000642912569 483876747 /nfs/dbraw/zinc/87/67/47/483876747.db2.gz YKEMUHVZGRHYFW-LSDHHAIUSA-N 1 3 365.478 -0.861 20 0 FBADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642921186 483881629 /nfs/dbraw/zinc/88/16/29/483881629.db2.gz GZQMGFNZNJEFJS-INIZCTEOSA-N 1 3 353.511 -0.271 20 0 FBADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642921187 483881753 /nfs/dbraw/zinc/88/17/53/483881753.db2.gz GZQMGFNZNJEFJS-MRXNPFEDSA-N 1 3 353.511 -0.271 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000642929573 483888745 /nfs/dbraw/zinc/88/87/45/483888745.db2.gz DGNNPMWIRCGORY-HNNXBMFYSA-N 1 3 365.478 -0.989 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000642929574 483888711 /nfs/dbraw/zinc/88/87/11/483888711.db2.gz DGNNPMWIRCGORY-OAHLLOKOSA-N 1 3 365.478 -0.989 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929769 483888892 /nfs/dbraw/zinc/88/88/92/483888892.db2.gz GRKUCSFPWCEFII-CVEARBPZSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929770 483888661 /nfs/dbraw/zinc/88/86/61/483888661.db2.gz GRKUCSFPWCEFII-HOTGVXAUSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929771 483888883 /nfs/dbraw/zinc/88/88/83/483888883.db2.gz GRKUCSFPWCEFII-HZPDHXFCSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000642929772 483888922 /nfs/dbraw/zinc/88/89/22/483888922.db2.gz GRKUCSFPWCEFII-JKSUJKDBSA-N 1 3 351.495 -0.517 20 0 FBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642941826 484017807 /nfs/dbraw/zinc/01/78/07/484017807.db2.gz YFMWMFGRCUNTMS-CVEARBPZSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642941827 484016640 /nfs/dbraw/zinc/01/66/40/484016640.db2.gz YFMWMFGRCUNTMS-HOTGVXAUSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642941828 484017891 /nfs/dbraw/zinc/01/78/91/484017891.db2.gz YFMWMFGRCUNTMS-HZPDHXFCSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642941829 484017069 /nfs/dbraw/zinc/01/70/69/484017069.db2.gz YFMWMFGRCUNTMS-JKSUJKDBSA-N 1 3 353.511 -0.286 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000642957020 484249111 /nfs/dbraw/zinc/24/91/11/484249111.db2.gz MVHIYYOHZVMHPT-IKGGRYGDSA-N 1 3 365.522 -0.142 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000642957021 484250179 /nfs/dbraw/zinc/25/01/79/484250179.db2.gz MVHIYYOHZVMHPT-IXDOHACOSA-N 1 3 365.522 -0.142 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000642957022 484250132 /nfs/dbraw/zinc/25/01/32/484250132.db2.gz MVHIYYOHZVMHPT-ULQDDVLXSA-N 1 3 365.522 -0.142 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000642957023 484249620 /nfs/dbraw/zinc/24/96/20/484249620.db2.gz MVHIYYOHZVMHPT-YESZJQIVSA-N 1 3 365.522 -0.142 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642958946 484341672 /nfs/dbraw/zinc/34/16/72/484341672.db2.gz SANUJZLLJGCHQQ-DZGCQCFKSA-N 1 3 361.446 -0.041 20 0 FBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642958947 484341036 /nfs/dbraw/zinc/34/10/36/484341036.db2.gz SANUJZLLJGCHQQ-HIFRSBDPSA-N 1 3 361.446 -0.041 20 0 FBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642958948 484341532 /nfs/dbraw/zinc/34/15/32/484341532.db2.gz SANUJZLLJGCHQQ-UKRRQHHQSA-N 1 3 361.446 -0.041 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642958949 484341420 /nfs/dbraw/zinc/34/14/20/484341420.db2.gz SANUJZLLJGCHQQ-ZFWWWQNUSA-N 1 3 361.446 -0.041 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969249 484404634 /nfs/dbraw/zinc/40/46/34/484404634.db2.gz JYUDYKJDHMHVAJ-DLBZAZTESA-N 1 3 365.522 -0.142 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969250 484404792 /nfs/dbraw/zinc/40/47/92/484404792.db2.gz JYUDYKJDHMHVAJ-IAGOWNOFSA-N 1 3 365.522 -0.142 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969251 484404310 /nfs/dbraw/zinc/40/43/10/484404310.db2.gz JYUDYKJDHMHVAJ-IRXDYDNUSA-N 1 3 365.522 -0.142 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C1 ZINC000642969252 484404658 /nfs/dbraw/zinc/40/46/58/484404658.db2.gz JYUDYKJDHMHVAJ-SJORKVTESA-N 1 3 365.522 -0.142 20 0 FBADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642975100 484404938 /nfs/dbraw/zinc/40/49/38/484404938.db2.gz GEJMRMODRMEZSN-HNNXBMFYSA-N 1 3 353.511 -0.142 20 0 FBADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642975101 484405075 /nfs/dbraw/zinc/40/50/75/484405075.db2.gz GEJMRMODRMEZSN-OAHLLOKOSA-N 1 3 353.511 -0.142 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642980035 484406546 /nfs/dbraw/zinc/40/65/46/484406546.db2.gz WFWXIMQUZFUEJI-HNNXBMFYSA-N 1 3 367.494 -0.743 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642980036 484406973 /nfs/dbraw/zinc/40/69/73/484406973.db2.gz WFWXIMQUZFUEJI-OAHLLOKOSA-N 1 3 367.494 -0.743 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642980824 484405981 /nfs/dbraw/zinc/40/59/81/484405981.db2.gz MMLICSKKLOZIRH-AWEZNQCLSA-N 1 3 361.446 -0.003 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642980825 484407150 /nfs/dbraw/zinc/40/71/50/484407150.db2.gz MMLICSKKLOZIRH-CQSZACIVSA-N 1 3 361.446 -0.003 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642987645 484406758 /nfs/dbraw/zinc/40/67/58/484406758.db2.gz ZPESGOREWVFSHN-BZUAXINKSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642987646 484406284 /nfs/dbraw/zinc/40/62/84/484406284.db2.gz ZPESGOREWVFSHN-OAGGEKHMSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642987647 484407139 /nfs/dbraw/zinc/40/71/39/484407139.db2.gz ZPESGOREWVFSHN-OWCLPIDISA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642987648 484406521 /nfs/dbraw/zinc/40/65/21/484406521.db2.gz ZPESGOREWVFSHN-PMPSAXMXSA-N 1 3 351.495 -0.661 20 0 FBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642988249 484406422 /nfs/dbraw/zinc/40/64/22/484406422.db2.gz PTZQKANZOIQBBJ-CVEARBPZSA-N 1 3 353.511 -0.142 20 0 FBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000642988250 484406635 /nfs/dbraw/zinc/40/66/35/484406635.db2.gz PTZQKANZOIQBBJ-HOTGVXAUSA-N 1 3 353.511 -0.142 20 0 FBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642988251 484406725 /nfs/dbraw/zinc/40/67/25/484406725.db2.gz PTZQKANZOIQBBJ-HZPDHXFCSA-N 1 3 353.511 -0.142 20 0 FBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000642988252 484406325 /nfs/dbraw/zinc/40/63/25/484406325.db2.gz PTZQKANZOIQBBJ-JKSUJKDBSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000642990433 484407060 /nfs/dbraw/zinc/40/70/60/484407060.db2.gz DPEFJLAZFKECDP-CABCVRRESA-N 1 3 365.478 -0.990 20 0 FBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000642990434 484406958 /nfs/dbraw/zinc/40/69/58/484406958.db2.gz DPEFJLAZFKECDP-GJZGRUSLSA-N 1 3 365.478 -0.990 20 0 FBADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000642990435 484406004 /nfs/dbraw/zinc/40/60/04/484406004.db2.gz DPEFJLAZFKECDP-HUUCEWRRSA-N 1 3 365.478 -0.990 20 0 FBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000642990436 484406879 /nfs/dbraw/zinc/40/68/79/484406879.db2.gz DPEFJLAZFKECDP-LSDHHAIUSA-N 1 3 365.478 -0.990 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643372150 484290873 /nfs/dbraw/zinc/29/08/73/484290873.db2.gz YJGNRRMCJFMLSB-DLBZAZTESA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643372150 484290865 /nfs/dbraw/zinc/29/08/65/484290865.db2.gz YJGNRRMCJFMLSB-DLBZAZTESA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000643372151 484290933 /nfs/dbraw/zinc/29/09/33/484290933.db2.gz YJGNRRMCJFMLSB-IAGOWNOFSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643372151 484290929 /nfs/dbraw/zinc/29/09/29/484290929.db2.gz YJGNRRMCJFMLSB-IAGOWNOFSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643372152 484290715 /nfs/dbraw/zinc/29/07/15/484290715.db2.gz YJGNRRMCJFMLSB-IRXDYDNUSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643372152 484290709 /nfs/dbraw/zinc/29/07/09/484290709.db2.gz YJGNRRMCJFMLSB-IRXDYDNUSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000643372153 484290837 /nfs/dbraw/zinc/29/08/37/484290837.db2.gz YJGNRRMCJFMLSB-SJORKVTESA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643372153 484290832 /nfs/dbraw/zinc/29/08/32/484290832.db2.gz YJGNRRMCJFMLSB-SJORKVTESA-N 1 3 365.522 -0.223 20 0 FBADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643478935 484678237 /nfs/dbraw/zinc/67/82/37/484678237.db2.gz SEVMREBRYVMDTM-KRWDZBQOSA-N 1 3 372.473 -0.764 20 0 FBADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000643478936 484678433 /nfs/dbraw/zinc/67/84/33/484678433.db2.gz SEVMREBRYVMDTM-QGZVFWFLSA-N 1 3 372.473 -0.764 20 0 FBADHO O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(c2ccncc2)CC1 ZINC000643478946 484678016 /nfs/dbraw/zinc/67/80/16/484678016.db2.gz UJPLWWYCRNIEJZ-KRWDZBQOSA-N 1 3 372.473 -0.764 20 0 FBADHO O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(c2ccncc2)CC1 ZINC000643478947 484677647 /nfs/dbraw/zinc/67/76/47/484677647.db2.gz UJPLWWYCRNIEJZ-QGZVFWFLSA-N 1 3 372.473 -0.764 20 0 FBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643489743 485142397 /nfs/dbraw/zinc/14/23/97/485142397.db2.gz BVOAIGBQMOCWAM-CVEARBPZSA-N 1 3 351.495 -0.707 20 0 FBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643489744 485142893 /nfs/dbraw/zinc/14/28/93/485142893.db2.gz BVOAIGBQMOCWAM-HOTGVXAUSA-N 1 3 351.495 -0.707 20 0 FBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643489745 485142344 /nfs/dbraw/zinc/14/23/44/485142344.db2.gz BVOAIGBQMOCWAM-HZPDHXFCSA-N 1 3 351.495 -0.707 20 0 FBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643489746 485142745 /nfs/dbraw/zinc/14/27/45/485142745.db2.gz BVOAIGBQMOCWAM-JKSUJKDBSA-N 1 3 351.495 -0.707 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCN1 ZINC000643490548 485144749 /nfs/dbraw/zinc/14/47/49/485144749.db2.gz WKAMWGZQGBNNJX-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCN1 ZINC000643490548 485144746 /nfs/dbraw/zinc/14/47/46/485144746.db2.gz WKAMWGZQGBNNJX-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCN1 ZINC000643490548 485144740 /nfs/dbraw/zinc/14/47/40/485144740.db2.gz WKAMWGZQGBNNJX-QGZVFWFLSA-N 1 3 367.538 -0.073 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000643500345 485289555 /nfs/dbraw/zinc/28/95/55/485289555.db2.gz HTGHXPWVXZTYRQ-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000643500346 485289310 /nfs/dbraw/zinc/28/93/10/485289310.db2.gz HTGHXPWVXZTYRQ-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCO1 ZINC000643502768 485294485 /nfs/dbraw/zinc/29/44/85/485294485.db2.gz QFBWIRGKGBSEJT-KKUMJFAQSA-N 1 3 356.467 -0.870 20 0 FBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCO1 ZINC000643502769 485294536 /nfs/dbraw/zinc/29/45/36/485294536.db2.gz QFBWIRGKGBSEJT-RRFJBIMHSA-N 1 3 356.467 -0.870 20 0 FBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCO1 ZINC000643502770 485294866 /nfs/dbraw/zinc/29/48/66/485294866.db2.gz QFBWIRGKGBSEJT-SOUVJXGZSA-N 1 3 356.467 -0.870 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCO1 ZINC000643502771 485294606 /nfs/dbraw/zinc/29/46/06/485294606.db2.gz QFBWIRGKGBSEJT-ZNMIVQPWSA-N 1 3 356.467 -0.870 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643502862 485294583 /nfs/dbraw/zinc/29/45/83/485294583.db2.gz UBZXCVWTYCLKME-HRCADAONSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643502863 485294918 /nfs/dbraw/zinc/29/49/18/485294918.db2.gz UBZXCVWTYCLKME-JYJNAYRXSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643502864 485294325 /nfs/dbraw/zinc/29/43/25/485294325.db2.gz UBZXCVWTYCLKME-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643502865 485294465 /nfs/dbraw/zinc/29/44/65/485294465.db2.gz UBZXCVWTYCLKME-PMPSAXMXSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000643509526 485318121 /nfs/dbraw/zinc/31/81/21/485318121.db2.gz IPFUPXJSCRUZRU-UHFFFAOYSA-N 1 3 367.538 -0.071 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643509701 485319683 /nfs/dbraw/zinc/31/96/83/485319683.db2.gz LHQLLBBCKWNXJC-UHFFFAOYSA-N 1 3 367.494 -0.661 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@@H](C)N1 ZINC000643510677 485339506 /nfs/dbraw/zinc/33/95/06/485339506.db2.gz OACXJZVNBXUWHQ-BFYDXBDKSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@@H](C)N1 ZINC000643510677 485339503 /nfs/dbraw/zinc/33/95/03/485339503.db2.gz OACXJZVNBXUWHQ-BFYDXBDKSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)N1 ZINC000643510677 485339498 /nfs/dbraw/zinc/33/94/98/485339498.db2.gz OACXJZVNBXUWHQ-BFYDXBDKSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)N1 ZINC000643510678 485339829 /nfs/dbraw/zinc/33/98/29/485339829.db2.gz OACXJZVNBXUWHQ-HLLBOEOZSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H](C)N1 ZINC000643510678 485339827 /nfs/dbraw/zinc/33/98/27/485339827.db2.gz OACXJZVNBXUWHQ-HLLBOEOZSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)N1 ZINC000643510678 485339825 /nfs/dbraw/zinc/33/98/25/485339825.db2.gz OACXJZVNBXUWHQ-HLLBOEOZSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@@H](C)N1 ZINC000643510679 485340016 /nfs/dbraw/zinc/34/00/16/485340016.db2.gz OACXJZVNBXUWHQ-INMHGKMJSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@@H](C)N1 ZINC000643510679 485340015 /nfs/dbraw/zinc/34/00/15/485340015.db2.gz OACXJZVNBXUWHQ-INMHGKMJSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)N1 ZINC000643510679 485340011 /nfs/dbraw/zinc/34/00/11/485340011.db2.gz OACXJZVNBXUWHQ-INMHGKMJSA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H](C)N1 ZINC000643510680 485339861 /nfs/dbraw/zinc/33/98/61/485339861.db2.gz OACXJZVNBXUWHQ-UXLLHSPISA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H](C)N1 ZINC000643510680 485339859 /nfs/dbraw/zinc/33/98/59/485339859.db2.gz OACXJZVNBXUWHQ-UXLLHSPISA-N 1 3 365.522 -0.178 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)N1 ZINC000643510680 485339856 /nfs/dbraw/zinc/33/98/56/485339856.db2.gz OACXJZVNBXUWHQ-UXLLHSPISA-N 1 3 365.522 -0.178 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643511219 485341314 /nfs/dbraw/zinc/34/13/14/485341314.db2.gz TUHQBQUAOOCCRA-CABCVRRESA-N 1 3 358.483 -0.622 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643511220 485340993 /nfs/dbraw/zinc/34/09/93/485340993.db2.gz TUHQBQUAOOCCRA-GJZGRUSLSA-N 1 3 358.483 -0.622 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643511221 485341041 /nfs/dbraw/zinc/34/10/41/485341041.db2.gz TUHQBQUAOOCCRA-HUUCEWRRSA-N 1 3 358.483 -0.622 20 0 FBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643511222 485340964 /nfs/dbraw/zinc/34/09/64/485340964.db2.gz TUHQBQUAOOCCRA-LSDHHAIUSA-N 1 3 358.483 -0.622 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCO1 ZINC000643513191 485354892 /nfs/dbraw/zinc/35/48/92/485354892.db2.gz DNIQWFXMMIGRHM-HNNXBMFYSA-N 1 3 352.479 -0.232 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCO1 ZINC000643513192 485354588 /nfs/dbraw/zinc/35/45/88/485354588.db2.gz DNIQWFXMMIGRHM-OAHLLOKOSA-N 1 3 352.479 -0.232 20 0 FBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000643513511 485356005 /nfs/dbraw/zinc/35/60/05/485356005.db2.gz GGMGOKFZUYJWOE-CVEARBPZSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000643513512 485355437 /nfs/dbraw/zinc/35/54/37/485355437.db2.gz GGMGOKFZUYJWOE-HOTGVXAUSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000643513513 485356539 /nfs/dbraw/zinc/35/65/39/485356539.db2.gz GGMGOKFZUYJWOE-HZPDHXFCSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000643513514 485356194 /nfs/dbraw/zinc/35/61/94/485356194.db2.gz GGMGOKFZUYJWOE-JKSUJKDBSA-N 1 3 351.495 -0.565 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000643513539 485356453 /nfs/dbraw/zinc/35/64/53/485356453.db2.gz LGBKNMSQPLKJPB-GPMSIDNRSA-N 1 3 365.522 -0.332 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000643513540 485356272 /nfs/dbraw/zinc/35/62/72/485356272.db2.gz LGBKNMSQPLKJPB-JTDSTZFVSA-N 1 3 365.522 -0.332 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@H]1C[NH3+] ZINC000643513551 485356136 /nfs/dbraw/zinc/35/61/36/485356136.db2.gz ODICNCCTZVXSGH-BRWVUGGUSA-N 1 3 365.522 -0.332 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@@H]1C[NH3+] ZINC000643513552 485356324 /nfs/dbraw/zinc/35/63/24/485356324.db2.gz ODICNCCTZVXSGH-IKGGRYGDSA-N 1 3 365.522 -0.332 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C[C@@H]1C[NH3+] ZINC000643513553 485356168 /nfs/dbraw/zinc/35/61/68/485356168.db2.gz ODICNCCTZVXSGH-IXDOHACOSA-N 1 3 365.522 -0.332 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C[C@H]1C[NH3+] ZINC000643513554 485356288 /nfs/dbraw/zinc/35/62/88/485356288.db2.gz ODICNCCTZVXSGH-ZACQAIPSSA-N 1 3 365.522 -0.332 20 0 FBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643513658 485356156 /nfs/dbraw/zinc/35/61/56/485356156.db2.gz XGMDDHZFGFDROV-HNNXBMFYSA-N 1 3 353.511 -0.332 20 0 FBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643513660 485356083 /nfs/dbraw/zinc/35/60/83/485356083.db2.gz XGMDDHZFGFDROV-OAHLLOKOSA-N 1 3 353.511 -0.332 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)C1 ZINC000643513675 485356307 /nfs/dbraw/zinc/35/63/07/485356307.db2.gz ZVJBDWWRIMFPGD-IKGGRYGDSA-N 1 3 363.506 -0.565 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)C1 ZINC000643513677 485356256 /nfs/dbraw/zinc/35/62/56/485356256.db2.gz ZVJBDWWRIMFPGD-IXDOHACOSA-N 1 3 363.506 -0.565 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)CC2)C1 ZINC000643513679 485356487 /nfs/dbraw/zinc/35/64/87/485356487.db2.gz ZVJBDWWRIMFPGD-ULQDDVLXSA-N 1 3 363.506 -0.565 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)C1 ZINC000643513681 485356507 /nfs/dbraw/zinc/35/65/07/485356507.db2.gz ZVJBDWWRIMFPGD-YESZJQIVSA-N 1 3 363.506 -0.565 20 0 FBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCO1 ZINC000643524283 483938587 /nfs/dbraw/zinc/93/85/87/483938587.db2.gz CXZQMKZEACLPMB-DZGCQCFKSA-N 1 3 352.435 -0.256 20 0 FBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCO1 ZINC000643524284 483938761 /nfs/dbraw/zinc/93/87/61/483938761.db2.gz CXZQMKZEACLPMB-HIFRSBDPSA-N 1 3 352.435 -0.256 20 0 FBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCO1 ZINC000643524285 483938061 /nfs/dbraw/zinc/93/80/61/483938061.db2.gz CXZQMKZEACLPMB-UKRRQHHQSA-N 1 3 352.435 -0.256 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCO1 ZINC000643524286 483938535 /nfs/dbraw/zinc/93/85/35/483938535.db2.gz CXZQMKZEACLPMB-ZFWWWQNUSA-N 1 3 352.435 -0.256 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643527886 483943343 /nfs/dbraw/zinc/94/33/43/483943343.db2.gz URASRADPQDGTEJ-CABCVRRESA-N 1 3 373.457 -0.051 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643527887 483943226 /nfs/dbraw/zinc/94/32/26/483943226.db2.gz URASRADPQDGTEJ-GJZGRUSLSA-N 1 3 373.457 -0.051 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643527888 483943726 /nfs/dbraw/zinc/94/37/26/483943726.db2.gz URASRADPQDGTEJ-HUUCEWRRSA-N 1 3 373.457 -0.051 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643527889 483944120 /nfs/dbraw/zinc/94/41/20/483944120.db2.gz URASRADPQDGTEJ-LSDHHAIUSA-N 1 3 373.457 -0.051 20 0 FBADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000643531805 483960951 /nfs/dbraw/zinc/96/09/51/483960951.db2.gz MWSDUKNCBRUZTC-DLBZAZTESA-N 1 3 360.458 -0.095 20 0 FBADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000643531806 483960613 /nfs/dbraw/zinc/96/06/13/483960613.db2.gz MWSDUKNCBRUZTC-IAGOWNOFSA-N 1 3 360.458 -0.095 20 0 FBADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000643531807 483961229 /nfs/dbraw/zinc/96/12/29/483961229.db2.gz MWSDUKNCBRUZTC-IRXDYDNUSA-N 1 3 360.458 -0.095 20 0 FBADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000643531808 483960557 /nfs/dbraw/zinc/96/05/57/483960557.db2.gz MWSDUKNCBRUZTC-SJORKVTESA-N 1 3 360.458 -0.095 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643567591 483416750 /nfs/dbraw/zinc/41/67/50/483416750.db2.gz RIUMPDWKPQIDAC-CVEARBPZSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643567592 483416981 /nfs/dbraw/zinc/41/69/81/483416981.db2.gz RIUMPDWKPQIDAC-HOTGVXAUSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643567593 483416759 /nfs/dbraw/zinc/41/67/59/483416759.db2.gz RIUMPDWKPQIDAC-HZPDHXFCSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643567594 483416548 /nfs/dbraw/zinc/41/65/48/483416548.db2.gz RIUMPDWKPQIDAC-JKSUJKDBSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000643574472 483417628 /nfs/dbraw/zinc/41/76/28/483417628.db2.gz IPQFOLOHMZLBEH-CVEARBPZSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000643574473 483417981 /nfs/dbraw/zinc/41/79/81/483417981.db2.gz IPQFOLOHMZLBEH-HOTGVXAUSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)C1 ZINC000643574474 483417659 /nfs/dbraw/zinc/41/76/59/483417659.db2.gz IPQFOLOHMZLBEH-HZPDHXFCSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)C1 ZINC000643574475 483417941 /nfs/dbraw/zinc/41/79/41/483417941.db2.gz IPQFOLOHMZLBEH-JKSUJKDBSA-N 1 3 351.495 -0.435 20 0 FBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000643576959 483419079 /nfs/dbraw/zinc/41/90/79/483419079.db2.gz SIQSCCFXWARHNI-CVEARBPZSA-N 1 3 369.510 -0.953 20 0 FBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000643576960 483419083 /nfs/dbraw/zinc/41/90/83/483419083.db2.gz SIQSCCFXWARHNI-HOTGVXAUSA-N 1 3 369.510 -0.953 20 0 FBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000643576961 483419099 /nfs/dbraw/zinc/41/90/99/483419099.db2.gz SIQSCCFXWARHNI-HZPDHXFCSA-N 1 3 369.510 -0.953 20 0 FBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000643576962 483418652 /nfs/dbraw/zinc/41/86/52/483418652.db2.gz SIQSCCFXWARHNI-JKSUJKDBSA-N 1 3 369.510 -0.953 20 0 FBADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000643577012 483419094 /nfs/dbraw/zinc/41/90/94/483419094.db2.gz ZBGNGIJTWQAQGY-MSOLQXFVSA-N 1 3 373.501 -0.179 20 0 FBADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000643577013 483419105 /nfs/dbraw/zinc/41/91/05/483419105.db2.gz ZBGNGIJTWQAQGY-QZTJIDSGSA-N 1 3 373.501 -0.179 20 0 FBADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000643577014 483419110 /nfs/dbraw/zinc/41/91/10/483419110.db2.gz ZBGNGIJTWQAQGY-ROUUACIJSA-N 1 3 373.501 -0.179 20 0 FBADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000643577015 483418468 /nfs/dbraw/zinc/41/84/68/483418468.db2.gz ZBGNGIJTWQAQGY-ZWKOTPCHSA-N 1 3 373.501 -0.179 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000643580980 483419838 /nfs/dbraw/zinc/41/98/38/483419838.db2.gz LLNYKDAMWMRWEZ-CALCHBBNSA-N 1 3 365.522 -0.175 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000643580980 483419831 /nfs/dbraw/zinc/41/98/31/483419831.db2.gz LLNYKDAMWMRWEZ-CALCHBBNSA-N 1 3 365.522 -0.175 20 0 FBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000643580981 483419933 /nfs/dbraw/zinc/41/99/33/483419933.db2.gz LLNYKDAMWMRWEZ-IAGOWNOFSA-N 1 3 365.522 -0.175 20 0 FBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000643580982 483420225 /nfs/dbraw/zinc/42/02/25/483420225.db2.gz LLNYKDAMWMRWEZ-IRXDYDNUSA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN(C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000643591227 483423508 /nfs/dbraw/zinc/42/35/08/483423508.db2.gz BFCYLFRWJGREDZ-DLBZAZTESA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN(C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000643591228 483424413 /nfs/dbraw/zinc/42/44/13/483424413.db2.gz BFCYLFRWJGREDZ-IAGOWNOFSA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN(C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000643591229 483423963 /nfs/dbraw/zinc/42/39/63/483423963.db2.gz BFCYLFRWJGREDZ-IRXDYDNUSA-N 1 3 365.522 -0.175 20 0 FBADHO CCCN(C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000643591230 483423831 /nfs/dbraw/zinc/42/38/31/483423831.db2.gz BFCYLFRWJGREDZ-SJORKVTESA-N 1 3 365.522 -0.175 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643591579 483425247 /nfs/dbraw/zinc/42/52/47/483425247.db2.gz PGUCGUUXNWIVOP-IKGGRYGDSA-N 1 3 363.506 -0.422 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000643591580 483425591 /nfs/dbraw/zinc/42/55/91/483425591.db2.gz PGUCGUUXNWIVOP-IXDOHACOSA-N 1 3 363.506 -0.422 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643591835 483425194 /nfs/dbraw/zinc/42/51/94/483425194.db2.gz XYUQUUNWIHNBHJ-BBWFWOEESA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643591836 483425521 /nfs/dbraw/zinc/42/55/21/483425521.db2.gz XYUQUUNWIHNBHJ-GVDBMIGSSA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643591837 483425380 /nfs/dbraw/zinc/42/53/80/483425380.db2.gz XYUQUUNWIHNBHJ-ULQDDVLXSA-N 1 3 365.522 -0.047 20 0 FBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643591839 483424745 /nfs/dbraw/zinc/42/47/45/483424745.db2.gz XYUQUUNWIHNBHJ-YESZJQIVSA-N 1 3 365.522 -0.047 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CCN1 ZINC000643592551 483426566 /nfs/dbraw/zinc/42/65/66/483426566.db2.gz ZAIIZRVDXYLRSF-MRXNPFEDSA-N 1 3 355.527 -0.215 20 0 FBADHO CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CCN1 ZINC000643592551 483426565 /nfs/dbraw/zinc/42/65/65/483426565.db2.gz ZAIIZRVDXYLRSF-MRXNPFEDSA-N 1 3 355.527 -0.215 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)[C@@H]1C[NH3+] ZINC000643593281 483428086 /nfs/dbraw/zinc/42/80/86/483428086.db2.gz XQBFNTPVXWXDAF-BRWVUGGUSA-N 1 3 365.522 -0.189 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)[C@H]1C[NH3+] ZINC000643593282 483428469 /nfs/dbraw/zinc/42/84/69/483428469.db2.gz XQBFNTPVXWXDAF-IKGGRYGDSA-N 1 3 365.522 -0.189 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)[C@@H]1C[NH3+] ZINC000643593283 483427679 /nfs/dbraw/zinc/42/76/79/483427679.db2.gz XQBFNTPVXWXDAF-IXDOHACOSA-N 1 3 365.522 -0.189 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)[C@H]1C[NH3+] ZINC000643593284 483427660 /nfs/dbraw/zinc/42/76/60/483427660.db2.gz XQBFNTPVXWXDAF-ZACQAIPSSA-N 1 3 365.522 -0.189 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000643594147 483429167 /nfs/dbraw/zinc/42/91/67/483429167.db2.gz BWWPNLUTNRDZHA-CVEARBPZSA-N 1 3 364.490 -0.232 20 0 FBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000643594166 483429602 /nfs/dbraw/zinc/42/96/02/483429602.db2.gz DXHBGJXAUNVYEQ-OAGGEKHMSA-N 1 3 362.474 -0.480 20 0 FBADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000643594167 483429635 /nfs/dbraw/zinc/42/96/35/483429635.db2.gz DXHBGJXAUNVYEQ-XHSDSOJGSA-N 1 3 362.474 -0.480 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@H]1N(C)C ZINC000643594193 483428940 /nfs/dbraw/zinc/42/89/40/483428940.db2.gz LIPHFXMBSLLFAF-FPCVCCKLSA-N 1 3 364.490 -0.378 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@@H]1N(C)C ZINC000643594194 483429461 /nfs/dbraw/zinc/42/94/61/483429461.db2.gz LIPHFXMBSLLFAF-FZKCQIBNSA-N 1 3 364.490 -0.378 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@H]1N(C)C ZINC000643594195 483428988 /nfs/dbraw/zinc/42/89/88/483428988.db2.gz LIPHFXMBSLLFAF-JJXSEGSLSA-N 1 3 364.490 -0.378 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C[C@@H]1N(C)C ZINC000643594196 483429233 /nfs/dbraw/zinc/42/92/33/483429233.db2.gz LIPHFXMBSLLFAF-WCVJEAGWSA-N 1 3 364.490 -0.378 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000643594232 483429623 /nfs/dbraw/zinc/42/96/23/483429623.db2.gz QSKNZSVFEBGQHK-OAGGEKHMSA-N 1 3 364.490 -0.234 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000643594233 483429549 /nfs/dbraw/zinc/42/95/49/483429549.db2.gz QSKNZSVFEBGQHK-XHSDSOJGSA-N 1 3 364.490 -0.234 20 0 FBADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644225572 484424523 /nfs/dbraw/zinc/42/45/23/484424523.db2.gz CUBVNKLCHXLRLB-LTIDMASMSA-N 1 3 374.489 -0.242 20 0 FBADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644225572 484424519 /nfs/dbraw/zinc/42/45/19/484424519.db2.gz CUBVNKLCHXLRLB-LTIDMASMSA-N 1 3 374.489 -0.242 20 0 FBADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644225575 484423435 /nfs/dbraw/zinc/42/34/35/484423435.db2.gz CUBVNKLCHXLRLB-LUKYLMHMSA-N 1 3 374.489 -0.242 20 0 FBADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644225575 484423433 /nfs/dbraw/zinc/42/34/33/484423433.db2.gz CUBVNKLCHXLRLB-LUKYLMHMSA-N 1 3 374.489 -0.242 20 0 FBADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644225577 484423945 /nfs/dbraw/zinc/42/39/45/484423945.db2.gz CUBVNKLCHXLRLB-VVLHAWIVSA-N 1 3 374.489 -0.242 20 0 FBADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644225577 484423942 /nfs/dbraw/zinc/42/39/42/484423942.db2.gz CUBVNKLCHXLRLB-VVLHAWIVSA-N 1 3 374.489 -0.242 20 0 FBADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644225579 484423642 /nfs/dbraw/zinc/42/36/42/484423642.db2.gz CUBVNKLCHXLRLB-WCXIOVBPSA-N 1 3 374.489 -0.242 20 0 FBADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000644225579 484423635 /nfs/dbraw/zinc/42/36/35/484423635.db2.gz CUBVNKLCHXLRLB-WCXIOVBPSA-N 1 3 374.489 -0.242 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000644225643 484423976 /nfs/dbraw/zinc/42/39/76/484423976.db2.gz RLQIPRLPHIKFHS-JKSUJKDBSA-N 1 3 362.478 -0.384 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C[C@H]2N)cn1 ZINC000644225670 484423525 /nfs/dbraw/zinc/42/35/25/484423525.db2.gz YZNAIVQAPFRLOL-JKSUJKDBSA-N 1 3 374.489 -0.240 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)C[C@H]2N)cn1 ZINC000644226388 484423487 /nfs/dbraw/zinc/42/34/87/484423487.db2.gz GLOXITBCQPRRIS-FCEWJHQRSA-N 1 3 374.489 -0.383 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)C[C@H]2N)cn1 ZINC000644226388 484423486 /nfs/dbraw/zinc/42/34/86/484423486.db2.gz GLOXITBCQPRRIS-FCEWJHQRSA-N 1 3 374.489 -0.383 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)C[C@H]2N)cn1 ZINC000644226389 484424336 /nfs/dbraw/zinc/42/43/36/484424336.db2.gz GLOXITBCQPRRIS-FRQCXROJSA-N 1 3 374.489 -0.383 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)C[C@H]2N)cn1 ZINC000644226389 484424329 /nfs/dbraw/zinc/42/43/29/484424329.db2.gz GLOXITBCQPRRIS-FRQCXROJSA-N 1 3 374.489 -0.383 20 0 FBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000644226641 484423719 /nfs/dbraw/zinc/42/37/19/484423719.db2.gz QYTYGXIURQIRDG-HRCADAONSA-N 1 3 362.478 -0.338 20 0 FBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C1 ZINC000644226642 484424051 /nfs/dbraw/zinc/42/40/51/484424051.db2.gz QYTYGXIURQIRDG-OWCLPIDISA-N 1 3 362.478 -0.338 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000644226658 484423827 /nfs/dbraw/zinc/42/38/27/484423827.db2.gz SFXZBIIESQEGEF-LTIDMASMSA-N 1 3 374.489 -0.242 20 0 FBADHO COc1ccc(CCNC[C@H](O)C[N@@H+](C)C2CC2)cc1S(N)(=O)=O ZINC000644612710 483424708 /nfs/dbraw/zinc/42/47/08/483424708.db2.gz CANMEDQQUDKGMD-AWEZNQCLSA-N 1 3 357.476 -0.070 20 0 FBADHO COc1ccc(CCNC[C@H](O)C[N@H+](C)C2CC2)cc1S(N)(=O)=O ZINC000644612710 483424704 /nfs/dbraw/zinc/42/47/04/483424704.db2.gz CANMEDQQUDKGMD-AWEZNQCLSA-N 1 3 357.476 -0.070 20 0 FBADHO COc1ccc(CCNC[C@@H](O)C[N@@H+](C)C2CC2)cc1S(N)(=O)=O ZINC000644612712 483424676 /nfs/dbraw/zinc/42/46/76/483424676.db2.gz CANMEDQQUDKGMD-CQSZACIVSA-N 1 3 357.476 -0.070 20 0 FBADHO COc1ccc(CCNC[C@@H](O)C[N@H+](C)C2CC2)cc1S(N)(=O)=O ZINC000644612712 483424675 /nfs/dbraw/zinc/42/46/75/483424675.db2.gz CANMEDQQUDKGMD-CQSZACIVSA-N 1 3 357.476 -0.070 20 0 FBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000644669417 483428292 /nfs/dbraw/zinc/42/82/92/483428292.db2.gz ZYMQTIHFGFPHTE-DLBZAZTESA-N 1 3 359.511 -0.215 20 0 FBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000644669418 483427590 /nfs/dbraw/zinc/42/75/90/483427590.db2.gz ZYMQTIHFGFPHTE-IAGOWNOFSA-N 1 3 359.511 -0.215 20 0 FBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000644669419 483427215 /nfs/dbraw/zinc/42/72/15/483427215.db2.gz ZYMQTIHFGFPHTE-IRXDYDNUSA-N 1 3 359.511 -0.215 20 0 FBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000644669420 483428229 /nfs/dbraw/zinc/42/82/29/483428229.db2.gz ZYMQTIHFGFPHTE-SJORKVTESA-N 1 3 359.511 -0.215 20 0 FBADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064530 484167385 /nfs/dbraw/zinc/16/73/85/484167385.db2.gz LAOIIQDDMATSPD-DZUCGIPZSA-N 1 3 366.506 -0.063 20 0 FBADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064532 484167531 /nfs/dbraw/zinc/16/75/31/484167531.db2.gz LAOIIQDDMATSPD-LLLHUVSDSA-N 1 3 366.506 -0.063 20 0 FBADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064534 484166646 /nfs/dbraw/zinc/16/66/46/484166646.db2.gz LAOIIQDDMATSPD-SVGFKBNWSA-N 1 3 366.506 -0.063 20 0 FBADHO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000645064536 484166720 /nfs/dbraw/zinc/16/67/20/484166720.db2.gz LAOIIQDDMATSPD-XBVQOTNRSA-N 1 3 366.506 -0.063 20 0 FBADHO O=C(CNC[C@H]1CCCO1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645138612 484188106 /nfs/dbraw/zinc/18/81/06/484188106.db2.gz XOOVRDDQGNPERX-ARFHVFGLSA-N 1 3 352.479 -0.138 20 0 FBADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645138613 484187309 /nfs/dbraw/zinc/18/73/09/484187309.db2.gz XOOVRDDQGNPERX-HRCADAONSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000645233409 484243488 /nfs/dbraw/zinc/24/34/88/484243488.db2.gz DXAZUNGLKYBKHS-AWEZNQCLSA-N 1 3 355.483 -0.141 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000645233410 484243600 /nfs/dbraw/zinc/24/36/00/484243600.db2.gz DXAZUNGLKYBKHS-CQSZACIVSA-N 1 3 355.483 -0.141 20 0 FBADHO COCC[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000645262693 483501866 /nfs/dbraw/zinc/50/18/66/483501866.db2.gz KICJCXGHPOHRHV-AWEZNQCLSA-N 1 3 355.483 -0.141 20 0 FBADHO COCC[NH+]1CCC(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000645262694 483502279 /nfs/dbraw/zinc/50/22/79/483502279.db2.gz KICJCXGHPOHRHV-CQSZACIVSA-N 1 3 355.483 -0.141 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000645311410 483789324 /nfs/dbraw/zinc/78/93/24/483789324.db2.gz JNBVORKDHOWBDM-GASCZTMLSA-N 1 3 350.463 -0.111 20 0 FBADHO CC(C)Nc1nc(NCCO)nc(N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000645385305 484014112 /nfs/dbraw/zinc/01/41/12/484014112.db2.gz IGBGNYBBYUMSTG-UHFFFAOYSA-N 1 3 365.482 -0.759 20 0 FBADHO CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000645625282 484149521 /nfs/dbraw/zinc/14/95/21/484149521.db2.gz OAHNUSXKPSTBQV-DZGCQCFKSA-N 1 3 360.462 0.251 20 0 FBADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@H]2C1 ZINC000645625283 484149426 /nfs/dbraw/zinc/14/94/26/484149426.db2.gz OAHNUSXKPSTBQV-HIFRSBDPSA-N 1 3 360.462 0.251 20 0 FBADHO CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000645625284 484150439 /nfs/dbraw/zinc/15/04/39/484150439.db2.gz OAHNUSXKPSTBQV-UKRRQHHQSA-N 1 3 360.462 0.251 20 0 FBADHO CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000645625285 484150477 /nfs/dbraw/zinc/15/04/77/484150477.db2.gz OAHNUSXKPSTBQV-ZFWWWQNUSA-N 1 3 360.462 0.251 20 0 FBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCN1CCN(c2ccncc2)CC1 ZINC000645817423 484130818 /nfs/dbraw/zinc/13/08/18/484130818.db2.gz XGXVOKAQEJSRMZ-KRWDZBQOSA-N 1 3 374.489 -0.422 20 0 FBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCN1CCN(c2ccncc2)CC1 ZINC000645817424 484130993 /nfs/dbraw/zinc/13/09/93/484130993.db2.gz XGXVOKAQEJSRMZ-QGZVFWFLSA-N 1 3 374.489 -0.422 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002961 484659822 /nfs/dbraw/zinc/65/98/22/484659822.db2.gz LMEYEUHRFSTPRZ-CVEARBPZSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002962 484659656 /nfs/dbraw/zinc/65/96/56/484659656.db2.gz LMEYEUHRFSTPRZ-HOTGVXAUSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002963 484660579 /nfs/dbraw/zinc/66/05/79/484660579.db2.gz LMEYEUHRFSTPRZ-HZPDHXFCSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002964 484660626 /nfs/dbraw/zinc/66/06/26/484660626.db2.gz LMEYEUHRFSTPRZ-JKSUJKDBSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003275 484660652 /nfs/dbraw/zinc/66/06/52/484660652.db2.gz ZEUGPCQJJCAZQP-CVEARBPZSA-N 1 3 361.494 -0.118 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003276 484660121 /nfs/dbraw/zinc/66/01/21/484660121.db2.gz ZEUGPCQJJCAZQP-HOTGVXAUSA-N 1 3 361.494 -0.118 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003277 484659807 /nfs/dbraw/zinc/65/98/07/484659807.db2.gz ZEUGPCQJJCAZQP-HZPDHXFCSA-N 1 3 361.494 -0.118 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)C1 ZINC000646003278 484659934 /nfs/dbraw/zinc/65/99/34/484659934.db2.gz ZEUGPCQJJCAZQP-JKSUJKDBSA-N 1 3 361.494 -0.118 20 0 FBADHO CN(C)C[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@H](CO)C[NH+](C)C)s1 ZINC000646211039 485018403 /nfs/dbraw/zinc/01/84/03/485018403.db2.gz PPTAHNQXDCCFGP-RYUDHWBXSA-N 1 3 372.491 -0.947 20 0 FBADHO CN(C)C[C@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)s1 ZINC000646211041 485019378 /nfs/dbraw/zinc/01/93/78/485019378.db2.gz PPTAHNQXDCCFGP-VXGBXAGGSA-N 1 3 372.491 -0.947 20 0 FBADHO CS(=O)(=O)N1CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000646215701 485023609 /nfs/dbraw/zinc/02/36/09/485023609.db2.gz VUPPQQJJPSKJRN-UHFFFAOYSA-N 1 3 360.524 -0.008 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000646285211 484486288 /nfs/dbraw/zinc/48/62/88/484486288.db2.gz BGFRYSRWZNGNCH-CYBMUJFWSA-N 1 3 351.455 0.028 20 0 FBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000646285213 484144621 /nfs/dbraw/zinc/14/46/21/484144621.db2.gz BGFRYSRWZNGNCH-ZDUSSCGKSA-N 1 3 351.455 0.028 20 0 FBADHO C[C@@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C(=O)NCCN1CCCCC1 ZINC000646557961 484038866 /nfs/dbraw/zinc/03/88/66/484038866.db2.gz WVAKLODEASESAK-WZYMTQMTSA-N 1 3 364.490 -0.092 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)nnn2C ZINC000646620443 484108126 /nfs/dbraw/zinc/10/81/26/484108126.db2.gz WDHDSZZDJOORFC-UHFFFAOYSA-N 1 3 361.450 -0.141 20 0 FBADHO CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CCN(C)C1 ZINC000646997130 483553250 /nfs/dbraw/zinc/55/32/50/483553250.db2.gz QQXATKJQGLSOMD-DLBZAZTESA-N 1 3 367.538 -0.071 20 0 FBADHO CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CCN(C)C1 ZINC000646997131 483553473 /nfs/dbraw/zinc/55/34/73/483553473.db2.gz QQXATKJQGLSOMD-IAGOWNOFSA-N 1 3 367.538 -0.071 20 0 FBADHO CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CCN(C)C1 ZINC000646997132 483553353 /nfs/dbraw/zinc/55/33/53/483553353.db2.gz QQXATKJQGLSOMD-IRXDYDNUSA-N 1 3 367.538 -0.071 20 0 FBADHO CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CCN(C)C1 ZINC000646997133 483553172 /nfs/dbraw/zinc/55/31/72/483553172.db2.gz QQXATKJQGLSOMD-SJORKVTESA-N 1 3 367.538 -0.071 20 0 FBADHO O=C(CNC(=O)[C@@H]1CN2CCN1CCC2)NCC[NH+]1CCCCCC1 ZINC000647082003 483573613 /nfs/dbraw/zinc/57/36/13/483573613.db2.gz YHJVSGRUEDCKTH-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(CNC(=O)[C@H]1CN2CCN1CCC2)NCC[NH+]1CCCCCC1 ZINC000647082004 483573072 /nfs/dbraw/zinc/57/30/72/483573072.db2.gz YHJVSGRUEDCKTH-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647234806 483836034 /nfs/dbraw/zinc/83/60/34/483836034.db2.gz BEUFFZHKEVWJKJ-BXUZGUMPSA-N 1 3 359.496 -0.202 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647234807 483835716 /nfs/dbraw/zinc/83/57/16/483835716.db2.gz BEUFFZHKEVWJKJ-FZMZJTMJSA-N 1 3 359.496 -0.202 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647234808 483835734 /nfs/dbraw/zinc/83/57/34/483835734.db2.gz BEUFFZHKEVWJKJ-RISCZKNCSA-N 1 3 359.496 -0.202 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647234809 483835842 /nfs/dbraw/zinc/83/58/42/483835842.db2.gz BEUFFZHKEVWJKJ-SMDDNHRTSA-N 1 3 359.496 -0.202 20 0 FBADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000647414160 484129790 /nfs/dbraw/zinc/12/97/90/484129790.db2.gz SJNTVAJRSPGFEA-MOPGFXCFSA-N 1 3 358.486 -0.088 20 0 FBADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647414160 484129784 /nfs/dbraw/zinc/12/97/84/484129784.db2.gz SJNTVAJRSPGFEA-MOPGFXCFSA-N 1 3 358.486 -0.088 20 0 FBADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000647414161 484129658 /nfs/dbraw/zinc/12/96/58/484129658.db2.gz SJNTVAJRSPGFEA-RTBURBONSA-N 1 3 358.486 -0.088 20 0 FBADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647414161 484129651 /nfs/dbraw/zinc/12/96/51/484129651.db2.gz SJNTVAJRSPGFEA-RTBURBONSA-N 1 3 358.486 -0.088 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647557787 484305708 /nfs/dbraw/zinc/30/57/08/484305708.db2.gz CNVFABPNKIKHBA-UHFFFAOYSA-N 1 3 352.479 -0.136 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647558362 484307157 /nfs/dbraw/zinc/30/71/57/484307157.db2.gz GLJWXQNBBUAOCC-HNNXBMFYSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000647558363 484306850 /nfs/dbraw/zinc/30/68/50/484306850.db2.gz GLJWXQNBBUAOCC-OAHLLOKOSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647563573 484308290 /nfs/dbraw/zinc/30/82/90/484308290.db2.gz LOJLPQPRDWEOCP-UHFFFAOYSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647565397 484312963 /nfs/dbraw/zinc/31/29/63/484312963.db2.gz NBMQNZMRLDNKJB-HNNXBMFYSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647565398 484313303 /nfs/dbraw/zinc/31/33/03/484313303.db2.gz NBMQNZMRLDNKJB-OAHLLOKOSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000647593772 484324840 /nfs/dbraw/zinc/32/48/40/484324840.db2.gz GXVRHNNZPASZRZ-CHWSQXEVSA-N 1 3 351.451 -0.120 20 0 FBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000647593773 484324647 /nfs/dbraw/zinc/32/46/47/484324647.db2.gz GXVRHNNZPASZRZ-OLZOCXBDSA-N 1 3 351.451 -0.120 20 0 FBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000647593774 484325395 /nfs/dbraw/zinc/32/53/95/484325395.db2.gz GXVRHNNZPASZRZ-QWHCGFSZSA-N 1 3 351.451 -0.120 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000647593775 484324409 /nfs/dbraw/zinc/32/44/09/484324409.db2.gz GXVRHNNZPASZRZ-STQMWFEESA-N 1 3 351.451 -0.120 20 0 FBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000647594982 484325475 /nfs/dbraw/zinc/32/54/75/484325475.db2.gz FQOHQCVFLIREAX-BFHYXJOUSA-N 1 3 355.483 -0.713 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000647594983 484324216 /nfs/dbraw/zinc/32/42/16/484324216.db2.gz FQOHQCVFLIREAX-IHRRRGAJSA-N 1 3 355.483 -0.713 20 0 FBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000647594984 484325653 /nfs/dbraw/zinc/32/56/53/484325653.db2.gz FQOHQCVFLIREAX-MELADBBJSA-N 1 3 355.483 -0.713 20 0 FBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000647594985 484325074 /nfs/dbraw/zinc/32/50/74/484325074.db2.gz FQOHQCVFLIREAX-MJBXVCDLSA-N 1 3 355.483 -0.713 20 0 FBADHO CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CC[NH2+]CC1 ZINC000647835269 484299481 /nfs/dbraw/zinc/29/94/81/484299481.db2.gz SLIAAGSXIXVNSD-UHFFFAOYSA-N 1 3 369.491 -0.500 20 0 FBADHO Cn1c2ncn(CCN3CCC([C@H]4CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000647970022 483890317 /nfs/dbraw/zinc/89/03/17/483890317.db2.gz VDLMSOYIWQXJJJ-AWEZNQCLSA-N 1 3 360.462 -0.245 20 0 FBADHO Cn1c2ncn(CCN3CCC([C@@H]4CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000647970023 483890341 /nfs/dbraw/zinc/89/03/41/483890341.db2.gz VDLMSOYIWQXJJJ-CQSZACIVSA-N 1 3 360.462 -0.245 20 0 FBADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648759853 484352308 /nfs/dbraw/zinc/35/23/08/484352308.db2.gz XAMAPOMZYLMEQG-CABCVRRESA-N 1 3 360.524 -0.105 20 0 FBADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648759854 484352271 /nfs/dbraw/zinc/35/22/71/484352271.db2.gz XAMAPOMZYLMEQG-GJZGRUSLSA-N 1 3 360.524 -0.105 20 0 FBADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648759855 484353269 /nfs/dbraw/zinc/35/32/69/484353269.db2.gz XAMAPOMZYLMEQG-HUUCEWRRSA-N 1 3 360.524 -0.105 20 0 FBADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648759856 484352568 /nfs/dbraw/zinc/35/25/68/484352568.db2.gz XAMAPOMZYLMEQG-LSDHHAIUSA-N 1 3 360.524 -0.105 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1=O ZINC000649132937 484624885 /nfs/dbraw/zinc/62/48/85/484624885.db2.gz UNMBCYVPTJFQGF-HNNXBMFYSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1=O ZINC000649132938 484625427 /nfs/dbraw/zinc/62/54/27/484625427.db2.gz UNMBCYVPTJFQGF-OAHLLOKOSA-N 1 3 352.479 -0.280 20 0 FBADHO CN1CCC[C@H](NC(=O)C[C@@]2(C(=O)N[C@H]3CCCN(C)C3)CC[NH2+]C2)C1 ZINC000649304810 484845328 /nfs/dbraw/zinc/84/53/28/484845328.db2.gz IBPWQGGZLACGKQ-BXWFABGCSA-N 1 3 365.522 -0.223 20 0 FBADHO CN1CCC[C@@H](NC(=O)[C@]2(CC(=O)N[C@H]3CCCN(C)C3)CC[NH2+]C2)C1 ZINC000649304813 484845700 /nfs/dbraw/zinc/84/57/00/484845700.db2.gz IBPWQGGZLACGKQ-FCEWJHQRSA-N 1 3 365.522 -0.223 20 0 FBADHO CN1CCC[C@@H](NC(=O)[C@@]2(CC(=O)N[C@H]3CCCN(C)C3)CC[NH2+]C2)C1 ZINC000649304814 484845613 /nfs/dbraw/zinc/84/56/13/484845613.db2.gz IBPWQGGZLACGKQ-FRQCXROJSA-N 1 3 365.522 -0.223 20 0 FBADHO CN1CCC[C@H](NC(=O)C[C@]2(C(=O)N[C@H]3CCCN(C)C3)CC[NH2+]C2)C1 ZINC000649304815 484845069 /nfs/dbraw/zinc/84/50/69/484845069.db2.gz IBPWQGGZLACGKQ-TXPKVOOTSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)CC[NH+]1CCC(CNC(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000649306344 484849515 /nfs/dbraw/zinc/84/95/15/484849515.db2.gz MRYZRGAPYADLIA-INIZCTEOSA-N 1 3 353.511 -0.284 20 0 FBADHO CN(C)CC[NH+]1CCC(CNC(=O)CN2CCCC[C@@H](N)C2=O)CC1 ZINC000649306345 484849892 /nfs/dbraw/zinc/84/98/92/484849892.db2.gz MRYZRGAPYADLIA-MRXNPFEDSA-N 1 3 353.511 -0.284 20 0 FBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(N)Cc3ccccc3C2)cn1 ZINC000649340126 484931981 /nfs/dbraw/zinc/93/19/81/484931981.db2.gz DSBZCXYRLXGLOS-UHFFFAOYSA-N 1 3 370.457 -0.004 20 0 FBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000649340256 484936101 /nfs/dbraw/zinc/93/61/01/484936101.db2.gz MCELIKVQUSGPNV-GFCCVEGCSA-N 1 3 358.393 -0.256 20 0 FBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000649340257 484935527 /nfs/dbraw/zinc/93/55/27/484935527.db2.gz MCELIKVQUSGPNV-LBPRGKRZSA-N 1 3 358.393 -0.256 20 0 FBADHO CS(=O)(=O)C1(C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000649349595 484950664 /nfs/dbraw/zinc/95/06/64/484950664.db2.gz OWXDRSOUDCHBCJ-UHFFFAOYSA-N 1 3 352.460 -0.103 20 0 FBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCCC[C@H](N)C3=O)CC2)C1 ZINC000649352721 484956593 /nfs/dbraw/zinc/95/65/93/484956593.db2.gz GSPQYRXJZLEAGJ-CVEARBPZSA-N 1 3 351.495 -0.435 20 0 FBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCCC[C@H](N)C3=O)CC2)C1 ZINC000649352721 484956590 /nfs/dbraw/zinc/95/65/90/484956590.db2.gz GSPQYRXJZLEAGJ-CVEARBPZSA-N 1 3 351.495 -0.435 20 0 FBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3CCCC[C@H](N)C3=O)CC2)C1 ZINC000649352722 484956841 /nfs/dbraw/zinc/95/68/41/484956841.db2.gz GSPQYRXJZLEAGJ-HOTGVXAUSA-N 1 3 351.495 -0.435 20 0 FBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3CCCC[C@H](N)C3=O)CC2)C1 ZINC000649352722 484956834 /nfs/dbraw/zinc/95/68/34/484956834.db2.gz GSPQYRXJZLEAGJ-HOTGVXAUSA-N 1 3 351.495 -0.435 20 0 FBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCCC[C@@H](N)C3=O)CC2)C1 ZINC000649352723 484957191 /nfs/dbraw/zinc/95/71/91/484957191.db2.gz GSPQYRXJZLEAGJ-HZPDHXFCSA-N 1 3 351.495 -0.435 20 0 FBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3CCCC[C@@H](N)C3=O)CC2)C1 ZINC000649352723 484957184 /nfs/dbraw/zinc/95/71/84/484957184.db2.gz GSPQYRXJZLEAGJ-HZPDHXFCSA-N 1 3 351.495 -0.435 20 0 FBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)CN3CCCC[C@@H](N)C3=O)CC2)C1 ZINC000649352724 484957017 /nfs/dbraw/zinc/95/70/17/484957017.db2.gz GSPQYRXJZLEAGJ-JKSUJKDBSA-N 1 3 351.495 -0.435 20 0 FBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3CCCC[C@@H](N)C3=O)CC2)C1 ZINC000649352724 484957009 /nfs/dbraw/zinc/95/70/09/484957009.db2.gz GSPQYRXJZLEAGJ-JKSUJKDBSA-N 1 3 351.495 -0.435 20 0 FBADHO CN(CCC(=O)N1CCN(c2ncccn2)CC1)CCN1CC[NH2+]CC1 ZINC000649409650 484981677 /nfs/dbraw/zinc/98/16/77/484981677.db2.gz JIRCJEAHSDBZTJ-UHFFFAOYSA-N 1 3 361.494 -0.648 20 0 FBADHO CN(CCC(=O)N1CCN(c2ccccn2)CC1)CCN1CC[NH2+]CC1 ZINC000649409665 484981390 /nfs/dbraw/zinc/98/13/90/484981390.db2.gz LXXZWEQGJJIXEA-UHFFFAOYSA-N 1 3 360.506 -0.043 20 0 FBADHO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000649420910 484989653 /nfs/dbraw/zinc/98/96/53/484989653.db2.gz SCAUWXJKHZXKPX-HUUCEWRRSA-N 1 3 372.477 -0.129 20 0 FBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649422162 484987770 /nfs/dbraw/zinc/98/77/70/484987770.db2.gz FNHBPCWKZWKSSL-UHFFFAOYSA-N 1 3 372.539 -0.413 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000649687997 485154690 /nfs/dbraw/zinc/15/46/90/485154690.db2.gz NLDIMXUSEIIGDB-UHFFFAOYSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1=O ZINC000650061780 483963291 /nfs/dbraw/zinc/96/32/91/483963291.db2.gz OLDAXDJYDGPQDZ-UHFFFAOYSA-N 1 3 351.455 -0.318 20 0 FBADHO CCN1CC[NH+](CCCCNC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 ZINC000650657892 483880695 /nfs/dbraw/zinc/88/06/95/483880695.db2.gz VDJOUYITKDOOII-QGZVFWFLSA-N 1 3 353.511 -0.136 20 0 FBADHO COCCC[NH+]1CCC(NC(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000650824445 484080713 /nfs/dbraw/zinc/08/07/13/484080713.db2.gz PTLYYWARZVBKMO-UHFFFAOYSA-N 1 3 369.510 -0.097 20 0 FBADHO CN(C)CCN1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000650874204 484088210 /nfs/dbraw/zinc/08/82/10/484088210.db2.gz QLJNITNCMWAQPO-UHFFFAOYSA-N 1 3 355.483 -0.487 20 0 FBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC(N4CC[C@@H](O)C4)C3)C2)CC1 ZINC000650877341 484089145 /nfs/dbraw/zinc/08/91/45/484089145.db2.gz SNHCAKBWOHXFMB-RHSMWYFYSA-N 1 3 351.495 -0.385 20 0 FBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(N4CC[C@@H](O)C4)C3)C2)CC1 ZINC000650877341 484089139 /nfs/dbraw/zinc/08/91/39/484089139.db2.gz SNHCAKBWOHXFMB-RHSMWYFYSA-N 1 3 351.495 -0.385 20 0 FBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(N4CC[C@@H](O)C4)C3)C2)CC1 ZINC000650877341 484089132 /nfs/dbraw/zinc/08/91/32/484089132.db2.gz SNHCAKBWOHXFMB-RHSMWYFYSA-N 1 3 351.495 -0.385 20 0 FBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC(N4CC[C@@H](O)C4)C3)C2)CC1 ZINC000650877342 484089289 /nfs/dbraw/zinc/08/92/89/484089289.db2.gz SNHCAKBWOHXFMB-WMLDXEAASA-N 1 3 351.495 -0.385 20 0 FBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC(N4CC[C@@H](O)C4)C3)C2)CC1 ZINC000650877342 484089282 /nfs/dbraw/zinc/08/92/82/484089282.db2.gz SNHCAKBWOHXFMB-WMLDXEAASA-N 1 3 351.495 -0.385 20 0 FBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(N4CC[C@@H](O)C4)C3)C2)CC1 ZINC000650877342 484089277 /nfs/dbraw/zinc/08/92/77/484089277.db2.gz SNHCAKBWOHXFMB-WMLDXEAASA-N 1 3 351.495 -0.385 20 0 FBADHO C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CN1CCN(C)CC1 ZINC000650922782 484149529 /nfs/dbraw/zinc/14/95/29/484149529.db2.gz MHHNCCUAWYVOLC-INIZCTEOSA-N 1 3 368.526 -0.715 20 0 FBADHO C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CN1CCN(C)CC1 ZINC000650922783 484149841 /nfs/dbraw/zinc/14/98/41/484149841.db2.gz MHHNCCUAWYVOLC-MRXNPFEDSA-N 1 3 368.526 -0.715 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 ZINC000650922912 484149431 /nfs/dbraw/zinc/14/94/31/484149431.db2.gz ORUXBEUWRXVNMY-DOTOQJQBSA-N 1 3 353.511 -0.280 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 ZINC000650922913 484149474 /nfs/dbraw/zinc/14/94/74/484149474.db2.gz ORUXBEUWRXVNMY-NVXWUHKLSA-N 1 3 353.511 -0.280 20 0 FBADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(CCN(C)C)C(=O)C2)CCCO1 ZINC000651062025 483436132 /nfs/dbraw/zinc/43/61/32/483436132.db2.gz MDDXCKDKXVDTSB-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(CCN(C)C)C(=O)C2)CCCO1 ZINC000651062025 483436128 /nfs/dbraw/zinc/43/61/28/483436128.db2.gz MDDXCKDKXVDTSB-INIZCTEOSA-N 1 3 369.510 -0.097 20 0 FBADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(CCN(C)C)C(=O)C2)CCCO1 ZINC000651062026 483436448 /nfs/dbraw/zinc/43/64/48/483436448.db2.gz MDDXCKDKXVDTSB-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(CCN(C)C)C(=O)C2)CCCO1 ZINC000651062026 483436443 /nfs/dbraw/zinc/43/64/43/483436443.db2.gz MDDXCKDKXVDTSB-MRXNPFEDSA-N 1 3 369.510 -0.097 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651222463 483451003 /nfs/dbraw/zinc/45/10/03/483451003.db2.gz ZAZMFERVOTUXMD-CYBMUJFWSA-N 1 3 351.455 -0.749 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651222463 483451000 /nfs/dbraw/zinc/45/10/00/483451000.db2.gz ZAZMFERVOTUXMD-CYBMUJFWSA-N 1 3 351.455 -0.749 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651222464 483450930 /nfs/dbraw/zinc/45/09/30/483450930.db2.gz ZAZMFERVOTUXMD-ZDUSSCGKSA-N 1 3 351.455 -0.749 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651222464 483450927 /nfs/dbraw/zinc/45/09/27/483450927.db2.gz ZAZMFERVOTUXMD-ZDUSSCGKSA-N 1 3 351.455 -0.749 20 0 FBADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cn1 ZINC000651831628 483701545 /nfs/dbraw/zinc/70/15/45/483701545.db2.gz ARASGBXRTYDPRL-HNNXBMFYSA-N 1 3 366.466 -0.654 20 0 FBADHO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cn1 ZINC000651831629 483701442 /nfs/dbraw/zinc/70/14/42/483701442.db2.gz ARASGBXRTYDPRL-OAHLLOKOSA-N 1 3 366.466 -0.654 20 0 FBADHO CCO[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652144743 483630963 /nfs/dbraw/zinc/63/09/63/483630963.db2.gz QPIJMYNTKXEHDR-BZUAXINKSA-N 1 3 369.510 -0.066 20 0 FBADHO CCO[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652144744 483630764 /nfs/dbraw/zinc/63/07/64/483630764.db2.gz QPIJMYNTKXEHDR-OWCLPIDISA-N 1 3 369.510 -0.066 20 0 FBADHO CCO[C@@H]1CN(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652148688 483739252 /nfs/dbraw/zinc/73/92/52/483739252.db2.gz CNLCICPCNJSWHT-GDBMZVCRSA-N 1 3 369.510 -0.066 20 0 FBADHO Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H]3CCC[C@]3(CN)C1)c(=O)n2C ZINC000652352100 483776000 /nfs/dbraw/zinc/77/60/00/483776000.db2.gz FLIFITALFTVTPN-UGSOOPFHSA-N 1 3 360.462 -0.115 20 0 FBADHO Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CCC[C@]3(CN)C1)c(=O)n2C ZINC000652352100 483775999 /nfs/dbraw/zinc/77/59/99/483775999.db2.gz FLIFITALFTVTPN-UGSOOPFHSA-N 1 3 360.462 -0.115 20 0 FBADHO Cn1cnc2c1c(=O)n(CCCN1C[C@@H]3CCC[C@]3(C[NH3+])C1)c(=O)n2C ZINC000652352100 483775997 /nfs/dbraw/zinc/77/59/97/483775997.db2.gz FLIFITALFTVTPN-UGSOOPFHSA-N 1 3 360.462 -0.115 20 0 FBADHO CCO[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000652356929 483775860 /nfs/dbraw/zinc/77/58/60/483775860.db2.gz QSAAMGNMIHHRRD-HZPDHXFCSA-N 1 3 362.478 -0.189 20 0 FBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652398584 483781148 /nfs/dbraw/zinc/78/11/48/483781148.db2.gz OADMTEQEJJKCIM-UHFFFAOYSA-N 1 3 369.510 -0.735 20 0 FBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652400025 483781051 /nfs/dbraw/zinc/78/10/51/483781051.db2.gz SLKALFADUHYEGV-HNNXBMFYSA-N 1 3 367.494 -0.839 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652400026 483781099 /nfs/dbraw/zinc/78/10/99/483781099.db2.gz SLKALFADUHYEGV-OAHLLOKOSA-N 1 3 367.494 -0.839 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000652408663 483782164 /nfs/dbraw/zinc/78/21/64/483782164.db2.gz JXQWACHBNDRQKH-HNNXBMFYSA-N 1 3 367.494 -0.981 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000652408663 483782162 /nfs/dbraw/zinc/78/21/62/483782162.db2.gz JXQWACHBNDRQKH-HNNXBMFYSA-N 1 3 367.494 -0.981 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000652408664 483782113 /nfs/dbraw/zinc/78/21/13/483782113.db2.gz JXQWACHBNDRQKH-OAHLLOKOSA-N 1 3 367.494 -0.981 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000652408664 483782111 /nfs/dbraw/zinc/78/21/11/483782111.db2.gz JXQWACHBNDRQKH-OAHLLOKOSA-N 1 3 367.494 -0.981 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C2(O)CC2)CC1 ZINC000652431257 483785688 /nfs/dbraw/zinc/78/56/88/483785688.db2.gz CIBQFCYQJQUZNK-UHFFFAOYSA-N 1 3 354.495 -0.298 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(C2(O)CC2)CC1 ZINC000652431257 483785685 /nfs/dbraw/zinc/78/56/85/483785685.db2.gz CIBQFCYQJQUZNK-UHFFFAOYSA-N 1 3 354.495 -0.298 20 0 FBADHO C[C@@H](CO)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000652431310 483785379 /nfs/dbraw/zinc/78/53/79/483785379.db2.gz HBDGQOBUIJWANN-HNNXBMFYSA-N 1 3 356.511 -0.195 20 0 FBADHO C[C@@H](CO)C1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000652431310 483785375 /nfs/dbraw/zinc/78/53/75/483785375.db2.gz HBDGQOBUIJWANN-HNNXBMFYSA-N 1 3 356.511 -0.195 20 0 FBADHO C[C@H](CO)C1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000652431311 483785297 /nfs/dbraw/zinc/78/52/97/483785297.db2.gz HBDGQOBUIJWANN-OAHLLOKOSA-N 1 3 356.511 -0.195 20 0 FBADHO C[C@H](CO)C1CCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000652431311 483785295 /nfs/dbraw/zinc/78/52/95/483785295.db2.gz HBDGQOBUIJWANN-OAHLLOKOSA-N 1 3 356.511 -0.195 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1=O ZINC000652433155 483785401 /nfs/dbraw/zinc/78/54/01/483785401.db2.gz VGOHNDDFNDNSLP-UHFFFAOYSA-N 1 3 367.494 -0.981 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1=O ZINC000652443272 483788193 /nfs/dbraw/zinc/78/81/93/483788193.db2.gz RBIVILZNZIVMLF-UHFFFAOYSA-N 1 3 367.494 -0.837 20 0 FBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652459240 483790384 /nfs/dbraw/zinc/79/03/84/483790384.db2.gz CUKCZUVYNFWLST-CABCVRRESA-N 1 3 367.494 -0.983 20 0 FBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652459240 483790381 /nfs/dbraw/zinc/79/03/81/483790381.db2.gz CUKCZUVYNFWLST-CABCVRRESA-N 1 3 367.494 -0.983 20 0 FBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652459241 483790293 /nfs/dbraw/zinc/79/02/93/483790293.db2.gz CUKCZUVYNFWLST-GJZGRUSLSA-N 1 3 367.494 -0.983 20 0 FBADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652459241 483790291 /nfs/dbraw/zinc/79/02/91/483790291.db2.gz CUKCZUVYNFWLST-GJZGRUSLSA-N 1 3 367.494 -0.983 20 0 FBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652459242 483790200 /nfs/dbraw/zinc/79/02/00/483790200.db2.gz CUKCZUVYNFWLST-HUUCEWRRSA-N 1 3 367.494 -0.983 20 0 FBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652459242 483790198 /nfs/dbraw/zinc/79/01/98/483790198.db2.gz CUKCZUVYNFWLST-HUUCEWRRSA-N 1 3 367.494 -0.983 20 0 FBADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652459243 483790192 /nfs/dbraw/zinc/79/01/92/483790192.db2.gz CUKCZUVYNFWLST-LSDHHAIUSA-N 1 3 367.494 -0.983 20 0 FBADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652459243 483790191 /nfs/dbraw/zinc/79/01/91/483790191.db2.gz CUKCZUVYNFWLST-LSDHHAIUSA-N 1 3 367.494 -0.983 20 0 FBADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000652460805 483791013 /nfs/dbraw/zinc/79/10/13/483791013.db2.gz HILVPHHUKVVKIF-CABCVRRESA-N 1 3 367.494 -0.840 20 0 FBADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000652460805 483791011 /nfs/dbraw/zinc/79/10/11/483791011.db2.gz HILVPHHUKVVKIF-CABCVRRESA-N 1 3 367.494 -0.840 20 0 FBADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000652460806 483791185 /nfs/dbraw/zinc/79/11/85/483791185.db2.gz HILVPHHUKVVKIF-GJZGRUSLSA-N 1 3 367.494 -0.840 20 0 FBADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000652460806 483791183 /nfs/dbraw/zinc/79/11/83/483791183.db2.gz HILVPHHUKVVKIF-GJZGRUSLSA-N 1 3 367.494 -0.840 20 0 FBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000652460807 483791163 /nfs/dbraw/zinc/79/11/63/483791163.db2.gz HILVPHHUKVVKIF-HUUCEWRRSA-N 1 3 367.494 -0.840 20 0 FBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000652460807 483791162 /nfs/dbraw/zinc/79/11/62/483791162.db2.gz HILVPHHUKVVKIF-HUUCEWRRSA-N 1 3 367.494 -0.840 20 0 FBADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000652460808 483790957 /nfs/dbraw/zinc/79/09/57/483790957.db2.gz HILVPHHUKVVKIF-LSDHHAIUSA-N 1 3 367.494 -0.840 20 0 FBADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000652460808 483790954 /nfs/dbraw/zinc/79/09/54/483790954.db2.gz HILVPHHUKVVKIF-LSDHHAIUSA-N 1 3 367.494 -0.840 20 0 FBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652466548 483790717 /nfs/dbraw/zinc/79/07/17/483790717.db2.gz WZFKCSAKPQXHIE-UHFFFAOYSA-N 1 3 355.483 -0.981 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652469007 483792562 /nfs/dbraw/zinc/79/25/62/483792562.db2.gz ZNEFVNYXVJALMT-HNNXBMFYSA-N 1 3 367.494 -0.981 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652469007 483792559 /nfs/dbraw/zinc/79/25/59/483792559.db2.gz ZNEFVNYXVJALMT-HNNXBMFYSA-N 1 3 367.494 -0.981 20 0 FBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652469008 483792594 /nfs/dbraw/zinc/79/25/94/483792594.db2.gz ZNEFVNYXVJALMT-OAHLLOKOSA-N 1 3 367.494 -0.981 20 0 FBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652469008 483792591 /nfs/dbraw/zinc/79/25/91/483792591.db2.gz ZNEFVNYXVJALMT-OAHLLOKOSA-N 1 3 367.494 -0.981 20 0 FBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652472724 483793499 /nfs/dbraw/zinc/79/34/99/483793499.db2.gz BQAFJTRNMGQOJI-UHFFFAOYSA-N 1 3 369.510 -0.591 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652472732 483793409 /nfs/dbraw/zinc/79/34/09/483793409.db2.gz CCMDPRAWCBLAHG-UHFFFAOYSA-N 1 3 355.483 -0.983 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1=O ZINC000652484156 483796062 /nfs/dbraw/zinc/79/60/62/483796062.db2.gz MBUXOXNAAZGRAH-UHFFFAOYSA-N 1 3 367.494 -0.839 20 0 FBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652486181 483795770 /nfs/dbraw/zinc/79/57/70/483795770.db2.gz NGKHOGNOXSOPCG-HNNXBMFYSA-N 1 3 367.494 -0.792 20 0 FBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000652486182 483795621 /nfs/dbraw/zinc/79/56/21/483795621.db2.gz NGKHOGNOXSOPCG-OAHLLOKOSA-N 1 3 367.494 -0.792 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000652486200 483795695 /nfs/dbraw/zinc/79/56/95/483795695.db2.gz RFUWDTMAXWGQKX-UHFFFAOYSA-N 1 3 367.494 -0.792 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652505349 483797981 /nfs/dbraw/zinc/79/79/81/483797981.db2.gz GJEJEEXOFFKMIR-UHFFFAOYSA-N 1 3 367.494 -0.837 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1=O ZINC000652505463 483798395 /nfs/dbraw/zinc/79/83/95/483798395.db2.gz VRSGBMLHIILLAY-UHFFFAOYSA-N 1 3 367.494 -0.981 20 0 FBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652505489 483798065 /nfs/dbraw/zinc/79/80/65/483798065.db2.gz YNSHLAMXMMIWNI-UHFFFAOYSA-N 1 3 369.510 -0.687 20 0 FBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652505489 483798064 /nfs/dbraw/zinc/79/80/64/483798064.db2.gz YNSHLAMXMMIWNI-UHFFFAOYSA-N 1 3 369.510 -0.687 20 0 FBADHO CN(C)CCn1cc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000652612219 483818913 /nfs/dbraw/zinc/81/89/13/483818913.db2.gz LVLONEOFCYRTGS-CYBMUJFWSA-N 1 3 351.455 -0.237 20 0 FBADHO CN(C)CCn1cc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000652612220 483819093 /nfs/dbraw/zinc/81/90/93/483819093.db2.gz LVLONEOFCYRTGS-ZDUSSCGKSA-N 1 3 351.455 -0.237 20 0 FBADHO COC[C@@]1(CNC(=O)C(=O)Nc2cnn(CCN(C)C)c2)CCC[NH2+]1 ZINC000652623267 483821101 /nfs/dbraw/zinc/82/11/01/483821101.db2.gz FACRMXPUVSVKSW-INIZCTEOSA-N 1 3 352.439 -0.732 20 0 FBADHO COC[C@]1(CNC(=O)C(=O)Nc2cnn(CCN(C)C)c2)CCC[NH2+]1 ZINC000652623268 483821251 /nfs/dbraw/zinc/82/12/51/483821251.db2.gz FACRMXPUVSVKSW-MRXNPFEDSA-N 1 3 352.439 -0.732 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000652636145 483831699 /nfs/dbraw/zinc/83/16/99/483831699.db2.gz XSMQJXZURAXSRT-TZMCWYRMSA-N 1 3 352.439 -0.795 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652668891 483878376 /nfs/dbraw/zinc/87/83/76/483878376.db2.gz PIABJVVAHGZTRB-ARFHVFGLSA-N 1 3 370.494 -0.574 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652668892 483878330 /nfs/dbraw/zinc/87/83/30/483878330.db2.gz PIABJVVAHGZTRB-BZUAXINKSA-N 1 3 370.494 -0.574 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C[NH3+] ZINC000652670478 483880951 /nfs/dbraw/zinc/88/09/51/483880951.db2.gz TYADFTFWOJVOHN-UKRRQHHQSA-N 1 3 356.467 -0.964 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652673809 483888327 /nfs/dbraw/zinc/88/83/27/483888327.db2.gz AKJUORGQICPTAC-INIZCTEOSA-N 1 3 365.522 -0.223 20 0 FBADHO CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC3CC[NH2+]CC3)C2)CC1 ZINC000652673810 483888019 /nfs/dbraw/zinc/88/80/19/483888019.db2.gz AKJUORGQICPTAC-MRXNPFEDSA-N 1 3 365.522 -0.223 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652673829 483887969 /nfs/dbraw/zinc/88/79/69/483887969.db2.gz AYWHTGGLDCASDP-AWEZNQCLSA-N 1 3 351.495 -0.484 20 0 FBADHO CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC3(C[NH3+])CC3)C2)CC1 ZINC000652673830 483888170 /nfs/dbraw/zinc/88/81/70/483888170.db2.gz AYWHTGGLDCASDP-CQSZACIVSA-N 1 3 351.495 -0.484 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000652674278 483888313 /nfs/dbraw/zinc/88/83/13/483888313.db2.gz RGCKKYSFLOVUFF-INIZCTEOSA-N 1 3 365.522 -0.142 20 0 FBADHO CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2)CC1 ZINC000652674279 483888362 /nfs/dbraw/zinc/88/83/62/483888362.db2.gz RGCKKYSFLOVUFF-MRXNPFEDSA-N 1 3 365.522 -0.142 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674581 483888335 /nfs/dbraw/zinc/88/83/35/483888335.db2.gz AVVRCLNIQNRUGW-DZKIICNBSA-N 1 3 352.479 -0.058 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674582 483888066 /nfs/dbraw/zinc/88/80/66/483888066.db2.gz AVVRCLNIQNRUGW-LZWOXQAQSA-N 1 3 352.479 -0.058 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674583 483887943 /nfs/dbraw/zinc/88/79/43/483887943.db2.gz AVVRCLNIQNRUGW-OFQRWUPVSA-N 1 3 352.479 -0.058 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652674584 483888053 /nfs/dbraw/zinc/88/80/53/483888053.db2.gz AVVRCLNIQNRUGW-SQWLQELKSA-N 1 3 352.479 -0.058 20 0 FBADHO CN(C)CCN1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652678885 483895559 /nfs/dbraw/zinc/89/55/59/483895559.db2.gz SIXDUADSSFLXLF-UHFFFAOYSA-N 1 3 353.511 -0.366 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1(C)C ZINC000652679143 483894968 /nfs/dbraw/zinc/89/49/68/483894968.db2.gz YLWIGOULIYZIEF-UHFFFAOYSA-N 1 3 353.511 -0.366 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684378 483906204 /nfs/dbraw/zinc/90/62/04/483906204.db2.gz MRLDTCIRKJOFHX-AWEZNQCLSA-N 1 3 367.494 -0.710 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684379 483905889 /nfs/dbraw/zinc/90/58/89/483905889.db2.gz MRLDTCIRKJOFHX-CQSZACIVSA-N 1 3 367.494 -0.710 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C[NH3+] ZINC000652685746 483921689 /nfs/dbraw/zinc/92/16/89/483921689.db2.gz SGAIWXNEOKPVDU-IOASZLSFSA-N 1 3 358.508 -0.638 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C[NH3+] ZINC000652685747 483922905 /nfs/dbraw/zinc/92/29/05/483922905.db2.gz SGAIWXNEOKPVDU-XJKCOSOUSA-N 1 3 358.508 -0.638 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000652688043 483964446 /nfs/dbraw/zinc/96/44/46/483964446.db2.gz UHPZFSDXNKSRSI-INIZCTEOSA-N 1 3 352.479 -0.186 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000652688044 483964772 /nfs/dbraw/zinc/96/47/72/483964772.db2.gz UHPZFSDXNKSRSI-MRXNPFEDSA-N 1 3 352.479 -0.186 20 0 FBADHO [NH3+]CC1(CCNC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC1 ZINC000652690694 483897421 /nfs/dbraw/zinc/89/74/21/483897421.db2.gz MGMSWNGJKUTSSV-UHFFFAOYSA-N 1 3 352.479 -0.007 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693593 483552340 /nfs/dbraw/zinc/55/23/40/483552340.db2.gz YAYKLFITBZMANI-ARFHVFGLSA-N 1 3 370.494 -0.574 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693594 483551844 /nfs/dbraw/zinc/55/18/44/483551844.db2.gz YAYKLFITBZMANI-HRCADAONSA-N 1 3 370.494 -0.574 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693595 483551819 /nfs/dbraw/zinc/55/18/19/483551819.db2.gz YAYKLFITBZMANI-JYJNAYRXSA-N 1 3 370.494 -0.574 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693596 483551831 /nfs/dbraw/zinc/55/18/31/483551831.db2.gz YAYKLFITBZMANI-XHSDSOJGSA-N 1 3 370.494 -0.574 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652693705 483551921 /nfs/dbraw/zinc/55/19/21/483551921.db2.gz BFSRIOHOHLINIL-INIZCTEOSA-N 1 3 367.538 -0.118 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652693706 483552643 /nfs/dbraw/zinc/55/26/43/483552643.db2.gz BFSRIOHOHLINIL-MRXNPFEDSA-N 1 3 367.538 -0.118 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652694058 483568496 /nfs/dbraw/zinc/56/84/96/483568496.db2.gz NEDSRZMAOZSFLW-HNNXBMFYSA-N 1 3 353.511 -0.379 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652694059 483568782 /nfs/dbraw/zinc/56/87/82/483568782.db2.gz NEDSRZMAOZSFLW-OAHLLOKOSA-N 1 3 353.511 -0.379 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000652694232 483723995 /nfs/dbraw/zinc/72/39/95/483723995.db2.gz RSGWONWWAAKSQF-HNNXBMFYSA-N 1 3 353.511 -0.508 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000652694233 483724004 /nfs/dbraw/zinc/72/40/04/483724004.db2.gz RSGWONWWAAKSQF-OAHLLOKOSA-N 1 3 353.511 -0.508 20 0 FBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000652706526 484252341 /nfs/dbraw/zinc/25/23/41/484252341.db2.gz DHQHWGFZBFCTST-JKSUJKDBSA-N 1 3 364.494 -0.233 20 0 FBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000652706526 484252334 /nfs/dbraw/zinc/25/23/34/484252334.db2.gz DHQHWGFZBFCTST-JKSUJKDBSA-N 1 3 364.494 -0.233 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)C1 ZINC000652711372 484268613 /nfs/dbraw/zinc/26/86/13/484268613.db2.gz PTRDCAVBQNHYJK-HNNXBMFYSA-N 1 3 351.495 -0.530 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC3(C[NH3+])CC3)CC2)C1 ZINC000652711373 484268483 /nfs/dbraw/zinc/26/84/83/484268483.db2.gz PTRDCAVBQNHYJK-OAHLLOKOSA-N 1 3 351.495 -0.530 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713356 484273691 /nfs/dbraw/zinc/27/36/91/484273691.db2.gz LZWOMSNSJNSMID-UHFFFAOYSA-N 1 3 367.494 -0.756 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713421 484274347 /nfs/dbraw/zinc/27/43/47/484274347.db2.gz NTBPQCYNFJCSLW-UHFFFAOYSA-N 1 3 361.446 -0.016 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)CC2)C1 ZINC000652724189 483473019 /nfs/dbraw/zinc/47/30/19/483473019.db2.gz YFWYXMZMHOQKHG-KRWDZBQOSA-N 1 3 365.522 -0.269 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC3CC[NH2+]CC3)CC2)C1 ZINC000652724190 483473673 /nfs/dbraw/zinc/47/36/73/483473673.db2.gz YFWYXMZMHOQKHG-QGZVFWFLSA-N 1 3 365.522 -0.269 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000652726370 483496309 /nfs/dbraw/zinc/49/63/09/483496309.db2.gz VFZKQAYALNYCIH-GDBMZVCRSA-N 1 3 361.446 -0.448 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652727712 483528514 /nfs/dbraw/zinc/52/85/14/483528514.db2.gz CJRMXJUZOWINRS-FVQBIDKESA-N 1 3 354.495 -0.003 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652727713 483527896 /nfs/dbraw/zinc/52/78/96/483527896.db2.gz CJRMXJUZOWINRS-NUEKZKHPSA-N 1 3 354.495 -0.003 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728085 483546336 /nfs/dbraw/zinc/54/63/36/483546336.db2.gz SMCPLHJYROTZKJ-BZUAXINKSA-N 1 3 352.479 -0.105 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728086 483546283 /nfs/dbraw/zinc/54/62/83/483546283.db2.gz SMCPLHJYROTZKJ-OWCLPIDISA-N 1 3 352.479 -0.105 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@H]1C[NH3+] ZINC000652728513 483568664 /nfs/dbraw/zinc/56/86/64/483568664.db2.gz NSFMYSZTWXKVQO-BZUAXINKSA-N 1 3 352.479 -0.105 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@H]1C[NH3+] ZINC000652728514 483569091 /nfs/dbraw/zinc/56/90/91/483569091.db2.gz NSFMYSZTWXKVQO-OWCLPIDISA-N 1 3 352.479 -0.105 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652728570 483576084 /nfs/dbraw/zinc/57/60/84/483576084.db2.gz QQRAZKLAXSGMCT-BZUAXINKSA-N 1 3 370.494 -0.622 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652728571 483575429 /nfs/dbraw/zinc/57/54/29/483575429.db2.gz QQRAZKLAXSGMCT-OWCLPIDISA-N 1 3 370.494 -0.622 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)C1 ZINC000652728902 483592889 /nfs/dbraw/zinc/59/28/89/483592889.db2.gz HFCWZIJEVNLVGZ-KRWDZBQOSA-N 1 3 365.522 -0.188 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)C1 ZINC000652728903 483590800 /nfs/dbraw/zinc/59/08/00/483590800.db2.gz HFCWZIJEVNLVGZ-QGZVFWFLSA-N 1 3 365.522 -0.188 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCC(OCCN(C)C)CC2)C[C@H]1C[NH3+] ZINC000652728994 483597764 /nfs/dbraw/zinc/59/77/64/483597764.db2.gz KWAAZNVNRMKDDB-GDBMZVCRSA-N 1 3 370.494 -0.622 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000652729180 483617914 /nfs/dbraw/zinc/61/79/14/483617914.db2.gz VKSLBJZUGZTNAX-BZUAXINKSA-N 1 3 352.479 -0.105 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000652729181 483617612 /nfs/dbraw/zinc/61/76/12/483617612.db2.gz VKSLBJZUGZTNAX-OWCLPIDISA-N 1 3 352.479 -0.105 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@H]1C[NH3+] ZINC000652729784 483675792 /nfs/dbraw/zinc/67/57/92/483675792.db2.gz VABUVXROIFUYLJ-GDBMZVCRSA-N 1 3 366.462 -0.008 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CCCC23CCN(C)CC3)C[C@H]1C[NH3+] ZINC000652730061 483682411 /nfs/dbraw/zinc/68/24/11/483682411.db2.gz GZUGVZIXCDOQRY-HUUCEWRRSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652731603 483695148 /nfs/dbraw/zinc/69/51/48/483695148.db2.gz OSUIQAHESYJGEG-HNNXBMFYSA-N 1 3 367.494 -0.756 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652731604 483695106 /nfs/dbraw/zinc/69/51/06/483695106.db2.gz OSUIQAHESYJGEG-OAHLLOKOSA-N 1 3 367.494 -0.756 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734408 483780341 /nfs/dbraw/zinc/78/03/41/483780341.db2.gz JVTPBDGWTKYMGJ-ALYAQQCSSA-N 1 3 364.490 -0.106 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734409 483780406 /nfs/dbraw/zinc/78/04/06/483780406.db2.gz JVTPBDGWTKYMGJ-BPKGMFCQSA-N 1 3 364.490 -0.106 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734410 483780074 /nfs/dbraw/zinc/78/00/74/483780074.db2.gz JVTPBDGWTKYMGJ-JSRQGNBESA-N 1 3 364.490 -0.106 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)C[C@@H]21 ZINC000652734411 483780113 /nfs/dbraw/zinc/78/01/13/483780113.db2.gz JVTPBDGWTKYMGJ-XAJHFOFHSA-N 1 3 364.490 -0.106 20 0 FBADHO CN(C)CCN1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000652735827 483790324 /nfs/dbraw/zinc/79/03/24/483790324.db2.gz VCZARESPPTYUTA-FQEVSTJZSA-N 1 3 374.485 -0.144 20 0 FBADHO CN(C)CCN1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000652735827 483790321 /nfs/dbraw/zinc/79/03/21/483790321.db2.gz VCZARESPPTYUTA-FQEVSTJZSA-N 1 3 374.485 -0.144 20 0 FBADHO CN(C)CCN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000652735828 483790827 /nfs/dbraw/zinc/79/08/27/483790827.db2.gz VCZARESPPTYUTA-HXUWFJFHSA-N 1 3 374.485 -0.144 20 0 FBADHO CN(C)CCN1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000652735828 483790825 /nfs/dbraw/zinc/79/08/25/483790825.db2.gz VCZARESPPTYUTA-HXUWFJFHSA-N 1 3 374.485 -0.144 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@H]1C[NH3+] ZINC000652736715 483799220 /nfs/dbraw/zinc/79/92/20/483799220.db2.gz NJDULVVLTYNEJO-IIDMSEBBSA-N 1 3 352.479 -0.247 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@H]1C[NH3+] ZINC000652736716 483799188 /nfs/dbraw/zinc/79/91/88/483799188.db2.gz NJDULVVLTYNEJO-RKVPGOIHSA-N 1 3 352.479 -0.247 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000652737627 483808043 /nfs/dbraw/zinc/80/80/43/483808043.db2.gz ORWNWTRJNFJYSV-INIZCTEOSA-N 1 3 351.495 -0.563 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000652737628 483807862 /nfs/dbraw/zinc/80/78/62/483807862.db2.gz ORWNWTRJNFJYSV-MRXNPFEDSA-N 1 3 351.495 -0.563 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000652737658 483808497 /nfs/dbraw/zinc/80/84/97/483808497.db2.gz PVWTXVUAPDGERJ-INIZCTEOSA-N 1 3 351.495 -0.563 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000652737659 483808630 /nfs/dbraw/zinc/80/86/30/483808630.db2.gz PVWTXVUAPDGERJ-MRXNPFEDSA-N 1 3 351.495 -0.563 20 0 FBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653113695 483607996 /nfs/dbraw/zinc/60/79/96/483607996.db2.gz LPYINPKKVRACOH-LPHOPBHVSA-N 1 3 360.458 -0.170 20 0 FBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653118166 483611517 /nfs/dbraw/zinc/61/15/17/483611517.db2.gz DNTBJSYSZHZJNV-LPHOPBHVSA-N 1 3 360.458 -0.170 20 0 FBADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124834 483614563 /nfs/dbraw/zinc/61/45/63/483614563.db2.gz INNZHTDWHMOPCL-LPHOPBHVSA-N 1 3 359.474 -0.054 20 0 FBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653340154 483909857 /nfs/dbraw/zinc/90/98/57/483909857.db2.gz BYCQBMOLDXZMHW-INIZCTEOSA-N 1 3 368.526 -0.572 20 0 FBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653340155 483909585 /nfs/dbraw/zinc/90/95/85/483909585.db2.gz BYCQBMOLDXZMHW-MRXNPFEDSA-N 1 3 368.526 -0.572 20 0 FBADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C(C)C ZINC000653352496 483659530 /nfs/dbraw/zinc/65/95/30/483659530.db2.gz BKBVMTRZPNKFOW-UHFFFAOYSA-N 1 3 369.510 -0.546 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1=O ZINC000653354154 483679591 /nfs/dbraw/zinc/67/95/91/483679591.db2.gz PZXPAPUQAUZFEG-UHFFFAOYSA-N 1 3 367.494 -0.791 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000653354418 483680942 /nfs/dbraw/zinc/68/09/42/483680942.db2.gz WGFUIFVNTFEHMO-UHFFFAOYSA-N 1 3 367.494 -0.792 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1=O ZINC000653357968 483686710 /nfs/dbraw/zinc/68/67/10/483686710.db2.gz BITNORMCCGJGMX-UHFFFAOYSA-N 1 3 367.494 -0.789 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653369083 483820215 /nfs/dbraw/zinc/82/02/15/483820215.db2.gz JOGGJLVGERUHAG-UHFFFAOYSA-N 1 3 367.494 -0.933 20 0 FBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653369280 483820311 /nfs/dbraw/zinc/82/03/11/483820311.db2.gz OTINYJYISKOYGM-HNNXBMFYSA-N 1 3 367.494 -0.791 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653369281 483820273 /nfs/dbraw/zinc/82/02/73/483820273.db2.gz OTINYJYISKOYGM-OAHLLOKOSA-N 1 3 367.494 -0.791 20 0 FBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369907 483821635 /nfs/dbraw/zinc/82/16/35/483821635.db2.gz ZLVXWMNNBSBAOI-HNNXBMFYSA-N 1 3 367.494 -0.933 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653369908 483821736 /nfs/dbraw/zinc/82/17/36/483821736.db2.gz ZLVXWMNNBSBAOI-OAHLLOKOSA-N 1 3 367.494 -0.933 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C[NH+]1CCCC1 ZINC000653376604 483827625 /nfs/dbraw/zinc/82/76/25/483827625.db2.gz FYOWNBHCRLVYHL-HNNXBMFYSA-N 1 3 367.494 -0.933 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C[NH+]1CCCC1 ZINC000653376605 483827900 /nfs/dbraw/zinc/82/79/00/483827900.db2.gz FYOWNBHCRLVYHL-OAHLLOKOSA-N 1 3 367.494 -0.933 20 0 FBADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653379361 483831083 /nfs/dbraw/zinc/83/10/83/483831083.db2.gz PVLYDKGXOVFRSS-AWEZNQCLSA-N 1 3 355.483 -0.935 20 0 FBADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653379362 483831249 /nfs/dbraw/zinc/83/12/49/483831249.db2.gz PVLYDKGXOVFRSS-CQSZACIVSA-N 1 3 355.483 -0.935 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000653380748 483831553 /nfs/dbraw/zinc/83/15/53/483831553.db2.gz YVKDOEKUCLJTDZ-UHFFFAOYSA-N 1 3 367.494 -0.933 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1=O ZINC000653384352 483838733 /nfs/dbraw/zinc/83/87/33/483838733.db2.gz PXJAXJKVIUDMMT-UHFFFAOYSA-N 1 3 367.494 -0.933 20 0 FBADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653385782 483842513 /nfs/dbraw/zinc/84/25/13/483842513.db2.gz GRLAPBIXEZXKJD-UHFFFAOYSA-N 1 3 355.483 -0.933 20 0 FBADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653385782 483842509 /nfs/dbraw/zinc/84/25/09/483842509.db2.gz GRLAPBIXEZXKJD-UHFFFAOYSA-N 1 3 355.483 -0.933 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C1CC[NH+](C)CC1 ZINC000653386590 483844869 /nfs/dbraw/zinc/84/48/69/483844869.db2.gz DNUMFINIKKBZHW-AWEZNQCLSA-N 1 3 367.494 -0.935 20 0 FBADHO C[C@@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C1CC[NH+](C)CC1 ZINC000653386591 483845014 /nfs/dbraw/zinc/84/50/14/483845014.db2.gz DNUMFINIKKBZHW-CQSZACIVSA-N 1 3 367.494 -0.935 20 0 FBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653388807 483846917 /nfs/dbraw/zinc/84/69/17/483846917.db2.gz MHOYGZUSJKDAKR-AWEZNQCLSA-N 1 3 355.483 -0.935 20 0 FBADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653388807 483846914 /nfs/dbraw/zinc/84/69/14/483846914.db2.gz MHOYGZUSJKDAKR-AWEZNQCLSA-N 1 3 355.483 -0.935 20 0 FBADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653388808 483846854 /nfs/dbraw/zinc/84/68/54/483846854.db2.gz MHOYGZUSJKDAKR-CQSZACIVSA-N 1 3 355.483 -0.935 20 0 FBADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653388808 483846852 /nfs/dbraw/zinc/84/68/52/483846852.db2.gz MHOYGZUSJKDAKR-CQSZACIVSA-N 1 3 355.483 -0.935 20 0 FBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653390070 483850416 /nfs/dbraw/zinc/85/04/16/483850416.db2.gz RJAMCDDBBCNKJK-HNNXBMFYSA-N 1 3 367.494 -0.791 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653390071 483850317 /nfs/dbraw/zinc/85/03/17/483850317.db2.gz RJAMCDDBBCNKJK-OAHLLOKOSA-N 1 3 367.494 -0.791 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1=O ZINC000653392257 483851146 /nfs/dbraw/zinc/85/11/46/483851146.db2.gz XJMUNIRIEXZCGT-UHFFFAOYSA-N 1 3 367.494 -0.791 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1=O ZINC000653392257 483851143 /nfs/dbraw/zinc/85/11/43/483851143.db2.gz XJMUNIRIEXZCGT-UHFFFAOYSA-N 1 3 367.494 -0.791 20 0 FBADHO C[C@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C(C)(C)C[NH+](C)C ZINC000653411868 483873220 /nfs/dbraw/zinc/87/32/20/483873220.db2.gz JEEIUDMFWDGDMF-AWEZNQCLSA-N 1 3 369.510 -0.689 20 0 FBADHO C[C@@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C(C)(C)C[NH+](C)C ZINC000653411869 483873162 /nfs/dbraw/zinc/87/31/62/483873162.db2.gz JEEIUDMFWDGDMF-CQSZACIVSA-N 1 3 369.510 -0.689 20 0 FBADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653415003 483899736 /nfs/dbraw/zinc/89/97/36/483899736.db2.gz GMOOOCLORZKDNV-UHFFFAOYSA-N 1 3 355.483 -0.933 20 0 FBADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653415003 483899733 /nfs/dbraw/zinc/89/97/33/483899733.db2.gz GMOOOCLORZKDNV-UHFFFAOYSA-N 1 3 355.483 -0.933 20 0 FBADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653430545 484231658 /nfs/dbraw/zinc/23/16/58/484231658.db2.gz HCUWQKXRFMDIPA-CQSZACIVSA-N 1 3 355.483 -0.935 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CC1=O ZINC000653431753 484237217 /nfs/dbraw/zinc/23/72/17/484237217.db2.gz QHWRDSLCIZZTLG-UHFFFAOYSA-N 1 3 367.494 -0.791 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)CC1=O ZINC000653431753 484237215 /nfs/dbraw/zinc/23/72/15/484237215.db2.gz QHWRDSLCIZZTLG-UHFFFAOYSA-N 1 3 367.494 -0.791 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000653432718 484248046 /nfs/dbraw/zinc/24/80/46/484248046.db2.gz RJSWXXUGRHEKNV-HNNXBMFYSA-N 1 3 367.494 -0.933 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000653432718 484248043 /nfs/dbraw/zinc/24/80/43/484248043.db2.gz RJSWXXUGRHEKNV-HNNXBMFYSA-N 1 3 367.494 -0.933 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000653432719 484247527 /nfs/dbraw/zinc/24/75/27/484247527.db2.gz RJSWXXUGRHEKNV-OAHLLOKOSA-N 1 3 367.494 -0.933 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000653432719 484247521 /nfs/dbraw/zinc/24/75/21/484247521.db2.gz RJSWXXUGRHEKNV-OAHLLOKOSA-N 1 3 367.494 -0.933 20 0 FBADHO CN(C)CCN1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1=O ZINC000653435296 484281771 /nfs/dbraw/zinc/28/17/71/484281771.db2.gz XUIPNRWGXQTMRE-UHFFFAOYSA-N 1 3 367.494 -0.792 20 0 FBADHO CN1CCN(c2ccc(CNC(=O)N3CCN4C[C@H](O)C[C@H]4C3)cn2)CC1 ZINC000654362135 484229885 /nfs/dbraw/zinc/22/98/85/484229885.db2.gz HVTHTGNLHLNDRY-DLBZAZTESA-N 1 3 374.489 -0.206 20 0 FBADHO CC(C)[C@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN(C)CC1 ZINC000654364228 484234673 /nfs/dbraw/zinc/23/46/73/484234673.db2.gz RPLCSGCAFXNTEE-BBWFWOEESA-N 1 3 353.511 -0.281 20 0 FBADHO CC(C)[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(C)CC1 ZINC000654364228 484234669 /nfs/dbraw/zinc/23/46/69/484234669.db2.gz RPLCSGCAFXNTEE-BBWFWOEESA-N 1 3 353.511 -0.281 20 0 FBADHO CC(C)[C@@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN(C)CC1 ZINC000654364229 484233846 /nfs/dbraw/zinc/23/38/46/484233846.db2.gz RPLCSGCAFXNTEE-GVDBMIGSSA-N 1 3 353.511 -0.281 20 0 FBADHO CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CCN(C)CC1 ZINC000654364229 484233840 /nfs/dbraw/zinc/23/38/40/484233840.db2.gz RPLCSGCAFXNTEE-GVDBMIGSSA-N 1 3 353.511 -0.281 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654420278 484278314 /nfs/dbraw/zinc/27/83/14/484278314.db2.gz JGMVSJITSKGKAD-ARFHVFGLSA-N 1 3 367.494 -0.611 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654420278 484278309 /nfs/dbraw/zinc/27/83/09/484278309.db2.gz JGMVSJITSKGKAD-ARFHVFGLSA-N 1 3 367.494 -0.611 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654420282 484278250 /nfs/dbraw/zinc/27/82/50/484278250.db2.gz JGMVSJITSKGKAD-XHSDSOJGSA-N 1 3 367.494 -0.611 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654420282 484278247 /nfs/dbraw/zinc/27/82/47/484278247.db2.gz JGMVSJITSKGKAD-XHSDSOJGSA-N 1 3 367.494 -0.611 20 0 FBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654436399 484290483 /nfs/dbraw/zinc/29/04/83/484290483.db2.gz UEPSJRKCNDGYSL-JKSUJKDBSA-N 1 3 367.494 -0.611 20 0 FBADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654450053 484300241 /nfs/dbraw/zinc/30/02/41/484300241.db2.gz YSTSXNLMWYJXCC-BHYGNILZSA-N 1 3 352.479 -0.052 20 0 FBADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654450054 484300302 /nfs/dbraw/zinc/30/03/02/484300302.db2.gz YSTSXNLMWYJXCC-HYVNUMGLSA-N 1 3 352.479 -0.052 20 0 FBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654450239 484300803 /nfs/dbraw/zinc/30/08/03/484300803.db2.gz FNBTWWZDXXZFMX-QLFBSQMISA-N 1 3 353.467 -0.966 20 0 FBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654450239 484300800 /nfs/dbraw/zinc/30/08/00/484300800.db2.gz FNBTWWZDXXZFMX-QLFBSQMISA-N 1 3 353.467 -0.966 20 0 FBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654450240 484300545 /nfs/dbraw/zinc/30/05/45/484300545.db2.gz FNBTWWZDXXZFMX-SOUVJXGZSA-N 1 3 353.467 -0.966 20 0 FBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654450240 484300537 /nfs/dbraw/zinc/30/05/37/484300537.db2.gz FNBTWWZDXXZFMX-SOUVJXGZSA-N 1 3 353.467 -0.966 20 0 FBADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654496030 484323254 /nfs/dbraw/zinc/32/32/54/484323254.db2.gz HXZMUGUXZXQFKG-HZMVEIRTSA-N 1 3 352.479 -0.175 20 0 FBADHO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654496031 484323649 /nfs/dbraw/zinc/32/36/49/484323649.db2.gz HXZMUGUXZXQFKG-VVLHAWIVSA-N 1 3 352.479 -0.175 20 0 FBADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654496032 484323195 /nfs/dbraw/zinc/32/31/95/484323195.db2.gz HXZMUGUXZXQFKG-YLFCFFPRSA-N 1 3 352.479 -0.175 20 0 FBADHO O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654496033 484323313 /nfs/dbraw/zinc/32/33/13/484323313.db2.gz HXZMUGUXZXQFKG-YVSFHVDLSA-N 1 3 352.479 -0.175 20 0 FBADHO C[NH+](C)CCOc1cc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)ccn1 ZINC000654512284 484326645 /nfs/dbraw/zinc/32/66/45/484326645.db2.gz UJQPKLDZKWHEQL-JKSUJKDBSA-N 1 3 363.462 -0.018 20 0 FBADHO Cc1nn(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(=O)n1C ZINC000654657736 484359380 /nfs/dbraw/zinc/35/93/80/484359380.db2.gz QXBLQKILIYUGQA-UHFFFAOYSA-N 1 3 350.467 -0.435 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654679081 484365282 /nfs/dbraw/zinc/36/52/82/484365282.db2.gz NNLYBLSWCJZBLX-HNNXBMFYSA-N 1 3 352.483 -0.235 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654679081 484365280 /nfs/dbraw/zinc/36/52/80/484365280.db2.gz NNLYBLSWCJZBLX-HNNXBMFYSA-N 1 3 352.483 -0.235 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654679082 484365298 /nfs/dbraw/zinc/36/52/98/484365298.db2.gz NNLYBLSWCJZBLX-OAHLLOKOSA-N 1 3 352.483 -0.235 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654679082 484365294 /nfs/dbraw/zinc/36/52/94/484365294.db2.gz NNLYBLSWCJZBLX-OAHLLOKOSA-N 1 3 352.483 -0.235 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654732651 484380578 /nfs/dbraw/zinc/38/05/78/484380578.db2.gz CWEZBENVKGIDTJ-UHFFFAOYSA-N 1 3 362.540 0.000 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C(=O)CO)CC3)CC2)CC1 ZINC000654967995 484475299 /nfs/dbraw/zinc/47/52/99/484475299.db2.gz LPCCCDSCOBDHJT-UHFFFAOYSA-N 1 3 366.506 -0.154 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296899 483615252 /nfs/dbraw/zinc/61/52/52/483615252.db2.gz DTESITUGQJMXLA-LTIDMASMSA-N 1 3 364.490 -0.403 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296899 483615248 /nfs/dbraw/zinc/61/52/48/483615248.db2.gz DTESITUGQJMXLA-LTIDMASMSA-N 1 3 364.490 -0.403 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296900 483615781 /nfs/dbraw/zinc/61/57/81/483615781.db2.gz DTESITUGQJMXLA-LUKYLMHMSA-N 1 3 364.490 -0.403 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296900 483615776 /nfs/dbraw/zinc/61/57/76/483615776.db2.gz DTESITUGQJMXLA-LUKYLMHMSA-N 1 3 364.490 -0.403 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296901 483614882 /nfs/dbraw/zinc/61/48/82/483614882.db2.gz DTESITUGQJMXLA-VVLHAWIVSA-N 1 3 364.490 -0.403 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296901 483614876 /nfs/dbraw/zinc/61/48/76/483614876.db2.gz DTESITUGQJMXLA-VVLHAWIVSA-N 1 3 364.490 -0.403 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296903 483615664 /nfs/dbraw/zinc/61/56/64/483615664.db2.gz DTESITUGQJMXLA-WCXIOVBPSA-N 1 3 364.490 -0.403 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655296903 483615658 /nfs/dbraw/zinc/61/56/58/483615658.db2.gz DTESITUGQJMXLA-WCXIOVBPSA-N 1 3 364.490 -0.403 20 0 FBADHO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(F)(F)F ZINC000655915269 484517582 /nfs/dbraw/zinc/51/75/82/484517582.db2.gz MASJYSSGDBRJEE-LLVKDONJSA-N 1 3 351.373 -0.174 20 0 FBADHO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(F)(F)F ZINC000655915271 484518118 /nfs/dbraw/zinc/51/81/18/484518118.db2.gz MASJYSSGDBRJEE-NSHDSACASA-N 1 3 351.373 -0.174 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919899 484518258 /nfs/dbraw/zinc/51/82/58/484518258.db2.gz GKHFGZQMBQSUKY-GHMZBOCLSA-N 1 3 351.373 -0.176 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919902 484517595 /nfs/dbraw/zinc/51/75/95/484517595.db2.gz GKHFGZQMBQSUKY-MNOVXSKESA-N 1 3 351.373 -0.176 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919904 484518193 /nfs/dbraw/zinc/51/81/93/484518193.db2.gz GKHFGZQMBQSUKY-QWRGUYRKSA-N 1 3 351.373 -0.176 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919907 484518202 /nfs/dbraw/zinc/51/82/02/484518202.db2.gz GKHFGZQMBQSUKY-WDEREUQCSA-N 1 3 351.373 -0.176 20 0 FBADHO CN(C)CCNC(=O)C1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655930212 484519470 /nfs/dbraw/zinc/51/94/70/484519470.db2.gz LGJKSFLKVRSGKF-LLVKDONJSA-N 1 3 353.389 -0.025 20 0 FBADHO CN(C)CCNC(=O)C1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655930213 484518649 /nfs/dbraw/zinc/51/86/49/484518649.db2.gz LGJKSFLKVRSGKF-NSHDSACASA-N 1 3 353.389 -0.025 20 0 FBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967459 484522462 /nfs/dbraw/zinc/52/24/62/484522462.db2.gz WARWATZJDCHXRK-XQQFMLRXSA-N 1 3 365.400 -0.717 20 0 FBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967460 484522434 /nfs/dbraw/zinc/52/24/34/484522434.db2.gz WARWATZJDCHXRK-YNEHKIRRSA-N 1 3 365.400 -0.717 20 0 FBADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655967796 484522509 /nfs/dbraw/zinc/52/25/09/484522509.db2.gz DXUYSKBPXVLVFE-SJJHQCBESA-N 1 3 351.495 -0.337 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656020029 484541294 /nfs/dbraw/zinc/54/12/94/484541294.db2.gz KSZJWXPGKOHITQ-CVEARBPZSA-N 1 3 351.495 -0.469 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656020030 484540469 /nfs/dbraw/zinc/54/04/69/484540469.db2.gz KSZJWXPGKOHITQ-HOTGVXAUSA-N 1 3 351.495 -0.469 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656020031 484540675 /nfs/dbraw/zinc/54/06/75/484540675.db2.gz KSZJWXPGKOHITQ-HZPDHXFCSA-N 1 3 351.495 -0.469 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656020032 484540754 /nfs/dbraw/zinc/54/07/54/484540754.db2.gz KSZJWXPGKOHITQ-JKSUJKDBSA-N 1 3 351.495 -0.469 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000656027987 484543697 /nfs/dbraw/zinc/54/36/97/484543697.db2.gz GQOVGLYVGZKOOB-HZMVEIRTSA-N 1 3 374.489 -0.194 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000656027988 484543449 /nfs/dbraw/zinc/54/34/49/484543449.db2.gz GQOVGLYVGZKOOB-VVLHAWIVSA-N 1 3 374.489 -0.194 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C[C@H]2[NH3+])cn1 ZINC000656027989 484544578 /nfs/dbraw/zinc/54/45/78/484544578.db2.gz GQOVGLYVGZKOOB-YLFCFFPRSA-N 1 3 374.489 -0.194 20 0 FBADHO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)C[C@H]2[NH3+])cn1 ZINC000656027990 484543574 /nfs/dbraw/zinc/54/35/74/484543574.db2.gz GQOVGLYVGZKOOB-YVSFHVDLSA-N 1 3 374.489 -0.194 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000656029181 484544547 /nfs/dbraw/zinc/54/45/47/484544547.db2.gz WGZQYAAXCFMIRC-FXUDXRNXSA-N 1 3 352.479 -0.058 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000656029182 484544192 /nfs/dbraw/zinc/54/41/92/484544192.db2.gz WGZQYAAXCFMIRC-KLHDSHLOSA-N 1 3 352.479 -0.058 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000656029183 484544294 /nfs/dbraw/zinc/54/42/94/484544294.db2.gz WGZQYAAXCFMIRC-LVQVYYBASA-N 1 3 352.479 -0.058 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000656029184 484543275 /nfs/dbraw/zinc/54/32/75/484543275.db2.gz WGZQYAAXCFMIRC-QKPAOTATSA-N 1 3 352.479 -0.058 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000656070128 484553584 /nfs/dbraw/zinc/55/35/84/484553584.db2.gz AIBQJSCNMPFFKC-YESZJQIVSA-N 1 3 365.522 -0.319 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000656070129 484553879 /nfs/dbraw/zinc/55/38/79/484553879.db2.gz AIBQJSCNMPFFKC-ZACQAIPSSA-N 1 3 365.522 -0.319 20 0 FBADHO Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219215 484616178 /nfs/dbraw/zinc/61/61/78/484616178.db2.gz PJRAKBPDIQOYKM-MWDXBVQZSA-N 1 3 374.489 -0.705 20 0 FBADHO Cc1nc(N2CCN3C[C@H](O)C[C@H]3C2)cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219215 484616169 /nfs/dbraw/zinc/61/61/69/484616169.db2.gz PJRAKBPDIQOYKM-MWDXBVQZSA-N 1 3 374.489 -0.705 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656300113 484629683 /nfs/dbraw/zinc/62/96/83/484629683.db2.gz JRVMGGZSWVEROV-YESZJQIVSA-N 1 3 367.538 -0.167 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656300114 484629119 /nfs/dbraw/zinc/62/91/19/484629119.db2.gz JRVMGGZSWVEROV-ZACQAIPSSA-N 1 3 367.538 -0.167 20 0 FBADHO CN1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000656315090 484638049 /nfs/dbraw/zinc/63/80/49/484638049.db2.gz HWJSJFIRLXLTIX-INMHGKMJSA-N 1 3 365.522 -0.273 20 0 FBADHO CN1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000656315091 484637815 /nfs/dbraw/zinc/63/78/15/484637815.db2.gz HWJSJFIRLXLTIX-YQQAZPJKSA-N 1 3 365.522 -0.273 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1(C)C ZINC000656317900 484636553 /nfs/dbraw/zinc/63/65/53/484636553.db2.gz HCACNFMEJQXDSS-GASCZTMLSA-N 1 3 353.511 -0.415 20 0 FBADHO Cn1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595758 484797756 /nfs/dbraw/zinc/79/77/56/484797756.db2.gz RZFLRTDUSVHJIB-KRWDZBQOSA-N 1 3 358.442 -0.060 20 0 FBADHO Cn1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595758 484797752 /nfs/dbraw/zinc/79/77/52/484797752.db2.gz RZFLRTDUSVHJIB-KRWDZBQOSA-N 1 3 358.442 -0.060 20 0 FBADHO Cn1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595763 484797232 /nfs/dbraw/zinc/79/72/32/484797232.db2.gz RZFLRTDUSVHJIB-QGZVFWFLSA-N 1 3 358.442 -0.060 20 0 FBADHO Cn1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(=O)n(C)c1=O ZINC000657595763 484797223 /nfs/dbraw/zinc/79/72/23/484797223.db2.gz RZFLRTDUSVHJIB-QGZVFWFLSA-N 1 3 358.442 -0.060 20 0 FBADHO COCc1nccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000657839042 484825931 /nfs/dbraw/zinc/82/59/31/484825931.db2.gz KFPHLLRHCIGHPL-UHFFFAOYSA-N 1 3 352.439 -0.487 20 0 FBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(N(C)C)nn1 ZINC000657839145 484825650 /nfs/dbraw/zinc/82/56/50/484825650.db2.gz MXLLQOHTWZDFAG-UHFFFAOYSA-N 1 3 365.482 -0.259 20 0 FBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000658115604 485105118 /nfs/dbraw/zinc/10/51/18/485105118.db2.gz UPWQMNXRCOGHGV-INIZCTEOSA-N 1 3 353.511 -0.365 20 0 FBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000658115607 485104560 /nfs/dbraw/zinc/10/45/60/485104560.db2.gz UPWQMNXRCOGHGV-MRXNPFEDSA-N 1 3 353.511 -0.365 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658520939 485215486 /nfs/dbraw/zinc/21/54/86/485215486.db2.gz AQEISZYKHNQIDR-INIZCTEOSA-N 1 3 352.479 -0.402 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658520939 485215482 /nfs/dbraw/zinc/21/54/82/485215482.db2.gz AQEISZYKHNQIDR-INIZCTEOSA-N 1 3 352.479 -0.402 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658520944 485215243 /nfs/dbraw/zinc/21/52/43/485215243.db2.gz AQEISZYKHNQIDR-MRXNPFEDSA-N 1 3 352.479 -0.402 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658520944 485215234 /nfs/dbraw/zinc/21/52/34/485215234.db2.gz AQEISZYKHNQIDR-MRXNPFEDSA-N 1 3 352.479 -0.402 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658521643 485215386 /nfs/dbraw/zinc/21/53/86/485215386.db2.gz YYIAHCNNIPOOMF-KRWDZBQOSA-N 1 3 366.506 -0.013 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658521643 485215383 /nfs/dbraw/zinc/21/53/83/485215383.db2.gz YYIAHCNNIPOOMF-KRWDZBQOSA-N 1 3 366.506 -0.013 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658521650 485215769 /nfs/dbraw/zinc/21/57/69/485215769.db2.gz YYIAHCNNIPOOMF-QGZVFWFLSA-N 1 3 366.506 -0.013 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658521650 485215765 /nfs/dbraw/zinc/21/57/65/485215765.db2.gz YYIAHCNNIPOOMF-QGZVFWFLSA-N 1 3 366.506 -0.013 20 0 FBADHO O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000658523382 485154124 /nfs/dbraw/zinc/15/41/24/485154124.db2.gz HFGKGIKGLFVVOH-DLBZAZTESA-N 1 3 364.490 -0.259 20 0 FBADHO O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000658523382 485154119 /nfs/dbraw/zinc/15/41/19/485154119.db2.gz HFGKGIKGLFVVOH-DLBZAZTESA-N 1 3 364.490 -0.259 20 0 FBADHO O=C(C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000658523383 485153438 /nfs/dbraw/zinc/15/34/38/485153438.db2.gz HFGKGIKGLFVVOH-IAGOWNOFSA-N 1 3 364.490 -0.259 20 0 FBADHO O=C(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000658523383 485153436 /nfs/dbraw/zinc/15/34/36/485153436.db2.gz HFGKGIKGLFVVOH-IAGOWNOFSA-N 1 3 364.490 -0.259 20 0 FBADHO O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000658523384 485153504 /nfs/dbraw/zinc/15/35/04/485153504.db2.gz HFGKGIKGLFVVOH-IRXDYDNUSA-N 1 3 364.490 -0.259 20 0 FBADHO O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000658523384 485153500 /nfs/dbraw/zinc/15/35/00/485153500.db2.gz HFGKGIKGLFVVOH-IRXDYDNUSA-N 1 3 364.490 -0.259 20 0 FBADHO O=C(C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000658523385 485153853 /nfs/dbraw/zinc/15/38/53/485153853.db2.gz HFGKGIKGLFVVOH-SJORKVTESA-N 1 3 364.490 -0.259 20 0 FBADHO O=C(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000658523385 485153848 /nfs/dbraw/zinc/15/38/48/485153848.db2.gz HFGKGIKGLFVVOH-SJORKVTESA-N 1 3 364.490 -0.259 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658530073 485155100 /nfs/dbraw/zinc/15/51/00/485155100.db2.gz URXIHTIDFMGOQR-CVEARBPZSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658530073 485155098 /nfs/dbraw/zinc/15/50/98/485155098.db2.gz URXIHTIDFMGOQR-CVEARBPZSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658530074 485155180 /nfs/dbraw/zinc/15/51/80/485155180.db2.gz URXIHTIDFMGOQR-HOTGVXAUSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000658530074 485155176 /nfs/dbraw/zinc/15/51/76/485155176.db2.gz URXIHTIDFMGOQR-HOTGVXAUSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658530075 485154900 /nfs/dbraw/zinc/15/49/00/485154900.db2.gz URXIHTIDFMGOQR-HZPDHXFCSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658530075 485154897 /nfs/dbraw/zinc/15/48/97/485154897.db2.gz URXIHTIDFMGOQR-HZPDHXFCSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658530076 485155021 /nfs/dbraw/zinc/15/50/21/485155021.db2.gz URXIHTIDFMGOQR-JKSUJKDBSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000658530076 485155016 /nfs/dbraw/zinc/15/50/16/485155016.db2.gz URXIHTIDFMGOQR-JKSUJKDBSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000658534492 485155736 /nfs/dbraw/zinc/15/57/36/485155736.db2.gz CILLHLSXKOJZGY-GOSISDBHSA-N 1 3 354.495 -0.298 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000658534494 485155797 /nfs/dbraw/zinc/15/57/97/485155797.db2.gz CILLHLSXKOJZGY-SFHVURJKSA-N 1 3 354.495 -0.298 20 0 FBADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC2CN(C)C2)CC1 ZINC000658534513 485155561 /nfs/dbraw/zinc/15/55/61/485155561.db2.gz CJVNPQJXLVULJU-UHFFFAOYSA-N 1 3 367.494 -0.981 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000658534901 485156344 /nfs/dbraw/zinc/15/63/44/485156344.db2.gz FKBMDAPODGBDFT-GOSISDBHSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000658534902 485156365 /nfs/dbraw/zinc/15/63/65/485156365.db2.gz FKBMDAPODGBDFT-SFHVURJKSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000658535739 485249746 /nfs/dbraw/zinc/24/97/46/485249746.db2.gz JJRNPXPZOXDFOD-HNNXBMFYSA-N 1 3 365.482 -0.922 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658535740 485249598 /nfs/dbraw/zinc/24/95/98/485249598.db2.gz JJRNPXPZOXDFOD-OAHLLOKOSA-N 1 3 365.482 -0.922 20 0 FBADHO COc1ccnc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000658535790 485156313 /nfs/dbraw/zinc/15/63/13/485156313.db2.gz KYYZQTIMUQMQAM-UHFFFAOYSA-N 1 3 369.441 -0.203 20 0 FBADHO Cc1nnc(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000658536456 485156170 /nfs/dbraw/zinc/15/61/70/485156170.db2.gz OURIADGFKHGQFC-UHFFFAOYSA-N 1 3 356.496 -0.243 20 0 FBADHO Cc1cncc(CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000658537447 485155863 /nfs/dbraw/zinc/15/58/63/485155863.db2.gz WKYLAZAMZLGXFU-UHFFFAOYSA-N 1 3 350.467 -0.604 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658542593 485157316 /nfs/dbraw/zinc/15/73/16/485157316.db2.gz WLYVPNUEQLZZKW-INIZCTEOSA-N 1 3 370.494 -0.919 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658542593 485157312 /nfs/dbraw/zinc/15/73/12/485157312.db2.gz WLYVPNUEQLZZKW-INIZCTEOSA-N 1 3 370.494 -0.919 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658542597 485157353 /nfs/dbraw/zinc/15/73/53/485157353.db2.gz WLYVPNUEQLZZKW-MRXNPFEDSA-N 1 3 370.494 -0.919 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658542597 485157350 /nfs/dbraw/zinc/15/73/50/485157350.db2.gz WLYVPNUEQLZZKW-MRXNPFEDSA-N 1 3 370.494 -0.919 20 0 FBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000658549313 485158186 /nfs/dbraw/zinc/15/81/86/485158186.db2.gz ZXTYIIXSPBYIOC-KRWDZBQOSA-N 1 3 365.522 -0.365 20 0 FBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000658549313 485158184 /nfs/dbraw/zinc/15/81/84/485158184.db2.gz ZXTYIIXSPBYIOC-KRWDZBQOSA-N 1 3 365.522 -0.365 20 0 FBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000658549315 485158980 /nfs/dbraw/zinc/15/89/80/485158980.db2.gz ZXTYIIXSPBYIOC-QGZVFWFLSA-N 1 3 365.522 -0.365 20 0 FBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000658549315 485158975 /nfs/dbraw/zinc/15/89/75/485158975.db2.gz ZXTYIIXSPBYIOC-QGZVFWFLSA-N 1 3 365.522 -0.365 20 0 FBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000658554676 485159700 /nfs/dbraw/zinc/15/97/00/485159700.db2.gz JSKZNIYZVZZEFS-INIZCTEOSA-N 1 3 351.495 -0.755 20 0 FBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000658554676 485159697 /nfs/dbraw/zinc/15/96/97/485159697.db2.gz JSKZNIYZVZZEFS-INIZCTEOSA-N 1 3 351.495 -0.755 20 0 FBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000658554677 485159600 /nfs/dbraw/zinc/15/96/00/485159600.db2.gz JSKZNIYZVZZEFS-MRXNPFEDSA-N 1 3 351.495 -0.755 20 0 FBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658554677 485159594 /nfs/dbraw/zinc/15/95/94/485159594.db2.gz JSKZNIYZVZZEFS-MRXNPFEDSA-N 1 3 351.495 -0.755 20 0 FBADHO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)CC2CN(C)C2)CC1 ZINC000658620984 485168822 /nfs/dbraw/zinc/16/88/22/485168822.db2.gz XMMRTNIOWLSABK-UHFFFAOYSA-N 1 3 361.446 -0.241 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658678024 485174414 /nfs/dbraw/zinc/17/44/14/485174414.db2.gz FRSAWNNLNVREDN-INIZCTEOSA-N 1 3 354.495 -0.157 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658678024 485174412 /nfs/dbraw/zinc/17/44/12/485174412.db2.gz FRSAWNNLNVREDN-INIZCTEOSA-N 1 3 354.495 -0.157 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658678026 485174090 /nfs/dbraw/zinc/17/40/90/485174090.db2.gz FRSAWNNLNVREDN-MRXNPFEDSA-N 1 3 354.495 -0.157 20 0 FBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658678026 485174085 /nfs/dbraw/zinc/17/40/85/485174085.db2.gz FRSAWNNLNVREDN-MRXNPFEDSA-N 1 3 354.495 -0.157 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658690868 485175924 /nfs/dbraw/zinc/17/59/24/485175924.db2.gz VJKBTGYHXNGJBL-INIZCTEOSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658690868 485175920 /nfs/dbraw/zinc/17/59/20/485175920.db2.gz VJKBTGYHXNGJBL-INIZCTEOSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658690869 485175854 /nfs/dbraw/zinc/17/58/54/485175854.db2.gz VJKBTGYHXNGJBL-MRXNPFEDSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658690869 485175849 /nfs/dbraw/zinc/17/58/49/485175849.db2.gz VJKBTGYHXNGJBL-MRXNPFEDSA-N 1 3 352.479 -0.403 20 0 FBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000658737122 485181247 /nfs/dbraw/zinc/18/12/47/485181247.db2.gz 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485190712 /nfs/dbraw/zinc/19/07/12/485190712.db2.gz MOQAFLZQNNBVAE-DLBZAZTESA-N 1 3 366.506 -0.013 20 0 FBADHO CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@H]1CCN(CC)C1 ZINC000658822936 485190709 /nfs/dbraw/zinc/19/07/09/485190709.db2.gz MOQAFLZQNNBVAE-DLBZAZTESA-N 1 3 366.506 -0.013 20 0 FBADHO CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CCN(CC)C1 ZINC000658822942 485191247 /nfs/dbraw/zinc/19/12/47/485191247.db2.gz MOQAFLZQNNBVAE-IAGOWNOFSA-N 1 3 366.506 -0.013 20 0 FBADHO CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CCN(CC)C1 ZINC000658822942 485191243 /nfs/dbraw/zinc/19/12/43/485191243.db2.gz MOQAFLZQNNBVAE-IAGOWNOFSA-N 1 3 366.506 -0.013 20 0 FBADHO CCN(C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@H]1CCN(CC)C1 ZINC000658822946 485190847 /nfs/dbraw/zinc/19/08/47/485190847.db2.gz MOQAFLZQNNBVAE-IRXDYDNUSA-N 1 3 366.506 -0.013 20 0 FBADHO CCN(C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@H]1CCN(CC)C1 ZINC000658822946 485190846 /nfs/dbraw/zinc/19/08/46/485190846.db2.gz 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364.490 -0.403 20 0 FBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC000658903183 485200131 /nfs/dbraw/zinc/20/01/31/485200131.db2.gz LDOCQBCSUQOSGN-USXIJHARSA-N 1 3 364.490 -0.403 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C[C@@H]21 ZINC000658904378 483599753 /nfs/dbraw/zinc/59/97/53/483599753.db2.gz SMZPVISEVVJLBZ-BMFZPTHFSA-N 1 3 350.463 -0.794 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C[C@@H]21 ZINC000658904378 483599746 /nfs/dbraw/zinc/59/97/46/483599746.db2.gz SMZPVISEVVJLBZ-BMFZPTHFSA-N 1 3 350.463 -0.794 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C[C@@H]21 ZINC000658904379 483599262 /nfs/dbraw/zinc/59/92/62/483599262.db2.gz SMZPVISEVVJLBZ-KBMXLJTQSA-N 1 3 350.463 -0.794 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C[C@@H]21 ZINC000658904379 483599259 /nfs/dbraw/zinc/59/92/59/483599259.db2.gz SMZPVISEVVJLBZ-KBMXLJTQSA-N 1 3 350.463 -0.794 20 0 FBADHO 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/nfs/dbraw/zinc/20/62/67/485206267.db2.gz QGAROWKWXIAAPE-MRXNPFEDSA-N 1 3 364.446 -0.284 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659075156 485207358 /nfs/dbraw/zinc/20/73/58/485207358.db2.gz VMNRFJPHODDYOH-INIZCTEOSA-N 1 3 364.446 -0.020 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659075158 485207500 /nfs/dbraw/zinc/20/75/00/485207500.db2.gz VMNRFJPHODDYOH-MRXNPFEDSA-N 1 3 364.446 -0.020 20 0 FBADHO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659079676 485207182 /nfs/dbraw/zinc/20/71/82/485207182.db2.gz WUTQYSILYKQADW-CRAIPNDOSA-N 1 3 364.446 -0.285 20 0 FBADHO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659079678 485207320 /nfs/dbraw/zinc/20/73/20/485207320.db2.gz WUTQYSILYKQADW-MAUKXSAKSA-N 1 3 364.446 -0.285 20 0 FBADHO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659079680 485207613 /nfs/dbraw/zinc/20/76/13/485207613.db2.gz WUTQYSILYKQADW-QAPCUYQASA-N 1 3 364.446 -0.285 20 0 FBADHO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659079681 485207013 /nfs/dbraw/zinc/20/70/13/485207013.db2.gz WUTQYSILYKQADW-YJBOKZPZSA-N 1 3 364.446 -0.285 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659080279 484064939 /nfs/dbraw/zinc/06/49/39/484064939.db2.gz DZXZOMACQAZHSM-KRWDZBQOSA-N 1 3 365.522 -0.221 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659080279 484064934 /nfs/dbraw/zinc/06/49/34/484064934.db2.gz DZXZOMACQAZHSM-KRWDZBQOSA-N 1 3 365.522 -0.221 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659080280 484065979 /nfs/dbraw/zinc/06/59/79/484065979.db2.gz DZXZOMACQAZHSM-QGZVFWFLSA-N 1 3 365.522 -0.221 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659080280 484065973 /nfs/dbraw/zinc/06/59/73/484065973.db2.gz DZXZOMACQAZHSM-QGZVFWFLSA-N 1 3 365.522 -0.221 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659102573 485209194 /nfs/dbraw/zinc/20/91/94/485209194.db2.gz FJQLJLCCZCSLOJ-CYBMUJFWSA-N 1 3 361.450 -0.575 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000659102574 485208852 /nfs/dbraw/zinc/20/88/52/485208852.db2.gz FJQLJLCCZCSLOJ-ZDUSSCGKSA-N 1 3 361.450 -0.575 20 0 FBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000659112371 485211240 /nfs/dbraw/zinc/21/12/40/485211240.db2.gz PCRKMUWLPNUYFB-LLVKDONJSA-N 1 3 363.418 -0.181 20 0 FBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000659112372 485211250 /nfs/dbraw/zinc/21/12/50/485211250.db2.gz PCRKMUWLPNUYFB-NSHDSACASA-N 1 3 363.418 -0.181 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000659247869 485213826 /nfs/dbraw/zinc/21/38/26/485213826.db2.gz BENYTLZEOAUEMX-DLBZAZTESA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659247869 485213824 /nfs/dbraw/zinc/21/38/24/485213824.db2.gz BENYTLZEOAUEMX-DLBZAZTESA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000659247870 485213431 /nfs/dbraw/zinc/21/34/31/485213431.db2.gz BENYTLZEOAUEMX-IAGOWNOFSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659247870 485213427 /nfs/dbraw/zinc/21/34/27/485213427.db2.gz BENYTLZEOAUEMX-IAGOWNOFSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000659247871 485213727 /nfs/dbraw/zinc/21/37/27/485213727.db2.gz BENYTLZEOAUEMX-IRXDYDNUSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659247871 485213723 /nfs/dbraw/zinc/21/37/23/485213723.db2.gz BENYTLZEOAUEMX-IRXDYDNUSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000659247872 485213165 /nfs/dbraw/zinc/21/31/65/485213165.db2.gz BENYTLZEOAUEMX-SJORKVTESA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000659247872 485213160 /nfs/dbraw/zinc/21/31/60/485213160.db2.gz BENYTLZEOAUEMX-SJORKVTESA-N 1 3 365.522 -0.223 20 0 FBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000659255546 485213691 /nfs/dbraw/zinc/21/36/91/485213691.db2.gz CSCHUHNEBAZFKO-UHFFFAOYSA-N 1 3 359.434 -0.542 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC000659318447 485214674 /nfs/dbraw/zinc/21/46/74/485214674.db2.gz DNSZJRTUIMZCRH-CRAIPNDOSA-N 1 3 370.494 -0.655 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC000659318449 484577336 /nfs/dbraw/zinc/57/73/36/484577336.db2.gz DNSZJRTUIMZCRH-MAUKXSAKSA-N 1 3 370.494 -0.655 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@]2(CCOC2)O1 ZINC000659318464 484578217 /nfs/dbraw/zinc/57/82/17/484578217.db2.gz DNSZJRTUIMZCRH-QAPCUYQASA-N 1 3 370.494 -0.655 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@]2(CCOC2)O1 ZINC000659318465 484578233 /nfs/dbraw/zinc/57/82/33/484578233.db2.gz DNSZJRTUIMZCRH-YJBOKZPZSA-N 1 3 370.494 -0.655 20 0 FBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000659318476 484578084 /nfs/dbraw/zinc/57/80/84/484578084.db2.gz FCBXKEZOORJYRM-INIZCTEOSA-N 1 3 355.527 -0.073 20 0 FBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000659318477 484577704 /nfs/dbraw/zinc/57/77/04/484577704.db2.gz FCBXKEZOORJYRM-MRXNPFEDSA-N 1 3 355.527 -0.073 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000659318516 485214692 /nfs/dbraw/zinc/21/46/92/485214692.db2.gz JLAXGYDELVOKNH-AWEZNQCLSA-N 1 3 355.483 -0.948 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000659318519 485214575 /nfs/dbraw/zinc/21/45/75/485214575.db2.gz JLAXGYDELVOKNH-CQSZACIVSA-N 1 3 355.483 -0.948 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000659318563 485215105 /nfs/dbraw/zinc/21/51/05/485215105.db2.gz MSJOSAQSSIQYEG-CVEARBPZSA-N 1 3 370.494 -0.655 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000659318564 485215246 /nfs/dbraw/zinc/21/52/46/485215246.db2.gz MSJOSAQSSIQYEG-HOTGVXAUSA-N 1 3 370.494 -0.655 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000659318566 485215030 /nfs/dbraw/zinc/21/50/30/485215030.db2.gz MSJOSAQSSIQYEG-HZPDHXFCSA-N 1 3 370.494 -0.655 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000659318569 485214984 /nfs/dbraw/zinc/21/49/84/485214984.db2.gz MSJOSAQSSIQYEG-JKSUJKDBSA-N 1 3 370.494 -0.655 20 0 FBADHO Cc1cn2c(n1)CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000659318580 484579257 /nfs/dbraw/zinc/57/92/57/484579257.db2.gz OLJPVMDYFDMZBI-UHFFFAOYSA-N 1 3 350.467 -0.514 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](n2cccn2)C1 ZINC000659318600 484578598 /nfs/dbraw/zinc/57/85/98/484578598.db2.gz PISIJYUQYFPUNM-HNNXBMFYSA-N 1 3 350.467 -0.392 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](n2cccn2)C1 ZINC000659318602 484578877 /nfs/dbraw/zinc/57/88/77/484578877.db2.gz PISIJYUQYFPUNM-OAHLLOKOSA-N 1 3 350.467 -0.392 20 0 FBADHO CC(C)N1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000659318606 484578728 /nfs/dbraw/zinc/57/87/28/484578728.db2.gz RCCJLJOUPSYGQR-UHFFFAOYSA-N 1 3 355.483 -0.983 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000659359086 485215610 /nfs/dbraw/zinc/21/56/10/485215610.db2.gz WDGMCVYMCDUKDZ-CYBMUJFWSA-N 1 3 351.455 -0.878 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000659359087 485216224 /nfs/dbraw/zinc/21/62/24/485216224.db2.gz WDGMCVYMCDUKDZ-ZDUSSCGKSA-N 1 3 351.455 -0.878 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000659359727 485216063 /nfs/dbraw/zinc/21/60/63/485216063.db2.gz WCFHRRZQMUQTMQ-CYBMUJFWSA-N 1 3 351.455 -0.705 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000659359728 485216511 /nfs/dbraw/zinc/21/65/11/485216511.db2.gz WCFHRRZQMUQTMQ-ZDUSSCGKSA-N 1 3 351.455 -0.705 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659378712 485216239 /nfs/dbraw/zinc/21/62/39/485216239.db2.gz FBHLWOXGLCWINA-UHFFFAOYSA-N 1 3 363.462 -0.233 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCN(C)CCOC)CC1 ZINC000659448323 485219170 /nfs/dbraw/zinc/21/91/70/485219170.db2.gz BNWYHCXVJMXFOV-UHFFFAOYSA-N 1 3 357.499 -0.146 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659507381 485226111 /nfs/dbraw/zinc/22/61/11/485226111.db2.gz JRGKAVIJWXSQIY-GOSISDBHSA-N 1 3 361.490 -0.042 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659507383 485225034 /nfs/dbraw/zinc/22/50/34/485225034.db2.gz JRGKAVIJWXSQIY-SFHVURJKSA-N 1 3 361.490 -0.042 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000659521399 485226049 /nfs/dbraw/zinc/22/60/49/485226049.db2.gz JLVJXIXBUQNGCV-CRAIPNDOSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000659521399 485226046 /nfs/dbraw/zinc/22/60/46/485226046.db2.gz JLVJXIXBUQNGCV-CRAIPNDOSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000659521400 485225351 /nfs/dbraw/zinc/22/53/51/485225351.db2.gz JLVJXIXBUQNGCV-MAUKXSAKSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000659521400 485225349 /nfs/dbraw/zinc/22/53/49/485225349.db2.gz JLVJXIXBUQNGCV-MAUKXSAKSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000659521401 485225108 /nfs/dbraw/zinc/22/51/08/485225108.db2.gz JLVJXIXBUQNGCV-QAPCUYQASA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000659521401 485225104 /nfs/dbraw/zinc/22/51/04/485225104.db2.gz JLVJXIXBUQNGCV-QAPCUYQASA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000659521402 485225732 /nfs/dbraw/zinc/22/57/32/485225732.db2.gz JLVJXIXBUQNGCV-YJBOKZPZSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000659521402 485225729 /nfs/dbraw/zinc/22/57/29/485225729.db2.gz JLVJXIXBUQNGCV-YJBOKZPZSA-N 1 3 352.479 -0.280 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C[C@@H]21 ZINC000659532184 485225880 /nfs/dbraw/zinc/22/58/80/485225880.db2.gz VXTPFWHCIPOGTM-IKGGRYGDSA-N 1 3 363.506 -0.613 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C[C@@H]21 ZINC000659532184 485225877 /nfs/dbraw/zinc/22/58/77/485225877.db2.gz VXTPFWHCIPOGTM-IKGGRYGDSA-N 1 3 363.506 -0.613 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C[C@@H]21 ZINC000659532188 485225379 /nfs/dbraw/zinc/22/53/79/485225379.db2.gz VXTPFWHCIPOGTM-ZACQAIPSSA-N 1 3 363.506 -0.613 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C[C@@H]21 ZINC000659532188 485225377 /nfs/dbraw/zinc/22/53/77/485225377.db2.gz VXTPFWHCIPOGTM-ZACQAIPSSA-N 1 3 363.506 -0.613 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659532190 485225177 /nfs/dbraw/zinc/22/51/77/485225177.db2.gz WJZFKQJLHIMKHO-KRWDZBQOSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000659532190 485225173 /nfs/dbraw/zinc/22/51/73/485225173.db2.gz WJZFKQJLHIMKHO-KRWDZBQOSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659532192 485225757 /nfs/dbraw/zinc/22/57/57/485225757.db2.gz WJZFKQJLHIMKHO-QGZVFWFLSA-N 1 3 365.522 -0.223 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000659532192 485225753 /nfs/dbraw/zinc/22/57/53/485225753.db2.gz WJZFKQJLHIMKHO-QGZVFWFLSA-N 1 3 365.522 -0.223 20 0 FBADHO COCC1(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[NH2+]CC1 ZINC000659541343 483882458 /nfs/dbraw/zinc/88/24/58/483882458.db2.gz PYZDHQIHQHRRTJ-UHFFFAOYSA-N 1 3 357.499 -0.336 20 0 FBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659608041 485228099 /nfs/dbraw/zinc/22/80/99/485228099.db2.gz JPULERLVFCDBLI-GDBMZVCRSA-N 1 3 367.494 -0.264 20 0 FBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659608042 485228321 /nfs/dbraw/zinc/22/83/21/485228321.db2.gz JPULERLVFCDBLI-GOEBONIOSA-N 1 3 367.494 -0.264 20 0 FBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659608043 485228075 /nfs/dbraw/zinc/22/80/75/485228075.db2.gz JPULERLVFCDBLI-HOCLYGCPSA-N 1 3 367.494 -0.264 20 0 FBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659608044 485228414 /nfs/dbraw/zinc/22/84/14/485228414.db2.gz JPULERLVFCDBLI-ZBFHGGJFSA-N 1 3 367.494 -0.264 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659609129 485228293 /nfs/dbraw/zinc/22/82/93/485228293.db2.gz SUFNSUOZPRYFGB-DLBZAZTESA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659609130 485227970 /nfs/dbraw/zinc/22/79/70/485227970.db2.gz SUFNSUOZPRYFGB-IAGOWNOFSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659609131 485228402 /nfs/dbraw/zinc/22/84/02/485228402.db2.gz SUFNSUOZPRYFGB-IRXDYDNUSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659609132 485228454 /nfs/dbraw/zinc/22/84/54/485228454.db2.gz SUFNSUOZPRYFGB-SJORKVTESA-N 1 3 351.495 -0.071 20 0 FBADHO C[NH+](C)CC1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCC1 ZINC000659672000 485239050 /nfs/dbraw/zinc/23/90/50/485239050.db2.gz LUOVOLQIYAWEBZ-UHFFFAOYSA-N 1 3 364.450 -0.505 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000659672112 485239216 /nfs/dbraw/zinc/23/92/16/485239216.db2.gz NIDRGCGYOAFWIW-OAHLLOKOSA-N 1 3 369.510 -0.465 20 0 FBADHO CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659672354 485239159 /nfs/dbraw/zinc/23/91/59/485239159.db2.gz SOAWJDMTLROCQP-UHFFFAOYSA-N 1 3 367.494 -0.567 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCC1 ZINC000659675070 485238882 /nfs/dbraw/zinc/23/88/82/485238882.db2.gz YHYZKJIWNQXLRK-UHFFFAOYSA-N 1 3 350.423 -0.752 20 0 FBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659677093 485239799 /nfs/dbraw/zinc/23/97/99/485239799.db2.gz NCVOBBQUVGSQMG-GBXVCHKXSA-N 1 3 372.469 -0.181 20 0 FBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659677094 485240084 /nfs/dbraw/zinc/24/00/84/485240084.db2.gz NCVOBBQUVGSQMG-WSGJVKOYSA-N 1 3 372.469 -0.181 20 0 FBADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659677695 485239996 /nfs/dbraw/zinc/23/99/96/485239996.db2.gz RUGWLVGZGRUYRK-GBXVCHKXSA-N 1 3 372.469 -0.262 20 0 FBADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659677696 485240467 /nfs/dbraw/zinc/24/04/67/485240467.db2.gz RUGWLVGZGRUYRK-WSGJVKOYSA-N 1 3 372.469 -0.262 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])ccn1 ZINC000659679839 485240220 /nfs/dbraw/zinc/24/02/20/485240220.db2.gz POZQJTBXYPADRF-UHFFFAOYSA-N 1 3 351.451 -0.166 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)ccn1 ZINC000659679912 485240271 /nfs/dbraw/zinc/24/02/71/485240271.db2.gz QMVBVSAOZNTVLN-UHFFFAOYSA-N 1 3 361.446 -0.494 20 0 FBADHO NCC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000659679965 485240091 /nfs/dbraw/zinc/24/00/91/485240091.db2.gz RRSQTHLKQVTOMC-BYGOXVSRSA-N 1 3 364.490 -0.180 20 0 FBADHO NCC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000659679966 485240400 /nfs/dbraw/zinc/24/04/00/485240400.db2.gz RRSQTHLKQVTOMC-QHZMEWJKSA-N 1 3 364.490 -0.180 20 0 FBADHO NCC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000659679967 485240421 /nfs/dbraw/zinc/24/04/21/485240421.db2.gz RRSQTHLKQVTOMC-VTLRXDCVSA-N 1 3 364.490 -0.180 20 0 FBADHO NCC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000659679968 485239902 /nfs/dbraw/zinc/23/99/02/485239902.db2.gz RRSQTHLKQVTOMC-ZAKOAHRUSA-N 1 3 364.490 -0.180 20 0 FBADHO CN(C)CCOc1cc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)ccn1 ZINC000659680497 485240204 /nfs/dbraw/zinc/24/02/04/485240204.db2.gz YIRXVMWBZBRZEE-UHFFFAOYSA-N 1 3 361.446 -0.412 20 0 FBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)n1 ZINC000659681710 485241063 /nfs/dbraw/zinc/24/10/63/485241063.db2.gz MSGMRFSFSXYHAF-UHFFFAOYSA-N 1 3 350.423 -0.751 20 0 FBADHO CC1CC[NH+](CCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659682193 485241530 /nfs/dbraw/zinc/24/15/30/485241530.db2.gz WGXDUCSGBLIYOX-UHFFFAOYSA-N 1 3 364.450 -0.505 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000659682825 485241390 /nfs/dbraw/zinc/24/13/90/485241390.db2.gz OMAXGQGDYFZXEF-GDBMZVCRSA-N 1 3 353.511 -0.239 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000659682826 485241001 /nfs/dbraw/zinc/24/10/01/485241001.db2.gz OMAXGQGDYFZXEF-GOEBONIOSA-N 1 3 353.511 -0.239 20 0 FBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)C2)CC1 ZINC000659683011 485241348 /nfs/dbraw/zinc/24/13/48/485241348.db2.gz RFJJYPZPNBCCKP-BPLDGKMQSA-N 1 3 355.458 -0.831 20 0 FBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)C2)CC1 ZINC000659683012 485240893 /nfs/dbraw/zinc/24/08/93/485240893.db2.gz RFJJYPZPNBCCKP-NWANDNLSSA-N 1 3 355.458 -0.831 20 0 FBADHO CC(C)OCCN1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659683991 485242490 /nfs/dbraw/zinc/24/24/90/485242490.db2.gz DQOBZGPIUAHVCU-UHFFFAOYSA-N 1 3 352.479 -0.140 20 0 FBADHO CC(C)OCCN1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659684777 485243180 /nfs/dbraw/zinc/24/31/80/485243180.db2.gz LAUNDNHJRPARFP-UHFFFAOYSA-N 1 3 352.479 -0.058 20 0 FBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000659684969 485242658 /nfs/dbraw/zinc/24/26/58/485242658.db2.gz NMGVEHOPYDDDPN-UHFFFAOYSA-N 1 3 369.510 -0.905 20 0 FBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)(C)C ZINC000659686567 485242985 /nfs/dbraw/zinc/24/29/85/485242985.db2.gz GSNRIWWDLQTCBT-GFCCVEGCSA-N 1 3 366.466 -0.260 20 0 FBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)(C)C ZINC000659686568 485243167 /nfs/dbraw/zinc/24/31/67/485243167.db2.gz GSNRIWWDLQTCBT-LBPRGKRZSA-N 1 3 366.466 -0.260 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000659689186 485243543 /nfs/dbraw/zinc/24/35/43/485243543.db2.gz VZLQGCUZMPPKCI-CABCVRRESA-N 1 3 353.511 -0.286 20 0 FBADHO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CC2)CC1 ZINC000659690495 485243605 /nfs/dbraw/zinc/24/36/05/485243605.db2.gz ATHLYRKJARJYOJ-HZPDHXFCSA-N 1 3 369.485 -0.441 20 0 FBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000659692033 485244194 /nfs/dbraw/zinc/24/41/94/485244194.db2.gz WCCDDSNXDRTSJZ-CYBMUJFWSA-N 1 3 363.462 -0.682 20 0 FBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000659692034 485244266 /nfs/dbraw/zinc/24/42/66/485244266.db2.gz WCCDDSNXDRTSJZ-ZDUSSCGKSA-N 1 3 363.462 -0.682 20 0 FBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000659696405 485245252 /nfs/dbraw/zinc/24/52/52/485245252.db2.gz NLPCAXMRFVXDLG-HNNXBMFYSA-N 1 3 362.478 -0.566 20 0 FBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000659696406 485245584 /nfs/dbraw/zinc/24/55/84/485245584.db2.gz NLPCAXMRFVXDLG-OAHLLOKOSA-N 1 3 362.478 -0.566 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H](CN)C1 ZINC000659696705 485245328 /nfs/dbraw/zinc/24/53/28/485245328.db2.gz PASFUNXSODNLOR-ILXRZTDVSA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H](CN)C1 ZINC000659696705 485245323 /nfs/dbraw/zinc/24/53/23/485245323.db2.gz PASFUNXSODNLOR-ILXRZTDVSA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H](CN)C1 ZINC000659696706 485245878 /nfs/dbraw/zinc/24/58/78/485245878.db2.gz PASFUNXSODNLOR-KFWWJZLASA-N 1 3 367.494 -0.724 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H](CN)C1 ZINC000659696706 485245873 /nfs/dbraw/zinc/24/58/73/485245873.db2.gz PASFUNXSODNLOR-KFWWJZLASA-N 1 3 367.494 -0.724 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659698283 484246700 /nfs/dbraw/zinc/24/67/00/484246700.db2.gz GYQPYETZZAAORM-UHFFFAOYSA-N 1 3 353.511 -0.092 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659698655 485245720 /nfs/dbraw/zinc/24/57/20/485245720.db2.gz GYJFWKVPDDUPKH-AWEZNQCLSA-N 1 3 367.494 -0.567 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659698656 485245270 /nfs/dbraw/zinc/24/52/70/485245270.db2.gz GYJFWKVPDDUPKH-CQSZACIVSA-N 1 3 367.494 -0.567 20 0 FBADHO CCN1CCN(CCCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659698804 485244970 /nfs/dbraw/zinc/24/49/70/485244970.db2.gz MVVRRSQGXIGJCO-UHFFFAOYSA-N 1 3 351.495 -0.530 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000659699053 485245682 /nfs/dbraw/zinc/24/56/82/485245682.db2.gz JOUQHGQTXPQLTL-CABCVRRESA-N 1 3 369.510 -0.465 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000659699054 485245126 /nfs/dbraw/zinc/24/51/26/485245126.db2.gz JOUQHGQTXPQLTL-HUUCEWRRSA-N 1 3 369.510 -0.465 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659699667 485247124 /nfs/dbraw/zinc/24/71/24/485247124.db2.gz RWJZKGXCTFBRNF-CYBMUJFWSA-N 1 3 355.483 -0.759 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659699668 485246679 /nfs/dbraw/zinc/24/66/79/485246679.db2.gz RWJZKGXCTFBRNF-ZDUSSCGKSA-N 1 3 355.483 -0.759 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000659699903 485246271 /nfs/dbraw/zinc/24/62/71/485246271.db2.gz XIADSVARGPUFLK-CVEARBPZSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)(C)C[NH+](C)C ZINC000659700413 485246898 /nfs/dbraw/zinc/24/68/98/485246898.db2.gz JQXIJKBOFDQGCM-JTQLQIEISA-N 1 3 352.439 -0.650 20 0 FBADHO C[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)(C)C[NH+](C)C ZINC000659700414 485247136 /nfs/dbraw/zinc/24/71/36/485247136.db2.gz JQXIJKBOFDQGCM-SNVBAGLBSA-N 1 3 352.439 -0.650 20 0 FBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000659701570 485246663 /nfs/dbraw/zinc/24/66/63/485246663.db2.gz GGYGPPGNURONTG-AWEZNQCLSA-N 1 3 362.474 -0.016 20 0 FBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000659701571 485246373 /nfs/dbraw/zinc/24/63/73/485246373.db2.gz GGYGPPGNURONTG-CQSZACIVSA-N 1 3 362.474 -0.016 20 0 FBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000659704107 485246627 /nfs/dbraw/zinc/24/66/27/485246627.db2.gz KQLZWOQHZVNMIS-UHFFFAOYSA-N 1 3 350.463 -0.303 20 0 FBADHO C[N@@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCC1 ZINC000659704149 485246727 /nfs/dbraw/zinc/24/67/27/485246727.db2.gz MKACJIUBLGSQNU-UHFFFAOYSA-N 1 3 350.423 -0.752 20 0 FBADHO C[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCC1 ZINC000659704149 485246721 /nfs/dbraw/zinc/24/67/21/485246721.db2.gz MKACJIUBLGSQNU-UHFFFAOYSA-N 1 3 350.423 -0.752 20 0 FBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000659704700 485246445 /nfs/dbraw/zinc/24/64/45/485246445.db2.gz RNTGHMZRIGXHRS-UHFFFAOYSA-N 1 3 350.463 -0.384 20 0 FBADHO CC(C)[NH+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000659704963 485247061 /nfs/dbraw/zinc/24/70/61/485247061.db2.gz RGKZLMPDDDQFMO-UHFFFAOYSA-N 1 3 366.466 -0.118 20 0 FBADHO CC(C)(CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCC1 ZINC000659705569 485247101 /nfs/dbraw/zinc/24/71/01/485247101.db2.gz YRQATHYIGMZNEA-UHFFFAOYSA-N 1 3 364.450 -0.505 20 0 FBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000659706836 485248318 /nfs/dbraw/zinc/24/83/18/485248318.db2.gz PZSIOMVAMCEJEU-AWEZNQCLSA-N 1 3 362.474 -0.016 20 0 FBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000659706837 485248126 /nfs/dbraw/zinc/24/81/26/485248126.db2.gz PZSIOMVAMCEJEU-CQSZACIVSA-N 1 3 362.474 -0.016 20 0 FBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659707440 485247503 /nfs/dbraw/zinc/24/75/03/485247503.db2.gz ITJCBTMTEZRYLH-UHFFFAOYSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@H](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCC1 ZINC000659707608 485247856 /nfs/dbraw/zinc/24/78/56/485247856.db2.gz YQODZQAJAJYNGA-GFCCVEGCSA-N 1 3 364.450 -0.362 20 0 FBADHO C[C@@H](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCC1 ZINC000659707610 485248368 /nfs/dbraw/zinc/24/83/68/485248368.db2.gz YQODZQAJAJYNGA-LBPRGKRZSA-N 1 3 364.450 -0.362 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659707664 485247871 /nfs/dbraw/zinc/24/78/71/485247871.db2.gz HHJZFCWDNHMIIY-INIZCTEOSA-N 1 3 354.495 -0.081 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659707667 485248334 /nfs/dbraw/zinc/24/83/34/485248334.db2.gz HHJZFCWDNHMIIY-MRXNPFEDSA-N 1 3 354.495 -0.081 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659708369 485247842 /nfs/dbraw/zinc/24/78/42/485247842.db2.gz ROKAMVAPAJBFRK-INIZCTEOSA-N 1 3 354.495 -0.081 20 0 FBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659708370 485248366 /nfs/dbraw/zinc/24/83/66/485248366.db2.gz ROKAMVAPAJBFRK-MRXNPFEDSA-N 1 3 354.495 -0.081 20 0 FBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659708427 485248357 /nfs/dbraw/zinc/24/83/57/485248357.db2.gz QYHCSKUWFCJSGC-UHFFFAOYSA-N 1 3 352.479 -0.140 20 0 FBADHO CC(C)[NH+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000659708983 485247571 /nfs/dbraw/zinc/24/75/71/485247571.db2.gz BRLCWEQXOCEMNY-UHFFFAOYSA-N 1 3 352.439 -0.508 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659709143 485249293 /nfs/dbraw/zinc/24/92/93/485249293.db2.gz FLXBWXVCGDJVCK-KSTDHSDQSA-N 1 3 351.495 -0.674 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659709144 485249270 /nfs/dbraw/zinc/24/92/70/485249270.db2.gz FLXBWXVCGDJVCK-SYJJWHGVSA-N 1 3 351.495 -0.674 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659709145 485249417 /nfs/dbraw/zinc/24/94/17/485249417.db2.gz FPGJBYMOEDLCOV-HNNXBMFYSA-N 1 3 353.511 -0.236 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659709146 485249232 /nfs/dbraw/zinc/24/92/32/485249232.db2.gz FPGJBYMOEDLCOV-OAHLLOKOSA-N 1 3 353.511 -0.236 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659709171 485248935 /nfs/dbraw/zinc/24/89/35/485248935.db2.gz GGEXPPNOTXSLMJ-IKGGRYGDSA-N 1 3 367.538 -0.038 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659709172 485249393 /nfs/dbraw/zinc/24/93/93/485249393.db2.gz GGEXPPNOTXSLMJ-ZACQAIPSSA-N 1 3 367.538 -0.038 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCCC1 ZINC000659710028 485249409 /nfs/dbraw/zinc/24/94/09/485249409.db2.gz OKORMAWVAIHVKK-UHFFFAOYSA-N 1 3 364.450 -0.362 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659710890 485248865 /nfs/dbraw/zinc/24/88/65/485248865.db2.gz SIHILCHJFZCLCY-HNNXBMFYSA-N 1 3 351.495 -0.469 20 0 FBADHO O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659710891 485248891 /nfs/dbraw/zinc/24/88/91/485248891.db2.gz SIHILCHJFZCLCY-OAHLLOKOSA-N 1 3 351.495 -0.469 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659711145 485249376 /nfs/dbraw/zinc/24/93/76/485249376.db2.gz XCYBWYWDJDBIGG-HZPDHXFCSA-N 1 3 355.527 -0.134 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659711146 485249251 /nfs/dbraw/zinc/24/92/51/485249251.db2.gz XCYBWYWDJDBIGG-JKSUJKDBSA-N 1 3 355.527 -0.134 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659711167 485249334 /nfs/dbraw/zinc/24/93/34/485249334.db2.gz YBWXXHIPDPAQGB-KSTDHSDQSA-N 1 3 351.495 -0.756 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659711168 485249148 /nfs/dbraw/zinc/24/91/48/485249148.db2.gz YBWXXHIPDPAQGB-SYJJWHGVSA-N 1 3 351.495 -0.756 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000659711169 485248744 /nfs/dbraw/zinc/24/87/44/485248744.db2.gz YCBARJFUJZGDEE-OAGGEKHMSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000659711170 485249190 /nfs/dbraw/zinc/24/91/90/485249190.db2.gz YCBARJFUJZGDEE-PMPSAXMXSA-N 1 3 353.511 -0.428 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659711381 485248714 /nfs/dbraw/zinc/24/87/14/485248714.db2.gz XLEPLJUMOVQXBL-INIZCTEOSA-N 1 3 365.522 -0.079 20 0 FBADHO O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659711382 485249071 /nfs/dbraw/zinc/24/90/71/485249071.db2.gz XLEPLJUMOVQXBL-MRXNPFEDSA-N 1 3 365.522 -0.079 20 0 FBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659717325 485250740 /nfs/dbraw/zinc/25/07/40/485250740.db2.gz GTTPLFBSFZYOCD-BPUTZDHNSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659717326 485251314 /nfs/dbraw/zinc/25/13/14/485251314.db2.gz GTTPLFBSFZYOCD-CWRNSKLLSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659717327 485251678 /nfs/dbraw/zinc/25/16/78/485251678.db2.gz GTTPLFBSFZYOCD-IMJJTQAJSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659717328 485251741 /nfs/dbraw/zinc/25/17/41/485251741.db2.gz GTTPLFBSFZYOCD-NUEKZKHPSA-N 1 3 352.479 -0.010 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659718096 485250812 /nfs/dbraw/zinc/25/08/12/485250812.db2.gz MZPHJOLSSDCBAS-AEGPPILISA-N 1 3 368.478 -0.415 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659718097 485251007 /nfs/dbraw/zinc/25/10/07/485251007.db2.gz MZPHJOLSSDCBAS-CFVMTHIKSA-N 1 3 368.478 -0.415 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659718098 485251737 /nfs/dbraw/zinc/25/17/37/485251737.db2.gz MZPHJOLSSDCBAS-NWANDNLSSA-N 1 3 368.478 -0.415 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659718099 485250886 /nfs/dbraw/zinc/25/08/86/485250886.db2.gz MZPHJOLSSDCBAS-QEJZJMRPSA-N 1 3 368.478 -0.415 20 0 FBADHO [NH3+]C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000659719101 485251189 /nfs/dbraw/zinc/25/11/89/485251189.db2.gz FYSSGOYNOMCIDD-CVEARBPZSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCCC1 ZINC000659719102 485251382 /nfs/dbraw/zinc/25/13/82/485251382.db2.gz FYSSGOYNOMCIDD-HOTGVXAUSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000659719103 485251032 /nfs/dbraw/zinc/25/10/32/485251032.db2.gz FYSSGOYNOMCIDD-HZPDHXFCSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCCC1 ZINC000659719104 485252100 /nfs/dbraw/zinc/25/21/00/485252100.db2.gz FYSSGOYNOMCIDD-JKSUJKDBSA-N 1 3 352.479 -0.010 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659719464 485253072 /nfs/dbraw/zinc/25/30/72/485253072.db2.gz YIKWZNXWVBZJKW-KKUMJFAQSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659719465 485252779 /nfs/dbraw/zinc/25/27/79/485252779.db2.gz YIKWZNXWVBZJKW-RRFJBIMHSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659719466 485252841 /nfs/dbraw/zinc/25/28/41/485252841.db2.gz YIKWZNXWVBZJKW-SOUVJXGZSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659719467 485252856 /nfs/dbraw/zinc/25/28/56/485252856.db2.gz YIKWZNXWVBZJKW-ZNMIVQPWSA-N 1 3 370.494 -0.215 20 0 FBADHO C[C@@]1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659724581 485253475 /nfs/dbraw/zinc/25/34/75/485253475.db2.gz RNGRQQLLUYKCSR-CRAIPNDOSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@@]1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659724582 485253670 /nfs/dbraw/zinc/25/36/70/485253670.db2.gz RNGRQQLLUYKCSR-MAUKXSAKSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@]1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659724583 485253901 /nfs/dbraw/zinc/25/39/01/485253901.db2.gz RNGRQQLLUYKCSR-QAPCUYQASA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@]1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659724584 485254114 /nfs/dbraw/zinc/25/41/14/485254114.db2.gz RNGRQQLLUYKCSR-YJBOKZPZSA-N 1 3 352.479 -0.138 20 0 FBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659726156 485254929 /nfs/dbraw/zinc/25/49/29/485254929.db2.gz ABUGKWMTXPZYIO-UHFFFAOYSA-N 1 3 352.439 -0.649 20 0 FBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659726156 485254923 /nfs/dbraw/zinc/25/49/23/485254923.db2.gz ABUGKWMTXPZYIO-UHFFFAOYSA-N 1 3 352.439 -0.649 20 0 FBADHO NC1(CNC(=O)C(=O)N[C@H]2CCNC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000659730753 485256187 /nfs/dbraw/zinc/25/61/87/485256187.db2.gz ZDINVGHEPMLNMA-HNNXBMFYSA-N 1 3 373.457 -0.899 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000659732308 485256096 /nfs/dbraw/zinc/25/60/96/485256096.db2.gz LYDAXZUSCLCAQP-CVEARBPZSA-N 1 3 365.522 -0.142 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000659732310 485256374 /nfs/dbraw/zinc/25/63/74/485256374.db2.gz LYDAXZUSCLCAQP-HOTGVXAUSA-N 1 3 365.522 -0.142 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000659732311 485256327 /nfs/dbraw/zinc/25/63/27/485256327.db2.gz LYDAXZUSCLCAQP-HZPDHXFCSA-N 1 3 365.522 -0.142 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000659732312 485256218 /nfs/dbraw/zinc/25/62/18/485256218.db2.gz LYDAXZUSCLCAQP-JKSUJKDBSA-N 1 3 365.522 -0.142 20 0 FBADHO CN1CCN(CC2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659732397 485256070 /nfs/dbraw/zinc/25/60/70/485256070.db2.gz MVSVKUXESSCWOG-UHFFFAOYSA-N 1 3 365.522 -0.140 20 0 FBADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC1 ZINC000659732518 485255546 /nfs/dbraw/zinc/25/55/46/485255546.db2.gz LNVZENRWGWKQTA-UHFFFAOYSA-N 1 3 365.478 -0.859 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732549 485256356 /nfs/dbraw/zinc/25/63/56/485256356.db2.gz PWVXDSFCJOPEIK-UHFFFAOYSA-N 1 3 367.494 -0.613 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)C1 ZINC000659733595 485255716 /nfs/dbraw/zinc/25/57/16/485255716.db2.gz URPRGZMMCGPYKS-HNNXBMFYSA-N 1 3 351.495 -0.388 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)C1 ZINC000659733597 485255859 /nfs/dbraw/zinc/25/58/59/485255859.db2.gz URPRGZMMCGPYKS-OAHLLOKOSA-N 1 3 351.495 -0.388 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733625 485255679 /nfs/dbraw/zinc/25/56/79/485255679.db2.gz VJBGTWCFLOKLIM-AWEZNQCLSA-N 1 3 365.478 -0.861 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733627 485255525 /nfs/dbraw/zinc/25/55/25/485255525.db2.gz VJBGTWCFLOKLIM-CQSZACIVSA-N 1 3 365.478 -0.861 20 0 FBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](CN)C1 ZINC000659736304 485256748 /nfs/dbraw/zinc/25/67/48/485256748.db2.gz MNTWFHWTPOEDST-GDBMZVCRSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](CN)C1 ZINC000659736304 485256744 /nfs/dbraw/zinc/25/67/44/485256744.db2.gz MNTWFHWTPOEDST-GDBMZVCRSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](CN)C1 ZINC000659736306 485257216 /nfs/dbraw/zinc/25/72/16/485257216.db2.gz MNTWFHWTPOEDST-GOEBONIOSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](CN)C1 ZINC000659736306 485257211 /nfs/dbraw/zinc/25/72/11/485257211.db2.gz MNTWFHWTPOEDST-GOEBONIOSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000659736309 485257285 /nfs/dbraw/zinc/25/72/85/485257285.db2.gz MNTWFHWTPOEDST-HOCLYGCPSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000659736309 485257279 /nfs/dbraw/zinc/25/72/79/485257279.db2.gz MNTWFHWTPOEDST-HOCLYGCPSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000659736311 485256762 /nfs/dbraw/zinc/25/67/62/485256762.db2.gz MNTWFHWTPOEDST-ZBFHGGJFSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000659736311 485256759 /nfs/dbraw/zinc/25/67/59/485256759.db2.gz MNTWFHWTPOEDST-ZBFHGGJFSA-N 1 3 351.495 -0.389 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659738548 485256638 /nfs/dbraw/zinc/25/66/38/485256638.db2.gz GAXNCESRHGFYID-FMKPAKJESA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659738549 485257493 /nfs/dbraw/zinc/25/74/93/485257493.db2.gz GAXNCESRHGFYID-IIAWOOMASA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@@H]1C[NH3+] ZINC000659738550 485256834 /nfs/dbraw/zinc/25/68/34/485256834.db2.gz GAXNCESRHGFYID-IJEWVQPXSA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@H]1C[NH3+] ZINC000659738552 485257302 /nfs/dbraw/zinc/25/73/02/485257302.db2.gz GAXNCESRHGFYID-YCPHGPKFSA-N 1 3 352.479 -0.201 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000659738892 485258207 /nfs/dbraw/zinc/25/82/07/485258207.db2.gz KBLSJHKKTICFNL-CABCVRRESA-N 1 3 367.494 -0.567 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000659738893 485258497 /nfs/dbraw/zinc/25/84/97/485258497.db2.gz KBLSJHKKTICFNL-GJZGRUSLSA-N 1 3 367.494 -0.567 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000659738894 485258569 /nfs/dbraw/zinc/25/85/69/485258569.db2.gz KBLSJHKKTICFNL-HUUCEWRRSA-N 1 3 367.494 -0.567 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000659738895 485257998 /nfs/dbraw/zinc/25/79/98/485257998.db2.gz KBLSJHKKTICFNL-LSDHHAIUSA-N 1 3 367.494 -0.567 20 0 FBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659739264 485258396 /nfs/dbraw/zinc/25/83/96/485258396.db2.gz PHCFLBOWFNRFEH-DZGCQCFKSA-N 1 3 363.466 -0.499 20 0 FBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659739264 485258395 /nfs/dbraw/zinc/25/83/95/485258395.db2.gz PHCFLBOWFNRFEH-DZGCQCFKSA-N 1 3 363.466 -0.499 20 0 FBADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659739265 485258600 /nfs/dbraw/zinc/25/86/00/485258600.db2.gz PHCFLBOWFNRFEH-HIFRSBDPSA-N 1 3 363.466 -0.499 20 0 FBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659739265 485258595 /nfs/dbraw/zinc/25/85/95/485258595.db2.gz PHCFLBOWFNRFEH-HIFRSBDPSA-N 1 3 363.466 -0.499 20 0 FBADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659739266 485258483 /nfs/dbraw/zinc/25/84/83/485258483.db2.gz PHCFLBOWFNRFEH-UKRRQHHQSA-N 1 3 363.466 -0.499 20 0 FBADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000659739266 485258477 /nfs/dbraw/zinc/25/84/77/485258477.db2.gz PHCFLBOWFNRFEH-UKRRQHHQSA-N 1 3 363.466 -0.499 20 0 FBADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659739267 485258042 /nfs/dbraw/zinc/25/80/42/485258042.db2.gz PHCFLBOWFNRFEH-ZFWWWQNUSA-N 1 3 363.466 -0.499 20 0 FBADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000659739267 485258040 /nfs/dbraw/zinc/25/80/40/485258040.db2.gz PHCFLBOWFNRFEH-ZFWWWQNUSA-N 1 3 363.466 -0.499 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659739329 485258530 /nfs/dbraw/zinc/25/85/30/485258530.db2.gz REBUBYSRDPFJHC-FVQBIDKESA-N 1 3 368.478 -0.822 20 0 FBADHO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659739355 485258114 /nfs/dbraw/zinc/25/81/14/485258114.db2.gz REBUBYSRDPFJHC-VNQPRFMTSA-N 1 3 368.478 -0.822 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659739403 485258193 /nfs/dbraw/zinc/25/81/93/485258193.db2.gz SYWXKUOVAMAYOE-BMFZPTHFSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659739404 485258299 /nfs/dbraw/zinc/25/82/99/485258299.db2.gz SYWXKUOVAMAYOE-KBMXLJTQSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)[C@H]1C[NH3+] ZINC000659739446 485258154 /nfs/dbraw/zinc/25/81/54/485258154.db2.gz UPOMEFAZZQJETA-BMFZPTHFSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)[C@@H]1C[NH3+] ZINC000659739447 485257893 /nfs/dbraw/zinc/25/78/93/485257893.db2.gz UPOMEFAZZQJETA-FVQBIDKESA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)[C@H]1C[NH3+] ZINC000659739448 485258058 /nfs/dbraw/zinc/25/80/58/485258058.db2.gz UPOMEFAZZQJETA-KBMXLJTQSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)[C@@H]1C[NH3+] ZINC000659739449 485258139 /nfs/dbraw/zinc/25/81/39/485258139.db2.gz UPOMEFAZZQJETA-VNQPRFMTSA-N 1 3 352.479 -0.058 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@@H]21 ZINC000659739530 485258555 /nfs/dbraw/zinc/25/85/55/485258555.db2.gz WUMJJBDGFOIPNG-BSWAZPDLSA-N 1 3 364.490 -0.058 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@H]21 ZINC000659739531 485258423 /nfs/dbraw/zinc/25/84/23/485258423.db2.gz WUMJJBDGFOIPNG-MWQQHZPXSA-N 1 3 364.490 -0.058 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000659739532 485257945 /nfs/dbraw/zinc/25/79/45/485257945.db2.gz WUMJJBDGFOIPNG-MXASKKJJSA-N 1 3 364.490 -0.058 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@H]21 ZINC000659739533 485257856 /nfs/dbraw/zinc/25/78/56/485257856.db2.gz WUMJJBDGFOIPNG-XLNGHYISSA-N 1 3 364.490 -0.058 20 0 FBADHO CCCN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000659739703 485258105 /nfs/dbraw/zinc/25/81/05/485258105.db2.gz YITWJBJMMQJRFN-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO CCCN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC000659739704 485257987 /nfs/dbraw/zinc/25/79/87/485257987.db2.gz YITWJBJMMQJRFN-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO CCCN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000659739705 485258450 /nfs/dbraw/zinc/25/84/50/485258450.db2.gz YITWJBJMMQJRFN-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO CCCN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC000659739706 485258369 /nfs/dbraw/zinc/25/83/69/485258369.db2.gz YITWJBJMMQJRFN-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000659741033 485259422 /nfs/dbraw/zinc/25/94/22/485259422.db2.gz JEYLTGPNORDAAB-BBWFWOEESA-N 1 3 367.538 -0.040 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000659741036 485259093 /nfs/dbraw/zinc/25/90/93/485259093.db2.gz JEYLTGPNORDAAB-BRWVUGGUSA-N 1 3 367.538 -0.040 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000659741038 485259572 /nfs/dbraw/zinc/25/95/72/485259572.db2.gz JEYLTGPNORDAAB-GVDBMIGSSA-N 1 3 367.538 -0.040 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000659741040 485259071 /nfs/dbraw/zinc/25/90/71/485259071.db2.gz JEYLTGPNORDAAB-ZACQAIPSSA-N 1 3 367.538 -0.040 20 0 FBADHO CN1CCN(CC2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659743338 485260009 /nfs/dbraw/zinc/26/00/09/485260009.db2.gz MJSFQCFOBNJFHR-UHFFFAOYSA-N 1 3 363.506 -0.659 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744452 485260563 /nfs/dbraw/zinc/26/05/63/485260563.db2.gz WGUOJAHPQRWIHV-UHFFFAOYSA-N 1 3 359.430 -0.393 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000659744476 485260230 /nfs/dbraw/zinc/26/02/30/485260230.db2.gz LMBMPXKBJUVYGQ-HZPDHXFCSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000659744478 485260117 /nfs/dbraw/zinc/26/01/17/485260117.db2.gz LMBMPXKBJUVYGQ-JKSUJKDBSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659745603 485260442 /nfs/dbraw/zinc/26/04/42/485260442.db2.gz BJLQTFGGEBPNMN-OAHLLOKOSA-N 1 3 367.494 -0.757 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659746016 485260542 /nfs/dbraw/zinc/26/05/42/485260542.db2.gz GPWCMSZDZIUMEV-OAHLLOKOSA-N 1 3 369.510 -0.511 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659746456 485261132 /nfs/dbraw/zinc/26/11/32/485261132.db2.gz LHYKYNBSAUBLBL-CABCVRRESA-N 1 3 367.494 -0.759 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659746457 485261292 /nfs/dbraw/zinc/26/12/92/485261292.db2.gz LHYKYNBSAUBLBL-HUUCEWRRSA-N 1 3 367.494 -0.759 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000659747270 485261628 /nfs/dbraw/zinc/26/16/28/485261628.db2.gz WQPPKCXSKLEGEV-QGZVFWFLSA-N 1 3 367.538 -0.038 20 0 FBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747339 485261432 /nfs/dbraw/zinc/26/14/32/485261432.db2.gz BXJIASXYYVKARS-UHFFFAOYSA-N 1 3 352.439 -0.553 20 0 FBADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747676 485262170 /nfs/dbraw/zinc/26/21/70/485262170.db2.gz HUFBUZROLVQVHM-CYBMUJFWSA-N 1 3 364.450 -0.410 20 0 FBADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747676 485262165 /nfs/dbraw/zinc/26/21/65/485262165.db2.gz HUFBUZROLVQVHM-CYBMUJFWSA-N 1 3 364.450 -0.410 20 0 FBADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747703 485261313 /nfs/dbraw/zinc/26/13/13/485261313.db2.gz HUFBUZROLVQVHM-ZDUSSCGKSA-N 1 3 364.450 -0.410 20 0 FBADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747703 485261308 /nfs/dbraw/zinc/26/13/08/485261308.db2.gz HUFBUZROLVQVHM-ZDUSSCGKSA-N 1 3 364.450 -0.410 20 0 FBADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@@H]21 ZINC000659747989 485262869 /nfs/dbraw/zinc/26/28/69/485262869.db2.gz CAOBDAXNQJPXLE-AAEUAGOBSA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@@H]21 ZINC000659747989 485262865 /nfs/dbraw/zinc/26/28/65/485262865.db2.gz CAOBDAXNQJPXLE-AAEUAGOBSA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@H]21 ZINC000659747990 485262983 /nfs/dbraw/zinc/26/29/83/485262983.db2.gz CAOBDAXNQJPXLE-DGCLKSJQSA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@H]21 ZINC000659747990 485262980 /nfs/dbraw/zinc/26/29/80/485262980.db2.gz CAOBDAXNQJPXLE-DGCLKSJQSA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@H]21 ZINC000659747992 485263158 /nfs/dbraw/zinc/26/31/58/485263158.db2.gz CAOBDAXNQJPXLE-WCQYABFASA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@H]21 ZINC000659747992 485263152 /nfs/dbraw/zinc/26/31/52/485263152.db2.gz CAOBDAXNQJPXLE-WCQYABFASA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@@H]21 ZINC000659747993 485262768 /nfs/dbraw/zinc/26/27/68/485262768.db2.gz CAOBDAXNQJPXLE-YPMHNXCESA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC[C@@H]21 ZINC000659747993 485262765 /nfs/dbraw/zinc/26/27/65/485262765.db2.gz CAOBDAXNQJPXLE-YPMHNXCESA-N 1 3 362.434 -0.800 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748269 485263434 /nfs/dbraw/zinc/26/34/34/485263434.db2.gz RQZRXYPRPDLBFQ-GFCCVEGCSA-N 1 3 350.423 -0.800 20 0 FBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748270 485263625 /nfs/dbraw/zinc/26/36/25/485263625.db2.gz RQZRXYPRPDLBFQ-LBPRGKRZSA-N 1 3 350.423 -0.800 20 0 FBADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748368 485262843 /nfs/dbraw/zinc/26/28/43/485262843.db2.gz UPZJOLZEAMLJDV-GFCCVEGCSA-N 1 3 364.450 -0.553 20 0 FBADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748368 485262840 /nfs/dbraw/zinc/26/28/40/485262840.db2.gz UPZJOLZEAMLJDV-GFCCVEGCSA-N 1 3 364.450 -0.553 20 0 FBADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748370 485262755 /nfs/dbraw/zinc/26/27/55/485262755.db2.gz UPZJOLZEAMLJDV-LBPRGKRZSA-N 1 3 364.450 -0.553 20 0 FBADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748370 485262752 /nfs/dbraw/zinc/26/27/52/485262752.db2.gz UPZJOLZEAMLJDV-LBPRGKRZSA-N 1 3 364.450 -0.553 20 0 FBADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748566 485262903 /nfs/dbraw/zinc/26/29/03/485262903.db2.gz XOYDBKKAQFAHGB-UHFFFAOYSA-N 1 3 364.450 -0.409 20 0 FBADHO C[NH+](C)CCC1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659748841 485263738 /nfs/dbraw/zinc/26/37/38/485263738.db2.gz MUOVWSWDALHLML-UHFFFAOYSA-N 1 3 364.450 -0.553 20 0 FBADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748900 485264576 /nfs/dbraw/zinc/26/45/76/485264576.db2.gz OQTQHHIPEPSFMW-AAEUAGOBSA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748900 485264573 /nfs/dbraw/zinc/26/45/73/485264573.db2.gz OQTQHHIPEPSFMW-AAEUAGOBSA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748901 485264796 /nfs/dbraw/zinc/26/47/96/485264796.db2.gz OQTQHHIPEPSFMW-DGCLKSJQSA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748901 485264793 /nfs/dbraw/zinc/26/47/93/485264793.db2.gz OQTQHHIPEPSFMW-DGCLKSJQSA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748902 485264681 /nfs/dbraw/zinc/26/46/81/485264681.db2.gz OQTQHHIPEPSFMW-WCQYABFASA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748902 485264678 /nfs/dbraw/zinc/26/46/78/485264678.db2.gz OQTQHHIPEPSFMW-WCQYABFASA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748903 485264854 /nfs/dbraw/zinc/26/48/54/485264854.db2.gz OQTQHHIPEPSFMW-YPMHNXCESA-N 1 3 362.434 -0.800 20 0 FBADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659748903 485264849 /nfs/dbraw/zinc/26/48/49/485264849.db2.gz OQTQHHIPEPSFMW-YPMHNXCESA-N 1 3 362.434 -0.800 20 0 FBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659749034 485264320 /nfs/dbraw/zinc/26/43/20/485264320.db2.gz PXEFVLKAKZWCKS-LLVKDONJSA-N 1 3 350.423 -0.754 20 0 FBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659749035 485265012 /nfs/dbraw/zinc/26/50/12/485265012.db2.gz PXEFVLKAKZWCKS-NSHDSACASA-N 1 3 350.423 -0.754 20 0 FBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000659749195 485264820 /nfs/dbraw/zinc/26/48/20/485264820.db2.gz FRHGGUJCCADAFL-HNNXBMFYSA-N 1 3 353.511 -0.273 20 0 FBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000659749196 485264998 /nfs/dbraw/zinc/26/49/98/485264998.db2.gz FRHGGUJCCADAFL-OAHLLOKOSA-N 1 3 353.511 -0.273 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCCC1 ZINC000659749281 485264425 /nfs/dbraw/zinc/26/44/25/485264425.db2.gz UTCYTHXJCJGXTA-GFCCVEGCSA-N 1 3 364.450 -0.505 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCCC1 ZINC000659749282 485264695 /nfs/dbraw/zinc/26/46/95/485264695.db2.gz UTCYTHXJCJGXTA-LBPRGKRZSA-N 1 3 364.450 -0.505 20 0 FBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000659751840 485264770 /nfs/dbraw/zinc/26/47/70/485264770.db2.gz JSTTYVDIEPBJAR-HNNXBMFYSA-N 1 3 353.511 -0.413 20 0 FBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000659751846 485264642 /nfs/dbraw/zinc/26/46/42/485264642.db2.gz JSTTYVDIEPBJAR-OAHLLOKOSA-N 1 3 353.511 -0.413 20 0 FBADHO CN1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@@H](CN)C1 ZINC000659753946 485265880 /nfs/dbraw/zinc/26/58/80/485265880.db2.gz BWXAZJCKNGQABB-INIZCTEOSA-N 1 3 351.495 -0.674 20 0 FBADHO CN1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@H](CN)C1 ZINC000659753948 485265406 /nfs/dbraw/zinc/26/54/06/485265406.db2.gz BWXAZJCKNGQABB-MRXNPFEDSA-N 1 3 351.495 -0.674 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000661232656 485308805 /nfs/dbraw/zinc/30/88/05/485308805.db2.gz FYEYOFZUQWZTCM-OWCLPIDISA-N 1 3 352.479 -0.139 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000661232658 485308735 /nfs/dbraw/zinc/30/87/35/485308735.db2.gz FYEYOFZUQWZTCM-PMPSAXMXSA-N 1 3 352.479 -0.139 20 0 FBADHO CO[C@]1(CO)CCCN(CCOCC[N@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661391488 485312660 /nfs/dbraw/zinc/31/26/60/485312660.db2.gz GECJMYLNNSXBNX-QZTJIDSGSA-N 1 3 360.495 -0.050 20 0 FBADHO CO[C@]1(CO)CCCN(CCOCC[N@@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661391488 485312657 /nfs/dbraw/zinc/31/26/57/485312657.db2.gz GECJMYLNNSXBNX-QZTJIDSGSA-N 1 3 360.495 -0.050 20 0 FBADHO CO[C@@]1(CO)CCCN(CCOCC[N@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661391489 485313110 /nfs/dbraw/zinc/31/31/10/485313110.db2.gz GECJMYLNNSXBNX-ROUUACIJSA-N 1 3 360.495 -0.050 20 0 FBADHO CO[C@@]1(CO)CCCN(CCOCC[N@@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661391489 485313107 /nfs/dbraw/zinc/31/31/07/485313107.db2.gz GECJMYLNNSXBNX-ROUUACIJSA-N 1 3 360.495 -0.050 20 0 FBADHO NCC12CC(C1)C[N@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000662308109 485336734 /nfs/dbraw/zinc/33/67/34/485336734.db2.gz WRIOPVJHUVQKOP-UHFFFAOYSA-N 1 3 366.487 -0.194 20 0 FBADHO NCC12CC(C1)C[N@@H+]2CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000662308109 485336731 /nfs/dbraw/zinc/33/67/31/485336731.db2.gz WRIOPVJHUVQKOP-UHFFFAOYSA-N 1 3 366.487 -0.194 20 0 FBADHO CNS(=O)(=O)CCCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338440 485336659 /nfs/dbraw/zinc/33/66/59/485336659.db2.gz RHHJPFLZLHXKRY-AWEZNQCLSA-N 1 3 370.523 -0.062 20 0 FBADHO CNS(=O)(=O)CCCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338441 485336507 /nfs/dbraw/zinc/33/65/07/485336507.db2.gz RHHJPFLZLHXKRY-CQSZACIVSA-N 1 3 370.523 -0.062 20 0 FBADHO [NH3+]CCn1cc(C(=O)NCCCN2CCN(c3ccncc3)CC2)nn1 ZINC000662427328 485337918 /nfs/dbraw/zinc/33/79/18/485337918.db2.gz GAWSTGVYGUJISB-UHFFFAOYSA-N 1 3 358.450 -0.426 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662444293 485338996 /nfs/dbraw/zinc/33/89/96/485338996.db2.gz HPYGCVBMIDRILH-AWEZNQCLSA-N 1 3 360.462 -0.133 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662444297 485338724 /nfs/dbraw/zinc/33/87/24/485338724.db2.gz HPYGCVBMIDRILH-CQSZACIVSA-N 1 3 360.462 -0.133 20 0 FBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662529455 485339980 /nfs/dbraw/zinc/33/99/80/485339980.db2.gz XGAXAAFVGFFFCA-UHFFFAOYSA-N 1 3 359.434 -0.542 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662660351 483906463 /nfs/dbraw/zinc/90/64/63/483906463.db2.gz USIBLVVBWOVZLM-HNNXBMFYSA-N 1 3 350.467 -0.100 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662660352 483906413 /nfs/dbraw/zinc/90/64/13/483906413.db2.gz USIBLVVBWOVZLM-OAHLLOKOSA-N 1 3 350.467 -0.100 20 0 FBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857585 483915712 /nfs/dbraw/zinc/91/57/12/483915712.db2.gz BKLUPHDGPVQIIK-DLBZAZTESA-N 1 3 360.458 -0.262 20 0 FBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857586 483916279 /nfs/dbraw/zinc/91/62/79/483916279.db2.gz BKLUPHDGPVQIIK-IAGOWNOFSA-N 1 3 360.458 -0.262 20 0 FBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857588 483915530 /nfs/dbraw/zinc/91/55/30/483915530.db2.gz BKLUPHDGPVQIIK-IRXDYDNUSA-N 1 3 360.458 -0.262 20 0 FBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857590 483916082 /nfs/dbraw/zinc/91/60/82/483916082.db2.gz BKLUPHDGPVQIIK-SJORKVTESA-N 1 3 360.458 -0.262 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859742 483916562 /nfs/dbraw/zinc/91/65/62/483916562.db2.gz NZFVXGOAQBIARM-AEFFLSMTSA-N 1 3 362.474 -0.031 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859742 483916559 /nfs/dbraw/zinc/91/65/59/483916559.db2.gz NZFVXGOAQBIARM-AEFFLSMTSA-N 1 3 362.474 -0.031 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859743 483916124 /nfs/dbraw/zinc/91/61/24/483916124.db2.gz NZFVXGOAQBIARM-WMZOPIPTSA-N 1 3 362.474 -0.031 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859743 483916120 /nfs/dbraw/zinc/91/61/20/483916120.db2.gz NZFVXGOAQBIARM-WMZOPIPTSA-N 1 3 362.474 -0.031 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662874402 483916188 /nfs/dbraw/zinc/91/61/88/483916188.db2.gz NKAPCJHJNCIIGQ-AWEZNQCLSA-N 1 3 365.482 -0.315 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662874403 483915544 /nfs/dbraw/zinc/91/55/44/483915544.db2.gz NKAPCJHJNCIIGQ-CQSZACIVSA-N 1 3 365.482 -0.315 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899791 483918579 /nfs/dbraw/zinc/91/85/79/483918579.db2.gz GXNHHXSLTTZSQP-RDJZCZTQSA-N 1 3 353.511 -0.287 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899791 483918576 /nfs/dbraw/zinc/91/85/76/483918576.db2.gz GXNHHXSLTTZSQP-RDJZCZTQSA-N 1 3 353.511 -0.287 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899792 483919334 /nfs/dbraw/zinc/91/93/34/483919334.db2.gz GXNHHXSLTTZSQP-WBVHZDCISA-N 1 3 353.511 -0.287 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899792 483919328 /nfs/dbraw/zinc/91/93/28/483919328.db2.gz GXNHHXSLTTZSQP-WBVHZDCISA-N 1 3 353.511 -0.287 20 0 FBADHO CN(C(=O)CN1CCCC[C@@H](N)C1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900744 483918423 /nfs/dbraw/zinc/91/84/23/483918423.db2.gz PNSJLJFLIYRBIJ-DLBZAZTESA-N 1 3 365.522 -0.047 20 0 FBADHO CN(C(=O)CN1CCCC[C@@H](N)C1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900744 483918417 /nfs/dbraw/zinc/91/84/17/483918417.db2.gz PNSJLJFLIYRBIJ-DLBZAZTESA-N 1 3 365.522 -0.047 20 0 FBADHO CN(C(=O)CN1CCCC[C@@H](N)C1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900745 483918778 /nfs/dbraw/zinc/91/87/78/483918778.db2.gz PNSJLJFLIYRBIJ-IAGOWNOFSA-N 1 3 365.522 -0.047 20 0 FBADHO CN(C(=O)CN1CCCC[C@@H](N)C1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900745 483918775 /nfs/dbraw/zinc/91/87/75/483918775.db2.gz PNSJLJFLIYRBIJ-IAGOWNOFSA-N 1 3 365.522 -0.047 20 0 FBADHO CN(C(=O)CN1CCCC[C@H](N)C1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900746 483918520 /nfs/dbraw/zinc/91/85/20/483918520.db2.gz PNSJLJFLIYRBIJ-IRXDYDNUSA-N 1 3 365.522 -0.047 20 0 FBADHO CN(C(=O)CN1CCCC[C@H](N)C1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900746 483918515 /nfs/dbraw/zinc/91/85/15/483918515.db2.gz PNSJLJFLIYRBIJ-IRXDYDNUSA-N 1 3 365.522 -0.047 20 0 FBADHO CN(C(=O)CN1CCCC[C@H](N)C1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900747 483918703 /nfs/dbraw/zinc/91/87/03/483918703.db2.gz PNSJLJFLIYRBIJ-SJORKVTESA-N 1 3 365.522 -0.047 20 0 FBADHO CN(C(=O)CN1CCCC[C@H](N)C1=O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900747 483918698 /nfs/dbraw/zinc/91/86/98/483918698.db2.gz PNSJLJFLIYRBIJ-SJORKVTESA-N 1 3 365.522 -0.047 20 0 FBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662925553 483928584 /nfs/dbraw/zinc/92/85/84/483928584.db2.gz CFQXMYVARRXKDZ-HUUCEWRRSA-N 1 3 357.474 -0.632 20 0 FBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662925553 483928580 /nfs/dbraw/zinc/92/85/80/483928580.db2.gz CFQXMYVARRXKDZ-HUUCEWRRSA-N 1 3 357.474 -0.632 20 0 FBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662925553 483928577 /nfs/dbraw/zinc/92/85/77/483928577.db2.gz CFQXMYVARRXKDZ-HUUCEWRRSA-N 1 3 357.474 -0.632 20 0 FBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000662927893 483927417 /nfs/dbraw/zinc/92/74/17/483927417.db2.gz IBCZWSZIEVMDSQ-UHFFFAOYSA-N 1 3 353.511 -0.332 20 0 FBADHO CN1CCN(CC2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC000662928769 483928091 /nfs/dbraw/zinc/92/80/91/483928091.db2.gz UIGPUKWDOGADKU-UHFFFAOYSA-N 1 3 363.506 -0.578 20 0 FBADHO CN(C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662930022 483928542 /nfs/dbraw/zinc/92/85/42/483928542.db2.gz LHVNKDZOGGZTBT-ARFHVFGLSA-N 1 3 369.485 -0.489 20 0 FBADHO CN(C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662930023 483927799 /nfs/dbraw/zinc/92/77/99/483927799.db2.gz LHVNKDZOGGZTBT-BZUAXINKSA-N 1 3 369.485 -0.489 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662930340 483928258 /nfs/dbraw/zinc/92/82/58/483928258.db2.gz OLOBGCXSLOKXGH-UHFFFAOYSA-N 1 3 355.483 -0.805 20 0 FBADHO COc1cnccc1N1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662937426 483930181 /nfs/dbraw/zinc/93/01/81/483930181.db2.gz HILDHDFQWDSTPG-UHFFFAOYSA-N 1 3 359.430 -0.312 20 0 FBADHO C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662941045 483932590 /nfs/dbraw/zinc/93/25/90/483932590.db2.gz RYSUKZNJRDQJEU-UHFFFAOYSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000662941429 483931093 /nfs/dbraw/zinc/93/10/93/483931093.db2.gz PLIYTUMPLAWMDM-UHFFFAOYSA-N 1 3 353.511 -0.330 20 0 FBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662942053 483931036 /nfs/dbraw/zinc/93/10/36/483931036.db2.gz TZAGIXKJGDIMCA-CSLYMUCUSA-N 1 3 352.479 -0.105 20 0 FBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662942060 483932322 /nfs/dbraw/zinc/93/23/22/483932322.db2.gz TZAGIXKJGDIMCA-SWKXRBFHSA-N 1 3 352.479 -0.105 20 0 FBADHO N[C@@H]1CN(C(=O)C[C@]2(C(=O)N3CC[C@@H](F)[C@H](N)C3)CC[NH2+]C2)CC[C@H]1F ZINC000662945557 483933603 /nfs/dbraw/zinc/93/36/03/483933603.db2.gz REEGOGTYIGAFAM-CVXDVXMKSA-N 1 3 373.448 -0.848 20 0 FBADHO N[C@@H]1CN(C(=O)C[C@@]2(C(=O)N3CC[C@@H](F)[C@H](N)C3)CC[NH2+]C2)CC[C@H]1F ZINC000662945562 483934295 /nfs/dbraw/zinc/93/42/95/483934295.db2.gz REEGOGTYIGAFAM-LYUDMSCLSA-N 1 3 373.448 -0.848 20 0 FBADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000662953060 483935167 /nfs/dbraw/zinc/93/51/67/483935167.db2.gz KEGZGXYHFRPPOS-MSOLQXFVSA-N 1 3 374.485 -0.052 20 0 FBADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000662953071 483937022 /nfs/dbraw/zinc/93/70/22/483937022.db2.gz KEGZGXYHFRPPOS-QZTJIDSGSA-N 1 3 374.485 -0.052 20 0 FBADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000662953075 483936936 /nfs/dbraw/zinc/93/69/36/483936936.db2.gz KEGZGXYHFRPPOS-ROUUACIJSA-N 1 3 374.485 -0.052 20 0 FBADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000662953079 483936996 /nfs/dbraw/zinc/93/69/96/483936996.db2.gz KEGZGXYHFRPPOS-ZWKOTPCHSA-N 1 3 374.485 -0.052 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)[C@H](C[NH3+])C1 ZINC000662985135 483942042 /nfs/dbraw/zinc/94/20/42/483942042.db2.gz ROQQLFZKXQYMQQ-IKGGRYGDSA-N 1 3 365.522 -0.189 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)[C@H](C[NH3+])C1 ZINC000662985138 483942108 /nfs/dbraw/zinc/94/21/08/483942108.db2.gz ROQQLFZKXQYMQQ-ZACQAIPSSA-N 1 3 365.522 -0.189 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)[C@H](CN)C1 ZINC000662985164 483941694 /nfs/dbraw/zinc/94/16/94/483941694.db2.gz SCHVVTDUJVBYTI-ZBFHGGJFSA-N 1 3 354.495 -0.123 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)[C@H](CN)C1 ZINC000662985164 483941687 /nfs/dbraw/zinc/94/16/87/483941687.db2.gz SCHVVTDUJVBYTI-ZBFHGGJFSA-N 1 3 354.495 -0.123 20 0 FBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000662985341 483941601 /nfs/dbraw/zinc/94/16/01/483941601.db2.gz UQWFVTNTXOQRGM-CVEARBPZSA-N 1 3 353.511 -0.332 20 0 FBADHO O=C(C[C@H]1CNCCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013791 483944582 /nfs/dbraw/zinc/94/45/82/483944582.db2.gz AKVUZBZAQZHUKN-CABCVRRESA-N 1 3 362.478 -0.096 20 0 FBADHO O=C(C[C@H]1CNCCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013792 483944673 /nfs/dbraw/zinc/94/46/73/483944673.db2.gz AKVUZBZAQZHUKN-GJZGRUSLSA-N 1 3 362.478 -0.096 20 0 FBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013793 483944325 /nfs/dbraw/zinc/94/43/25/483944325.db2.gz AKVUZBZAQZHUKN-HUUCEWRRSA-N 1 3 362.478 -0.096 20 0 FBADHO O=C(C[C@@H]1CNCCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013794 483944288 /nfs/dbraw/zinc/94/42/88/483944288.db2.gz AKVUZBZAQZHUKN-LSDHHAIUSA-N 1 3 362.478 -0.096 20 0 FBADHO COCCNCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014602 483944265 /nfs/dbraw/zinc/94/42/65/483944265.db2.gz MHDYBENYOBDWNM-AWEZNQCLSA-N 1 3 350.467 -0.239 20 0 FBADHO COCCNCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014603 483944018 /nfs/dbraw/zinc/94/40/18/483944018.db2.gz MHDYBENYOBDWNM-CQSZACIVSA-N 1 3 350.467 -0.239 20 0 FBADHO O=C(N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000663016156 483946167 /nfs/dbraw/zinc/94/61/67/483946167.db2.gz ASGRSSWBPNHREZ-DOXZYTNZSA-N 1 3 374.489 -0.239 20 0 FBADHO O=C(N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000663016157 483945982 /nfs/dbraw/zinc/94/59/82/483945982.db2.gz ASGRSSWBPNHREZ-VCBZYWHSSA-N 1 3 374.489 -0.239 20 0 FBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016445 483946661 /nfs/dbraw/zinc/94/66/61/483946661.db2.gz DLROKNZAIWIPTQ-DZKIICNBSA-N 1 3 362.478 -0.111 20 0 FBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016446 483946467 /nfs/dbraw/zinc/94/64/67/483946467.db2.gz DLROKNZAIWIPTQ-FMKPAKJESA-N 1 3 362.478 -0.111 20 0 FBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016448 483945847 /nfs/dbraw/zinc/94/58/47/483945847.db2.gz DLROKNZAIWIPTQ-LZWOXQAQSA-N 1 3 362.478 -0.111 20 0 FBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016449 483945472 /nfs/dbraw/zinc/94/54/72/483945472.db2.gz DLROKNZAIWIPTQ-YCPHGPKFSA-N 1 3 362.478 -0.111 20 0 FBADHO CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016491 483946067 /nfs/dbraw/zinc/94/60/67/483946067.db2.gz BXVJJJAFLCYCEF-KBPBESRZSA-N 1 3 350.467 -0.111 20 0 FBADHO CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016492 483945825 /nfs/dbraw/zinc/94/58/25/483945825.db2.gz BXVJJJAFLCYCEF-KGLIPLIRSA-N 1 3 350.467 -0.111 20 0 FBADHO CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016500 483946086 /nfs/dbraw/zinc/94/60/86/483946086.db2.gz BXVJJJAFLCYCEF-UONOGXRCSA-N 1 3 350.467 -0.111 20 0 FBADHO CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016502 483946325 /nfs/dbraw/zinc/94/63/25/483946325.db2.gz BXVJJJAFLCYCEF-ZIAGYGMSSA-N 1 3 350.467 -0.111 20 0 FBADHO O=C(CCOC1C[NH2+]C1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016560 483945890 /nfs/dbraw/zinc/94/58/90/483945890.db2.gz CLJACSIHOWVFEZ-AWEZNQCLSA-N 1 3 362.478 -0.096 20 0 FBADHO O=C(CCOC1C[NH2+]C1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016562 483946144 /nfs/dbraw/zinc/94/61/44/483946144.db2.gz CLJACSIHOWVFEZ-CQSZACIVSA-N 1 3 362.478 -0.096 20 0 FBADHO CC1(OCC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CNC1 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484023522 /nfs/dbraw/zinc/02/35/22/484023522.db2.gz HENBPQJFUUSUPP-HUUCEWRRSA-N 1 3 350.463 -0.480 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCOC3(CNC3)C2)CC1=O ZINC000664724306 484024238 /nfs/dbraw/zinc/02/42/38/484024238.db2.gz HENBPQJFUUSUPP-LSDHHAIUSA-N 1 3 350.463 -0.480 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCOC3(CNC3)C2)CC1=O ZINC000664724306 484024233 /nfs/dbraw/zinc/02/42/33/484024233.db2.gz HENBPQJFUUSUPP-LSDHHAIUSA-N 1 3 350.463 -0.480 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000664838436 484028897 /nfs/dbraw/zinc/02/88/97/484028897.db2.gz AVXSPDAHEXFYNG-HSBZDZAISA-N 1 3 363.528 -0.362 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000664838436 484028893 /nfs/dbraw/zinc/02/88/93/484028893.db2.gz AVXSPDAHEXFYNG-HSBZDZAISA-N 1 3 363.528 -0.362 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCS(=O)(=O)N(C)C ZINC000664935111 484031555 /nfs/dbraw/zinc/03/15/55/484031555.db2.gz VGOPPPPYVBDBFX-ZDUSSCGKSA-N 1 3 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COCCN(C)CCCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668557209 483826348 /nfs/dbraw/zinc/82/63/48/483826348.db2.gz HTVDTMFYYYXNCV-MRXNPFEDSA-N 1 3 370.494 -0.872 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668557735 483826264 /nfs/dbraw/zinc/82/62/64/483826264.db2.gz MNLMURWPTWTGSQ-INIZCTEOSA-N 1 3 370.494 -0.560 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668557735 483826263 /nfs/dbraw/zinc/82/62/63/483826263.db2.gz MNLMURWPTWTGSQ-INIZCTEOSA-N 1 3 370.494 -0.560 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668557736 483826557 /nfs/dbraw/zinc/82/65/57/483826557.db2.gz MNLMURWPTWTGSQ-MRXNPFEDSA-N 1 3 370.494 -0.560 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668557736 483826554 /nfs/dbraw/zinc/82/65/54/483826554.db2.gz MNLMURWPTWTGSQ-MRXNPFEDSA-N 1 3 370.494 -0.560 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581453 483836829 /nfs/dbraw/zinc/83/68/29/483836829.db2.gz DTZBFCSPSUKMPF-CVEARBPZSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581454 483836511 /nfs/dbraw/zinc/83/65/11/483836511.db2.gz DTZBFCSPSUKMPF-HOTGVXAUSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN1C(C)(C)C)CN1CCN(C)CC1 ZINC000668581454 483836508 /nfs/dbraw/zinc/83/65/08/483836508.db2.gz DTZBFCSPSUKMPF-HOTGVXAUSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581455 483836640 /nfs/dbraw/zinc/83/66/40/483836640.db2.gz DTZBFCSPSUKMPF-HZPDHXFCSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C)CN1CCN(C)CC1 ZINC000668581455 483836639 /nfs/dbraw/zinc/83/66/39/483836639.db2.gz DTZBFCSPSUKMPF-HZPDHXFCSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000668581456 483836341 /nfs/dbraw/zinc/83/63/41/483836341.db2.gz DTZBFCSPSUKMPF-JKSUJKDBSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN1C(C)(C)C)CN1CCN(C)CC1 ZINC000668581456 483836338 /nfs/dbraw/zinc/83/63/38/483836338.db2.gz DTZBFCSPSUKMPF-JKSUJKDBSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000668581606 483836464 /nfs/dbraw/zinc/83/64/64/483836464.db2.gz HSQFMKZZVQYZST-CVEARBPZSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000668581606 483836461 /nfs/dbraw/zinc/83/64/61/483836461.db2.gz HSQFMKZZVQYZST-CVEARBPZSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000668581607 483836586 /nfs/dbraw/zinc/83/65/86/483836586.db2.gz HSQFMKZZVQYZST-HOTGVXAUSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000668581607 483836584 /nfs/dbraw/zinc/83/65/84/483836584.db2.gz HSQFMKZZVQYZST-HOTGVXAUSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000668581608 483836376 /nfs/dbraw/zinc/83/63/76/483836376.db2.gz HSQFMKZZVQYZST-HZPDHXFCSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000668581608 483836374 /nfs/dbraw/zinc/83/63/74/483836374.db2.gz HSQFMKZZVQYZST-HZPDHXFCSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000668581609 483836702 /nfs/dbraw/zinc/83/67/02/483836702.db2.gz HSQFMKZZVQYZST-JKSUJKDBSA-N 1 3 367.538 -0.025 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000668581609 483836699 /nfs/dbraw/zinc/83/66/99/483836699.db2.gz HSQFMKZZVQYZST-JKSUJKDBSA-N 1 3 367.538 -0.025 20 0 FBADHO CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CCN(C)C1 ZINC000668582074 483837080 /nfs/dbraw/zinc/83/70/80/483837080.db2.gz QZTBSKSXGKLSQD-CVEARBPZSA-N 1 3 353.511 -0.461 20 0 FBADHO CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CCN(C)C1 ZINC000668582075 483837266 /nfs/dbraw/zinc/83/72/66/483837266.db2.gz QZTBSKSXGKLSQD-HOTGVXAUSA-N 1 3 353.511 -0.461 20 0 FBADHO CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CCN(C)C1 ZINC000668582076 483837302 /nfs/dbraw/zinc/83/73/02/483837302.db2.gz QZTBSKSXGKLSQD-HZPDHXFCSA-N 1 3 353.511 -0.461 20 0 FBADHO CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CCN(C)C1 ZINC000668582077 483837251 /nfs/dbraw/zinc/83/72/51/483837251.db2.gz QZTBSKSXGKLSQD-JKSUJKDBSA-N 1 3 353.511 -0.461 20 0 FBADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668731723 484023855 /nfs/dbraw/zinc/02/38/55/484023855.db2.gz PUNHKDYPUCSNQT-INIZCTEOSA-N 1 3 354.495 -0.108 20 0 FBADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668731723 484023851 /nfs/dbraw/zinc/02/38/51/484023851.db2.gz PUNHKDYPUCSNQT-INIZCTEOSA-N 1 3 354.495 -0.108 20 0 FBADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668731724 484025274 /nfs/dbraw/zinc/02/52/74/484025274.db2.gz 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CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745178 484074084 /nfs/dbraw/zinc/07/40/84/484074084.db2.gz WSWOASLBNMYENH-HUUCEWRRSA-N 1 3 367.494 -0.710 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000668745178 484074079 /nfs/dbraw/zinc/07/40/79/484074079.db2.gz WSWOASLBNMYENH-HUUCEWRRSA-N 1 3 367.494 -0.710 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745179 484074258 /nfs/dbraw/zinc/07/42/58/484074258.db2.gz WSWOASLBNMYENH-LSDHHAIUSA-N 1 3 367.494 -0.710 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000668745179 484074253 /nfs/dbraw/zinc/07/42/53/484074253.db2.gz WSWOASLBNMYENH-LSDHHAIUSA-N 1 3 367.494 -0.710 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668777586 484160927 /nfs/dbraw/zinc/16/09/27/484160927.db2.gz RAWCZRGVSYWAMT-INIZCTEOSA-N 1 3 352.479 -0.356 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668777586 484160919 /nfs/dbraw/zinc/16/09/19/484160919.db2.gz RAWCZRGVSYWAMT-INIZCTEOSA-N 1 3 352.479 -0.356 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668777587 484161435 /nfs/dbraw/zinc/16/14/35/484161435.db2.gz RAWCZRGVSYWAMT-MRXNPFEDSA-N 1 3 352.479 -0.356 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668777587 484161429 /nfs/dbraw/zinc/16/14/29/484161429.db2.gz RAWCZRGVSYWAMT-MRXNPFEDSA-N 1 3 352.479 -0.356 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N(C)C1CC1 ZINC000668795995 484211854 /nfs/dbraw/zinc/21/18/54/484211854.db2.gz MDCJMLYOHNONDB-BBRMVZONSA-N 1 3 352.479 -0.357 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N(C)C1CC1 ZINC000668795995 484211850 /nfs/dbraw/zinc/21/18/50/484211850.db2.gz MDCJMLYOHNONDB-BBRMVZONSA-N 1 3 352.479 -0.357 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N(C)C1CC1 ZINC000668795996 484212182 /nfs/dbraw/zinc/21/21/82/484212182.db2.gz 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FBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668826692 484298055 /nfs/dbraw/zinc/29/80/55/484298055.db2.gz JEHBGDJKKFPIKP-DOTOQJQBSA-N 1 3 364.490 -0.356 20 0 FBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668826692 484298052 /nfs/dbraw/zinc/29/80/52/484298052.db2.gz JEHBGDJKKFPIKP-DOTOQJQBSA-N 1 3 364.490 -0.356 20 0 FBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668826693 484299064 /nfs/dbraw/zinc/29/90/64/484299064.db2.gz JEHBGDJKKFPIKP-NVXWUHKLSA-N 1 3 364.490 -0.356 20 0 FBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668826693 484299059 /nfs/dbraw/zinc/29/90/59/484299059.db2.gz JEHBGDJKKFPIKP-NVXWUHKLSA-N 1 3 364.490 -0.356 20 0 FBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668826694 484299126 /nfs/dbraw/zinc/29/91/26/484299126.db2.gz JEHBGDJKKFPIKP-RDJZCZTQSA-N 1 3 364.490 -0.356 20 0 FBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668826694 484299121 /nfs/dbraw/zinc/29/91/21/484299121.db2.gz JEHBGDJKKFPIKP-RDJZCZTQSA-N 1 3 364.490 -0.356 20 0 FBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668826695 484299240 /nfs/dbraw/zinc/29/92/40/484299240.db2.gz JEHBGDJKKFPIKP-WBVHZDCISA-N 1 3 364.490 -0.356 20 0 FBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668826695 484299232 /nfs/dbraw/zinc/29/92/32/484299232.db2.gz JEHBGDJKKFPIKP-WBVHZDCISA-N 1 3 364.490 -0.356 20 0 FBADHO CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCN(C)C1 ZINC000668910139 483523161 /nfs/dbraw/zinc/52/31/61/483523161.db2.gz DVRIGYKKUPMKLZ-DOTOQJQBSA-N 1 3 365.522 -0.176 20 0 FBADHO CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCN(C)C1 ZINC000668910140 483521975 /nfs/dbraw/zinc/52/19/75/483521975.db2.gz DVRIGYKKUPMKLZ-NVXWUHKLSA-N 1 3 365.522 -0.176 20 0 FBADHO CCN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCN(C)C1 ZINC000668910141 483522139 /nfs/dbraw/zinc/52/21/39/483522139.db2.gz DVRIGYKKUPMKLZ-RDJZCZTQSA-N 1 3 365.522 -0.176 20 0 FBADHO CCN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCN(C)C1 ZINC000668910142 483522538 /nfs/dbraw/zinc/52/25/38/483522538.db2.gz DVRIGYKKUPMKLZ-WBVHZDCISA-N 1 3 365.522 -0.176 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911264 483527231 /nfs/dbraw/zinc/52/72/31/483527231.db2.gz QQZPNBMIOHQPLS-CVEARBPZSA-N 1 3 365.522 -0.128 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911266 483525577 /nfs/dbraw/zinc/52/55/77/483525577.db2.gz QQZPNBMIOHQPLS-HOTGVXAUSA-N 1 3 365.522 -0.128 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911269 483526599 /nfs/dbraw/zinc/52/65/99/483526599.db2.gz QQZPNBMIOHQPLS-HZPDHXFCSA-N 1 3 365.522 -0.128 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000668911270 483526255 /nfs/dbraw/zinc/52/62/55/483526255.db2.gz QQZPNBMIOHQPLS-JKSUJKDBSA-N 1 3 365.522 -0.128 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1 ZINC000669026437 483752556 /nfs/dbraw/zinc/75/25/56/483752556.db2.gz HCTLNMCULKQTDH-HNNXBMFYSA-N 1 3 352.479 -0.044 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1 ZINC000669026438 483752447 /nfs/dbraw/zinc/75/24/47/483752447.db2.gz HCTLNMCULKQTDH-OAHLLOKOSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000669027550 483752419 /nfs/dbraw/zinc/75/24/19/483752419.db2.gz OPYWZFPCBAGZAE-HNNXBMFYSA-N 1 3 352.479 -0.356 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000669027550 483752418 /nfs/dbraw/zinc/75/24/18/483752418.db2.gz OPYWZFPCBAGZAE-HNNXBMFYSA-N 1 3 352.479 -0.356 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000669027554 483752241 /nfs/dbraw/zinc/75/22/41/483752241.db2.gz OPYWZFPCBAGZAE-OAHLLOKOSA-N 1 3 352.479 -0.356 20 0 FBADHO CN(C)C1(CNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000669027554 483752237 /nfs/dbraw/zinc/75/22/37/483752237.db2.gz OPYWZFPCBAGZAE-OAHLLOKOSA-N 1 3 352.479 -0.356 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000669103474 483818725 /nfs/dbraw/zinc/81/87/25/483818725.db2.gz QXBNAHJVPHSQFZ-INIZCTEOSA-N 1 3 370.494 -0.872 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000669103474 483818723 /nfs/dbraw/zinc/81/87/23/483818723.db2.gz QXBNAHJVPHSQFZ-INIZCTEOSA-N 1 3 370.494 -0.872 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000669103475 483818801 /nfs/dbraw/zinc/81/88/01/483818801.db2.gz QXBNAHJVPHSQFZ-MRXNPFEDSA-N 1 3 370.494 -0.872 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000669103475 483818799 /nfs/dbraw/zinc/81/87/99/483818799.db2.gz QXBNAHJVPHSQFZ-MRXNPFEDSA-N 1 3 370.494 -0.872 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000670473024 485061165 /nfs/dbraw/zinc/06/11/65/485061165.db2.gz WDHLSKPFODVLRU-INIZCTEOSA-N 1 3 353.511 -0.317 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000670473024 485061162 /nfs/dbraw/zinc/06/11/62/485061162.db2.gz WDHLSKPFODVLRU-INIZCTEOSA-N 1 3 353.511 -0.317 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000670473039 485061569 /nfs/dbraw/zinc/06/15/69/485061569.db2.gz WDHLSKPFODVLRU-MRXNPFEDSA-N 1 3 353.511 -0.317 20 0 FBADHO CCN(CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000670473039 485061564 /nfs/dbraw/zinc/06/15/64/485061564.db2.gz WDHLSKPFODVLRU-MRXNPFEDSA-N 1 3 353.511 -0.317 20 0 FBADHO CN1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670545963 483467896 /nfs/dbraw/zinc/46/78/96/483467896.db2.gz FJGZISUTLLOIKQ-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670545963 483467893 /nfs/dbraw/zinc/46/78/93/483467893.db2.gz FJGZISUTLLOIKQ-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670545964 483467011 /nfs/dbraw/zinc/46/70/11/483467011.db2.gz FJGZISUTLLOIKQ-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670545964 483467005 /nfs/dbraw/zinc/46/70/05/483467005.db2.gz FJGZISUTLLOIKQ-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000671034740 484561598 /nfs/dbraw/zinc/56/15/98/484561598.db2.gz VZGFUFYWYKHRFH-INIZCTEOSA-N 1 3 353.511 -0.269 20 0 FBADHO CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000671034741 484561057 /nfs/dbraw/zinc/56/10/57/484561057.db2.gz VZGFUFYWYKHRFH-MRXNPFEDSA-N 1 3 353.511 -0.269 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100366 484243171 /nfs/dbraw/zinc/24/31/71/484243171.db2.gz LGURZGPRHXINTQ-CVEARBPZSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100366 484243166 /nfs/dbraw/zinc/24/31/66/484243166.db2.gz LGURZGPRHXINTQ-CVEARBPZSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671100368 484244102 /nfs/dbraw/zinc/24/41/02/484244102.db2.gz LGURZGPRHXINTQ-HOTGVXAUSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671100368 484244098 /nfs/dbraw/zinc/24/40/98/484244098.db2.gz LGURZGPRHXINTQ-HOTGVXAUSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100370 484244352 /nfs/dbraw/zinc/24/43/52/484244352.db2.gz LGURZGPRHXINTQ-HZPDHXFCSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100370 484244349 /nfs/dbraw/zinc/24/43/49/484244349.db2.gz LGURZGPRHXINTQ-HZPDHXFCSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671100371 484244023 /nfs/dbraw/zinc/24/40/23/484244023.db2.gz LGURZGPRHXINTQ-JKSUJKDBSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671100371 484244015 /nfs/dbraw/zinc/24/40/15/484244015.db2.gz LGURZGPRHXINTQ-JKSUJKDBSA-N 1 3 353.511 -0.319 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000671107060 484250493 /nfs/dbraw/zinc/25/04/93/484250493.db2.gz MDUOIFGAKBJUMJ-CVEARBPZSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000671107060 484250490 /nfs/dbraw/zinc/25/04/90/484250490.db2.gz MDUOIFGAKBJUMJ-CVEARBPZSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000671107061 484250160 /nfs/dbraw/zinc/25/01/60/484250160.db2.gz MDUOIFGAKBJUMJ-HOTGVXAUSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000671107061 484250156 /nfs/dbraw/zinc/25/01/56/484250156.db2.gz MDUOIFGAKBJUMJ-HOTGVXAUSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107062 484250403 /nfs/dbraw/zinc/25/04/03/484250403.db2.gz MDUOIFGAKBJUMJ-HZPDHXFCSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107062 484250400 /nfs/dbraw/zinc/25/04/00/484250400.db2.gz MDUOIFGAKBJUMJ-HZPDHXFCSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107063 484249236 /nfs/dbraw/zinc/24/92/36/484249236.db2.gz MDUOIFGAKBJUMJ-JKSUJKDBSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000671107063 484249232 /nfs/dbraw/zinc/24/92/32/484249232.db2.gz MDUOIFGAKBJUMJ-JKSUJKDBSA-N 1 3 365.522 -0.128 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671134661 484525794 /nfs/dbraw/zinc/52/57/94/484525794.db2.gz HDZVINGGLUCPLC-UHFFFAOYSA-N 1 3 363.462 -0.185 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000671134661 484525786 /nfs/dbraw/zinc/52/57/86/484525786.db2.gz HDZVINGGLUCPLC-UHFFFAOYSA-N 1 3 363.462 -0.185 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000671144691 484550421 /nfs/dbraw/zinc/55/04/21/484550421.db2.gz PNDQZGKORGZXDQ-HNNXBMFYSA-N 1 3 364.494 -0.135 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000671144692 484549643 /nfs/dbraw/zinc/54/96/43/484549643.db2.gz PNDQZGKORGZXDQ-OAHLLOKOSA-N 1 3 364.494 -0.135 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000671172654 484593387 /nfs/dbraw/zinc/59/33/87/484593387.db2.gz HLXUGGPYGCWDPZ-CVEARBPZSA-N 1 3 367.538 -0.167 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000671172655 484594010 /nfs/dbraw/zinc/59/40/10/484594010.db2.gz HLXUGGPYGCWDPZ-HOTGVXAUSA-N 1 3 367.538 -0.167 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000671172656 484592712 /nfs/dbraw/zinc/59/27/12/484592712.db2.gz HLXUGGPYGCWDPZ-HZPDHXFCSA-N 1 3 367.538 -0.167 20 0 FBADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000671172657 484593199 /nfs/dbraw/zinc/59/31/99/484593199.db2.gz HLXUGGPYGCWDPZ-JKSUJKDBSA-N 1 3 367.538 -0.167 20 0 FBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000671172718 484592966 /nfs/dbraw/zinc/59/29/66/484592966.db2.gz YGGBTCKBHQEVCI-DLBZAZTESA-N 1 3 367.538 -0.214 20 0 FBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000671172718 484592961 /nfs/dbraw/zinc/59/29/61/484592961.db2.gz YGGBTCKBHQEVCI-DLBZAZTESA-N 1 3 367.538 -0.214 20 0 FBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000671172719 484593005 /nfs/dbraw/zinc/59/30/05/484593005.db2.gz YGGBTCKBHQEVCI-IAGOWNOFSA-N 1 3 367.538 -0.214 20 0 FBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000671172719 484592996 /nfs/dbraw/zinc/59/29/96/484592996.db2.gz YGGBTCKBHQEVCI-IAGOWNOFSA-N 1 3 367.538 -0.214 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000671172720 484592916 /nfs/dbraw/zinc/59/29/16/484592916.db2.gz YGGBTCKBHQEVCI-IRXDYDNUSA-N 1 3 367.538 -0.214 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000671172720 484592913 /nfs/dbraw/zinc/59/29/13/484592913.db2.gz YGGBTCKBHQEVCI-IRXDYDNUSA-N 1 3 367.538 -0.214 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000671172721 484593877 /nfs/dbraw/zinc/59/38/77/484593877.db2.gz YGGBTCKBHQEVCI-SJORKVTESA-N 1 3 367.538 -0.214 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000671172721 484593873 /nfs/dbraw/zinc/59/38/73/484593873.db2.gz YGGBTCKBHQEVCI-SJORKVTESA-N 1 3 367.538 -0.214 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000671174309 484594891 /nfs/dbraw/zinc/59/48/91/484594891.db2.gz DDXBJGVPGYTURV-CVEARBPZSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000671174311 484595351 /nfs/dbraw/zinc/59/53/51/484595351.db2.gz DDXBJGVPGYTURV-HOTGVXAUSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000671174314 484595582 /nfs/dbraw/zinc/59/55/82/484595582.db2.gz DDXBJGVPGYTURV-HZPDHXFCSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000671174315 484594957 /nfs/dbraw/zinc/59/49/57/484594957.db2.gz DDXBJGVPGYTURV-JKSUJKDBSA-N 1 3 353.511 -0.413 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671182750 484599582 /nfs/dbraw/zinc/59/95/82/484599582.db2.gz SRRKNACHARDTNF-DLBZAZTESA-N 1 3 365.522 -0.127 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671182750 484599576 /nfs/dbraw/zinc/59/95/76/484599576.db2.gz SRRKNACHARDTNF-DLBZAZTESA-N 1 3 365.522 -0.127 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671182751 484599290 /nfs/dbraw/zinc/59/92/90/484599290.db2.gz SRRKNACHARDTNF-IAGOWNOFSA-N 1 3 365.522 -0.127 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671182751 484599287 /nfs/dbraw/zinc/59/92/87/484599287.db2.gz SRRKNACHARDTNF-IAGOWNOFSA-N 1 3 365.522 -0.127 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671182752 484598872 /nfs/dbraw/zinc/59/88/72/484598872.db2.gz SRRKNACHARDTNF-IRXDYDNUSA-N 1 3 365.522 -0.127 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671182752 484598867 /nfs/dbraw/zinc/59/88/67/484598867.db2.gz SRRKNACHARDTNF-IRXDYDNUSA-N 1 3 365.522 -0.127 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671182753 484599179 /nfs/dbraw/zinc/59/91/79/484599179.db2.gz SRRKNACHARDTNF-SJORKVTESA-N 1 3 365.522 -0.127 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671182753 484599176 /nfs/dbraw/zinc/59/91/76/484599176.db2.gz SRRKNACHARDTNF-SJORKVTESA-N 1 3 365.522 -0.127 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000671418585 484891717 /nfs/dbraw/zinc/89/17/17/484891717.db2.gz BEWRMALOFNTKHC-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000671418585 484891710 /nfs/dbraw/zinc/89/17/10/484891710.db2.gz BEWRMALOFNTKHC-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000671418586 484890628 /nfs/dbraw/zinc/89/06/28/484890628.db2.gz BEWRMALOFNTKHC-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000671418586 484890624 /nfs/dbraw/zinc/89/06/24/484890624.db2.gz BEWRMALOFNTKHC-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)C2)CC1 ZINC000671817001 483470454 /nfs/dbraw/zinc/47/04/54/483470454.db2.gz LJXQRFOJFZCKGB-CABCVRRESA-N 1 3 363.506 -0.376 20 0 FBADHO 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ZINC000671820661 484486234 /nfs/dbraw/zinc/48/62/34/484486234.db2.gz ZKGHZKNOBOWIGG-HZPDHXFCSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000671820662 484485757 /nfs/dbraw/zinc/48/57/57/484485757.db2.gz ZKGHZKNOBOWIGG-JKSUJKDBSA-N 1 3 353.511 -0.319 20 0 FBADHO COc1cccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000671918844 484604670 /nfs/dbraw/zinc/60/46/70/484604670.db2.gz GLFSUKVLDFZAGZ-UHFFFAOYSA-N 1 3 351.451 -0.342 20 0 FBADHO CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCCN(C)C3)CC2)CC1 ZINC000671950802 483472966 /nfs/dbraw/zinc/47/29/66/483472966.db2.gz YHTIXKIXAQVGSB-INIZCTEOSA-N 1 3 365.522 -0.128 20 0 FBADHO CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCCN(C)C3)CC2)CC1 ZINC000671950803 483472997 /nfs/dbraw/zinc/47/29/97/483472997.db2.gz YHTIXKIXAQVGSB-MRXNPFEDSA-N 1 3 365.522 -0.128 20 0 FBADHO Cc1nccn1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671962641 483578864 /nfs/dbraw/zinc/57/88/64/483578864.db2.gz ZCURTOWBPFYXPR-HNNXBMFYSA-N 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484611970 /nfs/dbraw/zinc/61/19/70/484611970.db2.gz SXMGBNYPMARIIT-HNNXBMFYSA-N 1 3 355.527 -0.215 20 0 FBADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)C1CC[NH+](C)CC1 ZINC000672011457 484612037 /nfs/dbraw/zinc/61/20/37/484612037.db2.gz SXMGBNYPMARIIT-OAHLLOKOSA-N 1 3 355.527 -0.215 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000672100623 484282204 /nfs/dbraw/zinc/28/22/04/484282204.db2.gz MKQMWGCJCXILSO-KRWDZBQOSA-N 1 3 365.522 -0.175 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000672100623 484282200 /nfs/dbraw/zinc/28/22/00/484282200.db2.gz MKQMWGCJCXILSO-KRWDZBQOSA-N 1 3 365.522 -0.175 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000672100624 484282290 /nfs/dbraw/zinc/28/22/90/484282290.db2.gz MKQMWGCJCXILSO-QGZVFWFLSA-N 1 3 365.522 -0.175 20 0 FBADHO CCN(CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000672100624 484282283 /nfs/dbraw/zinc/28/22/83/484282283.db2.gz MKQMWGCJCXILSO-QGZVFWFLSA-N 1 3 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484743589 /nfs/dbraw/zinc/74/35/89/484743589.db2.gz BAQJBRQUXYZPOK-HNNXBMFYSA-N 1 3 369.510 -0.016 20 0 FBADHO COC1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000674329446 484743584 /nfs/dbraw/zinc/74/35/84/484743584.db2.gz BAQJBRQUXYZPOK-HNNXBMFYSA-N 1 3 369.510 -0.016 20 0 FBADHO COC1CCN(CCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000674329447 484743370 /nfs/dbraw/zinc/74/33/70/484743370.db2.gz BAQJBRQUXYZPOK-OAHLLOKOSA-N 1 3 369.510 -0.016 20 0 FBADHO COC1CCN(CCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000674329447 484743364 /nfs/dbraw/zinc/74/33/64/484743364.db2.gz BAQJBRQUXYZPOK-OAHLLOKOSA-N 1 3 369.510 -0.016 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCSC1 ZINC000676097256 484792042 /nfs/dbraw/zinc/79/20/42/484792042.db2.gz LFCVAOLIYWZSQL-INIZCTEOSA-N 1 3 368.507 -0.063 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCSC1 ZINC000676097407 484791176 /nfs/dbraw/zinc/79/11/76/484791176.db2.gz LFCVAOLIYWZSQL-MRXNPFEDSA-N 1 3 368.507 -0.063 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000677107256 484829312 /nfs/dbraw/zinc/82/93/12/484829312.db2.gz PCDNZMZJEJJFHU-AWEZNQCLSA-N 1 3 363.528 -0.597 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000677107257 483763100 /nfs/dbraw/zinc/76/31/00/483763100.db2.gz PCDNZMZJEJJFHU-CQSZACIVSA-N 1 3 363.528 -0.597 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677879412 484847766 /nfs/dbraw/zinc/84/77/66/484847766.db2.gz QVZLMCJVZXEFKT-CVEARBPZSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677879412 484847760 /nfs/dbraw/zinc/84/77/60/484847760.db2.gz QVZLMCJVZXEFKT-CVEARBPZSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677879413 484846782 /nfs/dbraw/zinc/84/67/82/484846782.db2.gz QVZLMCJVZXEFKT-HOTGVXAUSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677879413 484846779 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FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1nnnn1C ZINC000678564008 484867095 /nfs/dbraw/zinc/86/70/95/484867095.db2.gz KONZVMMAQDKALB-AWEZNQCLSA-N 1 3 352.487 -0.190 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1nnnn1C ZINC000678564014 484867420 /nfs/dbraw/zinc/86/74/20/484867420.db2.gz KONZVMMAQDKALB-CQSZACIVSA-N 1 3 352.487 -0.190 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1nnnn1C ZINC000678564014 484867414 /nfs/dbraw/zinc/86/74/14/484867414.db2.gz KONZVMMAQDKALB-CQSZACIVSA-N 1 3 352.487 -0.190 20 0 FBADHO OCCN1CCCN(c2nccnc2N2CCC[N@@H+](CCO)CC2)CC1 ZINC000680955769 484919144 /nfs/dbraw/zinc/91/91/44/484919144.db2.gz RFOBHRCJKMLHNL-UHFFFAOYSA-N 1 3 364.494 -0.515 20 0 FBADHO OCCN1CCCN(c2nccnc2N2CCC[N@H+](CCO)CC2)CC1 ZINC000680955769 484919140 /nfs/dbraw/zinc/91/91/40/484919140.db2.gz RFOBHRCJKMLHNL-UHFFFAOYSA-N 1 3 364.494 -0.515 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000682222187 484959354 /nfs/dbraw/zinc/95/93/54/484959354.db2.gz ICWKDMCCKBIQNL-UHFFFAOYSA-N 1 3 367.425 -0.185 20 0 FBADHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(OC)n1 ZINC000682222394 484959662 /nfs/dbraw/zinc/95/96/62/484959662.db2.gz SWSMCSYTGYGFSE-UHFFFAOYSA-N 1 3 367.450 -0.011 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000682231370 484959720 /nfs/dbraw/zinc/95/97/20/484959720.db2.gz GHBPSRARWAAPKU-UHFFFAOYSA-N 1 3 362.456 -0.429 20 0 FBADHO COC1(CO)CCN(CCOCC[NH+]2CCC(CO)(OC)CC2)CC1 ZINC000683677175 484988572 /nfs/dbraw/zinc/98/85/72/484988572.db2.gz LEITVKSZRRCXNI-UHFFFAOYSA-N 1 3 360.495 -0.050 20 0 FBADHO C[NH+](C)CCN1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736768950 598521909 /nfs/dbraw/zinc/52/19/09/598521909.db2.gz KIJXTRBYZMZQST-CYBMUJFWSA-N 1 3 374.497 -0.280 20 0 FBADHO C[NH+](C)CCN1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736768950 598521907 /nfs/dbraw/zinc/52/19/07/598521907.db2.gz KIJXTRBYZMZQST-CYBMUJFWSA-N 1 3 374.497 -0.280 20 0 FBADHO C[NH+](C)CCN1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736768951 598521963 /nfs/dbraw/zinc/52/19/63/598521963.db2.gz KIJXTRBYZMZQST-ZDUSSCGKSA-N 1 3 374.497 -0.280 20 0 FBADHO C[NH+](C)CCN1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736768951 598521962 /nfs/dbraw/zinc/52/19/62/598521962.db2.gz KIJXTRBYZMZQST-ZDUSSCGKSA-N 1 3 374.497 -0.280 20 0 FBADHO C[N@H+]1CCCN(CCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736857348 598530681 /nfs/dbraw/zinc/53/06/81/598530681.db2.gz RWFGKLAZPJJWEU-AWEZNQCLSA-N 1 3 374.497 -0.278 20 0 FBADHO C[N@@H+]1CCCN(CCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736857348 598530679 /nfs/dbraw/zinc/53/06/79/598530679.db2.gz RWFGKLAZPJJWEU-AWEZNQCLSA-N 1 3 374.497 -0.278 20 0 FBADHO C[N@H+]1CCCN(CCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736857348 598530678 /nfs/dbraw/zinc/53/06/78/598530678.db2.gz RWFGKLAZPJJWEU-AWEZNQCLSA-N 1 3 374.497 -0.278 20 0 FBADHO C[N@@H+]1CCCN(CCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736857348 598530676 /nfs/dbraw/zinc/53/06/76/598530676.db2.gz RWFGKLAZPJJWEU-AWEZNQCLSA-N 1 3 374.497 -0.278 20 0 FBADHO C[N@H+]1CCCN(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736857350 598530792 /nfs/dbraw/zinc/53/07/92/598530792.db2.gz RWFGKLAZPJJWEU-CQSZACIVSA-N 1 3 374.497 -0.278 20 0 FBADHO C[N@@H+]1CCCN(CCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736857350 598530790 /nfs/dbraw/zinc/53/07/90/598530790.db2.gz RWFGKLAZPJJWEU-CQSZACIVSA-N 1 3 374.497 -0.278 20 0 FBADHO C[N@H+]1CCCN(CCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736857350 598530788 /nfs/dbraw/zinc/53/07/88/598530788.db2.gz RWFGKLAZPJJWEU-CQSZACIVSA-N 1 3 374.497 -0.278 20 0 FBADHO C[N@@H+]1CCCN(CCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736857350 598530786 /nfs/dbraw/zinc/53/07/86/598530786.db2.gz RWFGKLAZPJJWEU-CQSZACIVSA-N 1 3 374.497 -0.278 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000774854634 660804429 /nfs/dbraw/zinc/80/44/29/660804429.db2.gz BLZMPLYHNGIVAN-CVEARBPZSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000774854637 660804472 /nfs/dbraw/zinc/80/44/72/660804472.db2.gz BLZMPLYHNGIVAN-HOTGVXAUSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000774854639 660804422 /nfs/dbraw/zinc/80/44/22/660804422.db2.gz BLZMPLYHNGIVAN-HZPDHXFCSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000774854641 660804341 /nfs/dbraw/zinc/80/43/41/660804341.db2.gz BLZMPLYHNGIVAN-JKSUJKDBSA-N 1 3 352.479 -0.045 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000774864963 660804314 /nfs/dbraw/zinc/80/43/14/660804314.db2.gz JTCZLKVXTGYDAP-CABCVRRESA-N 1 3 352.479 -0.044 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000774864968 660804403 /nfs/dbraw/zinc/80/44/03/660804403.db2.gz JTCZLKVXTGYDAP-GJZGRUSLSA-N 1 3 352.479 -0.044 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000774864973 660804348 /nfs/dbraw/zinc/80/43/48/660804348.db2.gz JTCZLKVXTGYDAP-HUUCEWRRSA-N 1 3 352.479 -0.044 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000774864981 660804438 /nfs/dbraw/zinc/80/44/38/660804438.db2.gz JTCZLKVXTGYDAP-LSDHHAIUSA-N 1 3 352.479 -0.044 20 0 FBADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785518696 660870539 /nfs/dbraw/zinc/87/05/39/660870539.db2.gz WTPFNNXAZKJKPI-CVEARBPZSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785518697 660870470 /nfs/dbraw/zinc/87/04/70/660870470.db2.gz WTPFNNXAZKJKPI-HOTGVXAUSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785518698 660870523 /nfs/dbraw/zinc/87/05/23/660870523.db2.gz WTPFNNXAZKJKPI-HZPDHXFCSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785518699 660870387 /nfs/dbraw/zinc/87/03/87/660870387.db2.gz WTPFNNXAZKJKPI-JKSUJKDBSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086092 660875247 /nfs/dbraw/zinc/87/52/47/660875247.db2.gz MSGGQDNRYPFFGZ-CVEARBPZSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086095 660875307 /nfs/dbraw/zinc/87/53/07/660875307.db2.gz MSGGQDNRYPFFGZ-HOTGVXAUSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086096 660875213 /nfs/dbraw/zinc/87/52/13/660875213.db2.gz MSGGQDNRYPFFGZ-HZPDHXFCSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000786086097 660875316 /nfs/dbraw/zinc/87/53/16/660875316.db2.gz MSGGQDNRYPFFGZ-JKSUJKDBSA-N 1 3 350.463 -0.291 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000787099671 660883176 /nfs/dbraw/zinc/88/31/76/660883176.db2.gz BHBMQXUGKWQYDW-INIZCTEOSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000787099674 660883234 /nfs/dbraw/zinc/88/32/34/660883234.db2.gz BHBMQXUGKWQYDW-MRXNPFEDSA-N 1 3 352.479 -0.044 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000787664759 660886997 /nfs/dbraw/zinc/88/69/97/660886997.db2.gz UTTVBLMIZFRSAO-CVEARBPZSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000787664759 660886995 /nfs/dbraw/zinc/88/69/95/660886995.db2.gz UTTVBLMIZFRSAO-CVEARBPZSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000787664760 660887175 /nfs/dbraw/zinc/88/71/75/660887175.db2.gz UTTVBLMIZFRSAO-HOTGVXAUSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000787664760 660887173 /nfs/dbraw/zinc/88/71/73/660887173.db2.gz UTTVBLMIZFRSAO-HOTGVXAUSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000787664761 660886984 /nfs/dbraw/zinc/88/69/84/660886984.db2.gz UTTVBLMIZFRSAO-HZPDHXFCSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000787664761 660886982 /nfs/dbraw/zinc/88/69/82/660886982.db2.gz UTTVBLMIZFRSAO-HZPDHXFCSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000787664762 660887030 /nfs/dbraw/zinc/88/70/30/660887030.db2.gz UTTVBLMIZFRSAO-JKSUJKDBSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000787664762 660887027 /nfs/dbraw/zinc/88/70/27/660887027.db2.gz UTTVBLMIZFRSAO-JKSUJKDBSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787670936 660887094 /nfs/dbraw/zinc/88/70/94/660887094.db2.gz OMQFJLXCFILQGI-BZUAXINKSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787670936 660887092 /nfs/dbraw/zinc/88/70/92/660887092.db2.gz OMQFJLXCFILQGI-BZUAXINKSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787670937 660887255 /nfs/dbraw/zinc/88/72/55/660887255.db2.gz OMQFJLXCFILQGI-OAGGEKHMSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787670937 660887251 /nfs/dbraw/zinc/88/72/51/660887251.db2.gz OMQFJLXCFILQGI-OAGGEKHMSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787670938 660886959 /nfs/dbraw/zinc/88/69/59/660886959.db2.gz OMQFJLXCFILQGI-OWCLPIDISA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787670938 660886957 /nfs/dbraw/zinc/88/69/57/660886957.db2.gz OMQFJLXCFILQGI-OWCLPIDISA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787670939 660887212 /nfs/dbraw/zinc/88/72/12/660887212.db2.gz OMQFJLXCFILQGI-PMPSAXMXSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787670939 660887211 /nfs/dbraw/zinc/88/72/11/660887211.db2.gz OMQFJLXCFILQGI-PMPSAXMXSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787753626 660887740 /nfs/dbraw/zinc/88/77/40/660887740.db2.gz ZUXUHLSRZGAMND-BZUAXINKSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787753626 660887738 /nfs/dbraw/zinc/88/77/38/660887738.db2.gz ZUXUHLSRZGAMND-BZUAXINKSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787753628 660887771 /nfs/dbraw/zinc/88/77/71/660887771.db2.gz ZUXUHLSRZGAMND-OAGGEKHMSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787753628 660887768 /nfs/dbraw/zinc/88/77/68/660887768.db2.gz ZUXUHLSRZGAMND-OAGGEKHMSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787753630 660887904 /nfs/dbraw/zinc/88/79/04/660887904.db2.gz ZUXUHLSRZGAMND-OWCLPIDISA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787753630 660887902 /nfs/dbraw/zinc/88/79/02/660887902.db2.gz ZUXUHLSRZGAMND-OWCLPIDISA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787753631 660887793 /nfs/dbraw/zinc/88/77/93/660887793.db2.gz ZUXUHLSRZGAMND-PMPSAXMXSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787753631 660887791 /nfs/dbraw/zinc/88/77/91/660887791.db2.gz ZUXUHLSRZGAMND-PMPSAXMXSA-N 1 3 352.479 -0.044 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788571143 660895034 /nfs/dbraw/zinc/89/50/34/660895034.db2.gz JRGOGFOCDNZWIZ-CAOSSQGBSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788571143 660895032 /nfs/dbraw/zinc/89/50/32/660895032.db2.gz JRGOGFOCDNZWIZ-CAOSSQGBSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788571145 660894871 /nfs/dbraw/zinc/89/48/71/660894871.db2.gz JRGOGFOCDNZWIZ-KLHDSHLOSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788571145 660894859 /nfs/dbraw/zinc/89/48/59/660894859.db2.gz JRGOGFOCDNZWIZ-KLHDSHLOSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788571147 660894902 /nfs/dbraw/zinc/89/49/02/660894902.db2.gz JRGOGFOCDNZWIZ-QKPAOTATSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788571147 660894898 /nfs/dbraw/zinc/89/48/98/660894898.db2.gz JRGOGFOCDNZWIZ-QKPAOTATSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788571149 660895055 /nfs/dbraw/zinc/89/50/55/660895055.db2.gz JRGOGFOCDNZWIZ-ZJIFWQFVSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788571149 660895052 /nfs/dbraw/zinc/89/50/52/660895052.db2.gz JRGOGFOCDNZWIZ-ZJIFWQFVSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788799132 660896198 /nfs/dbraw/zinc/89/61/98/660896198.db2.gz RPVBCWUVBMNQJA-BPUTZDHNSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788799132 660896195 /nfs/dbraw/zinc/89/61/95/660896195.db2.gz RPVBCWUVBMNQJA-BPUTZDHNSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788799134 660896319 /nfs/dbraw/zinc/89/63/19/660896319.db2.gz RPVBCWUVBMNQJA-CWRNSKLLSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788799134 660896316 /nfs/dbraw/zinc/89/63/16/660896316.db2.gz RPVBCWUVBMNQJA-CWRNSKLLSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788799136 660896249 /nfs/dbraw/zinc/89/62/49/660896249.db2.gz RPVBCWUVBMNQJA-IMJJTQAJSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788799136 660896247 /nfs/dbraw/zinc/89/62/47/660896247.db2.gz RPVBCWUVBMNQJA-IMJJTQAJSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788799138 660896217 /nfs/dbraw/zinc/89/62/17/660896217.db2.gz RPVBCWUVBMNQJA-NUEKZKHPSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788799138 660896213 /nfs/dbraw/zinc/89/62/13/660896213.db2.gz RPVBCWUVBMNQJA-NUEKZKHPSA-N 1 3 350.463 -0.434 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788922184 660896992 /nfs/dbraw/zinc/89/69/92/660896992.db2.gz WLLSACFOWBCPAW-CABCVRRESA-N 1 3 356.467 -0.950 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788922184 660896990 /nfs/dbraw/zinc/89/69/90/660896990.db2.gz WLLSACFOWBCPAW-CABCVRRESA-N 1 3 356.467 -0.950 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788922190 660896960 /nfs/dbraw/zinc/89/69/60/660896960.db2.gz WLLSACFOWBCPAW-GJZGRUSLSA-N 1 3 356.467 -0.950 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788922190 660896958 /nfs/dbraw/zinc/89/69/58/660896958.db2.gz WLLSACFOWBCPAW-GJZGRUSLSA-N 1 3 356.467 -0.950 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788922191 660896879 /nfs/dbraw/zinc/89/68/79/660896879.db2.gz WLLSACFOWBCPAW-HUUCEWRRSA-N 1 3 356.467 -0.950 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788922191 660896876 /nfs/dbraw/zinc/89/68/76/660896876.db2.gz WLLSACFOWBCPAW-HUUCEWRRSA-N 1 3 356.467 -0.950 20 0 FBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788922192 660896847 /nfs/dbraw/zinc/89/68/47/660896847.db2.gz WLLSACFOWBCPAW-LSDHHAIUSA-N 1 3 356.467 -0.950 20 0 FBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788922192 660896846 /nfs/dbraw/zinc/89/68/46/660896846.db2.gz WLLSACFOWBCPAW-LSDHHAIUSA-N 1 3 356.467 -0.950 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790184770 660904214 /nfs/dbraw/zinc/90/42/14/660904214.db2.gz ARPAFDGDHRTQSW-BZUAXINKSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790184772 660904171 /nfs/dbraw/zinc/90/41/71/660904171.db2.gz ARPAFDGDHRTQSW-OAGGEKHMSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790184774 660904272 /nfs/dbraw/zinc/90/42/72/660904272.db2.gz ARPAFDGDHRTQSW-OWCLPIDISA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790184775 660904164 /nfs/dbraw/zinc/90/41/64/660904164.db2.gz ARPAFDGDHRTQSW-PMPSAXMXSA-N 1 3 352.479 -0.186 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790274677 660904685 /nfs/dbraw/zinc/90/46/85/660904685.db2.gz UGBNOGBMTLJSFR-FPCVCCKLSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790274677 660904684 /nfs/dbraw/zinc/90/46/84/660904684.db2.gz UGBNOGBMTLJSFR-FPCVCCKLSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790274679 660904710 /nfs/dbraw/zinc/90/47/10/660904710.db2.gz UGBNOGBMTLJSFR-KLHDSHLOSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000790274679 660904708 /nfs/dbraw/zinc/90/47/08/660904708.db2.gz UGBNOGBMTLJSFR-KLHDSHLOSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000790274681 660904760 /nfs/dbraw/zinc/90/47/60/660904760.db2.gz UGBNOGBMTLJSFR-LVQVYYBASA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000790274681 660904759 /nfs/dbraw/zinc/90/47/59/660904759.db2.gz UGBNOGBMTLJSFR-LVQVYYBASA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790274683 660904742 /nfs/dbraw/zinc/90/47/42/660904742.db2.gz UGBNOGBMTLJSFR-WCVJEAGWSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000790274683 660904740 /nfs/dbraw/zinc/90/47/40/660904740.db2.gz UGBNOGBMTLJSFR-WCVJEAGWSA-N 1 3 350.463 -0.291 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC000793715699 660922963 /nfs/dbraw/zinc/92/29/63/660922963.db2.gz WQUBHXTVGZWGII-BZUAXINKSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC000793715699 660922962 /nfs/dbraw/zinc/92/29/62/660922962.db2.gz WQUBHXTVGZWGII-BZUAXINKSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC000793715700 660923030 /nfs/dbraw/zinc/92/30/30/660923030.db2.gz WQUBHXTVGZWGII-OAGGEKHMSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC000793715700 660923026 /nfs/dbraw/zinc/92/30/26/660923026.db2.gz WQUBHXTVGZWGII-OAGGEKHMSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC000793715701 660923114 /nfs/dbraw/zinc/92/31/14/660923114.db2.gz WQUBHXTVGZWGII-OWCLPIDISA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC000793715701 660923112 /nfs/dbraw/zinc/92/31/12/660923112.db2.gz WQUBHXTVGZWGII-OWCLPIDISA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC000793715702 660923066 /nfs/dbraw/zinc/92/30/66/660923066.db2.gz WQUBHXTVGZWGII-PMPSAXMXSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC000793715702 660923064 /nfs/dbraw/zinc/92/30/64/660923064.db2.gz WQUBHXTVGZWGII-PMPSAXMXSA-N 1 3 352.479 -0.044 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000793814071 660923561 /nfs/dbraw/zinc/92/35/61/660923561.db2.gz LZWVWQQOFHIQKY-CVEARBPZSA-N 1 3 352.479 -0.186 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000793814073 660923720 /nfs/dbraw/zinc/92/37/20/660923720.db2.gz LZWVWQQOFHIQKY-HOTGVXAUSA-N 1 3 352.479 -0.186 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000793814077 660923672 /nfs/dbraw/zinc/92/36/72/660923672.db2.gz LZWVWQQOFHIQKY-HZPDHXFCSA-N 1 3 352.479 -0.186 20 0 FBADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000793814175 660923619 /nfs/dbraw/zinc/92/36/19/660923619.db2.gz LZWVWQQOFHIQKY-JKSUJKDBSA-N 1 3 352.479 -0.186 20 0 FBADHO COC(=O)[C@H]1[C@@H]2CN(CCOCC[N@@H+]3C[C@H]4[C@H](C(=O)OC)[C@H]4C3)C[C@@H]21 ZINC000794966350 660936480 /nfs/dbraw/zinc/93/64/80/660936480.db2.gz FNBUFLUHGOZUGC-FRMPLNAESA-N 1 3 352.431 -0.295 20 0 FBADHO COC(=O)[C@H]1[C@@H]2CN(CCOCC[N@H+]3C[C@H]4[C@H](C(=O)OC)[C@H]4C3)C[C@@H]21 ZINC000794966350 660936477 /nfs/dbraw/zinc/93/64/77/660936477.db2.gz FNBUFLUHGOZUGC-FRMPLNAESA-N 1 3 352.431 -0.295 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804048954 660966645 /nfs/dbraw/zinc/96/66/45/660966645.db2.gz AQCZWEZSMPQCOM-BZUAXINKSA-N 1 3 352.479 -0.092 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804048961 660966614 /nfs/dbraw/zinc/96/66/14/660966614.db2.gz AQCZWEZSMPQCOM-OAGGEKHMSA-N 1 3 352.479 -0.092 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804048963 660966541 /nfs/dbraw/zinc/96/65/41/660966541.db2.gz AQCZWEZSMPQCOM-OWCLPIDISA-N 1 3 352.479 -0.092 20 0 FBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804048965 660966610 /nfs/dbraw/zinc/96/66/10/660966610.db2.gz AQCZWEZSMPQCOM-PMPSAXMXSA-N 1 3 352.479 -0.092 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804052528 660967162 /nfs/dbraw/zinc/96/71/62/660967162.db2.gz FPIXJOWSBKKMGL-BZUAXINKSA-N 1 3 352.479 -0.186 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804052528 660967160 /nfs/dbraw/zinc/96/71/60/660967160.db2.gz FPIXJOWSBKKMGL-BZUAXINKSA-N 1 3 352.479 -0.186 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804052529 660967292 /nfs/dbraw/zinc/96/72/92/660967292.db2.gz FPIXJOWSBKKMGL-OAGGEKHMSA-N 1 3 352.479 -0.186 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804052529 660967291 /nfs/dbraw/zinc/96/72/91/660967291.db2.gz FPIXJOWSBKKMGL-OAGGEKHMSA-N 1 3 352.479 -0.186 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804052530 660967329 /nfs/dbraw/zinc/96/73/29/660967329.db2.gz FPIXJOWSBKKMGL-OWCLPIDISA-N 1 3 352.479 -0.186 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804052530 660967327 /nfs/dbraw/zinc/96/73/27/660967327.db2.gz FPIXJOWSBKKMGL-OWCLPIDISA-N 1 3 352.479 -0.186 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804052532 660967238 /nfs/dbraw/zinc/96/72/38/660967238.db2.gz FPIXJOWSBKKMGL-PMPSAXMXSA-N 1 3 352.479 -0.186 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804052532 660967236 /nfs/dbraw/zinc/96/72/36/660967236.db2.gz FPIXJOWSBKKMGL-PMPSAXMXSA-N 1 3 352.479 -0.186 20 0 FBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804052971 660967259 /nfs/dbraw/zinc/96/72/59/660967259.db2.gz GNYHLZQCUABMFK-CABCVRRESA-N 1 3 356.467 -0.950 20 0 FBADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804052971 660967257 /nfs/dbraw/zinc/96/72/57/660967257.db2.gz GNYHLZQCUABMFK-CABCVRRESA-N 1 3 356.467 -0.950 20 0 FBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804052972 660967149 /nfs/dbraw/zinc/96/71/49/660967149.db2.gz GNYHLZQCUABMFK-GJZGRUSLSA-N 1 3 356.467 -0.950 20 0 FBADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804052972 660967148 /nfs/dbraw/zinc/96/71/48/660967148.db2.gz GNYHLZQCUABMFK-GJZGRUSLSA-N 1 3 356.467 -0.950 20 0 FBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804052973 660967280 /nfs/dbraw/zinc/96/72/80/660967280.db2.gz GNYHLZQCUABMFK-HUUCEWRRSA-N 1 3 356.467 -0.950 20 0 FBADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804052973 660967278 /nfs/dbraw/zinc/96/72/78/660967278.db2.gz GNYHLZQCUABMFK-HUUCEWRRSA-N 1 3 356.467 -0.950 20 0 FBADHO COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804052974 660967382 /nfs/dbraw/zinc/96/73/82/660967382.db2.gz GNYHLZQCUABMFK-LSDHHAIUSA-N 1 3 356.467 -0.950 20 0 FBADHO COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804052974 660967381 /nfs/dbraw/zinc/96/73/81/660967381.db2.gz GNYHLZQCUABMFK-LSDHHAIUSA-N 1 3 356.467 -0.950 20 0 FBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804055148 660967714 /nfs/dbraw/zinc/96/77/14/660967714.db2.gz YLXNRNYRFYKWAO-ARFHVFGLSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804055148 660967713 /nfs/dbraw/zinc/96/77/13/660967713.db2.gz YLXNRNYRFYKWAO-ARFHVFGLSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804055149 660967564 /nfs/dbraw/zinc/96/75/64/660967564.db2.gz YLXNRNYRFYKWAO-HRCADAONSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804055149 660967562 /nfs/dbraw/zinc/96/75/62/660967562.db2.gz YLXNRNYRFYKWAO-HRCADAONSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804055150 660967507 /nfs/dbraw/zinc/96/75/07/660967507.db2.gz YLXNRNYRFYKWAO-JYJNAYRXSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804055150 660967505 /nfs/dbraw/zinc/96/75/05/660967505.db2.gz YLXNRNYRFYKWAO-JYJNAYRXSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804055151 660967738 /nfs/dbraw/zinc/96/77/38/660967738.db2.gz YLXNRNYRFYKWAO-XHSDSOJGSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804055151 660967737 /nfs/dbraw/zinc/96/77/37/660967737.db2.gz YLXNRNYRFYKWAO-XHSDSOJGSA-N 1 3 352.479 -0.234 20 0 FBADHO C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056685 660968052 /nfs/dbraw/zinc/96/80/52/660968052.db2.gz LEILUTMIARIKBJ-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056685 660968048 /nfs/dbraw/zinc/96/80/48/660968048.db2.gz LEILUTMIARIKBJ-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000804056686 660968164 /nfs/dbraw/zinc/96/81/64/660968164.db2.gz LEILUTMIARIKBJ-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000804056686 660968163 /nfs/dbraw/zinc/96/81/63/660968163.db2.gz LEILUTMIARIKBJ-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056687 660967976 /nfs/dbraw/zinc/96/79/76/660967976.db2.gz LEILUTMIARIKBJ-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000804056687 660967974 /nfs/dbraw/zinc/96/79/74/660967974.db2.gz LEILUTMIARIKBJ-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000804056688 660968088 /nfs/dbraw/zinc/96/80/88/660968088.db2.gz LEILUTMIARIKBJ-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000804056688 660968086 /nfs/dbraw/zinc/96/80/86/660968086.db2.gz LEILUTMIARIKBJ-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056737 660968125 /nfs/dbraw/zinc/96/81/25/660968125.db2.gz LOXLNPVBSNLABG-BZUAXINKSA-N 1 3 352.479 -0.044 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056737 660968123 /nfs/dbraw/zinc/96/81/23/660968123.db2.gz LOXLNPVBSNLABG-BZUAXINKSA-N 1 3 352.479 -0.044 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804056738 660967991 /nfs/dbraw/zinc/96/79/91/660967991.db2.gz LOXLNPVBSNLABG-OAGGEKHMSA-N 1 3 352.479 -0.044 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804056738 660967989 /nfs/dbraw/zinc/96/79/89/660967989.db2.gz LOXLNPVBSNLABG-OAGGEKHMSA-N 1 3 352.479 -0.044 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056739 660968136 /nfs/dbraw/zinc/96/81/36/660968136.db2.gz LOXLNPVBSNLABG-OWCLPIDISA-N 1 3 352.479 -0.044 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056739 660968133 /nfs/dbraw/zinc/96/81/33/660968133.db2.gz LOXLNPVBSNLABG-OWCLPIDISA-N 1 3 352.479 -0.044 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804056740 660968114 /nfs/dbraw/zinc/96/81/14/660968114.db2.gz LOXLNPVBSNLABG-PMPSAXMXSA-N 1 3 352.479 -0.044 20 0 FBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804056740 660968111 /nfs/dbraw/zinc/96/81/11/660968111.db2.gz LOXLNPVBSNLABG-PMPSAXMXSA-N 1 3 352.479 -0.044 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804057892 660968586 /nfs/dbraw/zinc/96/85/86/660968586.db2.gz CEVUQHJWIMUVEB-ARFHVFGLSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804057892 660968582 /nfs/dbraw/zinc/96/85/82/660968582.db2.gz CEVUQHJWIMUVEB-ARFHVFGLSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804057894 660968392 /nfs/dbraw/zinc/96/83/92/660968392.db2.gz CEVUQHJWIMUVEB-HRCADAONSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000804057894 660968390 /nfs/dbraw/zinc/96/83/90/660968390.db2.gz CEVUQHJWIMUVEB-HRCADAONSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804057895 660968662 /nfs/dbraw/zinc/96/86/62/660968662.db2.gz CEVUQHJWIMUVEB-JYJNAYRXSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000804057895 660968660 /nfs/dbraw/zinc/96/86/60/660968660.db2.gz CEVUQHJWIMUVEB-JYJNAYRXSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804057897 660968331 /nfs/dbraw/zinc/96/83/31/660968331.db2.gz CEVUQHJWIMUVEB-XHSDSOJGSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000804057897 660968330 /nfs/dbraw/zinc/96/83/30/660968330.db2.gz CEVUQHJWIMUVEB-XHSDSOJGSA-N 1 3 352.479 -0.234 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000804058043 660968354 /nfs/dbraw/zinc/96/83/54/660968354.db2.gz YZANFWLHTHEFLD-ARFHVFGLSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000804058043 660968353 /nfs/dbraw/zinc/96/83/53/660968353.db2.gz YZANFWLHTHEFLD-ARFHVFGLSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000804058044 660968348 /nfs/dbraw/zinc/96/83/48/660968348.db2.gz YZANFWLHTHEFLD-BZUAXINKSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000804058044 660968346 /nfs/dbraw/zinc/96/83/46/660968346.db2.gz YZANFWLHTHEFLD-BZUAXINKSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000804058045 660968540 /nfs/dbraw/zinc/96/85/40/660968540.db2.gz YZANFWLHTHEFLD-HRCADAONSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000804058045 660968539 /nfs/dbraw/zinc/96/85/39/660968539.db2.gz YZANFWLHTHEFLD-HRCADAONSA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000804058046 660968647 /nfs/dbraw/zinc/96/86/47/660968647.db2.gz YZANFWLHTHEFLD-OWCLPIDISA-N 1 3 350.463 -0.434 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000804058046 660968644 /nfs/dbraw/zinc/96/86/44/660968644.db2.gz YZANFWLHTHEFLD-OWCLPIDISA-N 1 3 350.463 -0.434 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CN1C1CC1 ZINC000804058100 660968485 /nfs/dbraw/zinc/96/84/85/660968485.db2.gz CPMDCDYWWLNIOB-BFJAYTPKSA-N 1 3 350.463 -0.293 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CN1C1CC1 ZINC000804058100 660968484 /nfs/dbraw/zinc/96/84/84/660968484.db2.gz CPMDCDYWWLNIOB-BFJAYTPKSA-N 1 3 350.463 -0.293 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CN1C1CC1 ZINC000804058103 660968618 /nfs/dbraw/zinc/96/86/18/660968618.db2.gz CPMDCDYWWLNIOB-CLWVCHIJSA-N 1 3 350.463 -0.293 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CN1C1CC1 ZINC000804058103 660968615 /nfs/dbraw/zinc/96/86/15/660968615.db2.gz CPMDCDYWWLNIOB-CLWVCHIJSA-N 1 3 350.463 -0.293 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CN1C1CC1 ZINC000804058105 660968418 /nfs/dbraw/zinc/96/84/18/660968418.db2.gz CPMDCDYWWLNIOB-OCVGTWLNSA-N 1 3 350.463 -0.293 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CN1C1CC1 ZINC000804058105 660968416 /nfs/dbraw/zinc/96/84/16/660968416.db2.gz CPMDCDYWWLNIOB-OCVGTWLNSA-N 1 3 350.463 -0.293 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CN1C1CC1 ZINC000804058107 660968511 /nfs/dbraw/zinc/96/85/11/660968511.db2.gz CPMDCDYWWLNIOB-VRKREXBASA-N 1 3 350.463 -0.293 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CN1C1CC1 ZINC000804058107 660968508 /nfs/dbraw/zinc/96/85/08/660968508.db2.gz CPMDCDYWWLNIOB-VRKREXBASA-N 1 3 350.463 -0.293 20 0 FBADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804059023 660968399 /nfs/dbraw/zinc/96/83/99/660968399.db2.gz XOZJRJUCCOTZOW-CVEARBPZSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804059025 660968625 /nfs/dbraw/zinc/96/86/25/660968625.db2.gz XOZJRJUCCOTZOW-HOTGVXAUSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804059027 660968360 /nfs/dbraw/zinc/96/83/60/660968360.db2.gz XOZJRJUCCOTZOW-HZPDHXFCSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804059029 660968404 /nfs/dbraw/zinc/96/84/04/660968404.db2.gz XOZJRJUCCOTZOW-JKSUJKDBSA-N 1 3 352.479 -0.234 20 0 FBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 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352.479 -0.236 20 0 FBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804059946 660969363 /nfs/dbraw/zinc/96/93/63/660969363.db2.gz OQOCZURLYHRYDO-UGUYLWEFSA-N 1 3 352.479 -0.236 20 0 FBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804059946 660969362 /nfs/dbraw/zinc/96/93/62/660969362.db2.gz OQOCZURLYHRYDO-UGUYLWEFSA-N 1 3 352.479 -0.236 20 0 FBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804059949 660969240 /nfs/dbraw/zinc/96/92/40/660969240.db2.gz OQOCZURLYHRYDO-WCVJEAGWSA-N 1 3 352.479 -0.236 20 0 FBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804059949 660969237 /nfs/dbraw/zinc/96/92/37/660969237.db2.gz OQOCZURLYHRYDO-WCVJEAGWSA-N 1 3 352.479 -0.236 20 0 FBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000804060191 660969220 /nfs/dbraw/zinc/96/92/20/660969220.db2.gz MYXFDFWLDBURAY-FPCVCCKLSA-N 1 3 352.479 -0.093 20 0 FBADHO 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ZINC000804061095 660969955 /nfs/dbraw/zinc/96/99/55/660969955.db2.gz WDEKQANTHUIYIK-HOTGVXAUSA-N 1 3 352.479 -0.092 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061095 660969952 /nfs/dbraw/zinc/96/99/52/660969952.db2.gz WDEKQANTHUIYIK-HOTGVXAUSA-N 1 3 352.479 -0.092 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061096 660969895 /nfs/dbraw/zinc/96/98/95/660969895.db2.gz WDEKQANTHUIYIK-HZPDHXFCSA-N 1 3 352.479 -0.092 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061096 660969893 /nfs/dbraw/zinc/96/98/93/660969893.db2.gz WDEKQANTHUIYIK-HZPDHXFCSA-N 1 3 352.479 -0.092 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804061097 660969802 /nfs/dbraw/zinc/96/98/02/660969802.db2.gz WDEKQANTHUIYIK-JKSUJKDBSA-N 1 3 352.479 -0.092 20 0 FBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061097 660969801 /nfs/dbraw/zinc/96/98/01/660969801.db2.gz WDEKQANTHUIYIK-JKSUJKDBSA-N 1 3 352.479 -0.092 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061326 660969769 /nfs/dbraw/zinc/96/97/69/660969769.db2.gz XPWVRTUJMDMWSO-CABCVRRESA-N 1 3 356.467 -0.998 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061326 660969765 /nfs/dbraw/zinc/96/97/65/660969765.db2.gz XPWVRTUJMDMWSO-CABCVRRESA-N 1 3 356.467 -0.998 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061327 660969913 /nfs/dbraw/zinc/96/99/13/660969913.db2.gz XPWVRTUJMDMWSO-GJZGRUSLSA-N 1 3 356.467 -0.998 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061327 660969912 /nfs/dbraw/zinc/96/99/12/660969912.db2.gz XPWVRTUJMDMWSO-GJZGRUSLSA-N 1 3 356.467 -0.998 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804061328 660969826 /nfs/dbraw/zinc/96/98/26/660969826.db2.gz XPWVRTUJMDMWSO-HUUCEWRRSA-N 1 3 356.467 -0.998 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804061328 660969824 /nfs/dbraw/zinc/96/98/24/660969824.db2.gz XPWVRTUJMDMWSO-HUUCEWRRSA-N 1 3 356.467 -0.998 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804061329 660970012 /nfs/dbraw/zinc/97/00/12/660970012.db2.gz XPWVRTUJMDMWSO-LSDHHAIUSA-N 1 3 356.467 -0.998 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804061329 660970011 /nfs/dbraw/zinc/97/00/11/660970011.db2.gz XPWVRTUJMDMWSO-LSDHHAIUSA-N 1 3 356.467 -0.998 20 0 FBADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804061980 660969716 /nfs/dbraw/zinc/96/97/16/660969716.db2.gz BWQJJCOPESBXRQ-CABCVRRESA-N 1 3 352.479 -0.092 20 0 FBADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804061981 660969942 /nfs/dbraw/zinc/96/99/42/660969942.db2.gz BWQJJCOPESBXRQ-GJZGRUSLSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804061982 660970016 /nfs/dbraw/zinc/97/00/16/660970016.db2.gz BWQJJCOPESBXRQ-HUUCEWRRSA-N 1 3 352.479 -0.092 20 0 FBADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804061983 660969808 /nfs/dbraw/zinc/96/98/08/660969808.db2.gz BWQJJCOPESBXRQ-LSDHHAIUSA-N 1 3 352.479 -0.092 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804062220 660970332 /nfs/dbraw/zinc/97/03/32/660970332.db2.gz DIZHGEMODBALKR-CVEARBPZSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804062221 660970268 /nfs/dbraw/zinc/97/02/68/660970268.db2.gz DIZHGEMODBALKR-HOTGVXAUSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804062222 660970206 /nfs/dbraw/zinc/97/02/06/660970206.db2.gz DIZHGEMODBALKR-HZPDHXFCSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804062223 660970308 /nfs/dbraw/zinc/97/03/08/660970308.db2.gz DIZHGEMODBALKR-JKSUJKDBSA-N 1 3 352.479 -0.045 20 0 FBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804064991 660970349 /nfs/dbraw/zinc/97/03/49/660970349.db2.gz ZFEUDIMAYKVWLO-CVEARBPZSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804064992 660970312 /nfs/dbraw/zinc/97/03/12/660970312.db2.gz ZFEUDIMAYKVWLO-HOTGVXAUSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804064994 660970212 /nfs/dbraw/zinc/97/02/12/660970212.db2.gz ZFEUDIMAYKVWLO-HZPDHXFCSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804064997 660970256 /nfs/dbraw/zinc/97/02/56/660970256.db2.gz ZFEUDIMAYKVWLO-JKSUJKDBSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000806475831 660976132 /nfs/dbraw/zinc/97/61/32/660976132.db2.gz XSLVDZMCQWDOLK-CYBMUJFWSA-N 1 3 362.565 -0.097 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000806475832 660976198 /nfs/dbraw/zinc/97/61/98/660976198.db2.gz XSLVDZMCQWDOLK-ZDUSSCGKSA-N 1 3 362.565 -0.097 20 0 FBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnnn1C ZINC000810395804 661001286 /nfs/dbraw/zinc/00/12/86/661001286.db2.gz NMLIRFYVDWQPNP-CYBMUJFWSA-N 1 3 351.455 -0.372 20 0 FBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnnn1C ZINC000810395804 661001282 /nfs/dbraw/zinc/00/12/82/661001282.db2.gz NMLIRFYVDWQPNP-CYBMUJFWSA-N 1 3 351.455 -0.372 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnnn1C ZINC000810395808 661001388 /nfs/dbraw/zinc/00/13/88/661001388.db2.gz NMLIRFYVDWQPNP-ZDUSSCGKSA-N 1 3 351.455 -0.372 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cnnn1C ZINC000810395808 661001385 /nfs/dbraw/zinc/00/13/85/661001385.db2.gz NMLIRFYVDWQPNP-ZDUSSCGKSA-N 1 3 351.455 -0.372 20 0 FBADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000817815692 661045850 /nfs/dbraw/zinc/04/58/50/661045850.db2.gz XTKGPWRLSZRHGY-ARFHVFGLSA-N 1 3 352.479 -0.093 20 0 FBADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000817815692 661045847 /nfs/dbraw/zinc/04/58/47/661045847.db2.gz XTKGPWRLSZRHGY-ARFHVFGLSA-N 1 3 352.479 -0.093 20 0 FBADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000817815696 661045825 /nfs/dbraw/zinc/04/58/25/661045825.db2.gz XTKGPWRLSZRHGY-HRCADAONSA-N 1 3 352.479 -0.093 20 0 FBADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000817815696 661045822 /nfs/dbraw/zinc/04/58/22/661045822.db2.gz XTKGPWRLSZRHGY-HRCADAONSA-N 1 3 352.479 -0.093 20 0 FBADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000817815699 661045986 /nfs/dbraw/zinc/04/59/86/661045986.db2.gz XTKGPWRLSZRHGY-JYJNAYRXSA-N 1 3 352.479 -0.093 20 0 FBADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000817815699 661045982 /nfs/dbraw/zinc/04/59/82/661045982.db2.gz XTKGPWRLSZRHGY-JYJNAYRXSA-N 1 3 352.479 -0.093 20 0 FBADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000817815702 661045810 /nfs/dbraw/zinc/04/58/10/661045810.db2.gz XTKGPWRLSZRHGY-XHSDSOJGSA-N 1 3 352.479 -0.093 20 0 FBADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000817815702 661045807 /nfs/dbraw/zinc/04/58/07/661045807.db2.gz XTKGPWRLSZRHGY-XHSDSOJGSA-N 1 3 352.479 -0.093 20 0 FBADHO C[NH+](C)C1CCN(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821583492 606427791 /nfs/dbraw/zinc/42/77/91/606427791.db2.gz XPURSOGDKBIUKB-CYBMUJFWSA-N 1 3 374.497 -0.280 20 0 FBADHO C[NH+](C)C1CCN(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821583492 606427790 /nfs/dbraw/zinc/42/77/90/606427790.db2.gz XPURSOGDKBIUKB-CYBMUJFWSA-N 1 3 374.497 -0.280 20 0 FBADHO C[NH+](C)C1CCN(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000821583493 606427797 /nfs/dbraw/zinc/42/77/97/606427797.db2.gz XPURSOGDKBIUKB-ZDUSSCGKSA-N 1 3 374.497 -0.280 20 0 FBADHO C[NH+](C)C1CCN(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000821583493 606427796 /nfs/dbraw/zinc/42/77/96/606427796.db2.gz XPURSOGDKBIUKB-ZDUSSCGKSA-N 1 3 374.497 -0.280 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000825925147 661106842 /nfs/dbraw/zinc/10/68/42/661106842.db2.gz KOUXZPNATSJEHT-ILXRZTDVSA-N 1 3 353.467 -0.389 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000825925147 661106841 /nfs/dbraw/zinc/10/68/41/661106841.db2.gz KOUXZPNATSJEHT-ILXRZTDVSA-N 1 3 353.467 -0.389 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000825925148 661107076 /nfs/dbraw/zinc/10/70/76/661107076.db2.gz KOUXZPNATSJEHT-KFWWJZLASA-N 1 3 353.467 -0.389 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000825925148 661107075 /nfs/dbraw/zinc/10/70/75/661107075.db2.gz KOUXZPNATSJEHT-KFWWJZLASA-N 1 3 353.467 -0.389 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000825925149 661106959 /nfs/dbraw/zinc/10/69/59/661106959.db2.gz KOUXZPNATSJEHT-QLFBSQMISA-N 1 3 353.467 -0.389 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000825925149 661106955 /nfs/dbraw/zinc/10/69/55/661106955.db2.gz KOUXZPNATSJEHT-QLFBSQMISA-N 1 3 353.467 -0.389 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000825925150 661107013 /nfs/dbraw/zinc/10/70/13/661107013.db2.gz KOUXZPNATSJEHT-RBSFLKMASA-N 1 3 353.467 -0.389 20 0 FBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000825925150 661107012 /nfs/dbraw/zinc/10/70/12/661107012.db2.gz KOUXZPNATSJEHT-RBSFLKMASA-N 1 3 353.467 -0.389 20 0 FBADHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1-c1nnn[n-]1 ZINC000826077197 608114152 /nfs/dbraw/zinc/11/41/52/608114152.db2.gz DEOWIUUYCRVJPD-GFCCVEGCSA-N 1 3 374.453 -0.930 20 0 FBADHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1-c1nnn[n-]1 ZINC000826077197 608114151 /nfs/dbraw/zinc/11/41/51/608114151.db2.gz DEOWIUUYCRVJPD-GFCCVEGCSA-N 1 3 374.453 -0.930 20 0 FBADHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1-c1nnn[n-]1 ZINC000826077198 608114050 /nfs/dbraw/zinc/11/40/50/608114050.db2.gz DEOWIUUYCRVJPD-LBPRGKRZSA-N 1 3 374.453 -0.930 20 0 FBADHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1-c1nnn[n-]1 ZINC000826077198 608114049 /nfs/dbraw/zinc/11/40/49/608114049.db2.gz DEOWIUUYCRVJPD-LBPRGKRZSA-N 1 3 374.453 -0.930 20 0 FBADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000827705997 661121595 /nfs/dbraw/zinc/12/15/95/661121595.db2.gz JYKGUFKDFCVMMF-KKUMJFAQSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000827705997 661121593 /nfs/dbraw/zinc/12/15/93/661121593.db2.gz JYKGUFKDFCVMMF-KKUMJFAQSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000827705998 661121656 /nfs/dbraw/zinc/12/16/56/661121656.db2.gz JYKGUFKDFCVMMF-RRFJBIMHSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000827705998 661121655 /nfs/dbraw/zinc/12/16/55/661121655.db2.gz JYKGUFKDFCVMMF-RRFJBIMHSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000827705999 661121422 /nfs/dbraw/zinc/12/14/22/661121422.db2.gz JYKGUFKDFCVMMF-SOUVJXGZSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000827705999 661121420 /nfs/dbraw/zinc/12/14/20/661121420.db2.gz JYKGUFKDFCVMMF-SOUVJXGZSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000827706000 661121581 /nfs/dbraw/zinc/12/15/81/661121581.db2.gz JYKGUFKDFCVMMF-ZNMIVQPWSA-N 1 3 352.479 -0.045 20 0 FBADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000827706000 661121579 /nfs/dbraw/zinc/12/15/79/661121579.db2.gz JYKGUFKDFCVMMF-ZNMIVQPWSA-N 1 3 352.479 -0.045 20 0 FBADHO CCN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCN(CC)C1 ZINC000827707443 661121448 /nfs/dbraw/zinc/12/14/48/661121448.db2.gz PWPGKWGQDZZLHX-ARFHVFGLSA-N 1 3 352.479 -0.092 20 0 FBADHO CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCN(CC)C1 ZINC000827707443 661121446 /nfs/dbraw/zinc/12/14/46/661121446.db2.gz PWPGKWGQDZZLHX-ARFHVFGLSA-N 1 3 352.479 -0.092 20 0 FBADHO CCN(C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCN(CC)C1 ZINC000827707445 661121682 /nfs/dbraw/zinc/12/16/82/661121682.db2.gz PWPGKWGQDZZLHX-HRCADAONSA-N 1 3 352.479 -0.092 20 0 FBADHO CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCN(CC)C1 ZINC000827707445 661121679 /nfs/dbraw/zinc/12/16/79/661121679.db2.gz PWPGKWGQDZZLHX-HRCADAONSA-N 1 3 352.479 -0.092 20 0 FBADHO CCN(C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCN(CC)C1 ZINC000827707447 661121545 /nfs/dbraw/zinc/12/15/45/661121545.db2.gz PWPGKWGQDZZLHX-JYJNAYRXSA-N 1 3 352.479 -0.092 20 0 FBADHO CCN(C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCN(CC)C1 ZINC000827707447 661121543 /nfs/dbraw/zinc/12/15/43/661121543.db2.gz PWPGKWGQDZZLHX-JYJNAYRXSA-N 1 3 352.479 -0.092 20 0 FBADHO CCN(C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCN(CC)C1 ZINC000827707449 661121466 /nfs/dbraw/zinc/12/14/66/661121466.db2.gz PWPGKWGQDZZLHX-XHSDSOJGSA-N 1 3 352.479 -0.092 20 0 FBADHO CCN(C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCN(CC)C1 ZINC000827707449 661121463 /nfs/dbraw/zinc/12/14/63/661121463.db2.gz PWPGKWGQDZZLHX-XHSDSOJGSA-N 1 3 352.479 -0.092 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(O)(C(=O)OC)C3)CC2)CC1 ZINC000829970095 661136906 /nfs/dbraw/zinc/13/69/06/661136906.db2.gz RPPJFHGNXOBLRY-UHFFFAOYSA-N 1 3 353.463 -0.071 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000839285618 660554596 /nfs/dbraw/zinc/55/45/96/660554596.db2.gz FOKXUPNRGKBALJ-UHFFFAOYSA-N 1 3 372.901 -0.016 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCC2(C1)OCCO2 ZINC000839287469 660554738 /nfs/dbraw/zinc/55/47/38/660554738.db2.gz RWWMWYWCFCRRAL-UHFFFAOYSA-N 1 3 356.467 -0.696 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC1)OCCO2 ZINC000839288495 660554744 /nfs/dbraw/zinc/55/47/44/660554744.db2.gz WPKQFQCMSICPGI-UHFFFAOYSA-N 1 3 356.467 -0.696 20 0 FBADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000842165145 661186065 /nfs/dbraw/zinc/18/60/65/661186065.db2.gz TZAWEDLCFKNMAV-JYJNAYRXSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCCC1 ZINC000842165146 661185993 /nfs/dbraw/zinc/18/59/93/661185993.db2.gz TZAWEDLCFKNMAV-OAGGEKHMSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCCC1 ZINC000842165147 661186135 /nfs/dbraw/zinc/18/61/35/661186135.db2.gz TZAWEDLCFKNMAV-PMPSAXMXSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000842165148 661186074 /nfs/dbraw/zinc/18/60/74/661186074.db2.gz TZAWEDLCFKNMAV-XHSDSOJGSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@@H]21 ZINC000842165353 661186218 /nfs/dbraw/zinc/18/62/18/661186218.db2.gz VBMZHIOELMYVAW-DGADGQDISA-N 1 3 350.463 -0.448 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@@H]21 ZINC000842165354 661186168 /nfs/dbraw/zinc/18/61/68/661186168.db2.gz VBMZHIOELMYVAW-DGXTUMSLSA-N 1 3 350.463 -0.448 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]21 ZINC000842165357 661186112 /nfs/dbraw/zinc/18/61/12/661186112.db2.gz VBMZHIOELMYVAW-OXGONZEZSA-N 1 3 350.463 -0.448 20 0 FBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@H]21 ZINC000842165359 661186224 /nfs/dbraw/zinc/18/62/24/661186224.db2.gz VBMZHIOELMYVAW-YIDVYQOGSA-N 1 3 350.463 -0.448 20 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C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165431 661186529 /nfs/dbraw/zinc/18/65/29/661186529.db2.gz XKRLBHLGQIFPOP-RFQIPJPRSA-N 1 3 354.451 -0.805 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000842165432 661186450 /nfs/dbraw/zinc/18/64/50/661186450.db2.gz XKRLBHLGQIFPOP-XDQVBPFNSA-N 1 3 354.451 -0.805 20 0 FBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165432 661186447 /nfs/dbraw/zinc/18/64/47/661186447.db2.gz XKRLBHLGQIFPOP-XDQVBPFNSA-N 1 3 354.451 -0.805 20 0 FBADHO CN(C)C(=O)CN1CCN(C(=O)CN2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000844223176 661212283 /nfs/dbraw/zinc/21/22/83/661212283.db2.gz UNSFFMVCWSYCEQ-UHFFFAOYSA-N 1 3 351.495 -0.706 20 0 FBADHO C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1=O ZINC000844953076 661218645 /nfs/dbraw/zinc/21/86/45/661218645.db2.gz JGQGLVCLDJAEMO-CABCVRRESA-N 1 3 353.467 -0.735 20 0 FBADHO C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1=O ZINC000844953077 661218879 /nfs/dbraw/zinc/21/88/79/661218879.db2.gz JGQGLVCLDJAEMO-GJZGRUSLSA-N 1 3 353.467 -0.735 20 0 FBADHO C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1=O ZINC000844953078 661218622 /nfs/dbraw/zinc/21/86/22/661218622.db2.gz JGQGLVCLDJAEMO-HUUCEWRRSA-N 1 3 353.467 -0.735 20 0 FBADHO C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1=O ZINC000844953079 661218695 /nfs/dbraw/zinc/21/86/95/661218695.db2.gz JGQGLVCLDJAEMO-LSDHHAIUSA-N 1 3 353.467 -0.735 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846736785 661244250 /nfs/dbraw/zinc/24/42/50/661244250.db2.gz LVXRVTCJLJPIEC-CVEARBPZSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846736785 661244248 /nfs/dbraw/zinc/24/42/48/661244248.db2.gz LVXRVTCJLJPIEC-CVEARBPZSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846736788 661244269 /nfs/dbraw/zinc/24/42/69/661244269.db2.gz LVXRVTCJLJPIEC-HOTGVXAUSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846736788 661244266 /nfs/dbraw/zinc/24/42/66/661244266.db2.gz LVXRVTCJLJPIEC-HOTGVXAUSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000846736790 661244185 /nfs/dbraw/zinc/24/41/85/661244185.db2.gz LVXRVTCJLJPIEC-HZPDHXFCSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846736790 661244183 /nfs/dbraw/zinc/24/41/83/661244183.db2.gz LVXRVTCJLJPIEC-HZPDHXFCSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000846736792 661244227 /nfs/dbraw/zinc/24/42/27/661244227.db2.gz LVXRVTCJLJPIEC-JKSUJKDBSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846736792 661244226 /nfs/dbraw/zinc/24/42/26/661244226.db2.gz LVXRVTCJLJPIEC-JKSUJKDBSA-N 1 3 352.479 -0.090 20 0 FBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCN(S(C)(=O)=O)CC1 ZINC000849066582 661270494 /nfs/dbraw/zinc/27/04/94/661270494.db2.gz GEFZTVCCZSLZLA-AWEZNQCLSA-N 1 3 360.528 -0.838 20 0 FBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCN(S(C)(=O)=O)CC1 ZINC000849066583 661270804 /nfs/dbraw/zinc/27/08/04/661270804.db2.gz GEFZTVCCZSLZLA-CQSZACIVSA-N 1 3 360.528 -0.838 20 0 FBADHO CN1CC[C@@](O)(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085664 661270787 /nfs/dbraw/zinc/27/07/87/661270787.db2.gz UYOKSDMXUYWGFM-CXAGYDPISA-N 1 3 353.467 -0.067 20 0 FBADHO CN1CC[C@](O)(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085665 661270712 /nfs/dbraw/zinc/27/07/12/661270712.db2.gz UYOKSDMXUYWGFM-DYVFJYSZSA-N 1 3 353.467 -0.067 20 0 FBADHO CN1CC[C@](O)(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085666 661270773 /nfs/dbraw/zinc/27/07/73/661270773.db2.gz UYOKSDMXUYWGFM-GUYCJALGSA-N 1 3 353.467 -0.067 20 0 FBADHO CN1CC[C@@](O)(CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849085667 661270822 /nfs/dbraw/zinc/27/08/22/661270822.db2.gz UYOKSDMXUYWGFM-SUMWQHHRSA-N 1 3 353.467 -0.067 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NCCNS(C)(=O)=O ZINC000849277098 661271878 /nfs/dbraw/zinc/27/18/78/661271878.db2.gz UHAQJVWJOOMMMR-LBPRGKRZSA-N 1 3 353.558 -0.728 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NCCNS(C)(=O)=O ZINC000849277098 661271874 /nfs/dbraw/zinc/27/18/74/661271874.db2.gz UHAQJVWJOOMMMR-LBPRGKRZSA-N 1 3 353.558 -0.728 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000853683635 661317393 /nfs/dbraw/zinc/31/73/93/661317393.db2.gz VKWOTYZFXMKMRY-CABCVRRESA-N 1 3 355.483 -0.489 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853683635 661317391 /nfs/dbraw/zinc/31/73/91/661317391.db2.gz VKWOTYZFXMKMRY-CABCVRRESA-N 1 3 355.483 -0.489 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000853683636 661317788 /nfs/dbraw/zinc/31/77/88/661317788.db2.gz VKWOTYZFXMKMRY-GJZGRUSLSA-N 1 3 355.483 -0.489 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853683636 661317782 /nfs/dbraw/zinc/31/77/82/661317782.db2.gz VKWOTYZFXMKMRY-GJZGRUSLSA-N 1 3 355.483 -0.489 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000853683637 661317653 /nfs/dbraw/zinc/31/76/53/661317653.db2.gz VKWOTYZFXMKMRY-HUUCEWRRSA-N 1 3 355.483 -0.489 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000853683637 661317650 /nfs/dbraw/zinc/31/76/50/661317650.db2.gz VKWOTYZFXMKMRY-HUUCEWRRSA-N 1 3 355.483 -0.489 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000853683638 661317736 /nfs/dbraw/zinc/31/77/36/661317736.db2.gz VKWOTYZFXMKMRY-LSDHHAIUSA-N 1 3 355.483 -0.489 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000853683638 661317733 /nfs/dbraw/zinc/31/77/33/661317733.db2.gz VKWOTYZFXMKMRY-LSDHHAIUSA-N 1 3 355.483 -0.489 20 0 FBADHO CC1=C(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)Cn2nnnc2N1C ZINC000855346711 661338308 /nfs/dbraw/zinc/33/83/08/661338308.db2.gz JRBCSGRSGZKLJM-LBPRGKRZSA-N 1 3 350.471 -0.215 20 0 FBADHO CC1=C(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)Cn2nnnc2N1C ZINC000855346711 661338305 /nfs/dbraw/zinc/33/83/05/661338305.db2.gz JRBCSGRSGZKLJM-LBPRGKRZSA-N 1 3 350.471 -0.215 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCN1C(=O)CCNC1=S ZINC000855346901 661338157 /nfs/dbraw/zinc/33/81/57/661338157.db2.gz NVVSKNRKQRVLMU-ZDUSSCGKSA-N 1 3 357.524 -0.129 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCN1C(=O)CCNC1=S ZINC000855346901 661338153 /nfs/dbraw/zinc/33/81/53/661338153.db2.gz NVVSKNRKQRVLMU-ZDUSSCGKSA-N 1 3 357.524 -0.129 20 0 FBADHO Cc1nc(NCCN2CC[C@@H](O)C2)nc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000858812499 661369073 /nfs/dbraw/zinc/36/90/73/661369073.db2.gz PZJFSKFTSSMDTF-ZIAGYGMSSA-N 1 3 351.455 -0.863 20 0 FBADHO Cc1nc(NCCN2CC[C@@H](O)C2)nc(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000858812499 661369071 /nfs/dbraw/zinc/36/90/71/661369071.db2.gz PZJFSKFTSSMDTF-ZIAGYGMSSA-N 1 3 351.455 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C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000861756193 661398747 /nfs/dbraw/zinc/39/87/47/661398747.db2.gz UWLTZQWEDATFLL-IHETXDGRSA-N 1 3 350.463 -0.576 20 0 FBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000861756194 661398739 /nfs/dbraw/zinc/39/87/39/661398739.db2.gz UWLTZQWEDATFLL-NONVJHHQSA-N 1 3 350.463 -0.576 20 0 FBADHO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000866676061 661446097 /nfs/dbraw/zinc/44/60/97/661446097.db2.gz USBBTBWNUNCFKF-CVEARBPZSA-N 1 3 360.524 -0.594 20 0 FBADHO C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000866676062 661445933 /nfs/dbraw/zinc/44/59/33/661445933.db2.gz USBBTBWNUNCFKF-HOTGVXAUSA-N 1 3 360.524 -0.594 20 0 FBADHO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000866676063 661446191 /nfs/dbraw/zinc/44/61/91/661446191.db2.gz USBBTBWNUNCFKF-HZPDHXFCSA-N 1 3 360.524 -0.594 20 0 FBADHO C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000866676064 661446591 /nfs/dbraw/zinc/44/65/91/661446591.db2.gz USBBTBWNUNCFKF-JKSUJKDBSA-N 1 3 360.524 -0.594 20 0 FBADHO CN1CCN(C(=O)CCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711291 661447485 /nfs/dbraw/zinc/44/74/85/661447485.db2.gz HEEXWINACABFAK-KFWWJZLASA-N 1 3 351.451 -0.983 20 0 FBADHO CN1CCN(C(=O)CCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866711292 661447314 /nfs/dbraw/zinc/44/73/14/661447314.db2.gz HEEXWINACABFAK-ZNMIVQPWSA-N 1 3 351.451 -0.983 20 0 FBADHO CS(=O)(=O)N1CCC[C@H](CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714088 661447444 /nfs/dbraw/zinc/44/74/44/661447444.db2.gz FWEVCPUYMNARIF-BARDWOONSA-N 1 3 372.491 -0.475 20 0 FBADHO CS(=O)(=O)N1CCC[C@H](CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714089 661447229 /nfs/dbraw/zinc/44/72/29/661447229.db2.gz FWEVCPUYMNARIF-TUVASFSCSA-N 1 3 372.491 -0.475 20 0 FBADHO CS(=O)(=O)N1CCC[C@@H](CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714090 661447163 /nfs/dbraw/zinc/44/71/63/661447163.db2.gz FWEVCPUYMNARIF-XQLPTFJDSA-N 1 3 372.491 -0.475 20 0 FBADHO CS(=O)(=O)N1CCC[C@@H](CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866714091 661448009 /nfs/dbraw/zinc/44/80/09/661448009.db2.gz FWEVCPUYMNARIF-YJNKXOJESA-N 1 3 372.491 -0.475 20 0 FBADHO CN(C)CCCS(=O)(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000866779228 661451634 /nfs/dbraw/zinc/45/16/34/661451634.db2.gz KEHYTODNVUTAKA-KGLIPLIRSA-N 1 3 360.480 -0.475 20 0 FBADHO CN(C)C[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000867589928 661458798 /nfs/dbraw/zinc/45/87/98/661458798.db2.gz STYKLBPFBVBDDH-ZIAGYGMSSA-N 1 3 369.553 -0.578 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC000867591201 661458920 /nfs/dbraw/zinc/45/89/20/661458920.db2.gz YSCNGPVYOPSLMB-KFWWJZLASA-N 1 3 360.524 -0.104 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC000867591203 661459027 /nfs/dbraw/zinc/45/90/27/661459027.db2.gz YSCNGPVYOPSLMB-RBSFLKMASA-N 1 3 360.524 -0.104 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000868385488 661471039 /nfs/dbraw/zinc/47/10/39/661471039.db2.gz SFQMZTHJLWCNKR-INIZCTEOSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000868385489 661470964 /nfs/dbraw/zinc/47/09/64/661470964.db2.gz SFQMZTHJLWCNKR-MRXNPFEDSA-N 1 3 351.495 -0.435 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC1(C)C ZINC000868403906 661472310 /nfs/dbraw/zinc/47/23/10/661472310.db2.gz AXLRJPTYCZMTTB-HNNXBMFYSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1(C)C ZINC000868403910 661472426 /nfs/dbraw/zinc/47/24/26/661472426.db2.gz AXLRJPTYCZMTTB-OAHLLOKOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC1(C)C ZINC000868404809 661472417 /nfs/dbraw/zinc/47/24/17/661472417.db2.gz GORNLPUCWSYJFY-HNNXBMFYSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC1(C)C ZINC000868404810 661472401 /nfs/dbraw/zinc/47/24/01/661472401.db2.gz GORNLPUCWSYJFY-OAHLLOKOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868419446 661473546 /nfs/dbraw/zinc/47/35/46/661473546.db2.gz PDBXQLJKUNMLJG-CVEARBPZSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868419447 661473416 /nfs/dbraw/zinc/47/34/16/661473416.db2.gz PDBXQLJKUNMLJG-HOTGVXAUSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419448 661473482 /nfs/dbraw/zinc/47/34/82/661473482.db2.gz PDBXQLJKUNMLJG-HZPDHXFCSA-N 1 3 351.495 -0.565 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868419449 661473361 /nfs/dbraw/zinc/47/33/61/661473361.db2.gz PDBXQLJKUNMLJG-JKSUJKDBSA-N 1 3 351.495 -0.565 20 0 FBADHO CC1=C(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)S(=O)(=O)CCO1 ZINC000870020554 661482221 /nfs/dbraw/zinc/48/22/21/661482221.db2.gz RSIKBEVNGVQLKX-ZIAGYGMSSA-N 1 3 359.492 -0.139 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872187186 661492002 /nfs/dbraw/zinc/49/20/02/661492002.db2.gz DQVRQVUKFWEZGI-HDMKZQKVSA-N 1 3 352.479 -0.377 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872187193 661492075 /nfs/dbraw/zinc/49/20/75/661492075.db2.gz DQVRQVUKFWEZGI-RLFYNMQTSA-N 1 3 352.479 -0.377 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872188981 661492071 /nfs/dbraw/zinc/49/20/71/661492071.db2.gz BACHKALXKXOLOG-NEPJUHHUSA-N 1 3 368.400 -0.381 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872188982 661492088 /nfs/dbraw/zinc/49/20/88/661492088.db2.gz BACHKALXKXOLOG-NWDGAFQWSA-N 1 3 368.400 -0.381 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872188983 661491991 /nfs/dbraw/zinc/49/19/91/661491991.db2.gz 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352.479 -0.092 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155167 661515413 /nfs/dbraw/zinc/51/54/13/661515413.db2.gz CAYMJSUVTHWYQW-LSDHHAIUSA-N 1 3 352.479 -0.092 20 0 FBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1(C)C ZINC000875155167 661515410 /nfs/dbraw/zinc/51/54/10/661515410.db2.gz CAYMJSUVTHWYQW-LSDHHAIUSA-N 1 3 352.479 -0.092 20 0 FBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000875155363 661515391 /nfs/dbraw/zinc/51/53/91/661515391.db2.gz FKBZOTAVBOPLPC-FPCVCCKLSA-N 1 3 350.463 -0.482 20 0 FBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000875155363 661515390 /nfs/dbraw/zinc/51/53/90/661515390.db2.gz FKBZOTAVBOPLPC-FPCVCCKLSA-N 1 3 350.463 -0.482 20 0 FBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@H]21 ZINC000875155364 661515448 /nfs/dbraw/zinc/51/54/48/661515448.db2.gz FKBZOTAVBOPLPC-KLHDSHLOSA-N 1 3 350.463 -0.482 20 0 FBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@H]21 ZINC000875155364 661515445 /nfs/dbraw/zinc/51/54/45/661515445.db2.gz FKBZOTAVBOPLPC-KLHDSHLOSA-N 1 3 350.463 -0.482 20 0 FBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@H]21 ZINC000875155365 661515260 /nfs/dbraw/zinc/51/52/60/661515260.db2.gz FKBZOTAVBOPLPC-QKPAOTATSA-N 1 3 350.463 -0.482 20 0 FBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@H]21 ZINC000875155365 661515258 /nfs/dbraw/zinc/51/52/58/661515258.db2.gz FKBZOTAVBOPLPC-QKPAOTATSA-N 1 3 350.463 -0.482 20 0 FBADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]21 ZINC000875155366 661515333 /nfs/dbraw/zinc/51/53/33/661515333.db2.gz FKBZOTAVBOPLPC-QXSJWSMHSA-N 1 3 350.463 -0.482 20 0 FBADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]21 ZINC000875155366 661515331 /nfs/dbraw/zinc/51/53/31/661515331.db2.gz FKBZOTAVBOPLPC-QXSJWSMHSA-N 1 3 350.463 -0.482 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000875387602 661520661 /nfs/dbraw/zinc/52/06/61/661520661.db2.gz CSNRJMKRCVYJFX-KFWWJZLASA-N 1 3 360.524 -0.056 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000875387604 661520779 /nfs/dbraw/zinc/52/07/79/661520779.db2.gz CSNRJMKRCVYJFX-RBSFLKMASA-N 1 3 360.524 -0.056 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC000875453808 661522153 /nfs/dbraw/zinc/52/21/53/661522153.db2.gz QZPPTIZNFYLZKP-KFWWJZLASA-N 1 3 360.524 -0.056 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC000875453809 661521987 /nfs/dbraw/zinc/52/19/87/661521987.db2.gz QZPPTIZNFYLZKP-RBSFLKMASA-N 1 3 360.524 -0.056 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)NCC2(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC000875547084 661522875 /nfs/dbraw/zinc/52/28/75/661522875.db2.gz QGKMIFIXLZOKHA-ZIAGYGMSSA-N 1 3 360.524 -0.056 20 0 FBADHO CN(C)C[C@@H]1CN(C(=O)NCCS(=O)(=O)C2CC2)C[C@H]1C[NH+](C)C ZINC000875669976 661524908 /nfs/dbraw/zinc/52/49/08/661524908.db2.gz NZJDZICCMIIBLJ-ZIAGYGMSSA-N 1 3 360.524 -0.056 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000875712651 661525278 /nfs/dbraw/zinc/52/52/78/661525278.db2.gz HBBDLCLKUVWFLE-MELADBBJSA-N 1 3 353.467 -0.485 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000875712651 661525274 /nfs/dbraw/zinc/52/52/74/661525274.db2.gz HBBDLCLKUVWFLE-MELADBBJSA-N 1 3 353.467 -0.485 20 0 FBADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)CCS1(=O)=O ZINC000875867686 661526601 /nfs/dbraw/zinc/52/66/01/661526601.db2.gz WNRKTHCYWSGTBG-KBUPBQIOSA-N 1 3 360.524 -0.057 20 0 FBADHO CN(C)C[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000876849222 661537681 /nfs/dbraw/zinc/53/76/81/661537681.db2.gz XXKYQXSCQWMMIC-INIZCTEOSA-N 1 3 353.511 -0.284 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000877330532 661540900 /nfs/dbraw/zinc/54/09/00/661540900.db2.gz FEUSIYCYHWXPKC-CABCVRRESA-N 1 3 352.479 -0.329 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000877330534 661540922 /nfs/dbraw/zinc/54/09/22/661540922.db2.gz FEUSIYCYHWXPKC-GJZGRUSLSA-N 1 3 352.479 -0.329 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000877330536 661540910 /nfs/dbraw/zinc/54/09/10/661540910.db2.gz FEUSIYCYHWXPKC-HUUCEWRRSA-N 1 3 352.479 -0.329 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000877330538 661540895 /nfs/dbraw/zinc/54/08/95/661540895.db2.gz FEUSIYCYHWXPKC-LSDHHAIUSA-N 1 3 352.479 -0.329 20 0 FBADHO CS(=O)(=O)C1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877342565 661541144 /nfs/dbraw/zinc/54/11/44/661541144.db2.gz CUIDOIBWLZSBEA-HNNXBMFYSA-N 1 3 351.472 -0.016 20 0 FBADHO CS(=O)(=O)C1(C(=O)NC[C@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877342566 661541090 /nfs/dbraw/zinc/54/10/90/661541090.db2.gz CUIDOIBWLZSBEA-OAHLLOKOSA-N 1 3 351.472 -0.016 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1=O ZINC000877360194 661541246 /nfs/dbraw/zinc/54/12/46/661541246.db2.gz LIFLAQVHESJCJS-GRYCIOLGSA-N 1 3 350.385 -0.008 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1=O ZINC000877360195 661541117 /nfs/dbraw/zinc/54/11/17/661541117.db2.gz LIFLAQVHESJCJS-IJLUTSLNSA-N 1 3 350.385 -0.008 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1=O ZINC000877360196 661541171 /nfs/dbraw/zinc/54/11/71/661541171.db2.gz LIFLAQVHESJCJS-UTUOFQBUSA-N 1 3 350.385 -0.008 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1=O ZINC000877360197 661541303 /nfs/dbraw/zinc/54/13/03/661541303.db2.gz LIFLAQVHESJCJS-WOPDTQHZSA-N 1 3 350.385 -0.008 20 0 FBADHO C[NH+]1CCC(NC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000878048872 661543860 /nfs/dbraw/zinc/54/38/60/661543860.db2.gz FNYXVAKNCDBJGT-UHFFFAOYSA-N 1 3 351.495 -0.563 20 0 FBADHO CCN(CC)CC(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878054363 661543871 /nfs/dbraw/zinc/54/38/71/661543871.db2.gz FLBLGRGFUOCKFL-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878199160 661544460 /nfs/dbraw/zinc/54/44/60/661544460.db2.gz UMZYFHGYDOSIHW-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878199161 661544392 /nfs/dbraw/zinc/54/43/92/661544392.db2.gz UMZYFHGYDOSIHW-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCN(CC[Si](C)(C)CC[N@H+]2CCN(C)C[C@@H]2CO)[C@@H](CO)C1 ZINC000879001444 661548748 /nfs/dbraw/zinc/54/87/48/661548748.db2.gz XGMGLACGCVJFEX-QZTJIDSGSA-N 1 3 372.630 -0.089 20 0 FBADHO CN1CCN(CC[Si](C)(C)CC[N@@H+]2CCN(C)C[C@@H]2CO)[C@@H](CO)C1 ZINC000879001444 661548743 /nfs/dbraw/zinc/54/87/43/661548743.db2.gz XGMGLACGCVJFEX-QZTJIDSGSA-N 1 3 372.630 -0.089 20 0 FBADHO CN1CCN(CC[Si](C)(C)CC[N@H+]2CCN(C)C[C@H]2CO)[C@H](CO)C1 ZINC000879001445 661548620 /nfs/dbraw/zinc/54/86/20/661548620.db2.gz XGMGLACGCVJFEX-ROUUACIJSA-N 1 3 372.630 -0.089 20 0 FBADHO CN1CCN(CC[Si](C)(C)CC[N@@H+]2CCN(C)C[C@H]2CO)[C@H](CO)C1 ZINC000879001445 661548619 /nfs/dbraw/zinc/54/86/19/661548619.db2.gz XGMGLACGCVJFEX-ROUUACIJSA-N 1 3 372.630 -0.089 20 0 FBADHO NC(=O)C1(N2CCCCC2)CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000883447851 661577526 /nfs/dbraw/zinc/57/75/26/661577526.db2.gz NGZBCMHZTKDJQD-UHFFFAOYSA-N 1 3 351.495 -0.386 20 0 FBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000883645528 661579006 /nfs/dbraw/zinc/57/90/06/661579006.db2.gz NQMXUTDLSBEGPF-MRXNPFEDSA-N 1 3 353.511 -0.317 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(O)(c2ncnn2C)C1 ZINC000883769817 661580050 /nfs/dbraw/zinc/58/00/50/661580050.db2.gz CJWUXQDFFAOUCL-ZDUSSCGKSA-N 1 3 353.471 -0.700 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(O)(c2ncnn2C)C1 ZINC000883769817 661580048 /nfs/dbraw/zinc/58/00/48/661580048.db2.gz CJWUXQDFFAOUCL-ZDUSSCGKSA-N 1 3 353.471 -0.700 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)NCCN3CCNC3=O)CC2)CC1 ZINC000884124289 661585461 /nfs/dbraw/zinc/58/54/61/661585461.db2.gz SZHJBGRDEYJUNC-UHFFFAOYSA-N 1 3 352.483 -0.131 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1(C)C ZINC000884507368 661590619 /nfs/dbraw/zinc/59/06/19/661590619.db2.gz BEBCOFZCQNTLDK-CABCVRRESA-N 1 3 351.495 -0.519 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1(C)C ZINC000884507369 661590529 /nfs/dbraw/zinc/59/05/29/661590529.db2.gz BEBCOFZCQNTLDK-GJZGRUSLSA-N 1 3 351.495 -0.519 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1(C)C ZINC000884507370 661590523 /nfs/dbraw/zinc/59/05/23/661590523.db2.gz BEBCOFZCQNTLDK-HUUCEWRRSA-N 1 3 351.495 -0.519 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1(C)C ZINC000884507371 661590648 /nfs/dbraw/zinc/59/06/48/661590648.db2.gz BEBCOFZCQNTLDK-LSDHHAIUSA-N 1 3 351.495 -0.519 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1(C)C ZINC000884507393 661590564 /nfs/dbraw/zinc/59/05/64/661590564.db2.gz BRAMTFSJCZOIGT-KBXCAEBGSA-N 1 3 351.495 -0.804 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1(C)C ZINC000884507690 661590658 /nfs/dbraw/zinc/59/06/58/661590658.db2.gz KCEVBIBNEPWFJG-SHTZXODSSA-N 1 3 353.511 -0.238 20 0 FBADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000884507849 661590959 /nfs/dbraw/zinc/59/09/59/661590959.db2.gz ODMUGBLFXJJLFM-UHFFFAOYSA-N 1 3 353.511 -0.142 20 0 FBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000884508265 661590851 /nfs/dbraw/zinc/59/08/51/661590851.db2.gz ZBDKJMNBLUNLGS-OAHLLOKOSA-N 1 3 353.511 -0.271 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1(C)C ZINC000884508281 661590862 /nfs/dbraw/zinc/59/08/62/661590862.db2.gz ZKNOJCHCZBQRMB-HNNXBMFYSA-N 1 3 353.511 -0.142 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1(C)C ZINC000884508282 661590928 /nfs/dbraw/zinc/59/09/28/661590928.db2.gz ZKNOJCHCZBQRMB-OAHLLOKOSA-N 1 3 353.511 -0.142 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884559702 661591673 /nfs/dbraw/zinc/59/16/73/661591673.db2.gz BNFOHOAHZKHKBE-FRRDWIJNSA-N 1 3 360.405 -0.673 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884559703 661591568 /nfs/dbraw/zinc/59/15/68/661591568.db2.gz BNFOHOAHZKHKBE-JHJVBQTASA-N 1 3 360.405 -0.673 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884559704 661591585 /nfs/dbraw/zinc/59/15/85/661591585.db2.gz BNFOHOAHZKHKBE-RWMBFGLXSA-N 1 3 360.405 -0.673 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884559705 661591659 /nfs/dbraw/zinc/59/16/59/661591659.db2.gz BNFOHOAHZKHKBE-YNEHKIRRSA-N 1 3 360.405 -0.673 20 0 FBADHO CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)[NH2+]C1 ZINC000884559756 661591511 /nfs/dbraw/zinc/59/15/11/661591511.db2.gz DARQGKJNMZUMNB-ILXRZTDVSA-N 1 3 352.479 -0.140 20 0 FBADHO CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)[NH2+]C1 ZINC000884559757 661591631 /nfs/dbraw/zinc/59/16/31/661591631.db2.gz DARQGKJNMZUMNB-KFWWJZLASA-N 1 3 352.479 -0.140 20 0 FBADHO CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[NH2+]C1 ZINC000884559758 661591593 /nfs/dbraw/zinc/59/15/93/661591593.db2.gz DARQGKJNMZUMNB-QLFBSQMISA-N 1 3 352.479 -0.140 20 0 FBADHO CC1(C)CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[NH2+]C1 ZINC000884559759 661591643 /nfs/dbraw/zinc/59/16/43/661591643.db2.gz DARQGKJNMZUMNB-RBSFLKMASA-N 1 3 352.479 -0.140 20 0 FBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000884559995 661591599 /nfs/dbraw/zinc/59/15/99/661591599.db2.gz KVFWILVZCJZKGK-KKUMJFAQSA-N 1 3 352.479 -0.140 20 0 FBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000884559996 661591548 /nfs/dbraw/zinc/59/15/48/661591548.db2.gz KVFWILVZCJZKGK-RRFJBIMHSA-N 1 3 352.479 -0.140 20 0 FBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000884559997 661591608 /nfs/dbraw/zinc/59/16/08/661591608.db2.gz KVFWILVZCJZKGK-SOUVJXGZSA-N 1 3 352.479 -0.140 20 0 FBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000884559998 661591561 /nfs/dbraw/zinc/59/15/61/661591561.db2.gz KVFWILVZCJZKGK-ZNMIVQPWSA-N 1 3 352.479 -0.140 20 0 FBADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000884560483 661591526 /nfs/dbraw/zinc/59/15/26/661591526.db2.gz YQUDMKWNRDSJAX-JKJDWNRSSA-N 1 3 350.463 -0.387 20 0 FBADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000884560484 661591535 /nfs/dbraw/zinc/59/15/35/661591535.db2.gz YQUDMKWNRDSJAX-QRJUGERDSA-N 1 3 350.463 -0.387 20 0 FBADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000884560485 661591623 /nfs/dbraw/zinc/59/16/23/661591623.db2.gz YQUDMKWNRDSJAX-XFIYOXNOSA-N 1 3 350.463 -0.387 20 0 FBADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000884560486 661591924 /nfs/dbraw/zinc/59/19/24/661591924.db2.gz YQUDMKWNRDSJAX-YIDVYQOGSA-N 1 3 350.463 -0.387 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000884587193 661592210 /nfs/dbraw/zinc/59/22/10/661592210.db2.gz CFYZRGMXPPXEBC-NEPJUHHUSA-N 1 3 368.400 -0.334 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884587194 661592247 /nfs/dbraw/zinc/59/22/47/661592247.db2.gz CFYZRGMXPPXEBC-NWDGAFQWSA-N 1 3 368.400 -0.334 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884587195 661592108 /nfs/dbraw/zinc/59/21/08/661592108.db2.gz CFYZRGMXPPXEBC-RYUDHWBXSA-N 1 3 368.400 -0.334 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000884587196 661592182 /nfs/dbraw/zinc/59/21/82/661592182.db2.gz CFYZRGMXPPXEBC-VXGBXAGGSA-N 1 3 368.400 -0.334 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884587302 661592123 /nfs/dbraw/zinc/59/21/23/661592123.db2.gz GDSGXUXYKGBIIM-GFCCVEGCSA-N 1 3 350.410 -0.568 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884587303 661592250 /nfs/dbraw/zinc/59/22/50/661592250.db2.gz GDSGXUXYKGBIIM-LBPRGKRZSA-N 1 3 350.410 -0.568 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884597854 661592395 /nfs/dbraw/zinc/59/23/95/661592395.db2.gz MFIRYVFYHQPESI-INIZCTEOSA-N 1 3 353.511 -0.140 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884597855 661592641 /nfs/dbraw/zinc/59/26/41/661592641.db2.gz MFIRYVFYHQPESI-MRXNPFEDSA-N 1 3 353.511 -0.140 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884597970 661592718 /nfs/dbraw/zinc/59/27/18/661592718.db2.gz PTYWPHXRIBNIFC-MAUKXSAKSA-N 1 3 351.495 -0.802 20 0 FBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000884598011 661592700 /nfs/dbraw/zinc/59/27/00/661592700.db2.gz QQPYWSKKEWMMLP-MRXNPFEDSA-N 1 3 353.511 -0.269 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000884612451 661592681 /nfs/dbraw/zinc/59/26/81/661592681.db2.gz LVRQHDMGADFMGE-BXUZGUMPSA-N 1 3 364.462 -0.099 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000884612452 661592585 /nfs/dbraw/zinc/59/25/85/661592585.db2.gz LVRQHDMGADFMGE-FZMZJTMJSA-N 1 3 364.462 -0.099 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000884612453 661592930 /nfs/dbraw/zinc/59/29/30/661592930.db2.gz LVRQHDMGADFMGE-RISCZKNCSA-N 1 3 364.462 -0.099 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000884612454 661592946 /nfs/dbraw/zinc/59/29/46/661592946.db2.gz LVRQHDMGADFMGE-SMDDNHRTSA-N 1 3 364.462 -0.099 20 0 FBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884656264 661593505 /nfs/dbraw/zinc/59/35/05/661593505.db2.gz ABNXVTASEVYZHW-OKILXGFUSA-N 1 3 352.479 -0.045 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)CN1CCN(C)CC1 ZINC000884669896 661593817 /nfs/dbraw/zinc/59/38/17/661593817.db2.gz JTOIJYIUZANYAD-BZUAXINKSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)CN1CCN(C)CC1 ZINC000884669897 661593875 /nfs/dbraw/zinc/59/38/75/661593875.db2.gz JTOIJYIUZANYAD-OAGGEKHMSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)CN1CCN(C)CC1 ZINC000884669898 661593745 /nfs/dbraw/zinc/59/37/45/661593745.db2.gz JTOIJYIUZANYAD-OWCLPIDISA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)CN1CCN(C)CC1 ZINC000884669899 661593862 /nfs/dbraw/zinc/59/38/62/661593862.db2.gz JTOIJYIUZANYAD-PMPSAXMXSA-N 1 3 351.495 -0.661 20 0 FBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000884669925 661593899 /nfs/dbraw/zinc/59/38/99/661593899.db2.gz KICIMAMJHRZYIF-HZPDHXFCSA-N 1 3 353.511 -0.413 20 0 FBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000884669926 661593830 /nfs/dbraw/zinc/59/38/30/661593830.db2.gz KICIMAMJHRZYIF-JKSUJKDBSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000884670009 661593804 /nfs/dbraw/zinc/59/38/04/661593804.db2.gz MRUFEETWMMPRIK-CVEARBPZSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN(C(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000884670010 661593801 /nfs/dbraw/zinc/59/38/01/661593801.db2.gz MRUFEETWMMPRIK-HOTGVXAUSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884670011 661593825 /nfs/dbraw/zinc/59/38/25/661593825.db2.gz MRUFEETWMMPRIK-HZPDHXFCSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN(C(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884670012 661593892 /nfs/dbraw/zinc/59/38/92/661593892.db2.gz MRUFEETWMMPRIK-JKSUJKDBSA-N 1 3 353.511 -0.413 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000884670056 661593810 /nfs/dbraw/zinc/59/38/10/661593810.db2.gz OFIYARDXDDKFMS-CVEARBPZSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000884670057 661593886 /nfs/dbraw/zinc/59/38/86/661593886.db2.gz OFIYARDXDDKFMS-HOTGVXAUSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000884670058 661593786 /nfs/dbraw/zinc/59/37/86/661593786.db2.gz OFIYARDXDDKFMS-HZPDHXFCSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000884670059 661593847 /nfs/dbraw/zinc/59/38/47/661593847.db2.gz OFIYARDXDDKFMS-JKSUJKDBSA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CN1CCN(C)CC1 ZINC000884670083 661593795 /nfs/dbraw/zinc/59/37/95/661593795.db2.gz ORGSWYNQHSRODB-RLFYNMQTSA-N 1 3 351.495 -0.946 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CN1CCN(C)CC1 ZINC000884670084 661593774 /nfs/dbraw/zinc/59/37/74/661593774.db2.gz ORGSWYNQHSRODB-RVKKMQEKSA-N 1 3 351.495 -0.946 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884670201 661593851 /nfs/dbraw/zinc/59/38/51/661593851.db2.gz RFDZTIUAZAVROW-HRCADAONSA-N 1 3 351.495 -0.661 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884670202 661593910 /nfs/dbraw/zinc/59/39/10/661593910.db2.gz RFDZTIUAZAVROW-OAGGEKHMSA-N 1 3 351.495 -0.661 20 0 FBADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000884670218 661593835 /nfs/dbraw/zinc/59/38/35/661593835.db2.gz RPDUVBXEJHREPR-HNNXBMFYSA-N 1 3 353.511 -0.284 20 0 FBADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000884670219 661593765 /nfs/dbraw/zinc/59/37/65/661593765.db2.gz RPDUVBXEJHREPR-OAHLLOKOSA-N 1 3 353.511 -0.284 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884670237 661593870 /nfs/dbraw/zinc/59/38/70/661593870.db2.gz SRIJWXIFXTYLOS-BZUAXINKSA-N 1 3 353.511 -0.571 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)CN1CCN(C)CC1 ZINC000884670379 661594133 /nfs/dbraw/zinc/59/41/33/661594133.db2.gz XYFUZJSHUOJQAV-BZUAXINKSA-N 1 3 353.511 -0.380 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)CN1CCN(C)CC1 ZINC000884670380 661594112 /nfs/dbraw/zinc/59/41/12/661594112.db2.gz XYFUZJSHUOJQAV-JYJNAYRXSA-N 1 3 353.511 -0.380 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000884681960 661594400 /nfs/dbraw/zinc/59/44/00/661594400.db2.gz KYTXZSYHJWAYPI-HNNXBMFYSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000884681961 661594497 /nfs/dbraw/zinc/59/44/97/661594497.db2.gz KYTXZSYHJWAYPI-OAHLLOKOSA-N 1 3 351.495 -0.517 20 0 FBADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884690566 661594835 /nfs/dbraw/zinc/59/48/35/661594835.db2.gz DNHCLMGWBIQFPF-UHFFFAOYSA-N 1 3 353.511 -0.271 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000884694126 661594811 /nfs/dbraw/zinc/59/48/11/661594811.db2.gz BLASCDVSWHLMSA-HNNXBMFYSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000884694127 661594878 /nfs/dbraw/zinc/59/48/78/661594878.db2.gz BLASCDVSWHLMSA-OAHLLOKOSA-N 1 3 351.495 -0.517 20 0 FBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884700206 661594913 /nfs/dbraw/zinc/59/49/13/661594913.db2.gz NWCYJYOALZFNBY-HNNXBMFYSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884700207 661594839 /nfs/dbraw/zinc/59/48/39/661594839.db2.gz NWCYJYOALZFNBY-OAHLLOKOSA-N 1 3 353.511 -0.286 20 0 FBADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884712402 661594852 /nfs/dbraw/zinc/59/48/52/661594852.db2.gz PXPQACUGOXAEJQ-UHFFFAOYSA-N 1 3 353.511 -0.142 20 0 FBADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884720586 661595119 /nfs/dbraw/zinc/59/51/19/661595119.db2.gz QNFIYWSEHDTZPQ-HNNXBMFYSA-N 1 3 353.511 -0.142 20 0 FBADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884720587 661595182 /nfs/dbraw/zinc/59/51/82/661595182.db2.gz QNFIYWSEHDTZPQ-OAHLLOKOSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884720756 661595227 /nfs/dbraw/zinc/59/52/27/661595227.db2.gz UHELJSUWMIUENB-GDBMZVCRSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884720757 661595150 /nfs/dbraw/zinc/59/51/50/661595150.db2.gz UHELJSUWMIUENB-GOEBONIOSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884720758 661595212 /nfs/dbraw/zinc/59/52/12/661595212.db2.gz UHELJSUWMIUENB-HOCLYGCPSA-N 1 3 351.495 -0.661 20 0 FBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884720759 661595088 /nfs/dbraw/zinc/59/50/88/661595088.db2.gz UHELJSUWMIUENB-ZBFHGGJFSA-N 1 3 351.495 -0.661 20 0 FBADHO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000884725730 661595359 /nfs/dbraw/zinc/59/53/59/661595359.db2.gz VJPMOKKUMUELMS-HNNXBMFYSA-N 1 3 352.479 -0.042 20 0 FBADHO CC1([NH+]2CCCCC2)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000884725731 661595486 /nfs/dbraw/zinc/59/54/86/661595486.db2.gz VJPMOKKUMUELMS-OAHLLOKOSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000884725760 661595458 /nfs/dbraw/zinc/59/54/58/661595458.db2.gz WOVPYEIZJVRBNT-HNNXBMFYSA-N 1 3 352.479 -0.042 20 0 FBADHO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000884725761 661595411 /nfs/dbraw/zinc/59/54/11/661595411.db2.gz WOVPYEIZJVRBNT-OAHLLOKOSA-N 1 3 352.479 -0.042 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000884782161 661595760 /nfs/dbraw/zinc/59/57/60/661595760.db2.gz LVUGKLCIUYXEJQ-UHFFFAOYSA-N 1 3 351.495 -0.388 20 0 FBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000884787060 661595723 /nfs/dbraw/zinc/59/57/23/661595723.db2.gz FRFPBYKSZVIYNV-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000884787061 661596103 /nfs/dbraw/zinc/59/61/03/661596103.db2.gz FRFPBYKSZVIYNV-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787152 661595931 /nfs/dbraw/zinc/59/59/31/661595931.db2.gz ISXWTYSHOFFVMP-CABCVRRESA-N 1 3 352.479 -0.138 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787153 661596063 /nfs/dbraw/zinc/59/60/63/661596063.db2.gz ISXWTYSHOFFVMP-GJZGRUSLSA-N 1 3 352.479 -0.138 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787154 661596095 /nfs/dbraw/zinc/59/60/95/661596095.db2.gz ISXWTYSHOFFVMP-HUUCEWRRSA-N 1 3 352.479 -0.138 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000884787155 661595901 /nfs/dbraw/zinc/59/59/01/661595901.db2.gz ISXWTYSHOFFVMP-LSDHHAIUSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC000884787352 661595992 /nfs/dbraw/zinc/59/59/92/661595992.db2.gz ORLATOXKFFDDPB-DHSIGJKJSA-N 1 3 350.463 -0.576 20 0 FBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C2 ZINC000884787353 661596139 /nfs/dbraw/zinc/59/61/39/661596139.db2.gz ORLATOXKFFDDPB-JCKWVBRZSA-N 1 3 350.463 -0.576 20 0 FBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884791140 661596085 /nfs/dbraw/zinc/59/60/85/661596085.db2.gz FCPWRAZEFFVJFS-MRXNPFEDSA-N 1 3 353.511 -0.286 20 0 FBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884810362 661596026 /nfs/dbraw/zinc/59/60/26/661596026.db2.gz BBEXYTFBICABRS-JKSUJKDBSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C[NH2+]1 ZINC000884815447 661596256 /nfs/dbraw/zinc/59/62/56/661596256.db2.gz BFDONSMIKOFLOI-CABCVRRESA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C[NH2+]1 ZINC000884815449 661596432 /nfs/dbraw/zinc/59/64/32/661596432.db2.gz BFDONSMIKOFLOI-GJZGRUSLSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C[NH2+]1 ZINC000884815451 661596570 /nfs/dbraw/zinc/59/65/70/661596570.db2.gz BFDONSMIKOFLOI-HUUCEWRRSA-N 1 3 351.495 -0.519 20 0 FBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C[NH2+]1 ZINC000884815452 661596465 /nfs/dbraw/zinc/59/64/65/661596465.db2.gz BFDONSMIKOFLOI-LSDHHAIUSA-N 1 3 351.495 -0.519 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(N)cc(F)c1 ZINC000885126096 661599212 /nfs/dbraw/zinc/59/92/12/661599212.db2.gz VZIHEPSGAAXQMY-UHFFFAOYSA-N 1 3 353.442 -0.024 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138284 661599492 /nfs/dbraw/zinc/59/94/92/661599492.db2.gz VIKVHJOETNUORR-CABCVRRESA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138285 661599622 /nfs/dbraw/zinc/59/96/22/661599622.db2.gz VIKVHJOETNUORR-GJZGRUSLSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138286 661599570 /nfs/dbraw/zinc/59/95/70/661599570.db2.gz VIKVHJOETNUORR-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885138287 661599448 /nfs/dbraw/zinc/59/94/48/661599448.db2.gz VIKVHJOETNUORR-LSDHHAIUSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140714 661599463 /nfs/dbraw/zinc/59/94/63/661599463.db2.gz XDTNGBGVBUFGGS-HNNXBMFYSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140715 661599525 /nfs/dbraw/zinc/59/95/25/661599525.db2.gz XDTNGBGVBUFGGS-OAHLLOKOSA-N 1 3 352.479 -0.186 20 0 FBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140970 661599595 /nfs/dbraw/zinc/59/95/95/661599595.db2.gz DNCQGYYJKUCRPO-CABCVRRESA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140971 661599512 /nfs/dbraw/zinc/59/95/12/661599512.db2.gz DNCQGYYJKUCRPO-GJZGRUSLSA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140972 661599472 /nfs/dbraw/zinc/59/94/72/661599472.db2.gz DNCQGYYJKUCRPO-HUUCEWRRSA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885140973 661599534 /nfs/dbraw/zinc/59/95/34/661599534.db2.gz DNCQGYYJKUCRPO-LSDHHAIUSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885148369 661599802 /nfs/dbraw/zinc/59/98/02/661599802.db2.gz MXFUHHHXXBDWNE-HNNXBMFYSA-N 1 3 352.479 -0.185 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885148370 661599827 /nfs/dbraw/zinc/59/98/27/661599827.db2.gz MXFUHHHXXBDWNE-OAHLLOKOSA-N 1 3 352.479 -0.185 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885199239 661600104 /nfs/dbraw/zinc/60/01/04/661600104.db2.gz QRROARWVPVBNEA-UHFFFAOYSA-N 1 3 355.483 -0.757 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885280415 661600926 /nfs/dbraw/zinc/60/09/26/661600926.db2.gz OSMVVQDZCXSNNE-GFCCVEGCSA-N 1 3 350.410 -0.616 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885280416 661600974 /nfs/dbraw/zinc/60/09/74/661600974.db2.gz OSMVVQDZCXSNNE-LBPRGKRZSA-N 1 3 350.410 -0.616 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCN2C2CCOCC2)CC1=O ZINC000885870062 661604746 /nfs/dbraw/zinc/60/47/46/661604746.db2.gz YFMBONKZTHKGLE-GDBMZVCRSA-N 1 3 352.479 -0.234 20 0 FBADHO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCN2C2CCOCC2)CC1=O ZINC000885870063 661604923 /nfs/dbraw/zinc/60/49/23/661604923.db2.gz YFMBONKZTHKGLE-GOEBONIOSA-N 1 3 352.479 -0.234 20 0 FBADHO C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1=O ZINC000885870064 661604910 /nfs/dbraw/zinc/60/49/10/661604910.db2.gz YFMBONKZTHKGLE-HOCLYGCPSA-N 1 3 352.479 -0.234 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1=O ZINC000885870065 661604778 /nfs/dbraw/zinc/60/47/78/661604778.db2.gz YFMBONKZTHKGLE-ZBFHGGJFSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(C)S(=O)(=O)C1(CNC2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000886734919 661615493 /nfs/dbraw/zinc/61/54/93/661615493.db2.gz SYZGGQSNJPBJDB-UHFFFAOYSA-N 1 3 374.551 -0.203 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1=O ZINC000889771276 661625167 /nfs/dbraw/zinc/62/51/67/661625167.db2.gz ZELDIJUYKPFJQP-BZUAXINKSA-N 1 3 352.479 -0.546 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1=O ZINC000889771277 661625353 /nfs/dbraw/zinc/62/53/53/661625353.db2.gz ZELDIJUYKPFJQP-OAGGEKHMSA-N 1 3 352.479 -0.546 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1=O ZINC000889771278 661625130 /nfs/dbraw/zinc/62/51/30/661625130.db2.gz ZELDIJUYKPFJQP-OWCLPIDISA-N 1 3 352.479 -0.546 20 0 FBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1=O ZINC000889771279 661625208 /nfs/dbraw/zinc/62/52/08/661625208.db2.gz ZELDIJUYKPFJQP-PMPSAXMXSA-N 1 3 352.479 -0.546 20 0 FBADHO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000890493559 661628234 /nfs/dbraw/zinc/62/82/34/661628234.db2.gz ZKZZOTYVADPFBY-TUVASFSCSA-N 1 3 360.524 -0.200 20 0 FBADHO COCCN(C)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891493665 657446665 /nfs/dbraw/zinc/44/66/65/657446665.db2.gz XSGSYYLTZFWFTE-MCIONIFRSA-N 1 3 355.439 -0.859 20 0 FBADHO COCCN(C)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891493666 657446736 /nfs/dbraw/zinc/44/67/36/657446736.db2.gz XSGSYYLTZFWFTE-MJBXVCDLSA-N 1 3 355.439 -0.859 20 0 FBADHO COCC[NH2+]CCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892056484 657507117 /nfs/dbraw/zinc/50/71/17/657507117.db2.gz SPSRLTGYIZCBQS-UHFFFAOYSA-N 1 3 355.483 -0.262 20 0 FBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000892183362 657514977 /nfs/dbraw/zinc/51/49/77/657514977.db2.gz GKHKSTRYRWDSCH-AWEZNQCLSA-N 1 3 353.467 -0.510 20 0 FBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000892183363 657514598 /nfs/dbraw/zinc/51/45/98/657514598.db2.gz GKHKSTRYRWDSCH-CQSZACIVSA-N 1 3 353.467 -0.510 20 0 FBADHO C[NH2+]CCOCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000892280308 657548689 /nfs/dbraw/zinc/54/86/89/657548689.db2.gz JQOQBZMWYYVCHG-UHFFFAOYSA-N 1 3 355.483 -0.262 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000894494101 658981054 /nfs/dbraw/zinc/98/10/54/658981054.db2.gz CBVQXTIGKVLRRG-NSHDSACASA-N 1 3 351.455 -0.356 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000894494101 658981049 /nfs/dbraw/zinc/98/10/49/658981049.db2.gz CBVQXTIGKVLRRG-NSHDSACASA-N 1 3 351.455 -0.356 20 0 FBADHO CN1CCN(C)CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000894600486 658982088 /nfs/dbraw/zinc/98/20/88/658982088.db2.gz AFQAOMPNCOUWOG-UHFFFAOYSA-N 1 3 354.543 -0.099 20 0 FBADHO CN1CCN(C)CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000894600486 658982085 /nfs/dbraw/zinc/98/20/85/658982085.db2.gz AFQAOMPNCOUWOG-UHFFFAOYSA-N 1 3 354.543 -0.099 20 0 FBADHO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000897295393 659880531 /nfs/dbraw/zinc/88/05/31/659880531.db2.gz TWEOQENQQMRTAM-INIZCTEOSA-N 1 3 353.463 -0.607 20 0 FBADHO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000897295394 659880459 /nfs/dbraw/zinc/88/04/59/659880459.db2.gz TWEOQENQQMRTAM-MRXNPFEDSA-N 1 3 353.463 -0.607 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000897465294 659946155 /nfs/dbraw/zinc/94/61/55/659946155.db2.gz WOIGKQYTNSAMFG-INIZCTEOSA-N 1 3 353.511 -0.269 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000897465295 659946042 /nfs/dbraw/zinc/94/60/42/659946042.db2.gz WOIGKQYTNSAMFG-MRXNPFEDSA-N 1 3 353.511 -0.269 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000897493715 659948191 /nfs/dbraw/zinc/94/81/91/659948191.db2.gz HQONGHBTQCPDAB-CVEARBPZSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000897493719 659948251 /nfs/dbraw/zinc/94/82/51/659948251.db2.gz HQONGHBTQCPDAB-HOTGVXAUSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000897493722 659948292 /nfs/dbraw/zinc/94/82/92/659948292.db2.gz HQONGHBTQCPDAB-HZPDHXFCSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000897493726 659948225 /nfs/dbraw/zinc/94/82/25/659948225.db2.gz HQONGHBTQCPDAB-JKSUJKDBSA-N 1 3 353.511 -0.413 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000897721676 659972887 /nfs/dbraw/zinc/97/28/87/659972887.db2.gz ROSXRCACTDUXLX-GDBMZVCRSA-N 1 3 351.495 -0.519 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000897721676 659972885 /nfs/dbraw/zinc/97/28/85/659972885.db2.gz ROSXRCACTDUXLX-GDBMZVCRSA-N 1 3 351.495 -0.519 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000897721677 659972957 /nfs/dbraw/zinc/97/29/57/659972957.db2.gz ROSXRCACTDUXLX-GOEBONIOSA-N 1 3 351.495 -0.519 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000897721677 659972955 /nfs/dbraw/zinc/97/29/55/659972955.db2.gz ROSXRCACTDUXLX-GOEBONIOSA-N 1 3 351.495 -0.519 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000897721678 659972850 /nfs/dbraw/zinc/97/28/50/659972850.db2.gz ROSXRCACTDUXLX-HOCLYGCPSA-N 1 3 351.495 -0.519 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000897721678 659972849 /nfs/dbraw/zinc/97/28/49/659972849.db2.gz ROSXRCACTDUXLX-HOCLYGCPSA-N 1 3 351.495 -0.519 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000897721679 659972939 /nfs/dbraw/zinc/97/29/39/659972939.db2.gz ROSXRCACTDUXLX-ZBFHGGJFSA-N 1 3 351.495 -0.519 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000897721679 659972936 /nfs/dbraw/zinc/97/29/36/659972936.db2.gz ROSXRCACTDUXLX-ZBFHGGJFSA-N 1 3 351.495 -0.519 20 0 FBADHO CN1CC[C@H](N2CCC(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)C1=O ZINC000897757631 659973132 /nfs/dbraw/zinc/97/31/32/659973132.db2.gz ZOXYIWLDZUJXGM-CVEARBPZSA-N 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CN1CC[C@@H](N2CCC(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)C1=O ZINC000897757634 659973278 /nfs/dbraw/zinc/97/32/78/659973278.db2.gz ZOXYIWLDZUJXGM-JKSUJKDBSA-N 1 3 350.463 -0.482 20 0 FBADHO CN1CC[C@@H]([NH+]2CCC(NC(=O)C3CN([C@H]4CCOC4)C3)CC2)C1=O ZINC000897757634 659973276 /nfs/dbraw/zinc/97/32/76/659973276.db2.gz ZOXYIWLDZUJXGM-JKSUJKDBSA-N 1 3 350.463 -0.482 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)C3CN(S(C)(=O)=O)C3)CC2)CC1 ZINC000900445756 662278316 /nfs/dbraw/zinc/27/83/16/662278316.db2.gz LAUZWWCLBXSDLV-UHFFFAOYSA-N 1 3 358.508 -0.447 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900496719 662279812 /nfs/dbraw/zinc/27/98/12/662279812.db2.gz JIMZGHWEVADJIU-CRAIPNDOSA-N 1 3 354.495 -0.108 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900496719 662279810 /nfs/dbraw/zinc/27/98/10/662279810.db2.gz JIMZGHWEVADJIU-CRAIPNDOSA-N 1 3 354.495 -0.108 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900496720 662280013 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C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000900504235 662280037 /nfs/dbraw/zinc/28/00/37/662280037.db2.gz HFGUQNIYZDASHL-QAPCUYQASA-N 1 3 352.479 -0.226 20 0 FBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504236 662279954 /nfs/dbraw/zinc/27/99/54/662279954.db2.gz HFGUQNIYZDASHL-YJBOKZPZSA-N 1 3 352.479 -0.226 20 0 FBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000900504236 662279950 /nfs/dbraw/zinc/27/99/50/662279950.db2.gz HFGUQNIYZDASHL-YJBOKZPZSA-N 1 3 352.479 -0.226 20 0 FBADHO CN(C)CCn1nccc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000900513436 662280161 /nfs/dbraw/zinc/28/01/61/662280161.db2.gz WQOWUTZXRMZOFW-AWEZNQCLSA-N 1 3 350.467 -0.238 20 0 FBADHO CN(C)CCn1nccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000900513436 662280160 /nfs/dbraw/zinc/28/01/60/662280160.db2.gz WQOWUTZXRMZOFW-AWEZNQCLSA-N 1 3 350.467 -0.238 20 0 FBADHO CN(C)CCn1nccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000900513437 662280288 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FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900575451 662280994 /nfs/dbraw/zinc/28/09/94/662280994.db2.gz XRMRRIRBRKGMPH-GOSISDBHSA-N 1 3 354.495 -0.154 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900575451 662280991 /nfs/dbraw/zinc/28/09/91/662280991.db2.gz XRMRRIRBRKGMPH-GOSISDBHSA-N 1 3 354.495 -0.154 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900575452 662281054 /nfs/dbraw/zinc/28/10/54/662281054.db2.gz XRMRRIRBRKGMPH-SFHVURJKSA-N 1 3 354.495 -0.154 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900575452 662281049 /nfs/dbraw/zinc/28/10/49/662281049.db2.gz XRMRRIRBRKGMPH-SFHVURJKSA-N 1 3 354.495 -0.154 20 0 FBADHO CC(C)N1CC[NH+](CCC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000900686173 662284681 /nfs/dbraw/zinc/28/46/81/662284681.db2.gz KBJXBGZMWUBRGN-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO C[NH+]1CCC(CNC(=O)C2CN(S(C)(=O)=O)C2)(N2CCCCC2)CC1 ZINC000900857684 662289795 /nfs/dbraw/zinc/28/97/95/662289795.db2.gz JCHHGCVJZIJAEK-UHFFFAOYSA-N 1 3 372.535 -0.056 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901107502 662300381 /nfs/dbraw/zinc/30/03/81/662300381.db2.gz XJXBLJJFKLNFAP-CRAIPNDOSA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901107502 662300378 /nfs/dbraw/zinc/30/03/78/662300378.db2.gz XJXBLJJFKLNFAP-CRAIPNDOSA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901107506 662300455 /nfs/dbraw/zinc/30/04/55/662300455.db2.gz XJXBLJJFKLNFAP-MAUKXSAKSA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901107506 662300454 /nfs/dbraw/zinc/30/04/54/662300454.db2.gz XJXBLJJFKLNFAP-MAUKXSAKSA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901107507 662300515 /nfs/dbraw/zinc/30/05/15/662300515.db2.gz XJXBLJJFKLNFAP-QAPCUYQASA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901107507 662300513 /nfs/dbraw/zinc/30/05/13/662300513.db2.gz XJXBLJJFKLNFAP-QAPCUYQASA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000901107508 662300418 /nfs/dbraw/zinc/30/04/18/662300418.db2.gz XJXBLJJFKLNFAP-YJBOKZPZSA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901107508 662300416 /nfs/dbraw/zinc/30/04/16/662300416.db2.gz XJXBLJJFKLNFAP-YJBOKZPZSA-N 1 3 352.479 -0.402 20 0 FBADHO COC(=O)CN(C)C(=O)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506650 662348087 /nfs/dbraw/zinc/34/80/87/662348087.db2.gz DAHCEEVFRUIUJY-IYBDPMFKSA-N 1 3 352.479 -0.092 20 0 FBADHO COC(=O)CN(C)C(=O)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506650 662348084 /nfs/dbraw/zinc/34/80/84/662348084.db2.gz DAHCEEVFRUIUJY-IYBDPMFKSA-N 1 3 352.479 -0.092 20 0 FBADHO COCCCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508642 662348097 /nfs/dbraw/zinc/34/80/97/662348097.db2.gz PHDPOGAPXGJDLX-CALCHBBNSA-N 1 3 374.551 -0.157 20 0 FBADHO COCCCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508642 662348096 /nfs/dbraw/zinc/34/80/96/662348096.db2.gz PHDPOGAPXGJDLX-CALCHBBNSA-N 1 3 374.551 -0.157 20 0 FBADHO O=S(=O)(C[C@H]1CNCCO1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903561030 662349712 /nfs/dbraw/zinc/34/97/12/662349712.db2.gz COHHVHBNZJOCNM-OWCLPIDISA-N 1 3 358.508 -0.795 20 0 FBADHO O=S(=O)(C[C@@H]1CNCCO1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903561031 662349861 /nfs/dbraw/zinc/34/98/61/662349861.db2.gz COHHVHBNZJOCNM-XHSDSOJGSA-N 1 3 358.508 -0.795 20 0 FBADHO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCNCC1 ZINC000903574471 662350096 /nfs/dbraw/zinc/35/00/96/662350096.db2.gz RZDKGFXYMLAWLQ-GDBMZVCRSA-N 1 3 352.460 -0.018 20 0 FBADHO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCNCC1 ZINC000903574472 662350029 /nfs/dbraw/zinc/35/00/29/662350029.db2.gz RZDKGFXYMLAWLQ-GOEBONIOSA-N 1 3 352.460 -0.018 20 0 FBADHO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCNCC1 ZINC000903574473 662350139 /nfs/dbraw/zinc/35/01/39/662350139.db2.gz RZDKGFXYMLAWLQ-HOCLYGCPSA-N 1 3 352.460 -0.018 20 0 FBADHO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCNCC1 ZINC000903574474 662350188 /nfs/dbraw/zinc/35/01/88/662350188.db2.gz RZDKGFXYMLAWLQ-ZBFHGGJFSA-N 1 3 352.460 -0.018 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903719393 662355018 /nfs/dbraw/zinc/35/50/18/662355018.db2.gz KHYLQLMEIRXUFI-IYBDPMFKSA-N 1 3 351.495 -0.566 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000903732151 662355943 /nfs/dbraw/zinc/35/59/43/662355943.db2.gz PYWQBHCEHGSYIW-BZUAXINKSA-N 1 3 354.495 -0.001 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@H]1CC[NH3+] ZINC000903732152 662355965 /nfs/dbraw/zinc/35/59/65/662355965.db2.gz PYWQBHCEHGSYIW-OAGGEKHMSA-N 1 3 354.495 -0.001 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903738556 662356324 /nfs/dbraw/zinc/35/63/24/662356324.db2.gz OLUSCINJHKZTAK-NEPJUHHUSA-N 1 3 368.400 -0.239 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903738557 662356519 /nfs/dbraw/zinc/35/65/19/662356519.db2.gz OLUSCINJHKZTAK-NWDGAFQWSA-N 1 3 368.400 -0.239 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903738558 662356247 /nfs/dbraw/zinc/35/62/47/662356247.db2.gz OLUSCINJHKZTAK-RYUDHWBXSA-N 1 3 368.400 -0.239 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903738559 662356428 /nfs/dbraw/zinc/35/64/28/662356428.db2.gz OLUSCINJHKZTAK-VXGBXAGGSA-N 1 3 368.400 -0.239 20 0 FBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903738798 662356401 /nfs/dbraw/zinc/35/64/01/662356401.db2.gz VUGXDZOUTRGHGK-GHMZBOCLSA-N 1 3 354.373 -0.629 20 0 FBADHO COCCOCCOCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903769528 660425692 /nfs/dbraw/zinc/42/56/92/660425692.db2.gz INXQBYIQYAFPNU-CVEARBPZSA-N 1 3 357.451 -0.077 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C(C)(C)C3)CC2)CC1 ZINC000903776153 662360288 /nfs/dbraw/zinc/36/02/88/662360288.db2.gz KIPBGXPRXVKFQZ-HNNXBMFYSA-N 1 3 351.495 -0.580 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C(C)(C)C3)CC2)CC1 ZINC000903776155 662360189 /nfs/dbraw/zinc/36/01/89/662360189.db2.gz KIPBGXPRXVKFQZ-OAHLLOKOSA-N 1 3 351.495 -0.580 20 0 FBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000903783097 662360703 /nfs/dbraw/zinc/36/07/03/662360703.db2.gz NQMXUTDLSBEGPF-INIZCTEOSA-N 1 3 353.511 -0.317 20 0 FBADHO CN1CCN(S(=O)(=O)N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000903903132 662364032 /nfs/dbraw/zinc/36/40/32/662364032.db2.gz GEMNEFCEWDABRC-ALOPSCKCSA-N 1 3 371.551 -0.373 20 0 FBADHO O=S(=O)(N1CCOCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904407 662363893 /nfs/dbraw/zinc/36/38/93/662363893.db2.gz UJYLCHONMHZUIA-MQVJKMGUSA-N 1 3 358.508 -0.288 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904979553 660008737 /nfs/dbraw/zinc/00/87/37/660008737.db2.gz FOACFQUIDPMNLX-UHFFFAOYSA-N 1 3 352.479 -0.090 20 0 FBADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCNCCC23CCOCC3)C1 ZINC000904982327 660008705 /nfs/dbraw/zinc/00/87/05/660008705.db2.gz JIEWDZVLFUBQOD-HNNXBMFYSA-N 1 3 352.479 -0.090 20 0 FBADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCNCCC23CCOCC3)C1 ZINC000904982329 660008770 /nfs/dbraw/zinc/00/87/70/660008770.db2.gz JIEWDZVLFUBQOD-OAHLLOKOSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904982839 660009084 /nfs/dbraw/zinc/00/90/84/660009084.db2.gz KTTCOHCVDYEYRK-UHFFFAOYSA-N 1 3 352.479 -0.088 20 0 FBADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000904988473 660011498 /nfs/dbraw/zinc/01/14/98/660011498.db2.gz UJVSEYOGPIMFLB-INIZCTEOSA-N 1 3 352.479 -0.090 20 0 FBADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000904988475 660011592 /nfs/dbraw/zinc/01/15/92/660011592.db2.gz UJVSEYOGPIMFLB-MRXNPFEDSA-N 1 3 352.479 -0.090 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905008269 660010177 /nfs/dbraw/zinc/01/01/77/660010177.db2.gz ONWDMIXUEKDOGC-CRAIPNDOSA-N 1 3 351.495 -0.578 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905008276 660010049 /nfs/dbraw/zinc/01/00/49/660010049.db2.gz ONWDMIXUEKDOGC-MAUKXSAKSA-N 1 3 351.495 -0.578 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905008279 660010364 /nfs/dbraw/zinc/01/03/64/660010364.db2.gz ONWDMIXUEKDOGC-QAPCUYQASA-N 1 3 351.495 -0.578 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905008282 660010291 /nfs/dbraw/zinc/01/02/91/660010291.db2.gz ONWDMIXUEKDOGC-YJBOKZPZSA-N 1 3 351.495 -0.578 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905011912 660010405 /nfs/dbraw/zinc/01/04/05/660010405.db2.gz LORIXOYWAGAYFG-GOSISDBHSA-N 1 3 351.495 -0.563 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905011913 660010342 /nfs/dbraw/zinc/01/03/42/660010342.db2.gz LORIXOYWAGAYFG-SFHVURJKSA-N 1 3 351.495 -0.563 20 0 FBADHO CCN(CC)CC(=O)N1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905338923 660016850 /nfs/dbraw/zinc/01/68/50/660016850.db2.gz CRNMQOJHZMIGJW-UHFFFAOYSA-N 1 3 360.524 -0.198 20 0 FBADHO O=C(CN1CCCC1)N1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905341095 660016972 /nfs/dbraw/zinc/01/69/72/660016972.db2.gz UTGZLOBHCWNWIB-UHFFFAOYSA-N 1 3 358.508 -0.444 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906219607 660020045 /nfs/dbraw/zinc/02/00/45/660020045.db2.gz SFDNJNSKHCXPJO-UHFFFAOYSA-N 1 3 350.467 -0.560 20 0 FBADHO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000906714152 660021974 /nfs/dbraw/zinc/02/19/74/660021974.db2.gz PKVVGHBTIJDYIB-KRWDZBQOSA-N 1 3 353.511 -0.998 20 0 FBADHO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000906714152 660021973 /nfs/dbraw/zinc/02/19/73/660021973.db2.gz PKVVGHBTIJDYIB-KRWDZBQOSA-N 1 3 353.511 -0.998 20 0 FBADHO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000906714153 660021841 /nfs/dbraw/zinc/02/18/41/660021841.db2.gz PKVVGHBTIJDYIB-QGZVFWFLSA-N 1 3 353.511 -0.998 20 0 FBADHO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000906714153 660021839 /nfs/dbraw/zinc/02/18/39/660021839.db2.gz PKVVGHBTIJDYIB-QGZVFWFLSA-N 1 3 353.511 -0.998 20 0 FBADHO CCN(CC)C(=O)CN1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000908158241 660034444 /nfs/dbraw/zinc/03/44/44/660034444.db2.gz YCSJHWPTZZQJJG-CRAIPNDOSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)C(=O)CN1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000908158241 660034443 /nfs/dbraw/zinc/03/44/43/660034443.db2.gz YCSJHWPTZZQJJG-CRAIPNDOSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)C(=O)CN1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000908158242 660034418 /nfs/dbraw/zinc/03/44/18/660034418.db2.gz YCSJHWPTZZQJJG-MAUKXSAKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)C(=O)CN1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000908158242 660034415 /nfs/dbraw/zinc/03/44/15/660034415.db2.gz YCSJHWPTZZQJJG-MAUKXSAKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)C(=O)CN1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000908158243 660034493 /nfs/dbraw/zinc/03/44/93/660034493.db2.gz YCSJHWPTZZQJJG-QAPCUYQASA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)C(=O)CN1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000908158243 660034490 /nfs/dbraw/zinc/03/44/90/660034490.db2.gz YCSJHWPTZZQJJG-QAPCUYQASA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)C(=O)CN1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000908158244 660034477 /nfs/dbraw/zinc/03/44/77/660034477.db2.gz YCSJHWPTZZQJJG-YJBOKZPZSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)C(=O)CN1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000908158244 660034475 /nfs/dbraw/zinc/03/44/75/660034475.db2.gz YCSJHWPTZZQJJG-YJBOKZPZSA-N 1 3 354.495 -0.110 20 0 FBADHO CN1CC[C@H](N2CCC(NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C1=O ZINC000908185493 660035027 /nfs/dbraw/zinc/03/50/27/660035027.db2.gz QHSBOUDQESJZPL-INIZCTEOSA-N 1 3 351.495 -0.709 20 0 FBADHO CN1CC[C@H](N2CCC(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)C1=O ZINC000908185493 660035025 /nfs/dbraw/zinc/03/50/25/660035025.db2.gz QHSBOUDQESJZPL-INIZCTEOSA-N 1 3 351.495 -0.709 20 0 FBADHO CN1CC[C@@H](N2CCC(NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C1=O ZINC000908185494 660034957 /nfs/dbraw/zinc/03/49/57/660034957.db2.gz QHSBOUDQESJZPL-MRXNPFEDSA-N 1 3 351.495 -0.709 20 0 FBADHO CN1CC[C@@H](N2CCC(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)C1=O ZINC000908185494 660034953 /nfs/dbraw/zinc/03/49/53/660034953.db2.gz QHSBOUDQESJZPL-MRXNPFEDSA-N 1 3 351.495 -0.709 20 0 FBADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000908599665 660036950 /nfs/dbraw/zinc/03/69/50/660036950.db2.gz XRZICVRJFYMSMN-HNNXBMFYSA-N 1 3 354.495 -0.252 20 0 FBADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000908599666 660036964 /nfs/dbraw/zinc/03/69/64/660036964.db2.gz XRZICVRJFYMSMN-OAHLLOKOSA-N 1 3 354.495 -0.252 20 0 FBADHO O=C(CNC(=O)C1C[NH+](C2CCOCC2)C1)NCCN1CCCCC1 ZINC000909313520 660038534 /nfs/dbraw/zinc/03/85/34/660038534.db2.gz PXCDHMQKIJPDJB-UHFFFAOYSA-N 1 3 352.479 -0.185 20 0 FBADHO C[NH+](C)CCn1ccc(C(=O)NCC(=O)NCCN2CCCCC2)n1 ZINC000909314507 660038565 /nfs/dbraw/zinc/03/85/65/660038565.db2.gz AXEMIINJXSTKTI-UHFFFAOYSA-N 1 3 350.467 -0.223 20 0 FBADHO CN(C)CCn1nccc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909316417 660038603 /nfs/dbraw/zinc/03/86/03/660038603.db2.gz XEULXYDCSHUYSH-UHFFFAOYSA-N 1 3 350.467 -0.223 20 0 FBADHO C[NH+](C)CCn1cc(C(=O)NCC(=O)NCCN2CCCCC2)cn1 ZINC000909316430 660038524 /nfs/dbraw/zinc/03/85/24/660038524.db2.gz XRUCWXVNXNCXKJ-UHFFFAOYSA-N 1 3 350.467 -0.223 20 0 FBADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368603 658794609 /nfs/dbraw/zinc/79/46/09/658794609.db2.gz WRLCYGUAGPAXAL-INIZCTEOSA-N 1 3 351.495 -0.707 20 0 FBADHO CN1CC[N@H+](C)CC(C(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368603 658794604 /nfs/dbraw/zinc/79/46/04/658794604.db2.gz WRLCYGUAGPAXAL-INIZCTEOSA-N 1 3 351.495 -0.707 20 0 FBADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368604 658794508 /nfs/dbraw/zinc/79/45/08/658794508.db2.gz WRLCYGUAGPAXAL-MRXNPFEDSA-N 1 3 351.495 -0.707 20 0 FBADHO CN1CC[N@H+](C)CC(C(=O)N2CCN([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000909368604 658794501 /nfs/dbraw/zinc/79/45/01/658794501.db2.gz WRLCYGUAGPAXAL-MRXNPFEDSA-N 1 3 351.495 -0.707 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(S(N)(=O)=O)C3)CC2)CC1 ZINC000910531160 660040303 /nfs/dbraw/zinc/04/03/03/660040303.db2.gz PPPPCJNMRVOTIT-UHFFFAOYSA-N 1 3 358.508 -0.318 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000910576618 660041108 /nfs/dbraw/zinc/04/11/08/660041108.db2.gz YINKBYFXYDDICA-INIZCTEOSA-N 1 3 353.511 -0.319 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000910576618 660041107 /nfs/dbraw/zinc/04/11/07/660041107.db2.gz YINKBYFXYDDICA-INIZCTEOSA-N 1 3 353.511 -0.319 20 0 FBADHO CCN1CC[C@H]1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000910576618 660041105 /nfs/dbraw/zinc/04/11/05/660041105.db2.gz YINKBYFXYDDICA-INIZCTEOSA-N 1 3 353.511 -0.319 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000910576620 660041102 /nfs/dbraw/zinc/04/11/02/660041102.db2.gz YINKBYFXYDDICA-MRXNPFEDSA-N 1 3 353.511 -0.319 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000910576620 660041100 /nfs/dbraw/zinc/04/11/00/660041100.db2.gz YINKBYFXYDDICA-MRXNPFEDSA-N 1 3 353.511 -0.319 20 0 FBADHO CCN1CC[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000910576620 660041098 /nfs/dbraw/zinc/04/10/98/660041098.db2.gz YINKBYFXYDDICA-MRXNPFEDSA-N 1 3 353.511 -0.319 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000910614232 660041972 /nfs/dbraw/zinc/04/19/72/660041972.db2.gz VHMGHSREWUFKCA-CVEARBPZSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000910614233 660041838 /nfs/dbraw/zinc/04/18/38/660041838.db2.gz VHMGHSREWUFKCA-HOTGVXAUSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000910614234 660041845 /nfs/dbraw/zinc/04/18/45/660041845.db2.gz VHMGHSREWUFKCA-HZPDHXFCSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000910614235 660041968 /nfs/dbraw/zinc/04/19/68/660041968.db2.gz VHMGHSREWUFKCA-JKSUJKDBSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)[C@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)c1cccs1 ZINC000910951776 660056319 /nfs/dbraw/zinc/05/63/19/660056319.db2.gz DWEKQBFZIFIRSQ-CYBMUJFWSA-N 1 3 353.492 -0.512 20 0 FBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)c1cccs1 ZINC000910951777 660056216 /nfs/dbraw/zinc/05/62/16/660056216.db2.gz DWEKQBFZIFIRSQ-ZDUSSCGKSA-N 1 3 353.492 -0.512 20 0 FBADHO CC(C)(CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCCCC1 ZINC000910959779 660056678 /nfs/dbraw/zinc/05/66/78/660056678.db2.gz RGWFFEWSMNRLPX-UHFFFAOYSA-N 1 3 353.511 -0.094 20 0 FBADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCNCCC23CCOCC3)CC1 ZINC000910963243 660056712 /nfs/dbraw/zinc/05/67/12/660056712.db2.gz KLDAGDAXSXKAJF-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCNCCNCC2)CCCCCC1 ZINC000910994774 660057717 /nfs/dbraw/zinc/05/77/17/660057717.db2.gz ZHPGXZBNOONPRK-UHFFFAOYSA-N 1 3 353.511 -0.221 20 0 FBADHO O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CCNCCNCC1 ZINC000911000187 660057890 /nfs/dbraw/zinc/05/78/90/660057890.db2.gz DQEOOHTYFJWNQS-UHFFFAOYSA-N 1 3 353.511 -0.220 20 0 FBADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCNCCNCC2)([NH+](C)C)C1 ZINC000911001553 660057911 /nfs/dbraw/zinc/05/79/11/660057911.db2.gz WXZBWSPVAJDOOO-CRAIPNDOSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CCNCCNCC2)([NH+](C)C)C1 ZINC000911001555 660057805 /nfs/dbraw/zinc/05/78/05/660057805.db2.gz WXZBWSPVAJDOOO-MAUKXSAKSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCNCCNCC2)([NH+](C)C)C1 ZINC000911001556 660057877 /nfs/dbraw/zinc/05/78/77/660057877.db2.gz WXZBWSPVAJDOOO-QAPCUYQASA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H]1CCC[C@](CNC(=O)C(=O)N2CCNCCNCC2)([NH+](C)C)C1 ZINC000911001557 660057917 /nfs/dbraw/zinc/05/79/17/660057917.db2.gz WXZBWSPVAJDOOO-YJBOKZPZSA-N 1 3 353.511 -0.366 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000911003834 660058162 /nfs/dbraw/zinc/05/81/62/660058162.db2.gz LOZRVVCJBUVLBM-CRAIPNDOSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027132 660057862 /nfs/dbraw/zinc/05/78/62/660057862.db2.gz COWNCEXEAHKHHY-CABCVRRESA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027134 660057946 /nfs/dbraw/zinc/05/79/46/660057946.db2.gz COWNCEXEAHKHHY-GJZGRUSLSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027504 660057937 /nfs/dbraw/zinc/05/79/37/660057937.db2.gz COWNCEXEAHKHHY-HUUCEWRRSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911027505 660057832 /nfs/dbraw/zinc/05/78/32/660057832.db2.gz COWNCEXEAHKHHY-LSDHHAIUSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911030152 660058780 /nfs/dbraw/zinc/05/87/80/660058780.db2.gz ROOXZPCJTPGFNN-BZUAXINKSA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911030153 660058947 /nfs/dbraw/zinc/05/89/47/660058947.db2.gz ROOXZPCJTPGFNN-OAGGEKHMSA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911030154 660058941 /nfs/dbraw/zinc/05/89/41/660058941.db2.gz ROOXZPCJTPGFNN-OWCLPIDISA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911030154 660058939 /nfs/dbraw/zinc/05/89/39/660058939.db2.gz ROOXZPCJTPGFNN-OWCLPIDISA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911030155 660059016 /nfs/dbraw/zinc/05/90/16/660059016.db2.gz ROOXZPCJTPGFNN-XHSDSOJGSA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911030155 660059014 /nfs/dbraw/zinc/05/90/14/660059014.db2.gz ROOXZPCJTPGFNN-XHSDSOJGSA-N 1 3 353.511 -0.510 20 0 FBADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911030470 660058932 /nfs/dbraw/zinc/05/89/32/660058932.db2.gz XICZYHUAGKSRBB-HNNXBMFYSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911030470 660058931 /nfs/dbraw/zinc/05/89/31/660058931.db2.gz XICZYHUAGKSRBB-HNNXBMFYSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911030471 660059042 /nfs/dbraw/zinc/05/90/42/660059042.db2.gz XICZYHUAGKSRBB-OAHLLOKOSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911030471 660059041 /nfs/dbraw/zinc/05/90/41/660059041.db2.gz XICZYHUAGKSRBB-OAHLLOKOSA-N 1 3 353.511 -0.366 20 0 FBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911055376 660058824 /nfs/dbraw/zinc/05/88/24/660058824.db2.gz OBMCVAFGFBBCTQ-INIZCTEOSA-N 1 3 353.511 -0.094 20 0 FBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911055377 660058765 /nfs/dbraw/zinc/05/87/65/660058765.db2.gz OBMCVAFGFBBCTQ-MRXNPFEDSA-N 1 3 353.511 -0.094 20 0 FBADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCNCCNCC1)CC(C)C ZINC000911067639 660060601 /nfs/dbraw/zinc/06/06/01/660060601.db2.gz HZLIVOIBYAXNNI-INIZCTEOSA-N 1 3 355.527 -0.120 20 0 FBADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCNCCNCC1)CC(C)C ZINC000911067640 660060594 /nfs/dbraw/zinc/06/05/94/660060594.db2.gz HZLIVOIBYAXNNI-MRXNPFEDSA-N 1 3 355.527 -0.120 20 0 FBADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911080131 660060364 /nfs/dbraw/zinc/06/03/64/660060364.db2.gz MGZUEYVDSURHAG-INIZCTEOSA-N 1 3 353.511 -0.508 20 0 FBADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911080131 660060362 /nfs/dbraw/zinc/06/03/62/660060362.db2.gz MGZUEYVDSURHAG-INIZCTEOSA-N 1 3 353.511 -0.508 20 0 FBADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911080141 660060406 /nfs/dbraw/zinc/06/04/06/660060406.db2.gz MGZUEYVDSURHAG-MRXNPFEDSA-N 1 3 353.511 -0.508 20 0 FBADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911080141 660060403 /nfs/dbraw/zinc/06/04/03/660060403.db2.gz MGZUEYVDSURHAG-MRXNPFEDSA-N 1 3 353.511 -0.508 20 0 FBADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911090861 660061204 /nfs/dbraw/zinc/06/12/04/660061204.db2.gz HTEJOTQNLURZLS-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911090861 660061202 /nfs/dbraw/zinc/06/12/02/660061202.db2.gz HTEJOTQNLURZLS-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911090862 660061235 /nfs/dbraw/zinc/06/12/35/660061235.db2.gz HTEJOTQNLURZLS-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911090862 660061234 /nfs/dbraw/zinc/06/12/34/660061234.db2.gz HTEJOTQNLURZLS-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000911093103 660061181 /nfs/dbraw/zinc/06/11/81/660061181.db2.gz WHFPUGQSGYHPPM-HNNXBMFYSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000911093104 660061175 /nfs/dbraw/zinc/06/11/75/660061175.db2.gz WHFPUGQSGYHPPM-OAHLLOKOSA-N 1 3 353.511 -0.238 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1(C)C ZINC000911095573 660061255 /nfs/dbraw/zinc/06/12/55/660061255.db2.gz CXBCJKWIHUMZBL-GOSISDBHSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1(C)C ZINC000911095574 660061244 /nfs/dbraw/zinc/06/12/44/660061244.db2.gz CXBCJKWIHUMZBL-SFHVURJKSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1(C)C ZINC000911095916 660061249 /nfs/dbraw/zinc/06/12/49/660061249.db2.gz GXZNABVVIDWXOV-KBXCAEBGSA-N 1 3 351.495 -0.532 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1(C)C ZINC000911095917 660061188 /nfs/dbraw/zinc/06/11/88/660061188.db2.gz GXZNABVVIDWXOV-KDOFPFPSSA-N 1 3 351.495 -0.532 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1(C)C ZINC000911095918 660061216 /nfs/dbraw/zinc/06/12/16/660061216.db2.gz GXZNABVVIDWXOV-KSSFIOAISA-N 1 3 351.495 -0.532 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1(C)C ZINC000911095920 660061347 /nfs/dbraw/zinc/06/13/47/660061347.db2.gz GXZNABVVIDWXOV-RDTXWAMCSA-N 1 3 351.495 -0.532 20 0 FBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000911096067 660061462 /nfs/dbraw/zinc/06/14/62/660061462.db2.gz IELPICVFNMVTFX-HUUCEWRRSA-N 1 3 353.511 -0.510 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1(C)C ZINC000911096866 660061367 /nfs/dbraw/zinc/06/13/67/660061367.db2.gz LXAZVEDEZZMSBE-HNNXBMFYSA-N 1 3 353.511 -0.223 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1(C)C ZINC000911096868 660061333 /nfs/dbraw/zinc/06/13/33/660061333.db2.gz LXAZVEDEZZMSBE-OAHLLOKOSA-N 1 3 353.511 -0.223 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1CC[NH3+] ZINC000911097473 660061390 /nfs/dbraw/zinc/06/13/90/660061390.db2.gz QWXXKQMMEWAQNK-HUUCEWRRSA-N 1 3 353.511 -0.428 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1(C)C ZINC000911098175 660061404 /nfs/dbraw/zinc/06/14/04/660061404.db2.gz YVUWOVCAMJUQHO-LSDHHAIUSA-N 1 3 351.495 -0.804 20 0 FBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000911098185 660061450 /nfs/dbraw/zinc/06/14/50/660061450.db2.gz ZBDKJMNBLUNLGS-HNNXBMFYSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[C@H]1C[NH3+] ZINC000911098192 660061471 /nfs/dbraw/zinc/06/14/71/660061471.db2.gz ZCUXWLXOXXYIPA-CABCVRRESA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[C@H]1C[NH3+] ZINC000911098194 660061353 /nfs/dbraw/zinc/06/13/53/660061353.db2.gz ZCUXWLXOXXYIPA-GJZGRUSLSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000911098195 660061512 /nfs/dbraw/zinc/06/15/12/660061512.db2.gz ZCUXWLXOXXYIPA-HUUCEWRRSA-N 1 3 353.511 -0.428 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000911098197 660061321 /nfs/dbraw/zinc/06/13/21/660061321.db2.gz ZCUXWLXOXXYIPA-LSDHHAIUSA-N 1 3 353.511 -0.428 20 0 FBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCNCCC23CCOCC3)CCC1 ZINC000911116663 660062646 /nfs/dbraw/zinc/06/26/46/660062646.db2.gz UCCXXWLOJUSSSS-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CCNCCNCC1 ZINC000911129279 660062118 /nfs/dbraw/zinc/06/21/18/660062118.db2.gz YUXUMNJPFBAARQ-UHFFFAOYSA-N 1 3 351.495 -0.469 20 0 FBADHO Cc1nccn1CCNC(=O)C(=O)NCCCCC[NH+]1CCNCC1 ZINC000911137971 660062339 /nfs/dbraw/zinc/06/23/39/660062339.db2.gz JSJMNYWAALMCDQ-UHFFFAOYSA-N 1 3 350.467 -0.501 20 0 FBADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000911146352 660062959 /nfs/dbraw/zinc/06/29/59/660062959.db2.gz AKDGKHLMLIRZGG-JTOWHCCKSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000911146355 660062969 /nfs/dbraw/zinc/06/29/69/660062969.db2.gz AKDGKHLMLIRZGG-LUXYFRNMSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000911146358 660062962 /nfs/dbraw/zinc/06/29/62/660062962.db2.gz AKDGKHLMLIRZGG-OIPACUDHSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000911146360 660062966 /nfs/dbraw/zinc/06/29/66/660062966.db2.gz AKDGKHLMLIRZGG-YRBFXIGRSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147806 660062870 /nfs/dbraw/zinc/06/28/70/660062870.db2.gz JQYLRVAGIBQXAB-DDHJBXDOSA-N 1 3 364.368 -0.686 20 0 FBADHO [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147807 660062946 /nfs/dbraw/zinc/06/29/46/660062946.db2.gz JQYLRVAGIBQXAB-IRCOFANPSA-N 1 3 364.368 -0.686 20 0 FBADHO [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147808 660062919 /nfs/dbraw/zinc/06/29/19/660062919.db2.gz JQYLRVAGIBQXAB-NNYUYHANSA-N 1 3 364.368 -0.686 20 0 FBADHO [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[C@H]1C(F)(F)F ZINC000911147809 660062953 /nfs/dbraw/zinc/06/29/53/660062953.db2.gz JQYLRVAGIBQXAB-WRWGMCAJSA-N 1 3 364.368 -0.686 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149232 660062882 /nfs/dbraw/zinc/06/28/82/660062882.db2.gz VEZODLFJNKFQJT-ATNYBXOESA-N 1 3 350.463 -0.386 20 0 FBADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149235 660062853 /nfs/dbraw/zinc/06/28/53/660062853.db2.gz VEZODLFJNKFQJT-BASYENTBSA-N 1 3 350.463 -0.386 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149237 660062981 /nfs/dbraw/zinc/06/29/81/660062981.db2.gz VEZODLFJNKFQJT-LUXYFRNMSA-N 1 3 350.463 -0.386 20 0 FBADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911149241 660062893 /nfs/dbraw/zinc/06/28/93/660062893.db2.gz VEZODLFJNKFQJT-OIPACUDHSA-N 1 3 350.463 -0.386 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911149540 660062902 /nfs/dbraw/zinc/06/29/02/660062902.db2.gz XHOWITCXPVALAU-DAYGRLMNSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911149541 660062987 /nfs/dbraw/zinc/06/29/87/660062987.db2.gz XHOWITCXPVALAU-HDMKZQKVSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911149542 660062942 /nfs/dbraw/zinc/06/29/42/660062942.db2.gz XHOWITCXPVALAU-IIDMSEBBSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911149543 660062875 /nfs/dbraw/zinc/06/28/75/660062875.db2.gz XHOWITCXPVALAU-RKVPGOIHSA-N 1 3 350.463 -0.290 20 0 FBADHO C[N@@H+](CCCNC(=O)C(=O)N1CCNCCNCC1)C1CCCCC1 ZINC000911160361 660063119 /nfs/dbraw/zinc/06/31/19/660063119.db2.gz BYTGXHLGDLRWEP-UHFFFAOYSA-N 1 3 353.511 -0.221 20 0 FBADHO C[N@H+](CCCNC(=O)C(=O)N1CCNCCNCC1)C1CCCCC1 ZINC000911160361 660063117 /nfs/dbraw/zinc/06/31/17/660063117.db2.gz BYTGXHLGDLRWEP-UHFFFAOYSA-N 1 3 353.511 -0.221 20 0 FBADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911163773 660063728 /nfs/dbraw/zinc/06/37/28/660063728.db2.gz YJUILCSUEXUDQL-HOTGVXAUSA-N 1 3 353.511 -0.508 20 0 FBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911163774 660063751 /nfs/dbraw/zinc/06/37/51/660063751.db2.gz YJUILCSUEXUDQL-HZPDHXFCSA-N 1 3 353.511 -0.508 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911163775 660063831 /nfs/dbraw/zinc/06/38/31/660063831.db2.gz YJUILCSUEXUDQL-IYBDPMFKSA-N 1 3 353.511 -0.508 20 0 FBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911163775 660063829 /nfs/dbraw/zinc/06/38/29/660063829.db2.gz YJUILCSUEXUDQL-IYBDPMFKSA-N 1 3 353.511 -0.508 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911175226 660064528 /nfs/dbraw/zinc/06/45/28/660064528.db2.gz FLZQDRLOIZLDNA-NEPJUHHUSA-N 1 3 368.400 -0.191 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911175227 660064723 /nfs/dbraw/zinc/06/47/23/660064723.db2.gz FLZQDRLOIZLDNA-NWDGAFQWSA-N 1 3 368.400 -0.191 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000911175228 660064632 /nfs/dbraw/zinc/06/46/32/660064632.db2.gz FLZQDRLOIZLDNA-RYUDHWBXSA-N 1 3 368.400 -0.191 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911175229 660064749 /nfs/dbraw/zinc/06/47/49/660064749.db2.gz FLZQDRLOIZLDNA-VXGBXAGGSA-N 1 3 368.400 -0.191 20 0 FBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911177785 660064828 /nfs/dbraw/zinc/06/48/28/660064828.db2.gz WBGQMZDARNCMIW-GHMZBOCLSA-N 1 3 354.373 -0.581 20 0 FBADHO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911182696 660064811 /nfs/dbraw/zinc/06/48/11/660064811.db2.gz FKLCGLKVVQWSAS-UHFFFAOYSA-N 1 3 353.511 -0.364 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911185483 660064076 /nfs/dbraw/zinc/06/40/76/660064076.db2.gz GKIGZRWWQBVALY-CRAIPNDOSA-N 1 3 351.495 -0.530 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911185484 660064085 /nfs/dbraw/zinc/06/40/85/660064085.db2.gz GKIGZRWWQBVALY-MAUKXSAKSA-N 1 3 351.495 -0.530 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911185485 660063932 /nfs/dbraw/zinc/06/39/32/660063932.db2.gz GKIGZRWWQBVALY-QAPCUYQASA-N 1 3 351.495 -0.530 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911185486 660063998 /nfs/dbraw/zinc/06/39/98/660063998.db2.gz GKIGZRWWQBVALY-YJBOKZPZSA-N 1 3 351.495 -0.530 20 0 FBADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911185545 660064126 /nfs/dbraw/zinc/06/41/26/660064126.db2.gz HUCLTUXXIAMFDM-INIZCTEOSA-N 1 3 353.511 -0.364 20 0 FBADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911185545 660064125 /nfs/dbraw/zinc/06/41/25/660064125.db2.gz HUCLTUXXIAMFDM-INIZCTEOSA-N 1 3 353.511 -0.364 20 0 FBADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911185546 660064097 /nfs/dbraw/zinc/06/40/97/660064097.db2.gz HUCLTUXXIAMFDM-MRXNPFEDSA-N 1 3 353.511 -0.364 20 0 FBADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC000911185546 660064096 /nfs/dbraw/zinc/06/40/96/660064096.db2.gz HUCLTUXXIAMFDM-MRXNPFEDSA-N 1 3 353.511 -0.364 20 0 FBADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911185889 660063926 /nfs/dbraw/zinc/06/39/26/660063926.db2.gz KVDMKGZPHGIZQJ-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911185889 660063925 /nfs/dbraw/zinc/06/39/25/660063925.db2.gz KVDMKGZPHGIZQJ-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911185890 660063943 /nfs/dbraw/zinc/06/39/43/660063943.db2.gz KVDMKGZPHGIZQJ-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911185890 660063940 /nfs/dbraw/zinc/06/39/40/660063940.db2.gz KVDMKGZPHGIZQJ-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000911187156 660063968 /nfs/dbraw/zinc/06/39/68/660063968.db2.gz QQPYWSKKEWMMLP-INIZCTEOSA-N 1 3 353.511 -0.269 20 0 FBADHO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCN1CCOCC1 ZINC000911187926 660064397 /nfs/dbraw/zinc/06/43/97/660064397.db2.gz VSRNNBKRQNDMGD-HNNXBMFYSA-N 1 3 356.467 -0.948 20 0 FBADHO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCN1CCOCC1 ZINC000911187927 660064291 /nfs/dbraw/zinc/06/42/91/660064291.db2.gz VSRNNBKRQNDMGD-OAHLLOKOSA-N 1 3 356.467 -0.948 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911188756 660064339 /nfs/dbraw/zinc/06/43/39/660064339.db2.gz YHOFKDOBOCMTLD-INIZCTEOSA-N 1 3 353.511 -0.221 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911188758 660064420 /nfs/dbraw/zinc/06/44/20/660064420.db2.gz YHOFKDOBOCMTLD-MRXNPFEDSA-N 1 3 353.511 -0.221 20 0 FBADHO CC[N@@H+](CCNC(=O)C(=O)N1CCNCCC12CCOCC2)C1CC1 ZINC000911189227 660064383 /nfs/dbraw/zinc/06/43/83/660064383.db2.gz ZBBNITMZDJUKEF-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO CC[N@H+](CCNC(=O)C(=O)N1CCNCCC12CCOCC2)C1CC1 ZINC000911189227 660064381 /nfs/dbraw/zinc/06/43/81/660064381.db2.gz ZBBNITMZDJUKEF-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCSC1 ZINC000911198105 660065588 /nfs/dbraw/zinc/06/55/88/660065588.db2.gz FVQAVVDFLPWYIB-BREBYQMCSA-N 1 3 368.425 -0.112 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCSC1 ZINC000911198113 660065627 /nfs/dbraw/zinc/06/56/27/660065627.db2.gz FVQAVVDFLPWYIB-GIPNMCIBSA-N 1 3 368.425 -0.112 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCSC1 ZINC000911200652 660064897 /nfs/dbraw/zinc/06/48/97/660064897.db2.gz SMAZFQGSLWKPGB-INIZCTEOSA-N 1 3 357.524 -0.921 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCSC1 ZINC000911200653 660064944 /nfs/dbraw/zinc/06/49/44/660064944.db2.gz SMAZFQGSLWKPGB-MRXNPFEDSA-N 1 3 357.524 -0.921 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CCSC1 ZINC000911201756 660064872 /nfs/dbraw/zinc/06/48/72/660064872.db2.gz ZKWDMFAUTKQRAQ-INIZCTEOSA-N 1 3 358.508 -0.494 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CCSC1 ZINC000911201857 660064884 /nfs/dbraw/zinc/06/48/84/660064884.db2.gz ZKWDMFAUTKQRAQ-MRXNPFEDSA-N 1 3 358.508 -0.494 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCNCCC12CCOCC2)[N@@H+](C)C1CC1 ZINC000911208241 660065068 /nfs/dbraw/zinc/06/50/68/660065068.db2.gz WVJSMXWPFZFJSK-AWEZNQCLSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCNCCC12CCOCC2)[N@H+](C)C1CC1 ZINC000911208241 660065066 /nfs/dbraw/zinc/06/50/66/660065066.db2.gz WVJSMXWPFZFJSK-AWEZNQCLSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCNCCC12CCOCC2)[N@@H+](C)C1CC1 ZINC000911208243 660065178 /nfs/dbraw/zinc/06/51/78/660065178.db2.gz WVJSMXWPFZFJSK-CQSZACIVSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCNCCC12CCOCC2)[N@H+](C)C1CC1 ZINC000911208243 660065176 /nfs/dbraw/zinc/06/51/76/660065176.db2.gz WVJSMXWPFZFJSK-CQSZACIVSA-N 1 3 352.479 -0.044 20 0 FBADHO COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911255449 660067476 /nfs/dbraw/zinc/06/74/76/660067476.db2.gz NDPHQOCMCDPTPI-KGLIPLIRSA-N 1 3 354.495 -0.036 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)N1CCNCCC12CCOCC2 ZINC000911256783 660067751 /nfs/dbraw/zinc/06/77/51/660067751.db2.gz BEXXGFQIQYWQBI-UHFFFAOYSA-N 1 3 356.467 -0.948 20 0 FBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911256875 660067703 /nfs/dbraw/zinc/06/77/03/660067703.db2.gz CILJIWGBUOQXQS-HNNXBMFYSA-N 1 3 353.511 -0.238 20 0 FBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911256877 660067670 /nfs/dbraw/zinc/06/76/70/660067670.db2.gz CILJIWGBUOQXQS-OAHLLOKOSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])CN1CCN(C)CC1 ZINC000911269020 660066482 /nfs/dbraw/zinc/06/64/82/660066482.db2.gz HAFOHOZZHWIUPM-IIDMSEBBSA-N 1 3 351.495 -0.674 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])CN1CCN(C)CC1 ZINC000911269021 660066443 /nfs/dbraw/zinc/06/64/43/660066443.db2.gz HAFOHOZZHWIUPM-RKVPGOIHSA-N 1 3 351.495 -0.674 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])CN1CCN(C)CC1 ZINC000911269022 660066428 /nfs/dbraw/zinc/06/64/28/660066428.db2.gz HAFOHOZZHWIUPM-RVKKMQEKSA-N 1 3 351.495 -0.674 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])CN1CCN(C)CC1 ZINC000911269023 660066456 /nfs/dbraw/zinc/06/64/56/660066456.db2.gz HAFOHOZZHWIUPM-VKJFTORMSA-N 1 3 351.495 -0.674 20 0 FBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000911269386 660066657 /nfs/dbraw/zinc/06/66/57/660066657.db2.gz KICIMAMJHRZYIF-CVEARBPZSA-N 1 3 353.511 -0.413 20 0 FBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000911269387 660066828 /nfs/dbraw/zinc/06/68/28/660066828.db2.gz KICIMAMJHRZYIF-HOTGVXAUSA-N 1 3 353.511 -0.413 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)CN1CCN(C)CC1 ZINC000911269390 660066704 /nfs/dbraw/zinc/06/67/04/660066704.db2.gz KJHHEDSXCQHVLN-CVEARBPZSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)CN1CCN(C)CC1 ZINC000911269391 660066627 /nfs/dbraw/zinc/06/66/27/660066627.db2.gz KJHHEDSXCQHVLN-HOTGVXAUSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)CN1CCN(C)CC1 ZINC000911269392 660066679 /nfs/dbraw/zinc/06/66/79/660066679.db2.gz KJHHEDSXCQHVLN-HZPDHXFCSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)CN1CCN(C)CC1 ZINC000911269393 660066759 /nfs/dbraw/zinc/06/67/59/660066759.db2.gz KJHHEDSXCQHVLN-JKSUJKDBSA-N 1 3 353.511 -0.366 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)CN1CCN(C)CC1 ZINC000911269531 660066614 /nfs/dbraw/zinc/06/66/14/660066614.db2.gz LFOZETPSDZJJGR-ARFHVFGLSA-N 1 3 353.511 -0.652 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)CN1CCN(C)CC1 ZINC000911269534 660066769 /nfs/dbraw/zinc/06/67/69/660066769.db2.gz LFOZETPSDZJJGR-BZUAXINKSA-N 1 3 353.511 -0.652 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911269539 660066794 /nfs/dbraw/zinc/06/67/94/660066794.db2.gz LJGJFVBEPVQATC-OAGGEKHMSA-N 1 3 353.511 -0.380 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911269541 660066620 /nfs/dbraw/zinc/06/66/20/660066620.db2.gz LJGJFVBEPVQATC-XHSDSOJGSA-N 1 3 353.511 -0.380 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CN1CCN(C)CC1 ZINC000911269682 660066813 /nfs/dbraw/zinc/06/68/13/660066813.db2.gz NUHHFWCMCUDCAO-HRCADAONSA-N 1 3 351.495 -0.946 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)CN1CCN(C)CC1 ZINC000911269683 660066652 /nfs/dbraw/zinc/06/66/52/660066652.db2.gz NUHHFWCMCUDCAO-OWCLPIDISA-N 1 3 351.495 -0.946 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911269724 660066821 /nfs/dbraw/zinc/06/68/21/660066821.db2.gz OPWLRVIWVMDVQE-OAGGEKHMSA-N 1 3 353.511 -0.652 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911269725 660066663 /nfs/dbraw/zinc/06/66/63/660066663.db2.gz OPWLRVIWVMDVQE-XHSDSOJGSA-N 1 3 353.511 -0.652 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911269924 660066607 /nfs/dbraw/zinc/06/66/07/660066607.db2.gz QROQFFUFLQWTMA-CVEARBPZSA-N 1 3 353.511 -0.427 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911269925 660066717 /nfs/dbraw/zinc/06/67/17/660066717.db2.gz QROQFFUFLQWTMA-HOTGVXAUSA-N 1 3 353.511 -0.427 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911269926 660066779 /nfs/dbraw/zinc/06/67/79/660066779.db2.gz QROQFFUFLQWTMA-HZPDHXFCSA-N 1 3 353.511 -0.427 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911269927 660066668 /nfs/dbraw/zinc/06/66/68/660066668.db2.gz QROQFFUFLQWTMA-JKSUJKDBSA-N 1 3 353.511 -0.427 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911270099 660066641 /nfs/dbraw/zinc/06/66/41/660066641.db2.gz SRIJWXIFXTYLOS-ARFHVFGLSA-N 1 3 353.511 -0.571 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270105 660066742 /nfs/dbraw/zinc/06/67/42/660066742.db2.gz STVNXFGWWRBPHM-CABCVRRESA-N 1 3 353.511 -0.510 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270106 660066697 /nfs/dbraw/zinc/06/66/97/660066697.db2.gz STVNXFGWWRBPHM-GJZGRUSLSA-N 1 3 353.511 -0.510 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270107 660066646 /nfs/dbraw/zinc/06/66/46/660066646.db2.gz STVNXFGWWRBPHM-HUUCEWRRSA-N 1 3 353.511 -0.510 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911270108 660066803 /nfs/dbraw/zinc/06/68/03/660066803.db2.gz STVNXFGWWRBPHM-LSDHHAIUSA-N 1 3 353.511 -0.510 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911270290 660066885 /nfs/dbraw/zinc/06/68/85/660066885.db2.gz VIEZCLRFAIFRKE-CAOSSQGBSA-N 1 3 351.495 -0.615 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911270291 660066981 /nfs/dbraw/zinc/06/69/81/660066981.db2.gz VIEZCLRFAIFRKE-LVQVYYBASA-N 1 3 351.495 -0.615 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911270292 660067024 /nfs/dbraw/zinc/06/70/24/660067024.db2.gz VIEZCLRFAIFRKE-QKPAOTATSA-N 1 3 351.495 -0.615 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911270293 660066920 /nfs/dbraw/zinc/06/69/20/660066920.db2.gz VIEZCLRFAIFRKE-XUWVNRHRSA-N 1 3 351.495 -0.615 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC000911270464 660067005 /nfs/dbraw/zinc/06/70/05/660067005.db2.gz XFQZHGBVJFVBIF-ARFHVFGLSA-N 1 3 353.511 -0.571 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC000911270465 660066964 /nfs/dbraw/zinc/06/69/64/660066964.db2.gz XFQZHGBVJFVBIF-BZUAXINKSA-N 1 3 353.511 -0.571 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)CN1CCN(C)CC1 ZINC000911270510 660066998 /nfs/dbraw/zinc/06/69/98/660066998.db2.gz YACOAHPJTFYFPH-BZUAXINKSA-N 1 3 353.511 -0.571 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)CN1CCN(C)CC1 ZINC000911270511 660066875 /nfs/dbraw/zinc/06/68/75/660066875.db2.gz YACOAHPJTFYFPH-OAGGEKHMSA-N 1 3 353.511 -0.571 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)CN1CCN(C)CC1 ZINC000911270512 660066912 /nfs/dbraw/zinc/06/69/12/660066912.db2.gz YACOAHPJTFYFPH-OWCLPIDISA-N 1 3 353.511 -0.571 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)CN1CCN(C)CC1 ZINC000911270513 660067045 /nfs/dbraw/zinc/06/70/45/660067045.db2.gz YACOAHPJTFYFPH-PMPSAXMXSA-N 1 3 353.511 -0.571 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)CN1CCN(C)CC1 ZINC000911270600 660066987 /nfs/dbraw/zinc/06/69/87/660066987.db2.gz ZMLSDJXJVFXVNB-CRAIPNDOSA-N 1 3 351.495 -0.659 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)CN1CCN(C)CC1 ZINC000911270601 660066893 /nfs/dbraw/zinc/06/68/93/660066893.db2.gz ZMLSDJXJVFXVNB-MAUKXSAKSA-N 1 3 351.495 -0.659 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)CN1CCN(C)CC1 ZINC000911270602 660066940 /nfs/dbraw/zinc/06/69/40/660066940.db2.gz ZMLSDJXJVFXVNB-QAPCUYQASA-N 1 3 351.495 -0.659 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)CN1CCN(C)CC1 ZINC000911270603 660067034 /nfs/dbraw/zinc/06/70/34/660067034.db2.gz ZMLSDJXJVFXVNB-YJBOKZPZSA-N 1 3 351.495 -0.659 20 0 FBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000911324416 660068495 /nfs/dbraw/zinc/06/84/95/660068495.db2.gz CEZIIFMSDLXAPR-CVEARBPZSA-N 1 3 351.495 -0.341 20 0 FBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000911324417 660068352 /nfs/dbraw/zinc/06/83/52/660068352.db2.gz CEZIIFMSDLXAPR-HOTGVXAUSA-N 1 3 351.495 -0.341 20 0 FBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000911324418 660068386 /nfs/dbraw/zinc/06/83/86/660068386.db2.gz CEZIIFMSDLXAPR-HZPDHXFCSA-N 1 3 351.495 -0.341 20 0 FBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000911324419 660068340 /nfs/dbraw/zinc/06/83/40/660068340.db2.gz CEZIIFMSDLXAPR-JKSUJKDBSA-N 1 3 351.495 -0.341 20 0 FBADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CCNCCNCC1 ZINC000911328336 660069040 /nfs/dbraw/zinc/06/90/40/660069040.db2.gz GBEXPAFXJZALAR-HNNXBMFYSA-N 1 3 351.495 -0.469 20 0 FBADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CCNCCNCC1 ZINC000911328336 660069037 /nfs/dbraw/zinc/06/90/37/660069037.db2.gz GBEXPAFXJZALAR-HNNXBMFYSA-N 1 3 351.495 -0.469 20 0 FBADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CCNCCNCC1 ZINC000911328339 660068879 /nfs/dbraw/zinc/06/88/79/660068879.db2.gz GBEXPAFXJZALAR-OAHLLOKOSA-N 1 3 351.495 -0.469 20 0 FBADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CCNCCNCC1 ZINC000911328339 660068876 /nfs/dbraw/zinc/06/88/76/660068876.db2.gz GBEXPAFXJZALAR-OAHLLOKOSA-N 1 3 351.495 -0.469 20 0 FBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911333443 660068852 /nfs/dbraw/zinc/06/88/52/660068852.db2.gz SXYIOTOQJQTDCY-HNNXBMFYSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911333444 660068913 /nfs/dbraw/zinc/06/89/13/660068913.db2.gz SXYIOTOQJQTDCY-OAHLLOKOSA-N 1 3 353.511 -0.238 20 0 FBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000911335839 660069061 /nfs/dbraw/zinc/06/90/61/660069061.db2.gz BEXNSFNCNFIFPY-DDUZABMNSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000911335840 660068988 /nfs/dbraw/zinc/06/89/88/660068988.db2.gz BEXNSFNCNFIFPY-DHSIGJKJSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000911335841 660068897 /nfs/dbraw/zinc/06/88/97/660068897.db2.gz BEXNSFNCNFIFPY-JCKWVBRZSA-N 1 3 350.463 -0.304 20 0 FBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000911335842 660068959 /nfs/dbraw/zinc/06/89/59/660068959.db2.gz BEXNSFNCNFIFPY-QIIPPGSGSA-N 1 3 350.463 -0.304 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336022 660068930 /nfs/dbraw/zinc/06/89/30/660068930.db2.gz CVSSCPRSIVTTFX-CABCVRRESA-N 1 3 352.479 -0.138 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336023 660069077 /nfs/dbraw/zinc/06/90/77/660069077.db2.gz CVSSCPRSIVTTFX-GJZGRUSLSA-N 1 3 352.479 -0.138 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336024 660069157 /nfs/dbraw/zinc/06/91/57/660069157.db2.gz CVSSCPRSIVTTFX-HUUCEWRRSA-N 1 3 352.479 -0.138 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911336025 660069251 /nfs/dbraw/zinc/06/92/51/660069251.db2.gz CVSSCPRSIVTTFX-LSDHHAIUSA-N 1 3 352.479 -0.138 20 0 FBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000911336322 660069276 /nfs/dbraw/zinc/06/92/76/660069276.db2.gz FRFPBYKSZVIYNV-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000911336323 660069220 /nfs/dbraw/zinc/06/92/20/660069220.db2.gz FRFPBYKSZVIYNV-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000911336380 660069229 /nfs/dbraw/zinc/06/92/29/660069229.db2.gz HVQHLFLKFKMPJT-CABCVRRESA-N 1 3 352.479 -0.057 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000911336381 660069185 /nfs/dbraw/zinc/06/91/85/660069185.db2.gz HVQHLFLKFKMPJT-GJZGRUSLSA-N 1 3 352.479 -0.057 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000911336382 660069214 /nfs/dbraw/zinc/06/92/14/660069214.db2.gz HVQHLFLKFKMPJT-HUUCEWRRSA-N 1 3 352.479 -0.057 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000911336383 660069269 /nfs/dbraw/zinc/06/92/69/660069269.db2.gz HVQHLFLKFKMPJT-LSDHHAIUSA-N 1 3 352.479 -0.057 20 0 FBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000911337395 660070078 /nfs/dbraw/zinc/07/00/78/660070078.db2.gz SNQMNUKCHXERKI-HNNXBMFYSA-N 1 3 352.479 -0.042 20 0 FBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC000911337396 660070103 /nfs/dbraw/zinc/07/01/03/660070103.db2.gz SNQMNUKCHXERKI-OAHLLOKOSA-N 1 3 352.479 -0.042 20 0 FBADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CCNCCNCC1 ZINC000911338059 660070298 /nfs/dbraw/zinc/07/02/98/660070298.db2.gz FXFBKNVEBMYCEX-UHFFFAOYSA-N 1 3 351.495 -0.754 20 0 FBADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911358541 660069834 /nfs/dbraw/zinc/06/98/34/660069834.db2.gz ZWUADBICSPHVNK-UHFFFAOYSA-N 1 3 353.511 -0.366 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911366500 660072280 /nfs/dbraw/zinc/07/22/80/660072280.db2.gz HHQDWXXUUOASGA-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383597 660071618 /nfs/dbraw/zinc/07/16/18/660071618.db2.gz CVEAFLWLGUWZSD-CABCVRRESA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383599 660071584 /nfs/dbraw/zinc/07/15/84/660071584.db2.gz CVEAFLWLGUWZSD-GJZGRUSLSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383600 660071630 /nfs/dbraw/zinc/07/16/30/660071630.db2.gz CVEAFLWLGUWZSD-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911383601 660071687 /nfs/dbraw/zinc/07/16/87/660071687.db2.gz CVEAFLWLGUWZSD-LSDHHAIUSA-N 1 3 352.479 -0.186 20 0 FBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385840 660071788 /nfs/dbraw/zinc/07/17/88/660071788.db2.gz LODLYCLMICZRDZ-CABCVRRESA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385841 660071879 /nfs/dbraw/zinc/07/18/79/660071879.db2.gz LODLYCLMICZRDZ-GJZGRUSLSA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385842 660071904 /nfs/dbraw/zinc/07/19/04/660071904.db2.gz LODLYCLMICZRDZ-HUUCEWRRSA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911385843 660071835 /nfs/dbraw/zinc/07/18/35/660071835.db2.gz LODLYCLMICZRDZ-LSDHHAIUSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911389007 660072120 /nfs/dbraw/zinc/07/21/20/660072120.db2.gz ZWHLZZQQNLDBPV-AWEZNQCLSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911389009 660072165 /nfs/dbraw/zinc/07/21/65/660072165.db2.gz ZWHLZZQQNLDBPV-CQSZACIVSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911393908 660073364 /nfs/dbraw/zinc/07/33/64/660073364.db2.gz ZUNCXNSELWDHPD-HNNXBMFYSA-N 1 3 352.479 -0.185 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911393909 660073404 /nfs/dbraw/zinc/07/34/04/660073404.db2.gz ZUNCXNSELWDHPD-OAHLLOKOSA-N 1 3 352.479 -0.185 20 0 FBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000911394988 660073593 /nfs/dbraw/zinc/07/35/93/660073593.db2.gz IRNJHYJIGDEAKK-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000911394989 660073541 /nfs/dbraw/zinc/07/35/41/660073541.db2.gz IRNJHYJIGDEAKK-OAGGEKHMSA-N 1 3 354.495 -0.083 20 0 FBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412623 660074350 /nfs/dbraw/zinc/07/43/50/660074350.db2.gz ONSCXIBZPPOAHA-CVEARBPZSA-N 1 3 351.495 -0.389 20 0 FBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000911413365 660074495 /nfs/dbraw/zinc/07/44/95/660074495.db2.gz FGBYFLPMNHPWGW-INIZCTEOSA-N 1 3 351.495 -0.388 20 0 FBADHO [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000911413366 660074536 /nfs/dbraw/zinc/07/45/36/660074536.db2.gz FGBYFLPMNHPWGW-MRXNPFEDSA-N 1 3 351.495 -0.388 20 0 FBADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911413528 660074672 /nfs/dbraw/zinc/07/46/72/660074672.db2.gz UKXASISSFURPQW-UHFFFAOYSA-N 1 3 353.511 -0.142 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000911413763 660074694 /nfs/dbraw/zinc/07/46/94/660074694.db2.gz IXDKEDKOHOVZLK-CABCVRRESA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCC[C@H](C)C1 ZINC000911413765 660074797 /nfs/dbraw/zinc/07/47/97/660074797.db2.gz IXDKEDKOHOVZLK-GJZGRUSLSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000911413766 660074824 /nfs/dbraw/zinc/07/48/24/660074824.db2.gz IXDKEDKOHOVZLK-HUUCEWRRSA-N 1 3 353.511 -0.238 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)N1CCC[C@H](C)C1 ZINC000911413768 660074790 /nfs/dbraw/zinc/07/47/90/660074790.db2.gz IXDKEDKOHOVZLK-LSDHHAIUSA-N 1 3 353.511 -0.238 20 0 FBADHO CN1CCN(C(=O)C(=O)NCCCCC[NH+]2CCNCC2)CC1(C)C ZINC000911435161 660074924 /nfs/dbraw/zinc/07/49/24/660074924.db2.gz DDZMCIYVFFAFFM-UHFFFAOYSA-N 1 3 353.511 -0.269 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC000911436312 660075566 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CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911555174 660079571 /nfs/dbraw/zinc/07/95/71/660079571.db2.gz FLQVDALNPURYST-MRXNPFEDSA-N 1 3 353.511 -0.269 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911564183 660080221 /nfs/dbraw/zinc/08/02/21/660080221.db2.gz XOHWJCAGPPKIBU-SHTZXODSSA-N 1 3 352.479 -0.057 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN(C)CCO)CC1=O ZINC000912607619 660089734 /nfs/dbraw/zinc/08/97/34/660089734.db2.gz YBLUCBTYEMASQM-CVEARBPZSA-N 1 3 354.495 -0.298 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN(C)CCO)CC1=O ZINC000912607619 660089732 /nfs/dbraw/zinc/08/97/32/660089732.db2.gz YBLUCBTYEMASQM-CVEARBPZSA-N 1 3 354.495 -0.298 20 0 FBADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN(C)CCO)CC1=O ZINC000912607620 660089595 /nfs/dbraw/zinc/08/95/95/660089595.db2.gz YBLUCBTYEMASQM-HOTGVXAUSA-N 1 3 354.495 -0.298 20 0 FBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN(C)CCO)CC1=O ZINC000912607620 660089591 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YOWHRRJENGSCKM-CVEARBPZSA-N 1 3 352.479 -0.057 20 0 FBADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000923451109 660519782 /nfs/dbraw/zinc/51/97/82/660519782.db2.gz YOWHRRJENGSCKM-HOTGVXAUSA-N 1 3 352.479 -0.057 20 0 FBADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000923451111 660519866 /nfs/dbraw/zinc/51/98/66/660519866.db2.gz YOWHRRJENGSCKM-HZPDHXFCSA-N 1 3 352.479 -0.057 20 0 FBADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000923451113 660519825 /nfs/dbraw/zinc/51/98/25/660519825.db2.gz YOWHRRJENGSCKM-JKSUJKDBSA-N 1 3 352.479 -0.057 20 0 FBADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923452043 660519876 /nfs/dbraw/zinc/51/98/76/660519876.db2.gz DXJXSKHMEITPSG-GDBMZVCRSA-N 1 3 352.479 -0.105 20 0 FBADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923452044 660519891 /nfs/dbraw/zinc/51/98/91/660519891.db2.gz DXJXSKHMEITPSG-GOEBONIOSA-N 1 3 352.479 -0.105 20 0 FBADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923452045 660519820 /nfs/dbraw/zinc/51/98/20/660519820.db2.gz DXJXSKHMEITPSG-HOCLYGCPSA-N 1 3 352.479 -0.105 20 0 FBADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923452046 660520160 /nfs/dbraw/zinc/52/01/60/660520160.db2.gz DXJXSKHMEITPSG-ZBFHGGJFSA-N 1 3 352.479 -0.105 20 0 FBADHO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@H](CC[NH3+])C2)CC1 ZINC000923483452 660520979 /nfs/dbraw/zinc/52/09/79/660520979.db2.gz OZNCYVBSMKEVOO-HNNXBMFYSA-N 1 3 353.511 -0.284 20 0 FBADHO CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923483453 660521013 /nfs/dbraw/zinc/52/10/13/660521013.db2.gz OZNCYVBSMKEVOO-OAHLLOKOSA-N 1 3 353.511 -0.284 20 0 FBADHO CN1CCN(Cc2ccc(CNS(=O)(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000923588531 660524704 /nfs/dbraw/zinc/52/47/04/660524704.db2.gz FZUHMVPNASKDPN-UHFFFAOYSA-N 1 3 367.519 -0.326 20 0 FBADHO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923589359 660524701 /nfs/dbraw/zinc/52/47/01/660524701.db2.gz GCRQFXNSXSPPIL-UHFFFAOYSA-N 1 3 358.508 -0.398 20 0 FBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923601681 660529867 /nfs/dbraw/zinc/52/98/67/660529867.db2.gz WIYQUDDCJSDFDA-HOTGVXAUSA-N 1 3 359.540 -0.373 20 0 FBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923601682 660529913 /nfs/dbraw/zinc/52/99/13/660529913.db2.gz WIYQUDDCJSDFDA-HZPDHXFCSA-N 1 3 359.540 -0.373 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923601683 660530153 /nfs/dbraw/zinc/53/01/53/660530153.db2.gz WIYQUDDCJSDFDA-IYBDPMFKSA-N 1 3 359.540 -0.373 20 0 FBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923601683 660530152 /nfs/dbraw/zinc/53/01/52/660530152.db2.gz WIYQUDDCJSDFDA-IYBDPMFKSA-N 1 3 359.540 -0.373 20 0 FBADHO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)N2CCNCC2)c1 ZINC000923604242 661461034 /nfs/dbraw/zinc/46/10/34/661461034.db2.gz UDROJXBPEQAAOM-UHFFFAOYSA-N 1 3 369.491 -0.782 20 0 FBADHO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)N2CCNCC2)cc1 ZINC000923605232 661476774 /nfs/dbraw/zinc/47/67/74/661476774.db2.gz BRZCITNNJWYMLM-UHFFFAOYSA-N 1 3 356.492 -0.091 20 0 FBADHO O=S(=O)(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCNCC1 ZINC000923614706 661481923 /nfs/dbraw/zinc/48/19/23/661481923.db2.gz HTTWZKAENMOLRD-UHFFFAOYSA-N 1 3 368.503 -0.117 20 0 FBADHO [NH3+]C1(CNS(=O)(=O)N2CCNCC2)CCN(Cc2ccccc2)CC1 ZINC000923648736 661532412 /nfs/dbraw/zinc/53/24/12/661532412.db2.gz IEPMKRKWZVDICP-UHFFFAOYSA-N 1 3 367.519 -0.281 20 0 FBADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NS(=O)(=O)N2CCNCC2)cc1 ZINC000923653572 661538406 /nfs/dbraw/zinc/53/84/06/661538406.db2.gz AHNLCECOZGKKQB-HOTGVXAUSA-N 1 3 354.476 -0.120 20 0 FBADHO Cn1ccnc1CN([C@H]1CC12CC[NH2+]CC2)S(=O)(=O)N1CCNCC1 ZINC000923658461 661541404 /nfs/dbraw/zinc/54/14/04/661541404.db2.gz FREZUMPQFJQGTB-AWEZNQCLSA-N 1 3 368.507 -0.486 20 0 FBADHO Cn1ccnc1CN([C@@H]1CC12CC[NH2+]CC2)S(=O)(=O)N1CCNCC1 ZINC000923658462 661541427 /nfs/dbraw/zinc/54/14/27/661541427.db2.gz FREZUMPQFJQGTB-CQSZACIVSA-N 1 3 368.507 -0.486 20 0 FBADHO O=S(=O)(NCc1ccc(CN2CC[NH2+]CC2)cc1)N1CCNCC1 ZINC000923677699 661547267 /nfs/dbraw/zinc/54/72/67/661547267.db2.gz NEDVJMQMLUEBSH-UHFFFAOYSA-N 1 3 353.492 -0.669 20 0 FBADHO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCNCCNCC1 ZINC000923693486 661633850 /nfs/dbraw/zinc/63/38/50/661633850.db2.gz NKGWZHAKECOGPK-UHFFFAOYSA-N 1 3 358.512 -0.755 20 0 FBADHO CN(C)C[C@@H]1NC(=O)N(CC2(N3CCOCC3)CC[NH+](C)CC2)C1=O ZINC000924930873 658948703 /nfs/dbraw/zinc/94/87/03/658948703.db2.gz YTYDQCOGBKJVSY-AWEZNQCLSA-N 1 3 353.467 -0.735 20 0 FBADHO CN(C)C[C@H]1NC(=O)N(CC2(N3CCOCC3)CC[NH+](C)CC2)C1=O ZINC000924930877 658948750 /nfs/dbraw/zinc/94/87/50/658948750.db2.gz YTYDQCOGBKJVSY-CQSZACIVSA-N 1 3 353.467 -0.735 20 0 FBADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000926164568 661644763 /nfs/dbraw/zinc/64/47/63/661644763.db2.gz MYHBFQYLPMVJDK-BCDMZGRMSA-N 1 3 350.507 -0.028 20 0 FBADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000926164568 661644760 /nfs/dbraw/zinc/64/47/60/661644760.db2.gz MYHBFQYLPMVJDK-BCDMZGRMSA-N 1 3 350.507 -0.028 20 0 FBADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000926164570 661644635 /nfs/dbraw/zinc/64/46/35/661644635.db2.gz MYHBFQYLPMVJDK-OYNZLANYSA-N 1 3 350.507 -0.028 20 0 FBADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000926164570 661644633 /nfs/dbraw/zinc/64/46/33/661644633.db2.gz MYHBFQYLPMVJDK-OYNZLANYSA-N 1 3 350.507 -0.028 20 0 FBADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000926164572 661644818 /nfs/dbraw/zinc/64/48/18/661644818.db2.gz MYHBFQYLPMVJDK-RXYDEIHYSA-N 1 3 350.507 -0.028 20 0 FBADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000926164572 661644815 /nfs/dbraw/zinc/64/48/15/661644815.db2.gz MYHBFQYLPMVJDK-RXYDEIHYSA-N 1 3 350.507 -0.028 20 0 FBADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000926164574 661644679 /nfs/dbraw/zinc/64/46/79/661644679.db2.gz MYHBFQYLPMVJDK-ZQOJQMTGSA-N 1 3 350.507 -0.028 20 0 FBADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000926164574 661644667 /nfs/dbraw/zinc/64/46/67/661644667.db2.gz MYHBFQYLPMVJDK-ZQOJQMTGSA-N 1 3 350.507 -0.028 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000926296991 657483530 /nfs/dbraw/zinc/48/35/30/657483530.db2.gz FFXJRJQGXIUJSV-UHFFFAOYSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000926298915 657484060 /nfs/dbraw/zinc/48/40/60/657484060.db2.gz HCJHBPAZHZKARC-UHFFFAOYSA-N 1 3 351.495 -0.658 20 0 FBADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926304631 657487163 /nfs/dbraw/zinc/48/71/63/657487163.db2.gz WMZVLJLDKYQDES-UHFFFAOYSA-N 1 3 353.511 -0.412 20 0 FBADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926309758 657487549 /nfs/dbraw/zinc/48/75/49/657487549.db2.gz DYNHJORLGQZNTM-UHFFFAOYSA-N 1 3 355.527 -0.166 20 0 FBADHO CC(C)(C)CCN1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926315755 661646166 /nfs/dbraw/zinc/64/61/66/661646166.db2.gz QRAODSJINLQCKO-UHFFFAOYSA-N 1 3 353.511 -0.412 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000926316676 657492418 /nfs/dbraw/zinc/49/24/18/657492418.db2.gz WXDVSJTWYWPWHR-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000926316685 657492592 /nfs/dbraw/zinc/49/25/92/657492592.db2.gz WXDVSJTWYWPWHR-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926316848 661646028 /nfs/dbraw/zinc/64/60/28/661646028.db2.gz XVYNKYLUIRTPRB-UHFFFAOYSA-N 1 3 353.511 -0.413 20 0 FBADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926316848 661646022 /nfs/dbraw/zinc/64/60/22/661646022.db2.gz XVYNKYLUIRTPRB-UHFFFAOYSA-N 1 3 353.511 -0.413 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926321680 661646599 /nfs/dbraw/zinc/64/65/99/661646599.db2.gz AVPAAHYVTBIZIZ-ARFHVFGLSA-N 1 3 352.479 -0.377 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000926324461 661646341 /nfs/dbraw/zinc/64/63/41/661646341.db2.gz BPLXKHCILDPZSD-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000926324462 661646410 /nfs/dbraw/zinc/64/64/10/661646410.db2.gz BPLXKHCILDPZSD-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926326842 661646405 /nfs/dbraw/zinc/64/64/05/661646405.db2.gz GPRKDJGTSUTESI-HNNXBMFYSA-N 1 3 352.479 -0.103 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926326843 661646534 /nfs/dbraw/zinc/64/65/34/661646534.db2.gz GPRKDJGTSUTESI-OAHLLOKOSA-N 1 3 352.479 -0.103 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000926327021 661646373 /nfs/dbraw/zinc/64/63/73/661646373.db2.gz UGLPLVMHIRTXQO-UHFFFAOYSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000926327021 661646368 /nfs/dbraw/zinc/64/63/68/661646368.db2.gz UGLPLVMHIRTXQO-UHFFFAOYSA-N 1 3 351.495 -0.515 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000926328847 661646935 /nfs/dbraw/zinc/64/69/35/661646935.db2.gz TVQOJWLATTYPIZ-BZUAXINKSA-N 1 3 354.495 -0.001 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[C@@H]1C[NH3+] ZINC000926328848 661646790 /nfs/dbraw/zinc/64/67/90/661646790.db2.gz TVQOJWLATTYPIZ-OAGGEKHMSA-N 1 3 354.495 -0.001 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000926328849 661646834 /nfs/dbraw/zinc/64/68/34/661646834.db2.gz TVQOJWLATTYPIZ-OWCLPIDISA-N 1 3 354.495 -0.001 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[C@H]1C[NH3+] ZINC000926328850 661646850 /nfs/dbraw/zinc/64/68/50/661646850.db2.gz TVQOJWLATTYPIZ-PMPSAXMXSA-N 1 3 354.495 -0.001 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926328863 661646783 /nfs/dbraw/zinc/64/67/83/661646783.db2.gz UBZXCVWTYCLKME-ARFHVFGLSA-N 1 3 352.479 -0.234 20 0 FBADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCN3CCC[C@@H]3C1)CC2 ZINC000926333443 661647241 /nfs/dbraw/zinc/64/72/41/661647241.db2.gz JTSXLODQPHMRFC-CABCVRRESA-N 1 3 350.463 -0.351 20 0 FBADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCN3CCC[C@H]3C1)CC2 ZINC000926333450 661647207 /nfs/dbraw/zinc/64/72/07/661647207.db2.gz JTSXLODQPHMRFC-GJZGRUSLSA-N 1 3 350.463 -0.351 20 0 FBADHO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCN3CCC[C@@H]3C1)CC2 ZINC000926333457 661647247 /nfs/dbraw/zinc/64/72/47/661647247.db2.gz JTSXLODQPHMRFC-HUUCEWRRSA-N 1 3 350.463 -0.351 20 0 FBADHO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C(=O)N1CCN3CCC[C@H]3C1)CC2 ZINC000926333463 661647290 /nfs/dbraw/zinc/64/72/90/661647290.db2.gz JTSXLODQPHMRFC-LSDHHAIUSA-N 1 3 350.463 -0.351 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926336005 661647662 /nfs/dbraw/zinc/64/76/62/661647662.db2.gz VNRAJDOOMGLHLV-JKSUJKDBSA-N 1 3 351.495 -0.707 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000926345022 657507472 /nfs/dbraw/zinc/50/74/72/657507472.db2.gz AVDHTJHMHCZNBB-INIZCTEOSA-N 1 3 351.495 -0.515 20 0 FBADHO O=C(C(=O)N1CCNCCNCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000926345029 657507163 /nfs/dbraw/zinc/50/71/63/657507163.db2.gz AVDHTJHMHCZNBB-MRXNPFEDSA-N 1 3 351.495 -0.515 20 0 FBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926346624 661648211 /nfs/dbraw/zinc/64/82/11/661648211.db2.gz KFAYBFKELFWZIL-KRWDZBQOSA-N 1 3 368.503 -0.050 20 0 FBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926346625 661648106 /nfs/dbraw/zinc/64/81/06/661648106.db2.gz KFAYBFKELFWZIL-QGZVFWFLSA-N 1 3 368.503 -0.050 20 0 FBADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926348704 661648204 /nfs/dbraw/zinc/64/82/04/661648204.db2.gz OCMXNEUHWZAPAL-UHFFFAOYSA-N 1 3 353.511 -0.412 20 0 FBADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926353312 661648512 /nfs/dbraw/zinc/64/85/12/661648512.db2.gz RTQIPTAIJCIQFH-INIZCTEOSA-N 1 3 351.495 -0.802 20 0 FBADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926353312 661648510 /nfs/dbraw/zinc/64/85/10/661648510.db2.gz RTQIPTAIJCIQFH-INIZCTEOSA-N 1 3 351.495 -0.802 20 0 FBADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926353313 661648480 /nfs/dbraw/zinc/64/84/80/661648480.db2.gz RTQIPTAIJCIQFH-MRXNPFEDSA-N 1 3 351.495 -0.802 20 0 FBADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926353313 661648476 /nfs/dbraw/zinc/64/84/76/661648476.db2.gz RTQIPTAIJCIQFH-MRXNPFEDSA-N 1 3 351.495 -0.802 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926359778 661648787 /nfs/dbraw/zinc/64/87/87/661648787.db2.gz KSKCHZYTXYINHP-HNNXBMFYSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926359781 661649189 /nfs/dbraw/zinc/64/91/89/661649189.db2.gz KSKCHZYTXYINHP-OAHLLOKOSA-N 1 3 352.479 -0.105 20 0 FBADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCNCCNCC3)C2)CC1 ZINC000926363447 661649175 /nfs/dbraw/zinc/64/91/75/661649175.db2.gz YLPZMLPXQBSNAJ-INIZCTEOSA-N 1 3 351.495 -0.802 20 0 FBADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCNCCNCC3)C2)CC1 ZINC000926363449 661649265 /nfs/dbraw/zinc/64/92/65/661649265.db2.gz YLPZMLPXQBSNAJ-MRXNPFEDSA-N 1 3 351.495 -0.802 20 0 FBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926381214 661649825 /nfs/dbraw/zinc/64/98/25/661649825.db2.gz SGDJXOJTMILDKP-KRWDZBQOSA-N 1 3 368.503 -0.050 20 0 FBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926381215 661649776 /nfs/dbraw/zinc/64/97/76/661649776.db2.gz SGDJXOJTMILDKP-QGZVFWFLSA-N 1 3 368.503 -0.050 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926383725 661649761 /nfs/dbraw/zinc/64/97/61/661649761.db2.gz VCIIWQILRQUCCG-CABCVRRESA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926383726 661649710 /nfs/dbraw/zinc/64/97/10/661649710.db2.gz VCIIWQILRQUCCG-GJZGRUSLSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926383727 661650066 /nfs/dbraw/zinc/65/00/66/661650066.db2.gz VCIIWQILRQUCCG-HUUCEWRRSA-N 1 3 352.479 -0.105 20 0 FBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926383728 661650104 /nfs/dbraw/zinc/65/01/04/661650104.db2.gz VCIIWQILRQUCCG-LSDHHAIUSA-N 1 3 352.479 -0.105 20 0 FBADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926396467 661650587 /nfs/dbraw/zinc/65/05/87/661650587.db2.gz GDJKEVIDCWKJBT-UHFFFAOYSA-N 1 3 351.495 -0.515 20 0 FBADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926407020 657534318 /nfs/dbraw/zinc/53/43/18/657534318.db2.gz WGODAJBBNAQYEZ-UHFFFAOYSA-N 1 3 353.511 -0.268 20 0 FBADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCNCCNCC3)CC2)CC1 ZINC000926408905 661651025 /nfs/dbraw/zinc/65/10/25/661651025.db2.gz UGBLHNJYQFQONE-UHFFFAOYSA-N 1 3 351.495 -0.658 20 0 FBADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926409665 661650896 /nfs/dbraw/zinc/65/08/96/661650896.db2.gz HCBXOYBJYFZCNP-UHFFFAOYSA-N 1 3 351.495 -0.515 20 0 FBADHO CCO[C@@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C[NH+](C)C ZINC000929464710 661666128 /nfs/dbraw/zinc/66/61/28/661666128.db2.gz HKMCIZMASCIAQX-BBRMVZONSA-N 1 3 360.524 -0.377 20 0 FBADHO CCO[C@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C[NH+](C)C ZINC000929464711 661665998 /nfs/dbraw/zinc/66/59/98/661665998.db2.gz HKMCIZMASCIAQX-CJNGLKHVSA-N 1 3 360.524 -0.377 20 0 FBADHO CCO[C@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C[NH+](C)C ZINC000929464712 661666041 /nfs/dbraw/zinc/66/60/41/661666041.db2.gz HKMCIZMASCIAQX-CZUORRHYSA-N 1 3 360.524 -0.377 20 0 FBADHO CCO[C@@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C[NH+](C)C ZINC000929464713 661666168 /nfs/dbraw/zinc/66/61/68/661666168.db2.gz HKMCIZMASCIAQX-XJKSGUPXSA-N 1 3 360.524 -0.377 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCSC1 ZINC000929465077 661666048 /nfs/dbraw/zinc/66/60/48/661666048.db2.gz MUCDLMLMAFXMOR-IAOVAPTHSA-N 1 3 354.520 -0.050 20 0 FBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCSC1 ZINC000929465077 661666046 /nfs/dbraw/zinc/66/60/46/661666046.db2.gz MUCDLMLMAFXMOR-IAOVAPTHSA-N 1 3 354.520 -0.050 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCSC1 ZINC000929465078 661666081 /nfs/dbraw/zinc/66/60/81/661666081.db2.gz MUCDLMLMAFXMOR-XKQJLSEDSA-N 1 3 354.520 -0.050 20 0 FBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCSC1 ZINC000929465078 661666080 /nfs/dbraw/zinc/66/60/80/661666080.db2.gz MUCDLMLMAFXMOR-XKQJLSEDSA-N 1 3 354.520 -0.050 20 0 FBADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879543 661670505 /nfs/dbraw/zinc/67/05/05/661670505.db2.gz AWGOFENXTRJOCO-ADAWSYLGSA-N 1 3 350.463 -0.624 20 0 FBADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879543 661670504 /nfs/dbraw/zinc/67/05/04/661670504.db2.gz AWGOFENXTRJOCO-ADAWSYLGSA-N 1 3 350.463 -0.624 20 0 FBADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879544 661670512 /nfs/dbraw/zinc/67/05/12/661670512.db2.gz AWGOFENXTRJOCO-BSXFFOKHSA-N 1 3 350.463 -0.624 20 0 FBADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000929879544 661670511 /nfs/dbraw/zinc/67/05/11/661670511.db2.gz AWGOFENXTRJOCO-BSXFFOKHSA-N 1 3 350.463 -0.624 20 0 FBADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879547 661670551 /nfs/dbraw/zinc/67/05/51/661670551.db2.gz AWGOFENXTRJOCO-FSZRXZPDSA-N 1 3 350.463 -0.624 20 0 FBADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879547 661670550 /nfs/dbraw/zinc/67/05/50/661670550.db2.gz AWGOFENXTRJOCO-FSZRXZPDSA-N 1 3 350.463 -0.624 20 0 FBADHO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879550 661670487 /nfs/dbraw/zinc/67/04/87/661670487.db2.gz AWGOFENXTRJOCO-LLDVTBCESA-N 1 3 350.463 -0.624 20 0 FBADHO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000929879550 661670485 /nfs/dbraw/zinc/67/04/85/661670485.db2.gz AWGOFENXTRJOCO-LLDVTBCESA-N 1 3 350.463 -0.624 20 0 FBADHO CCO[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C[NH+](C)C ZINC000929881045 661670655 /nfs/dbraw/zinc/67/06/55/661670655.db2.gz KKTQJKXAPLWPPI-KFWWJZLASA-N 1 3 356.467 -0.951 20 0 FBADHO CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C[NH+](C)C ZINC000929881046 661670576 /nfs/dbraw/zinc/67/05/76/661670576.db2.gz KKTQJKXAPLWPPI-RBSFLKMASA-N 1 3 356.467 -0.951 20 0 FBADHO CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C[NH+](C)C ZINC000929881047 661670494 /nfs/dbraw/zinc/67/04/94/661670494.db2.gz KKTQJKXAPLWPPI-RRFJBIMHSA-N 1 3 356.467 -0.951 20 0 FBADHO CCO[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C[NH+](C)C ZINC000929881048 661670630 /nfs/dbraw/zinc/67/06/30/661670630.db2.gz KKTQJKXAPLWPPI-ZNMIVQPWSA-N 1 3 356.467 -0.951 20 0 FBADHO C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000929881477 661670497 /nfs/dbraw/zinc/67/04/97/661670497.db2.gz MRQUZOPNZCXIRB-CABCVRRESA-N 1 3 350.463 -0.338 20 0 FBADHO C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000929881478 661670624 /nfs/dbraw/zinc/67/06/24/661670624.db2.gz MRQUZOPNZCXIRB-GJZGRUSLSA-N 1 3 350.463 -0.338 20 0 FBADHO C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000929881479 661670541 /nfs/dbraw/zinc/67/05/41/661670541.db2.gz MRQUZOPNZCXIRB-HUUCEWRRSA-N 1 3 350.463 -0.338 20 0 FBADHO C[NH+]1CCC2(CCN2C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000929881480 661670479 /nfs/dbraw/zinc/67/04/79/661670479.db2.gz MRQUZOPNZCXIRB-LSDHHAIUSA-N 1 3 350.463 -0.338 20 0 FBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000929881765 661671003 /nfs/dbraw/zinc/67/10/03/661671003.db2.gz OATLBIFZMVQVTF-CABCVRRESA-N 1 3 352.479 -0.186 20 0 FBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000929881765 661671002 /nfs/dbraw/zinc/67/10/02/661671002.db2.gz OATLBIFZMVQVTF-CABCVRRESA-N 1 3 352.479 -0.186 20 0 FBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000929881766 661670953 /nfs/dbraw/zinc/67/09/53/661670953.db2.gz OATLBIFZMVQVTF-GJZGRUSLSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000929881766 661670949 /nfs/dbraw/zinc/67/09/49/661670949.db2.gz OATLBIFZMVQVTF-GJZGRUSLSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000929881767 661670815 /nfs/dbraw/zinc/67/08/15/661670815.db2.gz OATLBIFZMVQVTF-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000929881767 661670812 /nfs/dbraw/zinc/67/08/12/661670812.db2.gz OATLBIFZMVQVTF-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000929881768 661671035 /nfs/dbraw/zinc/67/10/35/661671035.db2.gz OATLBIFZMVQVTF-LSDHHAIUSA-N 1 3 352.479 -0.186 20 0 FBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000929881768 661671034 /nfs/dbraw/zinc/67/10/34/661671034.db2.gz OATLBIFZMVQVTF-LSDHHAIUSA-N 1 3 352.479 -0.186 20 0 FBADHO CN1CCN(CC[Si](C)(C)CC[N@H+]2CCN(C)[C@@H](CO)C2)C[C@@H]1CO ZINC000931400919 661689355 /nfs/dbraw/zinc/68/93/55/661689355.db2.gz WLKWYKMWXJGCQE-QZTJIDSGSA-N 1 3 372.630 -0.089 20 0 FBADHO CN1CCN(CC[Si](C)(C)CC[N@@H+]2CCN(C)[C@@H](CO)C2)C[C@@H]1CO ZINC000931400919 661689343 /nfs/dbraw/zinc/68/93/43/661689343.db2.gz WLKWYKMWXJGCQE-QZTJIDSGSA-N 1 3 372.630 -0.089 20 0 FBADHO CN1CCN(CC[Si](C)(C)CC[N@H+]2CCN(C)[C@H](CO)C2)C[C@H]1CO ZINC000931400920 661689259 /nfs/dbraw/zinc/68/92/59/661689259.db2.gz WLKWYKMWXJGCQE-ROUUACIJSA-N 1 3 372.630 -0.089 20 0 FBADHO CN1CCN(CC[Si](C)(C)CC[N@@H+]2CCN(C)[C@H](CO)C2)C[C@H]1CO ZINC000931400920 661689258 /nfs/dbraw/zinc/68/92/58/661689258.db2.gz WLKWYKMWXJGCQE-ROUUACIJSA-N 1 3 372.630 -0.089 20 0 FBADHO CO[C@]1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCSC1 ZINC000931857887 661697415 /nfs/dbraw/zinc/69/74/15/661697415.db2.gz XFZSQNQCOCLQDB-INIZCTEOSA-N 1 3 360.524 -0.424 20 0 FBADHO CO[C@@]1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCSC1 ZINC000931857888 661697373 /nfs/dbraw/zinc/69/73/73/661697373.db2.gz XFZSQNQCOCLQDB-MRXNPFEDSA-N 1 3 360.524 -0.424 20 0 FBADHO CN(C(=O)C(=O)NC[C@H]1CCN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000931882884 661698990 /nfs/dbraw/zinc/69/89/90/661698990.db2.gz KHMDEVXPVYLMKY-CVEARBPZSA-N 1 3 351.495 -0.566 20 0 FBADHO CN(C(=O)C(=O)NC[C@H]1CCN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000931882884 661698988 /nfs/dbraw/zinc/69/89/88/661698988.db2.gz KHMDEVXPVYLMKY-CVEARBPZSA-N 1 3 351.495 -0.566 20 0 FBADHO CN(C(=O)C(=O)NC[C@@H]1CCN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000931882885 661698873 /nfs/dbraw/zinc/69/88/73/661698873.db2.gz KHMDEVXPVYLMKY-HOTGVXAUSA-N 1 3 351.495 -0.566 20 0 FBADHO CN(C(=O)C(=O)NC[C@@H]1CCN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000931882885 661698871 /nfs/dbraw/zinc/69/88/71/661698871.db2.gz KHMDEVXPVYLMKY-HOTGVXAUSA-N 1 3 351.495 -0.566 20 0 FBADHO CN(C(=O)C(=O)NC[C@H]1CCN1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000931882886 661698779 /nfs/dbraw/zinc/69/87/79/661698779.db2.gz KHMDEVXPVYLMKY-HZPDHXFCSA-N 1 3 351.495 -0.566 20 0 FBADHO CN(C(=O)C(=O)NC[C@H]1CCN1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000931882886 661698777 /nfs/dbraw/zinc/69/87/77/661698777.db2.gz KHMDEVXPVYLMKY-HZPDHXFCSA-N 1 3 351.495 -0.566 20 0 FBADHO CN(C(=O)C(=O)NC[C@@H]1CCN1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000931882887 661698901 /nfs/dbraw/zinc/69/89/01/661698901.db2.gz KHMDEVXPVYLMKY-JKSUJKDBSA-N 1 3 351.495 -0.566 20 0 FBADHO CN(C(=O)C(=O)NC[C@@H]1CCN1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000931882887 661698899 /nfs/dbraw/zinc/69/88/99/661698899.db2.gz 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ZINC000934894486 661725414 /nfs/dbraw/zinc/72/54/14/661725414.db2.gz DBTGDRHSJOVTCY-MRXNPFEDSA-N 1 3 352.479 -0.138 20 0 FBADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941852838 660282222 /nfs/dbraw/zinc/28/22/22/660282222.db2.gz QSKZQLAKFAHGBN-RBSFLKMASA-N 1 3 352.479 -0.236 20 0 FBADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000941852838 660282221 /nfs/dbraw/zinc/28/22/21/660282221.db2.gz QSKZQLAKFAHGBN-RBSFLKMASA-N 1 3 352.479 -0.236 20 0 FBADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000941852839 660282200 /nfs/dbraw/zinc/28/22/00/660282200.db2.gz QSKZQLAKFAHGBN-RRFJBIMHSA-N 1 3 352.479 -0.236 20 0 FBADHO CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000941852839 660282199 /nfs/dbraw/zinc/28/21/99/660282199.db2.gz QSKZQLAKFAHGBN-RRFJBIMHSA-N 1 3 352.479 -0.236 20 0 FBADHO CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000941858813 660281409 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C[C@H]1CCN(CC(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466734 662064439 /nfs/dbraw/zinc/06/44/39/662064439.db2.gz RBEKPBGFQWZWEQ-IMJJTQAJSA-N 1 3 352.479 -0.642 20 0 FBADHO CN(CC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C1CCC1 ZINC000968466848 662064490 /nfs/dbraw/zinc/06/44/90/662064490.db2.gz UBRRCEKHTVSHMJ-CVEARBPZSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)CCC1 ZINC000968466875 662064414 /nfs/dbraw/zinc/06/44/14/662064414.db2.gz VBBPEZSQQUEUPJ-CABCVRRESA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC000968728045 662081660 /nfs/dbraw/zinc/08/16/60/662081660.db2.gz AOUWJQHAQWNMRM-RBSFLKMASA-N 1 3 358.508 -0.447 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC000968728045 662081656 /nfs/dbraw/zinc/08/16/56/662081656.db2.gz AOUWJQHAQWNMRM-RBSFLKMASA-N 1 3 358.508 -0.447 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000968737654 662081931 /nfs/dbraw/zinc/08/19/31/662081931.db2.gz DHKBNFVBWFYBLM-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000968737654 662081930 /nfs/dbraw/zinc/08/19/30/662081930.db2.gz DHKBNFVBWFYBLM-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)N(C)C ZINC000969022528 662102939 /nfs/dbraw/zinc/10/29/39/662102939.db2.gz IRTMLYLNOCIKTJ-ILXRZTDVSA-N 1 3 352.479 -0.357 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1)N(C)C ZINC000969022529 662102973 /nfs/dbraw/zinc/10/29/73/662102973.db2.gz IRTMLYLNOCIKTJ-KFWWJZLASA-N 1 3 352.479 -0.357 20 0 FBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000969073917 662105814 /nfs/dbraw/zinc/10/58/14/662105814.db2.gz WFHAEWOEFBNJHF-KFWWJZLASA-N 1 3 352.479 -0.500 20 0 FBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000969073917 662105813 /nfs/dbraw/zinc/10/58/13/662105813.db2.gz WFHAEWOEFBNJHF-KFWWJZLASA-N 1 3 352.479 -0.500 20 0 FBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000969073918 662105900 /nfs/dbraw/zinc/10/59/00/662105900.db2.gz WFHAEWOEFBNJHF-ZNMIVQPWSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000969073918 662105899 /nfs/dbraw/zinc/10/58/99/662105899.db2.gz WFHAEWOEFBNJHF-ZNMIVQPWSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077698 662106278 /nfs/dbraw/zinc/10/62/78/662106278.db2.gz BYWRCLIMVAVCGV-BMFZPTHFSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077698 662106276 /nfs/dbraw/zinc/10/62/76/662106276.db2.gz BYWRCLIMVAVCGV-BMFZPTHFSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077699 662106163 /nfs/dbraw/zinc/10/61/63/662106163.db2.gz BYWRCLIMVAVCGV-IMJJTQAJSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000969077699 662106161 /nfs/dbraw/zinc/10/61/61/662106161.db2.gz BYWRCLIMVAVCGV-IMJJTQAJSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CCC1 ZINC000969090098 662106971 /nfs/dbraw/zinc/10/69/71/662106971.db2.gz LGQRDQLNYVYIGO-CABCVRRESA-N 1 3 350.463 -0.746 20 0 FBADHO CN(C)C1(C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)CCC1 ZINC000969092603 662107250 /nfs/dbraw/zinc/10/72/50/662107250.db2.gz KWGZJVSGMPSDLA-KGLIPLIRSA-N 1 3 350.463 -0.746 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)N(C)C ZINC000969092666 662107342 /nfs/dbraw/zinc/10/73/42/662107342.db2.gz NKDDOGQEORRMAU-ILXRZTDVSA-N 1 3 352.479 -0.644 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)N(C)C ZINC000969092667 662107217 /nfs/dbraw/zinc/10/72/17/662107217.db2.gz NKDDOGQEORRMAU-QLFBSQMISA-N 1 3 352.479 -0.644 20 0 FBADHO CN(C)[C@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CC1 ZINC000969092678 662107331 /nfs/dbraw/zinc/10/73/31/662107331.db2.gz NWFUELRQQYPCPQ-ILXRZTDVSA-N 1 3 350.463 -0.890 20 0 FBADHO CN(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)C1CC1 ZINC000969092679 662107288 /nfs/dbraw/zinc/10/72/88/662107288.db2.gz NWFUELRQQYPCPQ-QLFBSQMISA-N 1 3 350.463 -0.890 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092780 662107204 /nfs/dbraw/zinc/10/72/04/662107204.db2.gz SBLCOIBTBXRYLT-KFWWJZLASA-N 1 3 350.463 -0.746 20 0 FBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092781 662107301 /nfs/dbraw/zinc/10/73/01/662107301.db2.gz SBLCOIBTBXRYLT-ZNMIVQPWSA-N 1 3 350.463 -0.746 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092883 662107326 /nfs/dbraw/zinc/10/73/26/662107326.db2.gz WYGZMGSCENCBKY-KFWWJZLASA-N 1 3 350.463 -0.888 20 0 FBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092884 662107311 /nfs/dbraw/zinc/10/73/11/662107311.db2.gz WYGZMGSCENCBKY-ZNMIVQPWSA-N 1 3 350.463 -0.888 20 0 FBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)C1 ZINC000969508315 657152671 /nfs/dbraw/zinc/15/26/71/657152671.db2.gz HZHSRWNYGYRNGQ-KFWWJZLASA-N 1 3 352.479 -0.500 20 0 FBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)C1 ZINC000969508315 657152669 /nfs/dbraw/zinc/15/26/69/657152669.db2.gz HZHSRWNYGYRNGQ-KFWWJZLASA-N 1 3 352.479 -0.500 20 0 FBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)C1 ZINC000969508316 657152740 /nfs/dbraw/zinc/15/27/40/657152740.db2.gz HZHSRWNYGYRNGQ-ZNMIVQPWSA-N 1 3 352.479 -0.500 20 0 FBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)C1 ZINC000969508316 657152738 /nfs/dbraw/zinc/15/27/38/657152738.db2.gz HZHSRWNYGYRNGQ-ZNMIVQPWSA-N 1 3 352.479 -0.500 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1)N(C)C ZINC000969957426 657223341 /nfs/dbraw/zinc/22/33/41/657223341.db2.gz JDAHELMRFXHFSH-RBZJEDDUSA-N 1 3 354.495 -0.255 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1)N(C)C ZINC000969957426 657223339 /nfs/dbraw/zinc/22/33/39/657223339.db2.gz JDAHELMRFXHFSH-RBZJEDDUSA-N 1 3 354.495 -0.255 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1)N(C)C ZINC000969964285 657224118 /nfs/dbraw/zinc/22/41/18/657224118.db2.gz JDAHELMRFXHFSH-QMHWVQJVSA-N 1 3 354.495 -0.255 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1)N(C)C ZINC000969964285 657224114 /nfs/dbraw/zinc/22/41/14/657224114.db2.gz JDAHELMRFXHFSH-QMHWVQJVSA-N 1 3 354.495 -0.255 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000999188534 660410169 /nfs/dbraw/zinc/41/01/69/660410169.db2.gz BGTIYGWVZYHWRQ-BZUAXINKSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000999188534 660410168 /nfs/dbraw/zinc/41/01/68/660410168.db2.gz BGTIYGWVZYHWRQ-BZUAXINKSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC000999188537 660410121 /nfs/dbraw/zinc/41/01/21/660410121.db2.gz BGTIYGWVZYHWRQ-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000999188537 660410119 /nfs/dbraw/zinc/41/01/19/660410119.db2.gz BGTIYGWVZYHWRQ-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1 ZINC000999194437 660410071 /nfs/dbraw/zinc/41/00/71/660410071.db2.gz NTTVBZBJJCRDCG-INMHGKMJSA-N 1 3 352.479 -0.201 20 0 FBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1 ZINC000999194442 660410099 /nfs/dbraw/zinc/41/00/99/660410099.db2.gz NTTVBZBJJCRDCG-UXLLHSPISA-N 1 3 352.479 -0.201 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CCN(CCO)C3)nn2)CC[N@H+]1C ZINC000999987469 660419638 /nfs/dbraw/zinc/41/96/38/660419638.db2.gz OGRUGELDXGJPHK-HRCADAONSA-N 1 3 350.467 -0.136 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CCN(CCO)C3)nn2)CC[N@@H+]1C ZINC000999987469 660419637 /nfs/dbraw/zinc/41/96/37/660419637.db2.gz OGRUGELDXGJPHK-HRCADAONSA-N 1 3 350.467 -0.136 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CCN(CCO)C3)nn2)CC[N@H+]1C ZINC000999987471 660419675 /nfs/dbraw/zinc/41/96/75/660419675.db2.gz OGRUGELDXGJPHK-OWCLPIDISA-N 1 3 350.467 -0.136 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CCN(CCO)C3)nn2)CC[N@@H+]1C ZINC000999987471 660419674 /nfs/dbraw/zinc/41/96/74/660419674.db2.gz OGRUGELDXGJPHK-OWCLPIDISA-N 1 3 350.467 -0.136 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001018864920 662150051 /nfs/dbraw/zinc/15/00/51/662150051.db2.gz AOUWJQHAQWNMRM-QLFBSQMISA-N 1 3 358.508 -0.447 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCCN3CCCS3(=O)=O)C2)CC[N@@H+]1C ZINC001018864920 662150050 /nfs/dbraw/zinc/15/00/50/662150050.db2.gz AOUWJQHAQWNMRM-QLFBSQMISA-N 1 3 358.508 -0.447 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001018872312 662150047 /nfs/dbraw/zinc/15/00/47/662150047.db2.gz DHKBNFVBWFYBLM-HRCADAONSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001018872312 662150046 /nfs/dbraw/zinc/15/00/46/662150046.db2.gz DHKBNFVBWFYBLM-HRCADAONSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC001023691595 657917477 /nfs/dbraw/zinc/91/74/77/657917477.db2.gz MYXYZBIYXCUWDX-BZUAXINKSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC001023691596 657917553 /nfs/dbraw/zinc/91/75/53/657917553.db2.gz MYXYZBIYXCUWDX-OWCLPIDISA-N 1 3 354.495 -0.254 20 0 FBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@H]2O)C1 ZINC001023786833 657952214 /nfs/dbraw/zinc/95/22/14/657952214.db2.gz BUCWHNYJFDXXDE-RBSFLKMASA-N 1 3 352.479 -0.500 20 0 FBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@H]2O)C1 ZINC001023786833 657952211 /nfs/dbraw/zinc/95/22/11/657952211.db2.gz BUCWHNYJFDXXDE-RBSFLKMASA-N 1 3 352.479 -0.500 20 0 FBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@H]2O)C1 ZINC001023786834 657952100 /nfs/dbraw/zinc/95/21/00/657952100.db2.gz BUCWHNYJFDXXDE-RRFJBIMHSA-N 1 3 352.479 -0.500 20 0 FBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@H]2O)C1 ZINC001023786834 657952098 /nfs/dbraw/zinc/95/20/98/657952098.db2.gz BUCWHNYJFDXXDE-RRFJBIMHSA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2O)CC[N@H+]1C ZINC001023967556 658005620 /nfs/dbraw/zinc/00/56/20/658005620.db2.gz DXAZMAAQERWWBW-DTZQCDIJSA-N 1 3 352.479 -0.501 20 0 FBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023967556 658005615 /nfs/dbraw/zinc/00/56/15/658005615.db2.gz DXAZMAAQERWWBW-DTZQCDIJSA-N 1 3 352.479 -0.501 20 0 FBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2O)CC[N@H+]1C ZINC001023969044 658005444 /nfs/dbraw/zinc/00/54/44/658005444.db2.gz DUFFPYQQGMSUBE-KBUPBQIOSA-N 1 3 352.479 -0.501 20 0 FBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023969044 658005436 /nfs/dbraw/zinc/00/54/36/658005436.db2.gz DUFFPYQQGMSUBE-KBUPBQIOSA-N 1 3 352.479 -0.501 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024415884 658148684 /nfs/dbraw/zinc/14/86/84/658148684.db2.gz FROZUCBXEMSAAG-FVQBIDKESA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024415885 658148852 /nfs/dbraw/zinc/14/88/52/658148852.db2.gz FROZUCBXEMSAAG-NUEKZKHPSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001024415888 658148958 /nfs/dbraw/zinc/14/89/58/658148958.db2.gz FSRKKOXTLAAMCV-BZUAXINKSA-N 1 3 352.479 -0.644 20 0 FBADHO CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001024415891 658148906 /nfs/dbraw/zinc/14/89/06/658148906.db2.gz FSRKKOXTLAAMCV-OAGGEKHMSA-N 1 3 352.479 -0.644 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416421 658149676 /nfs/dbraw/zinc/14/96/76/658149676.db2.gz RBEKPBGFQWZWEQ-FVQBIDKESA-N 1 3 352.479 -0.642 20 0 FBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416423 658149856 /nfs/dbraw/zinc/14/98/56/658149856.db2.gz RBEKPBGFQWZWEQ-NUEKZKHPSA-N 1 3 352.479 -0.642 20 0 FBADHO 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CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039859128 662164047 /nfs/dbraw/zinc/16/40/47/662164047.db2.gz YAQAGWMJRYWMNA-RKVPGOIHSA-N 1 3 354.495 -0.252 20 0 FBADHO CCCN(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039859128 662164044 /nfs/dbraw/zinc/16/40/44/662164044.db2.gz YAQAGWMJRYWMNA-RKVPGOIHSA-N 1 3 354.495 -0.252 20 0 FBADHO CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039868195 662164282 /nfs/dbraw/zinc/16/42/82/662164282.db2.gz YRLBGKVWQCDIGE-IIDMSEBBSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039868195 662164281 /nfs/dbraw/zinc/16/42/81/662164281.db2.gz YRLBGKVWQCDIGE-IIDMSEBBSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001039868196 662164319 /nfs/dbraw/zinc/16/43/19/662164319.db2.gz YRLBGKVWQCDIGE-RKVPGOIHSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001039868196 662164317 /nfs/dbraw/zinc/16/43/17/662164317.db2.gz YRLBGKVWQCDIGE-RKVPGOIHSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040103874 662165321 /nfs/dbraw/zinc/16/53/21/662165321.db2.gz GIDWLKWUEDMLBU-IIDMSEBBSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040103874 662165318 /nfs/dbraw/zinc/16/53/18/662165318.db2.gz GIDWLKWUEDMLBU-IIDMSEBBSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040103875 662165221 /nfs/dbraw/zinc/16/52/21/662165221.db2.gz GIDWLKWUEDMLBU-RKVPGOIHSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040103875 662165219 /nfs/dbraw/zinc/16/52/19/662165219.db2.gz GIDWLKWUEDMLBU-RKVPGOIHSA-N 1 3 354.495 -0.254 20 0 FBADHO CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040449822 662170440 /nfs/dbraw/zinc/17/04/40/662170440.db2.gz MAHMHBWVVCDWLM-IIDMSEBBSA-N 1 3 354.495 -0.252 20 0 FBADHO CCCN(C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040449822 662170438 /nfs/dbraw/zinc/17/04/38/662170438.db2.gz MAHMHBWVVCDWLM-IIDMSEBBSA-N 1 3 354.495 -0.252 20 0 FBADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001040449823 662170575 /nfs/dbraw/zinc/17/05/75/662170575.db2.gz MAHMHBWVVCDWLM-RKVPGOIHSA-N 1 3 354.495 -0.252 20 0 FBADHO CCCN(C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001040449823 662170572 /nfs/dbraw/zinc/17/05/72/662170572.db2.gz MAHMHBWVVCDWLM-RKVPGOIHSA-N 1 3 354.495 -0.252 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001043160076 662223209 /nfs/dbraw/zinc/22/32/09/662223209.db2.gz SYUFOCDYMJVSMY-LSDHHAIUSA-N 1 3 354.495 -0.252 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001043160076 662223208 /nfs/dbraw/zinc/22/32/08/662223208.db2.gz SYUFOCDYMJVSMY-LSDHHAIUSA-N 1 3 354.495 -0.252 20 0 FBADHO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001043261780 662226574 /nfs/dbraw/zinc/22/65/74/662226574.db2.gz QDJVXWAUNSWGJM-KFWWJZLASA-N 1 3 354.495 -0.398 20 0 FBADHO CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001043261780 662226572 /nfs/dbraw/zinc/22/65/72/662226572.db2.gz QDJVXWAUNSWGJM-KFWWJZLASA-N 1 3 354.495 -0.398 20 0 FBADHO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001043261781 662226711 /nfs/dbraw/zinc/22/67/11/662226711.db2.gz QDJVXWAUNSWGJM-RBSFLKMASA-N 1 3 354.495 -0.398 20 0 FBADHO CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001043261781 662226708 /nfs/dbraw/zinc/22/67/08/662226708.db2.gz QDJVXWAUNSWGJM-RBSFLKMASA-N 1 3 354.495 -0.398 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001043262199 662226693 /nfs/dbraw/zinc/22/66/93/662226693.db2.gz AUSVOHMZHZGASD-RBSFLKMASA-N 1 3 352.479 -0.642 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001043262199 662226689 /nfs/dbraw/zinc/22/66/89/662226689.db2.gz AUSVOHMZHZGASD-RBSFLKMASA-N 1 3 352.479 -0.642 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC001043262203 662226727 /nfs/dbraw/zinc/22/67/27/662226727.db2.gz AUSVOHMZHZGASD-RRFJBIMHSA-N 1 3 352.479 -0.642 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001043262203 662226725 /nfs/dbraw/zinc/22/67/25/662226725.db2.gz AUSVOHMZHZGASD-RRFJBIMHSA-N 1 3 352.479 -0.642 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043262281 662226654 /nfs/dbraw/zinc/22/66/54/662226654.db2.gz BJNDRMBSENOSBW-ZIAGYGMSSA-N 1 3 354.495 -0.254 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043262281 662226651 /nfs/dbraw/zinc/22/66/51/662226651.db2.gz BJNDRMBSENOSBW-ZIAGYGMSSA-N 1 3 354.495 -0.254 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001043262447 662226790 /nfs/dbraw/zinc/22/67/90/662226790.db2.gz CRXUUAJAZXOREW-ZIAGYGMSSA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001043262447 662226786 /nfs/dbraw/zinc/22/67/86/662226786.db2.gz CRXUUAJAZXOREW-ZIAGYGMSSA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001043262453 662226745 /nfs/dbraw/zinc/22/67/45/662226745.db2.gz CVBPAGVYUACQMY-RBSFLKMASA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043262453 662226742 /nfs/dbraw/zinc/22/67/42/662226742.db2.gz CVBPAGVYUACQMY-RBSFLKMASA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC001043262456 662226615 /nfs/dbraw/zinc/22/66/15/662226615.db2.gz CVBPAGVYUACQMY-RRFJBIMHSA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC001043262456 662226613 /nfs/dbraw/zinc/22/66/13/662226613.db2.gz CVBPAGVYUACQMY-RRFJBIMHSA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC001043263356 662226852 /nfs/dbraw/zinc/22/68/52/662226852.db2.gz JMVSYSJJWWGVTD-BPLDGKMQSA-N 1 3 352.479 -0.644 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC001043263356 662226849 /nfs/dbraw/zinc/22/68/49/662226849.db2.gz JMVSYSJJWWGVTD-BPLDGKMQSA-N 1 3 352.479 -0.644 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@H+]1C ZINC001043263357 662226586 /nfs/dbraw/zinc/22/65/86/662226586.db2.gz JMVSYSJJWWGVTD-YUELXQCFSA-N 1 3 352.479 -0.644 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC[N@@H+]1C ZINC001043263357 662226584 /nfs/dbraw/zinc/22/65/84/662226584.db2.gz JMVSYSJJWWGVTD-YUELXQCFSA-N 1 3 352.479 -0.644 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001043264725 662227135 /nfs/dbraw/zinc/22/71/35/662227135.db2.gz UUVBDGIKWXLUJT-UKRRQHHQSA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001043264725 662227132 /nfs/dbraw/zinc/22/71/32/662227132.db2.gz UUVBDGIKWXLUJT-UKRRQHHQSA-N 1 3 352.479 -0.500 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001043271306 662227707 /nfs/dbraw/zinc/22/77/07/662227707.db2.gz FZZHGUPDKZEKSK-LSDHHAIUSA-N 1 3 354.495 -0.252 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001043271306 662227704 /nfs/dbraw/zinc/22/77/04/662227704.db2.gz FZZHGUPDKZEKSK-LSDHHAIUSA-N 1 3 354.495 -0.252 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001043271613 662227659 /nfs/dbraw/zinc/22/76/59/662227659.db2.gz ITUMPCYZAYJIJD-LSDHHAIUSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001043271613 662227657 /nfs/dbraw/zinc/22/76/57/662227657.db2.gz ITUMPCYZAYJIJD-LSDHHAIUSA-N 1 3 354.495 -0.254 20 0 FBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043271973 662227742 /nfs/dbraw/zinc/22/77/42/662227742.db2.gz MINCRRRJAWIJRR-LSDHHAIUSA-N 1 3 354.495 -0.252 20 0 FBADHO CCCN(C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001043271973 662227740 /nfs/dbraw/zinc/22/77/40/662227740.db2.gz MINCRRRJAWIJRR-LSDHHAIUSA-N 1 3 354.495 -0.252 20 0 FBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC001043273284 662227731 /nfs/dbraw/zinc/22/77/31/662227731.db2.gz ZLECMALJTAZNOU-RRFJBIMHSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC001043273284 662227729 /nfs/dbraw/zinc/22/77/29/662227729.db2.gz ZLECMALJTAZNOU-RRFJBIMHSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC001043273286 662228022 /nfs/dbraw/zinc/22/80/22/662228022.db2.gz ZLECMALJTAZNOU-ZNMIVQPWSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC001043273286 662228020 /nfs/dbraw/zinc/22/80/20/662228020.db2.gz ZLECMALJTAZNOU-ZNMIVQPWSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001043431950 662230421 /nfs/dbraw/zinc/23/04/21/662230421.db2.gz VNAAYWYNWIGYEA-LSDHHAIUSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001043431950 662230419 /nfs/dbraw/zinc/23/04/19/662230419.db2.gz VNAAYWYNWIGYEA-LSDHHAIUSA-N 1 3 354.495 -0.254 20 0 FBADHO 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CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)N(C)C ZINC001057745893 662424254 /nfs/dbraw/zinc/42/42/54/662424254.db2.gz GIWJUQHEXCFHNI-XHSDSOJGSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)N(C)C ZINC001057745893 662424251 /nfs/dbraw/zinc/42/42/51/662424251.db2.gz GIWJUQHEXCFHNI-XHSDSOJGSA-N 1 3 356.511 -0.006 20 0 FBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057745985 662424330 /nfs/dbraw/zinc/42/43/30/662424330.db2.gz JOUAXUJETMGIDZ-JKSUJKDBSA-N 1 3 356.511 -0.004 20 0 FBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001057745985 662424329 /nfs/dbraw/zinc/42/43/29/662424329.db2.gz JOUAXUJETMGIDZ-JKSUJKDBSA-N 1 3 356.511 -0.004 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CN(C)C(C)C)CC[N@H+]1C ZINC001057747419 662424617 /nfs/dbraw/zinc/42/46/17/662424617.db2.gz ZQYXCHKRSAFQPO-JKSUJKDBSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CN(C)C(C)C)CC[N@@H+]1C ZINC001057747419 662424615 /nfs/dbraw/zinc/42/46/15/662424615.db2.gz ZQYXCHKRSAFQPO-JKSUJKDBSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CN(C)C(C)C)CC[N@H+]1C ZINC001057864236 662428271 /nfs/dbraw/zinc/42/82/71/662428271.db2.gz ICPKUYWQMANROM-JKSUJKDBSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CN(C)C(C)C)CC[N@@H+]1C ZINC001057864236 662428268 /nfs/dbraw/zinc/42/82/68/662428268.db2.gz ICPKUYWQMANROM-JKSUJKDBSA-N 1 3 356.511 -0.006 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001057875325 662428370 /nfs/dbraw/zinc/42/83/70/662428370.db2.gz QXKQUZLSTXPVKT-HUUCEWRRSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001057875325 662428366 /nfs/dbraw/zinc/42/83/66/662428366.db2.gz QXKQUZLSTXPVKT-HUUCEWRRSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C2CC2)N(C)C)CC[N@H+]1C ZINC001057876182 662428599 /nfs/dbraw/zinc/42/85/99/662428599.db2.gz DJVCQVHBHPLWPV-BMFZPTHFSA-N 1 3 354.495 -0.396 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C2CC2)N(C)C)CC[N@@H+]1C ZINC001057876182 662428596 /nfs/dbraw/zinc/42/85/96/662428596.db2.gz DJVCQVHBHPLWPV-BMFZPTHFSA-N 1 3 354.495 -0.396 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C2CC2)N(C)C)CC[N@H+]1C ZINC001057876183 662428496 /nfs/dbraw/zinc/42/84/96/662428496.db2.gz DJVCQVHBHPLWPV-FVQBIDKESA-N 1 3 354.495 -0.396 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C2CC2)N(C)C)CC[N@@H+]1C ZINC001057876183 662428493 /nfs/dbraw/zinc/42/84/93/662428493.db2.gz DJVCQVHBHPLWPV-FVQBIDKESA-N 1 3 354.495 -0.396 20 0 FBADHO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001057883284 662428840 /nfs/dbraw/zinc/42/88/40/662428840.db2.gz DUVJKRAUHUEOFQ-OAGGEKHMSA-N 1 3 356.511 -0.150 20 0 FBADHO CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001057883284 662428835 /nfs/dbraw/zinc/42/88/35/662428835.db2.gz DUVJKRAUHUEOFQ-OAGGEKHMSA-N 1 3 356.511 -0.150 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001057903446 662429396 /nfs/dbraw/zinc/42/93/96/662429396.db2.gz KBVKDAFLAKHEND-GDBMZVCRSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001057903446 662429393 /nfs/dbraw/zinc/42/93/93/662429393.db2.gz KBVKDAFLAKHEND-GDBMZVCRSA-N 1 3 354.495 -0.252 20 0 FBADHO CCN(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001057942686 662430051 /nfs/dbraw/zinc/43/00/51/662430051.db2.gz QCVUVYUBEGYLGD-HUUCEWRRSA-N 1 3 356.511 -0.006 20 0 FBADHO CCN(C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057942686 662430048 /nfs/dbraw/zinc/43/00/48/662430048.db2.gz QCVUVYUBEGYLGD-HUUCEWRRSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)N(C)C ZINC001057975432 662434704 /nfs/dbraw/zinc/43/47/04/662434704.db2.gz RWCBRRVXFCVWQO-ARFHVFGLSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)N(C)C ZINC001057975432 662434702 /nfs/dbraw/zinc/43/47/02/662434702.db2.gz RWCBRRVXFCVWQO-ARFHVFGLSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)N(C)C ZINC001058169974 662437870 /nfs/dbraw/zinc/43/78/70/662437870.db2.gz RWCBRRVXFCVWQO-XHSDSOJGSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)N(C)C ZINC001058169974 662437869 /nfs/dbraw/zinc/43/78/69/662437869.db2.gz RWCBRRVXFCVWQO-XHSDSOJGSA-N 1 3 356.511 -0.006 20 0 FBADHO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001058250697 660457141 /nfs/dbraw/zinc/45/71/41/660457141.db2.gz DUVJKRAUHUEOFQ-BZUAXINKSA-N 1 3 356.511 -0.150 20 0 FBADHO CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001058250697 660457140 /nfs/dbraw/zinc/45/71/40/660457140.db2.gz DUVJKRAUHUEOFQ-BZUAXINKSA-N 1 3 356.511 -0.150 20 0 FBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001058255181 662439931 /nfs/dbraw/zinc/43/99/31/662439931.db2.gz GGXIECCKVDFGET-JKSUJKDBSA-N 1 3 356.511 -0.004 20 0 FBADHO CCCN(C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001058255181 662439928 /nfs/dbraw/zinc/43/99/28/662439928.db2.gz GGXIECCKVDFGET-JKSUJKDBSA-N 1 3 356.511 -0.004 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC001058845033 679533853 /nfs/dbraw/zinc/53/38/53/679533853.db2.gz CQYZPUHVPYGSCW-ARFHVFGLSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC001058845033 679533850 /nfs/dbraw/zinc/53/38/50/679533850.db2.gz CQYZPUHVPYGSCW-ARFHVFGLSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001058845034 679533694 /nfs/dbraw/zinc/53/36/94/679533694.db2.gz CQYZPUHVPYGSCW-BZUAXINKSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001058845034 679533690 /nfs/dbraw/zinc/53/36/90/679533690.db2.gz CQYZPUHVPYGSCW-BZUAXINKSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC001058847253 679533950 /nfs/dbraw/zinc/53/39/50/679533950.db2.gz PSBXOMWEDCWURO-ARFHVFGLSA-N 1 3 354.495 -0.395 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC001058847253 679533946 /nfs/dbraw/zinc/53/39/46/679533946.db2.gz PSBXOMWEDCWURO-ARFHVFGLSA-N 1 3 354.495 -0.395 20 0 FBADHO C[C@@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001058847254 679533759 /nfs/dbraw/zinc/53/37/59/679533759.db2.gz PSBXOMWEDCWURO-BZUAXINKSA-N 1 3 354.495 -0.395 20 0 FBADHO C[C@@H]1CCN(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001058847254 679533754 /nfs/dbraw/zinc/53/37/54/679533754.db2.gz PSBXOMWEDCWURO-BZUAXINKSA-N 1 3 354.495 -0.395 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001058949124 679547042 /nfs/dbraw/zinc/54/70/42/679547042.db2.gz KCZDVVGCTMUGHW-LSDHHAIUSA-N 1 3 351.451 -0.380 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001058949124 679547041 /nfs/dbraw/zinc/54/70/41/679547041.db2.gz KCZDVVGCTMUGHW-LSDHHAIUSA-N 1 3 351.451 -0.380 20 0 FBADHO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060097 842233185 /nfs/dbraw/zinc/23/31/85/842233185.db2.gz DBMVWHUDIDBBFF-OAGGEKHMSA-N 1 3 350.467 -0.268 20 0 FBADHO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060097 842233176 /nfs/dbraw/zinc/23/31/76/842233176.db2.gz DBMVWHUDIDBBFF-OAGGEKHMSA-N 1 3 350.467 -0.268 20 0 FBADHO C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060098 842233529 /nfs/dbraw/zinc/23/35/29/842233529.db2.gz DBMVWHUDIDBBFF-XHSDSOJGSA-N 1 3 350.467 -0.268 20 0 FBADHO C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060098 842233514 /nfs/dbraw/zinc/23/35/14/842233514.db2.gz DBMVWHUDIDBBFF-XHSDSOJGSA-N 1 3 350.467 -0.268 20 0 FBADHO CC1CCN(CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070060266 842233661 /nfs/dbraw/zinc/23/36/61/842233661.db2.gz MTCGJUFGVIHNQS-CVEARBPZSA-N 1 3 350.467 -0.266 20 0 FBADHO CC1CCN(CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070060266 842233653 /nfs/dbraw/zinc/23/36/53/842233653.db2.gz MTCGJUFGVIHNQS-CVEARBPZSA-N 1 3 350.467 -0.266 20 0 FBADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)N1CCCCC1 ZINC001070194917 842261032 /nfs/dbraw/zinc/26/10/32/842261032.db2.gz UVIJBURGHDKBMV-CABCVRRESA-N 1 3 350.467 -0.124 20 0 FBADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275266 842278077 /nfs/dbraw/zinc/27/80/77/842278077.db2.gz DCZCDOSFJBDAAJ-KFWWJZLASA-N 1 3 350.467 -0.268 20 0 FBADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275267 842277971 /nfs/dbraw/zinc/27/79/71/842277971.db2.gz DCZCDOSFJBDAAJ-ZNMIVQPWSA-N 1 3 350.467 -0.268 20 0 FBADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070289708 842280742 /nfs/dbraw/zinc/28/07/42/842280742.db2.gz RHSDSXVRDJOECY-OAGGEKHMSA-N 1 3 350.467 -0.125 20 0 FBADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070289709 842280711 /nfs/dbraw/zinc/28/07/11/842280711.db2.gz RHSDSXVRDJOECY-PMPSAXMXSA-N 1 3 350.467 -0.125 20 0 FBADHO C[C@H](CN1CCOCC1)C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070328285 842285343 /nfs/dbraw/zinc/28/53/43/842285343.db2.gz VBXCGWSIRFTVGH-KFWWJZLASA-N 1 3 354.430 -0.443 20 0 FBADHO C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070328286 842285991 /nfs/dbraw/zinc/28/59/91/842285991.db2.gz VBXCGWSIRFTVGH-ZNMIVQPWSA-N 1 3 354.430 -0.443 20 0 FBADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CN(C)CCO2)n[nH]1 ZINC001070354320 842287632 /nfs/dbraw/zinc/28/76/32/842287632.db2.gz CCNOLDORBGFYFO-AVGNSLFASA-N 1 3 352.439 -0.767 20 0 FBADHO CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CN(C)CCO2)n[nH]1 ZINC001070354321 842288900 /nfs/dbraw/zinc/28/89/00/842288900.db2.gz CCNOLDORBGFYFO-RWMBFGLXSA-N 1 3 352.439 -0.767 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC[N@H+]1C ZINC001071056991 842329413 /nfs/dbraw/zinc/32/94/13/842329413.db2.gz WFJQFMNVJRTSIG-MMTVNHQJSA-N 1 3 352.479 -0.202 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC[N@@H+]1C ZINC001071056991 842329404 /nfs/dbraw/zinc/32/94/04/842329404.db2.gz WFJQFMNVJRTSIG-MMTVNHQJSA-N 1 3 352.479 -0.202 20 0 FBADHO CN(C)C1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)CCC1 ZINC001071061044 842329823 /nfs/dbraw/zinc/32/98/23/842329823.db2.gz KZEMGJXKHRNLKA-ZBFHGGJFSA-N 1 3 352.479 -0.058 20 0 FBADHO CN(CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001071062239 842330492 /nfs/dbraw/zinc/33/04/92/842330492.db2.gz RICNRYYAQHMPAP-QAPCUYQASA-N 1 3 352.479 -0.058 20 0 FBADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)C1CC1 ZINC001071062256 842330317 /nfs/dbraw/zinc/33/03/17/842330317.db2.gz SHAHIGZCIJWWLG-OIISXLGYSA-N 1 3 352.479 -0.202 20 0 FBADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)C1CC1 ZINC001071062257 842330581 /nfs/dbraw/zinc/33/05/81/842330581.db2.gz SHAHIGZCIJWWLG-PVAVHDDUSA-N 1 3 352.479 -0.202 20 0 FBADHO CN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071066240 842330447 /nfs/dbraw/zinc/33/04/47/842330447.db2.gz IQUYIDLBJJLWIT-INMHGKMJSA-N 1 3 352.479 -0.058 20 0 FBADHO CN1CCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071066241 842329975 /nfs/dbraw/zinc/32/99/75/842329975.db2.gz IQUYIDLBJJLWIT-VYDXJSESSA-N 1 3 352.479 -0.058 20 0 FBADHO C[NH+]1CCC(C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC1 ZINC001071082809 842330956 /nfs/dbraw/zinc/33/09/56/842330956.db2.gz QFXYPBUOOYAHKV-WBVHZDCISA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071086144 842331997 /nfs/dbraw/zinc/33/19/97/842331997.db2.gz RFGLOHNSEJCOQU-JOQOYGCGSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071086145 842332422 /nfs/dbraw/zinc/33/24/22/842332422.db2.gz RFGLOHNSEJCOQU-SIIHOXLZSA-N 1 3 352.479 -0.058 20 0 FBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)C1 ZINC001071098421 842332348 /nfs/dbraw/zinc/33/23/48/842332348.db2.gz MSVMYNAYBMUXFA-JOQOYGCGSA-N 1 3 352.479 -0.201 20 0 FBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)C1 ZINC001071098421 842332334 /nfs/dbraw/zinc/33/23/34/842332334.db2.gz MSVMYNAYBMUXFA-JOQOYGCGSA-N 1 3 352.479 -0.201 20 0 FBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)C1 ZINC001071098422 842331939 /nfs/dbraw/zinc/33/19/39/842331939.db2.gz MSVMYNAYBMUXFA-SIIHOXLZSA-N 1 3 352.479 -0.201 20 0 FBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)C1 ZINC001071098422 842331930 /nfs/dbraw/zinc/33/19/30/842331930.db2.gz MSVMYNAYBMUXFA-SIIHOXLZSA-N 1 3 352.479 -0.201 20 0 FBADHO NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071098709 842332068 /nfs/dbraw/zinc/33/20/68/842332068.db2.gz BCRKRVFDIKZKIC-ZBFHGGJFSA-N 1 3 350.463 -0.447 20 0 FBADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001071104238 842333744 /nfs/dbraw/zinc/33/37/44/842333744.db2.gz NFJDHEHAHLFXLC-LXZKKBNFSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001071104239 842334220 /nfs/dbraw/zinc/33/42/20/842334220.db2.gz NFJDHEHAHLFXLC-UNEWFSDZSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001074661668 842369416 /nfs/dbraw/zinc/36/94/16/842369416.db2.gz FCIGIILBECUOQW-QXSJWSMHSA-N 1 3 352.479 -0.236 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074661668 842369401 /nfs/dbraw/zinc/36/94/01/842369401.db2.gz FCIGIILBECUOQW-QXSJWSMHSA-N 1 3 352.479 -0.236 20 0 FBADHO C[NH+]1CCC(OCC(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076407656 836547093 /nfs/dbraw/zinc/54/70/93/836547093.db2.gz PEVBFXONPBODDI-CWRNSKLLSA-N 1 3 350.463 -0.482 20 0 FBADHO C[NH+]1CCC(OCC(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076407657 836547937 /nfs/dbraw/zinc/54/79/37/836547937.db2.gz PEVBFXONPBODDI-NUEKZKHPSA-N 1 3 350.463 -0.482 20 0 FBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077014194 836656676 /nfs/dbraw/zinc/65/66/76/836656676.db2.gz IFFZCEWADPMGLS-FVQBIDKESA-N 1 3 351.451 -0.744 20 0 FBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077014195 836656247 /nfs/dbraw/zinc/65/62/47/836656247.db2.gz IFFZCEWADPMGLS-NUEKZKHPSA-N 1 3 351.451 -0.744 20 0 FBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001077618966 837254117 /nfs/dbraw/zinc/25/41/17/837254117.db2.gz XJOHYUUEKARWDU-FVQBIDKESA-N 1 3 352.479 -0.594 20 0 FBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001077618967 837254805 /nfs/dbraw/zinc/25/48/05/837254805.db2.gz XJOHYUUEKARWDU-NUEKZKHPSA-N 1 3 352.479 -0.594 20 0 FBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)cn1 ZINC001077818220 837349574 /nfs/dbraw/zinc/34/95/74/837349574.db2.gz LDEXPVQEQQTWQH-FVQBIDKESA-N 1 3 351.451 -0.744 20 0 FBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)cn1 ZINC001077818221 837350267 /nfs/dbraw/zinc/35/02/67/837350267.db2.gz LDEXPVQEQQTWQH-NUEKZKHPSA-N 1 3 351.451 -0.744 20 0 FBADHO O=C(N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011776 837431621 /nfs/dbraw/zinc/43/16/21/837431621.db2.gz HDJHRIVRUTVRQK-RBSFLKMASA-N 1 3 350.463 -0.840 20 0 FBADHO O=C(N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011777 837431210 /nfs/dbraw/zinc/43/12/10/837431210.db2.gz HDJHRIVRUTVRQK-RRFJBIMHSA-N 1 3 350.463 -0.840 20 0 FBADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080936340 838118763 /nfs/dbraw/zinc/11/87/63/838118763.db2.gz TYGNXQKBFWNGHV-HZSPNIEDSA-N 1 3 351.451 -0.684 20 0 FBADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080936340 838118757 /nfs/dbraw/zinc/11/87/57/838118757.db2.gz TYGNXQKBFWNGHV-HZSPNIEDSA-N 1 3 351.451 -0.684 20 0 FBADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080936341 838118819 /nfs/dbraw/zinc/11/88/19/838118819.db2.gz TYGNXQKBFWNGHV-MGPQQGTHSA-N 1 3 351.451 -0.684 20 0 FBADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080936341 838118817 /nfs/dbraw/zinc/11/88/17/838118817.db2.gz TYGNXQKBFWNGHV-MGPQQGTHSA-N 1 3 351.451 -0.684 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1NCC(N)=O ZINC001082518391 838817630 /nfs/dbraw/zinc/81/76/30/838817630.db2.gz NJPRVLMXRAXDSM-MMTVNHQJSA-N 1 3 352.479 -0.345 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082521108 838818744 /nfs/dbraw/zinc/81/87/44/838818744.db2.gz NMSZGPQBMADGNZ-KLHDSHLOSA-N 1 3 352.479 -0.378 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082521108 838818733 /nfs/dbraw/zinc/81/87/33/838818733.db2.gz NMSZGPQBMADGNZ-KLHDSHLOSA-N 1 3 352.479 -0.378 20 0 FBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082557360 838825670 /nfs/dbraw/zinc/82/56/70/838825670.db2.gz ZHKHYNLHYLENJF-CHWSQXEVSA-N 1 3 351.451 -0.541 20 0 FBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082557552 838825846 /nfs/dbraw/zinc/82/58/46/838825846.db2.gz NDQBYBFENRNUOE-HUUCEWRRSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082559542 838825258 /nfs/dbraw/zinc/82/52/58/838825258.db2.gz IOKHNRDHPGSEDR-KYOSRNDESA-N 1 3 351.451 -0.685 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082559543 838825377 /nfs/dbraw/zinc/82/53/77/838825377.db2.gz IOKHNRDHPGSEDR-UXIGCNINSA-N 1 3 351.451 -0.685 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082559914 838825989 /nfs/dbraw/zinc/82/59/89/838825989.db2.gz SMPSSHUMELGDOV-FRFSOERESA-N 1 3 352.479 -0.378 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082559915 838826353 /nfs/dbraw/zinc/82/63/53/838826353.db2.gz SMPSSHUMELGDOV-UNEWFSDZSA-N 1 3 352.479 -0.378 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082560131 838824967 /nfs/dbraw/zinc/82/49/67/838824967.db2.gz BECSCMBTWHKDIG-MRRJBJDNSA-N 1 3 350.463 -0.088 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082560132 838826038 /nfs/dbraw/zinc/82/60/38/838826038.db2.gz BECSCMBTWHKDIG-SUYBPPKGSA-N 1 3 350.463 -0.088 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082561865 838826168 /nfs/dbraw/zinc/82/61/68/838826168.db2.gz WYVVHDHPSYBFCI-TZMCWYRMSA-N 1 3 351.451 -0.541 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082562108 838826242 /nfs/dbraw/zinc/82/62/42/838826242.db2.gz OMOIEBWNQPWHCQ-GDBMZVCRSA-N 1 3 352.479 -0.234 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001082575513 838828871 /nfs/dbraw/zinc/82/88/71/838828871.db2.gz KODJENBPKHQJNR-NFAWXSAZSA-N 1 3 353.467 -0.439 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)N(C)C ZINC001082589208 838828558 /nfs/dbraw/zinc/82/85/58/838828558.db2.gz OKOMMRWWNYJGGI-RBSFLKMASA-N 1 3 360.524 -0.201 20 0 FBADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082719802 838851746 /nfs/dbraw/zinc/85/17/46/838851746.db2.gz NLZOEVFWWPYPHV-GDBMZVCRSA-N 1 3 352.479 -0.377 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001082724796 838854390 /nfs/dbraw/zinc/85/43/90/838854390.db2.gz KODJENBPKHQJNR-UMVBOHGHSA-N 1 3 353.467 -0.439 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082740830 838854754 /nfs/dbraw/zinc/85/47/54/838854754.db2.gz HTALDOVKACZYRT-BZUAXINKSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082740831 838855352 /nfs/dbraw/zinc/85/53/52/838855352.db2.gz HTALDOVKACZYRT-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082741332 838855135 /nfs/dbraw/zinc/85/51/35/838855135.db2.gz XWRSWKFCZMWSJB-HZSPNIEDSA-N 1 3 351.451 -0.541 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082741333 838855817 /nfs/dbraw/zinc/85/58/17/838855817.db2.gz XWRSWKFCZMWSJB-MGPQQGTHSA-N 1 3 351.451 -0.541 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082742346 838855597 /nfs/dbraw/zinc/85/55/97/838855597.db2.gz BPMDXGMEEJFIDB-BFHYXJOUSA-N 1 3 351.451 -0.684 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001082742347 838855886 /nfs/dbraw/zinc/85/58/86/838855886.db2.gz BPMDXGMEEJFIDB-MGPQQGTHSA-N 1 3 351.451 -0.684 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001082742680 838854862 /nfs/dbraw/zinc/85/48/62/838854862.db2.gz OPXYRNBQGYIWSI-RBSFLKMASA-N 1 3 350.463 -0.086 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082742681 838855543 /nfs/dbraw/zinc/85/55/43/838855543.db2.gz OPXYRNBQGYIWSI-RRFJBIMHSA-N 1 3 350.463 -0.086 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082742992 838855313 /nfs/dbraw/zinc/85/53/13/838855313.db2.gz ZXDIOKKWIGGSKT-ARFHVFGLSA-N 1 3 352.479 -0.377 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001082742993 838855185 /nfs/dbraw/zinc/85/51/85/838855185.db2.gz ZXDIOKKWIGGSKT-BZUAXINKSA-N 1 3 352.479 -0.377 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082744122 838854981 /nfs/dbraw/zinc/85/49/81/838854981.db2.gz UJDRYKDZTAHBHU-HZSPNIEDSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082744123 838855754 /nfs/dbraw/zinc/85/57/54/838855754.db2.gz UJDRYKDZTAHBHU-MGPQQGTHSA-N 1 3 350.463 -0.040 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)N(C)C ZINC001082747370 838848725 /nfs/dbraw/zinc/84/87/25/838848725.db2.gz OKOMMRWWNYJGGI-KFWWJZLASA-N 1 3 360.524 -0.201 20 0 FBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001082766650 838856759 /nfs/dbraw/zinc/85/67/59/838856759.db2.gz PBPPXFRNDJLEAA-UMVBOHGHSA-N 1 3 369.491 -0.330 20 0 FBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001082766651 838857643 /nfs/dbraw/zinc/85/76/43/838857643.db2.gz PBPPXFRNDJLEAA-VNHYZAJKSA-N 1 3 369.491 -0.330 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082822274 838868574 /nfs/dbraw/zinc/86/85/74/838868574.db2.gz VDCRRIBDRUESCF-QLFBSQMISA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082822275 838868877 /nfs/dbraw/zinc/86/88/77/838868877.db2.gz VDCRRIBDRUESCF-RBSFLKMASA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001082828176 838869243 /nfs/dbraw/zinc/86/92/43/838869243.db2.gz WOVHWCSUVIAWSZ-GDBMZVCRSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCc1cnnn1C ZINC001082828179 838869338 /nfs/dbraw/zinc/86/93/38/838869338.db2.gz WWDXJWZGWJVRMT-CZUORRHYSA-N 1 3 350.467 -0.138 20 0 FBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082828803 838869377 /nfs/dbraw/zinc/86/93/77/838869377.db2.gz JCZHPTKATFUTHV-FVQBIDKESA-N 1 3 352.479 -0.236 20 0 FBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082828804 838868790 /nfs/dbraw/zinc/86/87/90/838868790.db2.gz JCZHPTKATFUTHV-VNQPRFMTSA-N 1 3 352.479 -0.236 20 0 FBADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082861655 838874060 /nfs/dbraw/zinc/87/40/60/838874060.db2.gz KEYPFLJATMGLIW-BZUAXINKSA-N 1 3 352.479 -0.377 20 0 FBADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082861655 838874050 /nfs/dbraw/zinc/87/40/50/838874050.db2.gz KEYPFLJATMGLIW-BZUAXINKSA-N 1 3 352.479 -0.377 20 0 FBADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082861656 838874743 /nfs/dbraw/zinc/87/47/43/838874743.db2.gz KEYPFLJATMGLIW-OWCLPIDISA-N 1 3 352.479 -0.377 20 0 FBADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082861656 838874733 /nfs/dbraw/zinc/87/47/33/838874733.db2.gz KEYPFLJATMGLIW-OWCLPIDISA-N 1 3 352.479 -0.377 20 0 FBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082863165 838874872 /nfs/dbraw/zinc/87/48/72/838874872.db2.gz PMHVAOKGCXYWMX-HUUCEWRRSA-N 1 3 350.463 -0.623 20 0 FBADHO CN1CCC[C@H](N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083275467 679521078 /nfs/dbraw/zinc/52/10/78/679521078.db2.gz FSCBEJXZVJKYPA-HRCADAONSA-N 1 3 350.463 -0.385 20 0 FBADHO CN1CCC[C@@H](N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083275468 679521171 /nfs/dbraw/zinc/52/11/71/679521171.db2.gz FSCBEJXZVJKYPA-OWCLPIDISA-N 1 3 350.463 -0.385 20 0 FBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001083470268 679597726 /nfs/dbraw/zinc/59/77/26/679597726.db2.gz IFFZCEWADPMGLS-BMFZPTHFSA-N 1 3 351.451 -0.744 20 0 FBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001083470269 679597819 /nfs/dbraw/zinc/59/78/19/679597819.db2.gz IFFZCEWADPMGLS-IMJJTQAJSA-N 1 3 351.451 -0.744 20 0 FBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001083749927 837133163 /nfs/dbraw/zinc/13/31/63/837133163.db2.gz XJOHYUUEKARWDU-BMFZPTHFSA-N 1 3 352.479 -0.594 20 0 FBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001083749928 837133392 /nfs/dbraw/zinc/13/33/92/837133392.db2.gz XJOHYUUEKARWDU-IMJJTQAJSA-N 1 3 352.479 -0.594 20 0 FBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)cn1 ZINC001083851061 837681904 /nfs/dbraw/zinc/68/19/04/837681904.db2.gz LDEXPVQEQQTWQH-BMFZPTHFSA-N 1 3 351.451 -0.744 20 0 FBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)cn1 ZINC001083851062 837682249 /nfs/dbraw/zinc/68/22/49/837682249.db2.gz LDEXPVQEQQTWQH-IMJJTQAJSA-N 1 3 351.451 -0.744 20 0 FBADHO O=C(N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959123 838987206 /nfs/dbraw/zinc/98/72/06/838987206.db2.gz HDJHRIVRUTVRQK-KFWWJZLASA-N 1 3 350.463 -0.840 20 0 FBADHO O=C(N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959124 838987021 /nfs/dbraw/zinc/98/70/21/838987021.db2.gz HDJHRIVRUTVRQK-ZNMIVQPWSA-N 1 3 350.463 -0.840 20 0 FBADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087059606 839982872 /nfs/dbraw/zinc/98/28/72/839982872.db2.gz MATCALSKKXYXJW-QLFBSQMISA-N 1 3 352.479 -0.188 20 0 FBADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087059607 839983952 /nfs/dbraw/zinc/98/39/52/839983952.db2.gz MATCALSKKXYXJW-RBSFLKMASA-N 1 3 352.479 -0.188 20 0 FBADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087059610 839983588 /nfs/dbraw/zinc/98/35/88/839983588.db2.gz MCIIVGVVZFEZDL-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087059611 839984189 /nfs/dbraw/zinc/98/41/89/839984189.db2.gz MCIIVGVVZFEZDL-VNQPRFMTSA-N 1 3 352.479 -0.188 20 0 FBADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCN1C(=O)CNC1=O ZINC001087828169 836292055 /nfs/dbraw/zinc/29/20/55/836292055.db2.gz CBFDLNXAWKDEIW-HZSPNIEDSA-N 1 3 351.451 -0.541 20 0 FBADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCN1C(=O)CNC1=O ZINC001087828169 836292050 /nfs/dbraw/zinc/29/20/50/836292050.db2.gz CBFDLNXAWKDEIW-HZSPNIEDSA-N 1 3 351.451 -0.541 20 0 FBADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCN1C(=O)CNC1=O ZINC001087828170 836291403 /nfs/dbraw/zinc/29/14/03/836291403.db2.gz CBFDLNXAWKDEIW-MELADBBJSA-N 1 3 351.451 -0.541 20 0 FBADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCN1C(=O)CNC1=O ZINC001087828170 836291393 /nfs/dbraw/zinc/29/13/93/836291393.db2.gz CBFDLNXAWKDEIW-MELADBBJSA-N 1 3 351.451 -0.541 20 0 FBADHO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088202298 836363729 /nfs/dbraw/zinc/36/37/29/836363729.db2.gz UIWQLDIOODPMKW-OAGGEKHMSA-N 1 3 352.479 -0.519 20 0 FBADHO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088202298 836363709 /nfs/dbraw/zinc/36/37/09/836363709.db2.gz UIWQLDIOODPMKW-OAGGEKHMSA-N 1 3 352.479 -0.519 20 0 FBADHO CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088202299 836364433 /nfs/dbraw/zinc/36/44/33/836364433.db2.gz UIWQLDIOODPMKW-XHSDSOJGSA-N 1 3 352.479 -0.519 20 0 FBADHO CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001088202299 836364425 /nfs/dbraw/zinc/36/44/25/836364425.db2.gz UIWQLDIOODPMKW-XHSDSOJGSA-N 1 3 352.479 -0.519 20 0 FBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCCN1C(=O)CNC1=O ZINC001089039166 836942143 /nfs/dbraw/zinc/94/21/43/836942143.db2.gz YMGPOKYCUMTIDP-MCIONIFRSA-N 1 3 351.451 -0.541 20 0 FBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCCN1C(=O)CNC1=O ZINC001089039166 836942136 /nfs/dbraw/zinc/94/21/36/836942136.db2.gz YMGPOKYCUMTIDP-MCIONIFRSA-N 1 3 351.451 -0.541 20 0 FBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCCN1C(=O)CNC1=O ZINC001089039167 836942551 /nfs/dbraw/zinc/94/25/51/836942551.db2.gz YMGPOKYCUMTIDP-RDBSUJKOSA-N 1 3 351.451 -0.541 20 0 FBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCCN1C(=O)CNC1=O ZINC001089039167 836942543 /nfs/dbraw/zinc/94/25/43/836942543.db2.gz YMGPOKYCUMTIDP-RDBSUJKOSA-N 1 3 351.451 -0.541 20 0 FBADHO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@]2(C)C1 ZINC001092276280 840022361 /nfs/dbraw/zinc/02/23/61/840022361.db2.gz JTYJENDRSKXULO-DAYGRLMNSA-N 1 3 352.479 -0.519 20 0 FBADHO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@]2(C)C1 ZINC001092276280 840022354 /nfs/dbraw/zinc/02/23/54/840022354.db2.gz JTYJENDRSKXULO-DAYGRLMNSA-N 1 3 352.479 -0.519 20 0 FBADHO CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@]2(C)C1 ZINC001092276281 840022478 /nfs/dbraw/zinc/02/24/78/840022478.db2.gz JTYJENDRSKXULO-RKVPGOIHSA-N 1 3 352.479 -0.519 20 0 FBADHO CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@]2(C)C1 ZINC001092276281 840022475 /nfs/dbraw/zinc/02/24/75/840022475.db2.gz JTYJENDRSKXULO-RKVPGOIHSA-N 1 3 352.479 -0.519 20 0 FBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615197 840044231 /nfs/dbraw/zinc/04/42/31/840044231.db2.gz BEJHYVKEQYAVTH-HZSPNIEDSA-N 1 3 350.467 -0.384 20 0 FBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092615200 840044393 /nfs/dbraw/zinc/04/43/93/840044393.db2.gz BEJHYVKEQYAVTH-MGPQQGTHSA-N 1 3 350.467 -0.384 20 0 FBADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838110 840056846 /nfs/dbraw/zinc/05/68/46/840056846.db2.gz MKRHTHDNAGBOCB-ILLDSPSKSA-N 1 3 350.463 -0.720 20 0 FBADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838110 840056840 /nfs/dbraw/zinc/05/68/40/840056840.db2.gz MKRHTHDNAGBOCB-ILLDSPSKSA-N 1 3 350.463 -0.720 20 0 FBADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838111 840057152 /nfs/dbraw/zinc/05/71/52/840057152.db2.gz MKRHTHDNAGBOCB-PGJZFTLKSA-N 1 3 350.463 -0.720 20 0 FBADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838111 840057143 /nfs/dbraw/zinc/05/71/43/840057143.db2.gz MKRHTHDNAGBOCB-PGJZFTLKSA-N 1 3 350.463 -0.720 20 0 FBADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937893 840066532 /nfs/dbraw/zinc/06/65/32/840066532.db2.gz YZCALOOTLFKRKY-BPLDGKMQSA-N 1 3 350.463 -0.183 20 0 FBADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937895 840068105 /nfs/dbraw/zinc/06/81/05/840068105.db2.gz YZCALOOTLFKRKY-YUELXQCFSA-N 1 3 350.463 -0.183 20 0 FBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040810 840076317 /nfs/dbraw/zinc/07/63/17/840076317.db2.gz VQUHJMNZDIFUTF-HZSPNIEDSA-N 1 3 350.467 -0.384 20 0 FBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040811 840076286 /nfs/dbraw/zinc/07/62/86/840076286.db2.gz VQUHJMNZDIFUTF-MGPQQGTHSA-N 1 3 350.467 -0.384 20 0 FBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195379 840080597 /nfs/dbraw/zinc/08/05/97/840080597.db2.gz PHFXVDOPGQGKKC-BZUAXINKSA-N 1 3 352.479 -0.519 20 0 FBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195379 840080591 /nfs/dbraw/zinc/08/05/91/840080591.db2.gz PHFXVDOPGQGKKC-BZUAXINKSA-N 1 3 352.479 -0.519 20 0 FBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195380 840080847 /nfs/dbraw/zinc/08/08/47/840080847.db2.gz PHFXVDOPGQGKKC-OWCLPIDISA-N 1 3 352.479 -0.519 20 0 FBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195380 840080839 /nfs/dbraw/zinc/08/08/39/840080839.db2.gz PHFXVDOPGQGKKC-OWCLPIDISA-N 1 3 352.479 -0.519 20 0 FBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093820762 840108251 /nfs/dbraw/zinc/10/82/51/840108251.db2.gz NCYROPSYEOWOCT-MCIONIFRSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093820763 840107310 /nfs/dbraw/zinc/10/73/10/840107310.db2.gz NCYROPSYEOWOCT-MGPQQGTHSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093825297 840107469 /nfs/dbraw/zinc/10/74/69/840107469.db2.gz BYRSMWFQNRCKSB-NFAWXSAZSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093825298 840107657 /nfs/dbraw/zinc/10/76/57/840107657.db2.gz BYRSMWFQNRCKSB-UMVBOHGHSA-N 1 3 350.463 -0.040 20 0 FBADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(CCN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC001101351477 842484574 /nfs/dbraw/zinc/48/45/74/842484574.db2.gz HBRZWRCHKZPFNX-DYVFJYSZSA-N 1 3 351.451 -0.730 20 0 FBADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC001101352829 836291823 /nfs/dbraw/zinc/29/18/23/836291823.db2.gz LHBPLDSVSZFBPX-KDOFPFPSSA-N 1 3 350.463 -0.133 20 0 FBADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101400363 842493651 /nfs/dbraw/zinc/49/36/51/842493651.db2.gz SSNFYKZPETXRBA-GLJUWKHASA-N 1 3 350.463 -0.086 20 0 FBADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101400363 842493645 /nfs/dbraw/zinc/49/36/45/842493645.db2.gz SSNFYKZPETXRBA-GLJUWKHASA-N 1 3 350.463 -0.086 20 0 FBADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101400364 842493551 /nfs/dbraw/zinc/49/35/51/842493551.db2.gz SSNFYKZPETXRBA-LBTNJELSSA-N 1 3 350.463 -0.086 20 0 FBADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101400364 842493547 /nfs/dbraw/zinc/49/35/47/842493547.db2.gz SSNFYKZPETXRBA-LBTNJELSSA-N 1 3 350.463 -0.086 20 0 FBADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432364 842498367 /nfs/dbraw/zinc/49/83/67/842498367.db2.gz OPDFMNKPFKWRMV-DAYGRLMNSA-N 1 3 354.495 -0.178 20 0 FBADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432365 842499042 /nfs/dbraw/zinc/49/90/42/842499042.db2.gz OPDFMNKPFKWRMV-RKVPGOIHSA-N 1 3 354.495 -0.178 20 0 FBADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443688 842498883 /nfs/dbraw/zinc/49/88/83/842498883.db2.gz OFLXFPUOYLYVPH-GLJUWKHASA-N 1 3 350.463 -0.086 20 0 FBADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443688 842498878 /nfs/dbraw/zinc/49/88/78/842498878.db2.gz OFLXFPUOYLYVPH-GLJUWKHASA-N 1 3 350.463 -0.086 20 0 FBADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443689 842498639 /nfs/dbraw/zinc/49/86/39/842498639.db2.gz OFLXFPUOYLYVPH-LBTNJELSSA-N 1 3 350.463 -0.086 20 0 FBADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101443689 842498638 /nfs/dbraw/zinc/49/86/38/842498638.db2.gz OFLXFPUOYLYVPH-LBTNJELSSA-N 1 3 350.463 -0.086 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477350 842509355 /nfs/dbraw/zinc/50/93/55/842509355.db2.gz PMFVGNXQMHSVQU-GLJUWKHASA-N 1 3 350.463 -0.088 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477350 842509351 /nfs/dbraw/zinc/50/93/51/842509351.db2.gz PMFVGNXQMHSVQU-GLJUWKHASA-N 1 3 350.463 -0.088 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477351 842510037 /nfs/dbraw/zinc/51/00/37/842510037.db2.gz PMFVGNXQMHSVQU-LBTNJELSSA-N 1 3 350.463 -0.088 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101477351 842510032 /nfs/dbraw/zinc/51/00/32/842510032.db2.gz PMFVGNXQMHSVQU-LBTNJELSSA-N 1 3 350.463 -0.088 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001101982845 842561252 /nfs/dbraw/zinc/56/12/52/842561252.db2.gz MOAMDKBODGIHNJ-KLHDSHLOSA-N 1 3 374.551 -0.098 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001101982845 842561243 /nfs/dbraw/zinc/56/12/43/842561243.db2.gz MOAMDKBODGIHNJ-KLHDSHLOSA-N 1 3 374.551 -0.098 20 0 FBADHO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045970 842579380 /nfs/dbraw/zinc/57/93/80/842579380.db2.gz FOFYSLXVZMZLRR-MCIONIFRSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045970 842579371 /nfs/dbraw/zinc/57/93/71/842579371.db2.gz FOFYSLXVZMZLRR-MCIONIFRSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045971 842579851 /nfs/dbraw/zinc/57/98/51/842579851.db2.gz FOFYSLXVZMZLRR-MGPQQGTHSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102045971 842579844 /nfs/dbraw/zinc/57/98/44/842579844.db2.gz FOFYSLXVZMZLRR-MGPQQGTHSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048547 842582028 /nfs/dbraw/zinc/58/20/28/842582028.db2.gz GFKCNZQVBWFFCR-BPLDGKMQSA-N 1 3 360.524 -0.440 20 0 FBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048548 842581588 /nfs/dbraw/zinc/58/15/88/842581588.db2.gz GFKCNZQVBWFFCR-YUELXQCFSA-N 1 3 360.524 -0.440 20 0 FBADHO C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051828 842581236 /nfs/dbraw/zinc/58/12/36/842581236.db2.gz OVWSLCZWBVDALS-NFAWXSAZSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051828 842581224 /nfs/dbraw/zinc/58/12/24/842581224.db2.gz OVWSLCZWBVDALS-NFAWXSAZSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051829 842581914 /nfs/dbraw/zinc/58/19/14/842581914.db2.gz OVWSLCZWBVDALS-UMVBOHGHSA-N 1 3 350.463 -0.040 20 0 FBADHO C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051829 842581911 /nfs/dbraw/zinc/58/19/11/842581911.db2.gz OVWSLCZWBVDALS-UMVBOHGHSA-N 1 3 350.463 -0.040 20 0 FBADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102071303 842584599 /nfs/dbraw/zinc/58/45/99/842584599.db2.gz JNPRMQMDYITYII-KFWWJZLASA-N 1 3 362.540 -0.194 20 0 FBADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C)N(C)C ZINC001102087899 842587378 /nfs/dbraw/zinc/58/73/78/842587378.db2.gz AMDOUJUVDMKQTK-MGPQQGTHSA-N 1 3 353.467 -0.438 20 0 FBADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)N(C)C ZINC001102087899 842587370 /nfs/dbraw/zinc/58/73/70/842587370.db2.gz AMDOUJUVDMKQTK-MGPQQGTHSA-N 1 3 353.467 -0.438 20 0 FBADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)N(C)C ZINC001102087967 842586696 /nfs/dbraw/zinc/58/66/96/842586696.db2.gz FMDNQFMDOULXHF-RBSFLKMASA-N 1 3 362.540 -0.098 20 0 FBADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)N(C)C ZINC001102087967 842586692 /nfs/dbraw/zinc/58/66/92/842586692.db2.gz FMDNQFMDOULXHF-RBSFLKMASA-N 1 3 362.540 -0.098 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101229 842591956 /nfs/dbraw/zinc/59/19/56/842591956.db2.gz STCSBKKJOIMGHW-FRRDWIJNSA-N 1 3 355.483 -0.016 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101229 842591951 /nfs/dbraw/zinc/59/19/51/842591951.db2.gz STCSBKKJOIMGHW-FRRDWIJNSA-N 1 3 355.483 -0.016 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101230 842590916 /nfs/dbraw/zinc/59/09/16/842590916.db2.gz STCSBKKJOIMGHW-JHJVBQTASA-N 1 3 355.483 -0.016 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102101230 842590910 /nfs/dbraw/zinc/59/09/10/842590910.db2.gz STCSBKKJOIMGHW-JHJVBQTASA-N 1 3 355.483 -0.016 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102101247 842591130 /nfs/dbraw/zinc/59/11/30/842591130.db2.gz UKNKRGUTMCGTHB-ZIAGYGMSSA-N 1 3 362.540 -0.050 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001102101247 842591125 /nfs/dbraw/zinc/59/11/25/842591125.db2.gz UKNKRGUTMCGTHB-ZIAGYGMSSA-N 1 3 362.540 -0.050 20 0 FBADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289977 842614749 /nfs/dbraw/zinc/61/47/49/842614749.db2.gz VXMBQOKBVDFAFX-MCIONIFRSA-N 1 3 350.463 -0.183 20 0 FBADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102289978 842614644 /nfs/dbraw/zinc/61/46/44/842614644.db2.gz VXMBQOKBVDFAFX-MGPQQGTHSA-N 1 3 350.463 -0.183 20 0 FBADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290511 842614918 /nfs/dbraw/zinc/61/49/18/842614918.db2.gz HUPOXBMXAHWMDX-FRRDWIJNSA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290512 842615679 /nfs/dbraw/zinc/61/56/79/842615679.db2.gz HUPOXBMXAHWMDX-JHJVBQTASA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292282 842615487 /nfs/dbraw/zinc/61/54/87/842615487.db2.gz HKHFAZMQZQNJJU-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292410 842615613 /nfs/dbraw/zinc/61/56/13/842615613.db2.gz MAIHXFOODFZXPG-HUUCEWRRSA-N 1 3 362.540 -0.096 20 0 FBADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312945 842617974 /nfs/dbraw/zinc/61/79/74/842617974.db2.gz VUNYTFXKNOXJNA-MBNYWOFBSA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312946 842618364 /nfs/dbraw/zinc/61/83/64/842618364.db2.gz VUNYTFXKNOXJNA-YRGRVCCFSA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318944 842617957 /nfs/dbraw/zinc/61/79/57/842617957.db2.gz RGZIKHRJJWGDPF-HUUCEWRRSA-N 1 3 360.524 -0.342 20 0 FBADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102330222 842619075 /nfs/dbraw/zinc/61/90/75/842619075.db2.gz JNPRMQMDYITYII-RBSFLKMASA-N 1 3 362.540 -0.194 20 0 FBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)N(C)C ZINC001102377747 842622992 /nfs/dbraw/zinc/62/29/92/842622992.db2.gz FMDNQFMDOULXHF-KFWWJZLASA-N 1 3 362.540 -0.098 20 0 FBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)N(C)C ZINC001102377747 842622982 /nfs/dbraw/zinc/62/29/82/842622982.db2.gz FMDNQFMDOULXHF-KFWWJZLASA-N 1 3 362.540 -0.098 20 0 FBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C)N(C)C ZINC001102381754 842623065 /nfs/dbraw/zinc/62/30/65/842623065.db2.gz AMDOUJUVDMKQTK-MCIONIFRSA-N 1 3 353.467 -0.438 20 0 FBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)N(C)C ZINC001102381754 842623058 /nfs/dbraw/zinc/62/30/58/842623058.db2.gz AMDOUJUVDMKQTK-MCIONIFRSA-N 1 3 353.467 -0.438 20 0 FBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102475399 842640813 /nfs/dbraw/zinc/64/08/13/842640813.db2.gz MYDLMDVCMGPFIW-HUUCEWRRSA-N 1 3 362.540 -0.096 20 0 FBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102475399 842640808 /nfs/dbraw/zinc/64/08/08/842640808.db2.gz MYDLMDVCMGPFIW-HUUCEWRRSA-N 1 3 362.540 -0.096 20 0 FBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102475680 842641011 /nfs/dbraw/zinc/64/10/11/842641011.db2.gz ZPYCAJPXVMGDFV-ZIAGYGMSSA-N 1 3 353.467 -0.436 20 0 FBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102475680 842641005 /nfs/dbraw/zinc/64/10/05/842641005.db2.gz ZPYCAJPXVMGDFV-ZIAGYGMSSA-N 1 3 353.467 -0.436 20 0 FBADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486764 842643798 /nfs/dbraw/zinc/64/37/98/842643798.db2.gz UPLZYSFKCKGBFU-QLFBSQMISA-N 1 3 354.495 -0.084 20 0 FBADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486765 842643394 /nfs/dbraw/zinc/64/33/94/842643394.db2.gz UPLZYSFKCKGBFU-RBSFLKMASA-N 1 3 354.495 -0.084 20 0 FBADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488712 842643906 /nfs/dbraw/zinc/64/39/06/842643906.db2.gz GABFSKVOCXANHQ-FMKPAKJESA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488713 842644286 /nfs/dbraw/zinc/64/42/86/842644286.db2.gz GABFSKVOCXANHQ-IIAWOOMASA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488979 842643767 /nfs/dbraw/zinc/64/37/67/842643767.db2.gz OXVNNYGKACKPCB-HUUCEWRRSA-N 1 3 354.495 -0.131 20 0 FBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102496135 842646411 /nfs/dbraw/zinc/64/64/11/842646411.db2.gz GIZIMCDOPQAKGS-HUUCEWRRSA-N 1 3 362.540 -0.096 20 0 FBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102496135 842646408 /nfs/dbraw/zinc/64/64/08/842646408.db2.gz GIZIMCDOPQAKGS-HUUCEWRRSA-N 1 3 362.540 -0.096 20 0 FBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102496355 842646378 /nfs/dbraw/zinc/64/63/78/842646378.db2.gz RCRMIUJAPZGUBK-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102496355 842646369 /nfs/dbraw/zinc/64/63/69/842646369.db2.gz RCRMIUJAPZGUBK-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511372 842651836 /nfs/dbraw/zinc/65/18/36/842651836.db2.gz UQEUUNATBPEZMS-HUUCEWRRSA-N 1 3 354.495 -0.131 20 0 FBADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511413 842651270 /nfs/dbraw/zinc/65/12/70/842651270.db2.gz WJAQINHVPPPTHF-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513586 842651559 /nfs/dbraw/zinc/65/15/59/842651559.db2.gz RWLIIXJOSLOHJC-MCIONIFRSA-N 1 3 354.451 -0.946 20 0 FBADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513587 842651620 /nfs/dbraw/zinc/65/16/20/842651620.db2.gz RWLIIXJOSLOHJC-MGPQQGTHSA-N 1 3 354.451 -0.946 20 0 FBADHO CCN1CC[C@@H](N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513611 842651253 /nfs/dbraw/zinc/65/12/53/842651253.db2.gz SYGJJTWLILWXMS-BZUAXINKSA-N 1 3 354.495 -0.131 20 0 FBADHO CCN1CC[C@H](N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513612 842652131 /nfs/dbraw/zinc/65/21/31/842652131.db2.gz SYGJJTWLILWXMS-OAGGEKHMSA-N 1 3 354.495 -0.131 20 0 FBADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514203 842653563 /nfs/dbraw/zinc/65/35/63/842653563.db2.gz QJJGYBLQVGXYNZ-FRRDWIJNSA-N 1 3 351.451 -0.650 20 0 FBADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514204 842653650 /nfs/dbraw/zinc/65/36/50/842653650.db2.gz QJJGYBLQVGXYNZ-JHJVBQTASA-N 1 3 351.451 -0.650 20 0 FBADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514332 842653667 /nfs/dbraw/zinc/65/36/67/842653667.db2.gz UKHGVVOFIQXEOI-QLFBSQMISA-N 1 3 354.495 -0.084 20 0 FBADHO C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102514333 842652913 /nfs/dbraw/zinc/65/29/13/842652913.db2.gz UKHGVVOFIQXEOI-RBSFLKMASA-N 1 3 354.495 -0.084 20 0 FBADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520383 842652797 /nfs/dbraw/zinc/65/27/97/842652797.db2.gz IISAUGLYWPGUFT-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520384 842652847 /nfs/dbraw/zinc/65/28/47/842652847.db2.gz IISAUGLYWPGUFT-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102523810 842654698 /nfs/dbraw/zinc/65/46/98/842654698.db2.gz KHPQXFFHWMUWHG-HZSPNIEDSA-N 1 3 355.483 -0.014 20 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CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102525380 842654589 /nfs/dbraw/zinc/65/45/89/842654589.db2.gz ZSRMTTVTCKHOQP-ZIAGYGMSSA-N 1 3 353.467 -0.436 20 0 FBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102525380 842654585 /nfs/dbraw/zinc/65/45/85/842654585.db2.gz ZSRMTTVTCKHOQP-ZIAGYGMSSA-N 1 3 353.467 -0.436 20 0 FBADHO C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578164 842666232 /nfs/dbraw/zinc/66/62/32/842666232.db2.gz OQDUIKYQWAIVSH-QLFBSQMISA-N 1 3 360.524 -0.486 20 0 FBADHO C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578164 842666227 /nfs/dbraw/zinc/66/62/27/842666227.db2.gz OQDUIKYQWAIVSH-QLFBSQMISA-N 1 3 360.524 -0.486 20 0 FBADHO C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578165 842665408 /nfs/dbraw/zinc/66/54/08/842665408.db2.gz OQDUIKYQWAIVSH-RBSFLKMASA-N 1 3 360.524 -0.486 20 0 FBADHO C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578165 842665403 /nfs/dbraw/zinc/66/54/03/842665403.db2.gz OQDUIKYQWAIVSH-RBSFLKMASA-N 1 3 360.524 -0.486 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102600477 842674819 /nfs/dbraw/zinc/67/48/19/842674819.db2.gz HHWKNNGLFNAXHF-HUUCEWRRSA-N 1 3 362.540 -0.098 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102600477 842674812 /nfs/dbraw/zinc/67/48/12/842674812.db2.gz HHWKNNGLFNAXHF-HUUCEWRRSA-N 1 3 362.540 -0.098 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102601055 842675415 /nfs/dbraw/zinc/67/54/15/842675415.db2.gz IBNOIBWQDCDGTE-ZIAGYGMSSA-N 1 3 353.467 -0.438 20 0 FBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001102601055 842675412 /nfs/dbraw/zinc/67/54/12/842675412.db2.gz IBNOIBWQDCDGTE-ZIAGYGMSSA-N 1 3 353.467 -0.438 20 0 FBADHO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102780506 842690732 /nfs/dbraw/zinc/69/07/32/842690732.db2.gz DFVXJEMLWXAKLB-KFWWJZLASA-N 1 3 360.524 -0.296 20 0 FBADHO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102780506 842690725 /nfs/dbraw/zinc/69/07/25/842690725.db2.gz DFVXJEMLWXAKLB-KFWWJZLASA-N 1 3 360.524 -0.296 20 0 FBADHO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102780507 842690135 /nfs/dbraw/zinc/69/01/35/842690135.db2.gz DFVXJEMLWXAKLB-RBSFLKMASA-N 1 3 360.524 -0.296 20 0 FBADHO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102780507 842690129 /nfs/dbraw/zinc/69/01/29/842690129.db2.gz DFVXJEMLWXAKLB-RBSFLKMASA-N 1 3 360.524 -0.296 20 0 FBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001103000186 842706393 /nfs/dbraw/zinc/70/63/93/842706393.db2.gz WKFWFMMSOJELFW-ZIAGYGMSSA-N 1 3 350.467 -0.382 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)CC[N@H+]1C ZINC001103005259 842706260 /nfs/dbraw/zinc/70/62/60/842706260.db2.gz ZUXYLRLKWBVEPZ-AAVRWANBSA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103005259 842706255 /nfs/dbraw/zinc/70/62/55/842706255.db2.gz ZUXYLRLKWBVEPZ-AAVRWANBSA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001103007792 842706382 /nfs/dbraw/zinc/70/63/82/842706382.db2.gz XFMFKVSCHJRLKH-KLHDSHLOSA-N 1 3 374.551 -0.050 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CCNS(C)(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103007792 842706379 /nfs/dbraw/zinc/70/63/79/842706379.db2.gz XFMFKVSCHJRLKH-KLHDSHLOSA-N 1 3 374.551 -0.050 20 0 FBADHO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083977 842713575 /nfs/dbraw/zinc/71/35/75/842713575.db2.gz RKHOEFAHLVAITD-CHWSQXEVSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083977 842713571 /nfs/dbraw/zinc/71/35/71/842713571.db2.gz RKHOEFAHLVAITD-CHWSQXEVSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089828 842713955 /nfs/dbraw/zinc/71/39/55/842713955.db2.gz CEGKFRYEBFHYEZ-CHWSQXEVSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089828 842713951 /nfs/dbraw/zinc/71/39/51/842713951.db2.gz CEGKFRYEBFHYEZ-CHWSQXEVSA-N 1 3 353.467 -0.260 20 0 FBADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103111860 842715290 /nfs/dbraw/zinc/71/52/90/842715290.db2.gz RIZAXHZHEQHILP-NFAWXSAZSA-N 1 3 355.483 -0.158 20 0 FBADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)N(C)C ZINC001103139836 842715708 /nfs/dbraw/zinc/71/57/08/842715708.db2.gz ABHYGRQPGRRAKY-RBSFLKMASA-N 1 3 362.540 -0.050 20 0 FBADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)N(C)C ZINC001103139836 842715700 /nfs/dbraw/zinc/71/57/00/842715700.db2.gz ABHYGRQPGRRAKY-RBSFLKMASA-N 1 3 362.540 -0.050 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103156598 842719358 /nfs/dbraw/zinc/71/93/58/842719358.db2.gz MTVMSYVPKJRSMT-CHWSQXEVSA-N 1 3 355.483 -0.014 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103156598 842719353 /nfs/dbraw/zinc/71/93/53/842719353.db2.gz MTVMSYVPKJRSMT-CHWSQXEVSA-N 1 3 355.483 -0.014 20 0 FBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001103249480 842725764 /nfs/dbraw/zinc/72/57/64/842725764.db2.gz LJEYCSIULXYIKX-ILLDSPSKSA-N 1 3 350.463 -0.591 20 0 FBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001103249480 842725761 /nfs/dbraw/zinc/72/57/61/842725761.db2.gz LJEYCSIULXYIKX-ILLDSPSKSA-N 1 3 350.463 -0.591 20 0 FBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001103249481 842725509 /nfs/dbraw/zinc/72/55/09/842725509.db2.gz LJEYCSIULXYIKX-PGJZFTLKSA-N 1 3 350.463 -0.591 20 0 FBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001103249481 842725500 /nfs/dbraw/zinc/72/55/00/842725500.db2.gz LJEYCSIULXYIKX-PGJZFTLKSA-N 1 3 350.463 -0.591 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374993 842731828 /nfs/dbraw/zinc/73/18/28/842731828.db2.gz UMPRAKMWUOYQRL-CHWSQXEVSA-N 1 3 353.467 -0.403 20 0 FBADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378691 842731012 /nfs/dbraw/zinc/73/10/12/842731012.db2.gz FOGWDUNSDSWSBS-ZIAGYGMSSA-N 1 3 355.483 -0.142 20 0 FBADHO C[C@@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380254 842731597 /nfs/dbraw/zinc/73/15/97/842731597.db2.gz LTFJUKVGUJNZCO-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO C[C@H](C(=O)NC(N)=O)N1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380255 842731361 /nfs/dbraw/zinc/73/13/61/842731361.db2.gz LTFJUKVGUJNZCO-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103380339 842730840 /nfs/dbraw/zinc/73/08/40/842730840.db2.gz QXVSBNWSADWZDE-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395633 842732560 /nfs/dbraw/zinc/73/25/60/842732560.db2.gz DHNYMYFKOYWMDI-TZMCWYRMSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396864 842732596 /nfs/dbraw/zinc/73/25/96/842732596.db2.gz NEGFZPSDBISHIG-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103397080 842733210 /nfs/dbraw/zinc/73/32/10/842733210.db2.gz YLBJDJMLNQYQHW-ZIAGYGMSSA-N 1 3 355.483 -0.142 20 0 FBADHO CCS(=O)(=O)NCCN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398287 842733168 /nfs/dbraw/zinc/73/31/68/842733168.db2.gz LLWSXQDYTXKPFS-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398518 842734795 /nfs/dbraw/zinc/73/47/95/842734795.db2.gz WJVWDYYYZYPMCB-HZSPNIEDSA-N 1 3 355.483 -0.144 20 0 FBADHO CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398519 842734388 /nfs/dbraw/zinc/73/43/88/842734388.db2.gz WJVWDYYYZYPMCB-MGPQQGTHSA-N 1 3 355.483 -0.144 20 0 FBADHO CC(C)[C@H](C(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103407743 842734118 /nfs/dbraw/zinc/73/41/18/842734118.db2.gz RIZAXHZHEQHILP-UMVBOHGHSA-N 1 3 355.483 -0.158 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433610 842734092 /nfs/dbraw/zinc/73/40/92/842734092.db2.gz JSEUCHKANXNHPZ-HZSPNIEDSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433610 842734085 /nfs/dbraw/zinc/73/40/85/842734085.db2.gz JSEUCHKANXNHPZ-HZSPNIEDSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103433611 842734642 /nfs/dbraw/zinc/73/46/42/842734642.db2.gz JSEUCHKANXNHPZ-MGPQQGTHSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103433611 842734633 /nfs/dbraw/zinc/73/46/33/842734633.db2.gz JSEUCHKANXNHPZ-MGPQQGTHSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436326 842735255 /nfs/dbraw/zinc/73/52/55/842735255.db2.gz TXACKTGAAANIDW-BFHYXJOUSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436326 842735248 /nfs/dbraw/zinc/73/52/48/842735248.db2.gz TXACKTGAAANIDW-BFHYXJOUSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436327 842735219 /nfs/dbraw/zinc/73/52/19/842735219.db2.gz TXACKTGAAANIDW-MGPQQGTHSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001103436327 842735215 /nfs/dbraw/zinc/73/52/15/842735215.db2.gz TXACKTGAAANIDW-MGPQQGTHSA-N 1 3 353.467 -0.403 20 0 FBADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)N(C)C ZINC001103443566 842736276 /nfs/dbraw/zinc/73/62/76/842736276.db2.gz ABHYGRQPGRRAKY-KFWWJZLASA-N 1 3 362.540 -0.050 20 0 FBADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)N(C)C ZINC001103443566 842736272 /nfs/dbraw/zinc/73/62/72/842736272.db2.gz ABHYGRQPGRRAKY-KFWWJZLASA-N 1 3 362.540 -0.050 20 0 FBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001103520277 842739688 /nfs/dbraw/zinc/73/96/88/842739688.db2.gz LTMARXLYZVEUAL-ZIAGYGMSSA-N 1 3 350.467 -0.382 20 0 FBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103550393 842742789 /nfs/dbraw/zinc/74/27/89/842742789.db2.gz NNBWAZPIWGUJRJ-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103550393 842742784 /nfs/dbraw/zinc/74/27/84/842742784.db2.gz NNBWAZPIWGUJRJ-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103550590 842743399 /nfs/dbraw/zinc/74/33/99/842743399.db2.gz YALITXMHBGLDDM-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103550590 842743391 /nfs/dbraw/zinc/74/33/91/842743391.db2.gz YALITXMHBGLDDM-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103550591 842743209 /nfs/dbraw/zinc/74/32/09/842743209.db2.gz YALITXMHBGLDDM-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103550591 842743204 /nfs/dbraw/zinc/74/32/04/842743204.db2.gz YALITXMHBGLDDM-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584540 842744838 /nfs/dbraw/zinc/74/48/38/842744838.db2.gz YVWQOJAGCMIXQA-HUUCEWRRSA-N 1 3 354.495 -0.083 20 0 FBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103612525 842745120 /nfs/dbraw/zinc/74/51/20/842745120.db2.gz GYRLDUQYHBNWIZ-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1C ZINC001103612525 842745109 /nfs/dbraw/zinc/74/51/09/842745109.db2.gz GYRLDUQYHBNWIZ-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612644 842744902 /nfs/dbraw/zinc/74/49/02/842744902.db2.gz NLTCMKJMEBMUIO-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612644 842744900 /nfs/dbraw/zinc/74/49/00/842744900.db2.gz NLTCMKJMEBMUIO-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612645 842745539 /nfs/dbraw/zinc/74/55/39/842745539.db2.gz NLTCMKJMEBMUIO-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103612645 842745534 /nfs/dbraw/zinc/74/55/34/842745534.db2.gz NLTCMKJMEBMUIO-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001103612844 842745165 /nfs/dbraw/zinc/74/51/65/842745165.db2.gz XMHIYORUGGQORP-ZIAGYGMSSA-N 1 3 355.483 -0.142 20 0 FBADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001103612844 842745159 /nfs/dbraw/zinc/74/51/59/842745159.db2.gz XMHIYORUGGQORP-ZIAGYGMSSA-N 1 3 355.483 -0.142 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001103641746 842747096 /nfs/dbraw/zinc/74/70/96/842747096.db2.gz BCTSYHBRNMETPV-HZSPNIEDSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001103641746 842747091 /nfs/dbraw/zinc/74/70/91/842747091.db2.gz BCTSYHBRNMETPV-HZSPNIEDSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103641747 842746389 /nfs/dbraw/zinc/74/63/89/842746389.db2.gz BCTSYHBRNMETPV-MGPQQGTHSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103641747 842746383 /nfs/dbraw/zinc/74/63/83/842746383.db2.gz BCTSYHBRNMETPV-MGPQQGTHSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641882 842747010 /nfs/dbraw/zinc/74/70/10/842747010.db2.gz HYWFNPNFMKCARD-HUUCEWRRSA-N 1 3 352.483 -0.033 20 0 FBADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641955 842748079 /nfs/dbraw/zinc/74/80/79/842748079.db2.gz KJRIUHNARXLXPN-HUUCEWRRSA-N 1 3 354.495 -0.083 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647043 842748163 /nfs/dbraw/zinc/74/81/63/842748163.db2.gz RLODVEIJBGCGMS-CHWSQXEVSA-N 1 3 351.451 -0.649 20 0 FBADHO C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655087 842747953 /nfs/dbraw/zinc/74/79/53/842747953.db2.gz OQQOUOLDLUGYBY-ZIAGYGMSSA-N 1 3 355.483 -0.013 20 0 FBADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103662712 842748700 /nfs/dbraw/zinc/74/87/00/842748700.db2.gz MQOFRBOJRJUDLI-ZIAGYGMSSA-N 1 3 355.483 -0.013 20 0 FBADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1C ZINC001103662712 842748689 /nfs/dbraw/zinc/74/86/89/842748689.db2.gz MQOFRBOJRJUDLI-ZIAGYGMSSA-N 1 3 355.483 -0.013 20 0 FBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103664770 842748474 /nfs/dbraw/zinc/74/84/74/842748474.db2.gz VPWUSDQXZGFZPF-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103664770 842748466 /nfs/dbraw/zinc/74/84/66/842748466.db2.gz VPWUSDQXZGFZPF-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665791 842747990 /nfs/dbraw/zinc/74/79/90/842747990.db2.gz UJQXCXLGYMDDBI-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665791 842747985 /nfs/dbraw/zinc/74/79/85/842747985.db2.gz UJQXCXLGYMDDBI-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665792 842748524 /nfs/dbraw/zinc/74/85/24/842748524.db2.gz UJQXCXLGYMDDBI-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103665792 842748515 /nfs/dbraw/zinc/74/85/15/842748515.db2.gz UJQXCXLGYMDDBI-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103718747 842751393 /nfs/dbraw/zinc/75/13/93/842751393.db2.gz DAULUFAKRAIUOH-MCIONIFRSA-N 1 3 353.467 -0.532 20 0 FBADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103718747 842751389 /nfs/dbraw/zinc/75/13/89/842751389.db2.gz DAULUFAKRAIUOH-MCIONIFRSA-N 1 3 353.467 -0.532 20 0 FBADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103718748 842753208 /nfs/dbraw/zinc/75/32/08/842753208.db2.gz DAULUFAKRAIUOH-MGPQQGTHSA-N 1 3 353.467 -0.532 20 0 FBADHO CNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103718748 842753204 /nfs/dbraw/zinc/75/32/04/842753204.db2.gz DAULUFAKRAIUOH-MGPQQGTHSA-N 1 3 353.467 -0.532 20 0 FBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001103721488 842753426 /nfs/dbraw/zinc/75/34/26/842753426.db2.gz UXWYKNUOYYBLAZ-KFWWJZLASA-N 1 3 360.524 -0.439 20 0 FBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001103721488 842753419 /nfs/dbraw/zinc/75/34/19/842753419.db2.gz UXWYKNUOYYBLAZ-KFWWJZLASA-N 1 3 360.524 -0.439 20 0 FBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001103721489 842752343 /nfs/dbraw/zinc/75/23/43/842752343.db2.gz UXWYKNUOYYBLAZ-RBSFLKMASA-N 1 3 360.524 -0.439 20 0 FBADHO C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001103721489 842752337 /nfs/dbraw/zinc/75/23/37/842752337.db2.gz UXWYKNUOYYBLAZ-RBSFLKMASA-N 1 3 360.524 -0.439 20 0 FBADHO C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103723240 842752568 /nfs/dbraw/zinc/75/25/68/842752568.db2.gz AGOZQOPRULRADY-HUUCEWRRSA-N 1 3 360.524 -0.294 20 0 FBADHO C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCNC(=O)CN1CCCC1 ZINC001103723240 842752562 /nfs/dbraw/zinc/75/25/62/842752562.db2.gz AGOZQOPRULRADY-HUUCEWRRSA-N 1 3 360.524 -0.294 20 0 FBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103755513 842757855 /nfs/dbraw/zinc/75/78/55/842757855.db2.gz KBKXYGYVMALUTH-HUUCEWRRSA-N 1 3 362.540 -0.050 20 0 FBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103755513 842757849 /nfs/dbraw/zinc/75/78/49/842757849.db2.gz KBKXYGYVMALUTH-HUUCEWRRSA-N 1 3 362.540 -0.050 20 0 FBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755882 842758615 /nfs/dbraw/zinc/75/86/15/842758615.db2.gz SFWNIQMKRSCLKY-HZSPNIEDSA-N 1 3 355.483 -0.016 20 0 FBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755882 842758609 /nfs/dbraw/zinc/75/86/09/842758609.db2.gz SFWNIQMKRSCLKY-HZSPNIEDSA-N 1 3 355.483 -0.016 20 0 FBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755983 842758273 /nfs/dbraw/zinc/75/82/73/842758273.db2.gz SFWNIQMKRSCLKY-MGPQQGTHSA-N 1 3 355.483 -0.016 20 0 FBADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001103755983 842758267 /nfs/dbraw/zinc/75/82/67/842758267.db2.gz SFWNIQMKRSCLKY-MGPQQGTHSA-N 1 3 355.483 -0.016 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001103999620 842766570 /nfs/dbraw/zinc/76/65/70/842766570.db2.gz FJGYNQHHYKNFKB-MCIONIFRSA-N 1 3 353.467 -0.390 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001103999621 842766588 /nfs/dbraw/zinc/76/65/88/842766588.db2.gz FJGYNQHHYKNFKB-MGPQQGTHSA-N 1 3 353.467 -0.390 20 0 FBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104287655 835997264 /nfs/dbraw/zinc/99/72/64/835997264.db2.gz JJASYPLTTXQOTC-CHWSQXEVSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104290861 835998822 /nfs/dbraw/zinc/99/88/22/835998822.db2.gz GQKORFKWQWKQOM-KYOSRNDESA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104290862 835998994 /nfs/dbraw/zinc/99/89/94/835998994.db2.gz GQKORFKWQWKQOM-UXIGCNINSA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104294354 835999654 /nfs/dbraw/zinc/99/96/54/835999654.db2.gz KYGXMMOUFVSMCU-CHWSQXEVSA-N 1 3 353.467 -0.260 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001104319139 836004529 /nfs/dbraw/zinc/00/45/29/836004529.db2.gz FGTURVUICDDQRJ-NFAWXSAZSA-N 1 3 355.483 -0.158 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104433493 836028834 /nfs/dbraw/zinc/02/88/34/836028834.db2.gz GQKYLVPQONLYNK-ILLDSPSKSA-N 1 3 350.463 -0.591 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104433494 836028669 /nfs/dbraw/zinc/02/86/69/836028669.db2.gz GQKYLVPQONLYNK-PGJZFTLKSA-N 1 3 350.463 -0.591 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001104641200 836052387 /nfs/dbraw/zinc/05/23/87/836052387.db2.gz FGTURVUICDDQRJ-UMVBOHGHSA-N 1 3 355.483 -0.158 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104676521 836053043 /nfs/dbraw/zinc/05/30/43/836053043.db2.gz NWYTWYYGMOMMLD-HZSPNIEDSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104676522 836053113 /nfs/dbraw/zinc/05/31/13/836053113.db2.gz NWYTWYYGMOMMLD-MGPQQGTHSA-N 1 3 353.467 -0.260 20 0 FBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001104680460 836053450 /nfs/dbraw/zinc/05/34/50/836053450.db2.gz QXMFKHDDSMENDI-BFHYXJOUSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001104680462 836053570 /nfs/dbraw/zinc/05/35/70/836053570.db2.gz QXMFKHDDSMENDI-MGPQQGTHSA-N 1 3 353.467 -0.403 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001104690562 836053239 /nfs/dbraw/zinc/05/32/39/836053239.db2.gz HVPPIHYGLLNPHK-MCIONIFRSA-N 1 3 355.483 -0.144 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001104691852 836052838 /nfs/dbraw/zinc/05/28/38/836052838.db2.gz YEARJYNRFYFXKC-KFWWJZLASA-N 1 3 362.540 -0.050 20 0 FBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCN(C)S(C)(=O)=O ZINC001104728813 836053990 /nfs/dbraw/zinc/05/39/90/836053990.db2.gz ASPOJWYMAYXEFM-ZIAGYGMSSA-N 1 3 371.507 -0.082 20 0 FBADHO CCS(=O)(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104731849 836054495 /nfs/dbraw/zinc/05/44/95/836054495.db2.gz BAVHMAHJNUCXDK-ZIAGYGMSSA-N 1 3 371.507 -0.034 20 0 FBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104731919 836054272 /nfs/dbraw/zinc/05/42/72/836054272.db2.gz FVJYRWQFKGKYMF-CHWSQXEVSA-N 1 3 357.480 -0.424 20 0 FBADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001104732292 836054959 /nfs/dbraw/zinc/05/49/59/836054959.db2.gz RUGRPTSFACACOZ-GRYCIOLGSA-N 1 3 350.423 -0.390 20 0 FBADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)NC(N)=O ZINC001104732293 836054180 /nfs/dbraw/zinc/05/41/80/836054180.db2.gz RUGRPTSFACACOZ-IJLUTSLNSA-N 1 3 350.423 -0.390 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104810029 836066651 /nfs/dbraw/zinc/06/66/51/836066651.db2.gz WOPNVOMQNZEYKS-ZIAGYGMSSA-N 1 3 355.483 -0.142 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104811625 836066779 /nfs/dbraw/zinc/06/67/79/836066779.db2.gz DXFQBZNBILNBRO-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104811626 836067004 /nfs/dbraw/zinc/06/70/04/836067004.db2.gz DXFQBZNBILNBRO-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104813136 836066717 /nfs/dbraw/zinc/06/67/17/836066717.db2.gz ZPOLQUWZROXICI-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104937804 836071748 /nfs/dbraw/zinc/07/17/48/836071748.db2.gz HZHOCSCCSOZFFK-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001104937858 836071717 /nfs/dbraw/zinc/07/17/17/836071717.db2.gz JSVMWXJFNHRCBR-ZIAGYGMSSA-N 1 3 355.483 -0.142 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001104939508 836071847 /nfs/dbraw/zinc/07/18/47/836071847.db2.gz SVGSGRKDWQFTTN-HZSPNIEDSA-N 1 3 355.483 -0.014 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001104939509 836071687 /nfs/dbraw/zinc/07/16/87/836071687.db2.gz SVGSGRKDWQFTTN-MGPQQGTHSA-N 1 3 355.483 -0.014 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064574 836079167 /nfs/dbraw/zinc/07/91/67/836079167.db2.gz XJXLWAUPMPLSTD-ZIAGYGMSSA-N 1 3 355.483 -0.144 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001105066917 836079773 /nfs/dbraw/zinc/07/97/73/836079773.db2.gz GHKBJYYXNKLIBK-HUUCEWRRSA-N 1 3 362.540 -0.050 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001105067396 836080060 /nfs/dbraw/zinc/08/00/60/836080060.db2.gz YVKCBJVNNORMMS-HZSPNIEDSA-N 1 3 355.483 -0.016 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001105067397 836079647 /nfs/dbraw/zinc/07/96/47/836079647.db2.gz YVKCBJVNNORMMS-MGPQQGTHSA-N 1 3 355.483 -0.016 20 0 FBADHO CC(C)[C@H]1N(C(=O)CCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105651890 836519355 /nfs/dbraw/zinc/51/93/55/836519355.db2.gz JSZMBOJQHUPEJV-DTDBQYNISA-N 1 3 354.495 -0.220 20 0 FBADHO CC(C)[C@H]1N(C(=O)CCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105651891 836519376 /nfs/dbraw/zinc/51/93/76/836519376.db2.gz JSZMBOJQHUPEJV-DTTOXWODSA-N 1 3 354.495 -0.220 20 0 FBADHO CC(C)[C@@H]1N(C(=O)CCC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105651892 836519119 /nfs/dbraw/zinc/51/91/19/836519119.db2.gz JSZMBOJQHUPEJV-KJWYOANISA-N 1 3 354.495 -0.220 20 0 FBADHO CC(C)[C@@H]1N(C(=O)CCC[NH+](C)C)C[C@]12C[C@@H](O)[C@H](NCC(N)=O)C2 ZINC001105651893 836519013 /nfs/dbraw/zinc/51/90/13/836519013.db2.gz JSZMBOJQHUPEJV-KNCCTNLNSA-N 1 3 354.495 -0.220 20 0 FBADHO CNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658262 836523001 /nfs/dbraw/zinc/52/30/01/836523001.db2.gz DRZYZXYBFAOYTC-DTDBQYNISA-N 1 3 354.495 -0.350 20 0 FBADHO CNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105658265 836522742 /nfs/dbraw/zinc/52/27/42/836522742.db2.gz DRZYZXYBFAOYTC-DTTOXWODSA-N 1 3 354.495 -0.350 20 0 FBADHO CNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658267 836522289 /nfs/dbraw/zinc/52/22/89/836522289.db2.gz DRZYZXYBFAOYTC-KJWYOANISA-N 1 3 354.495 -0.350 20 0 FBADHO CNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105658269 836522511 /nfs/dbraw/zinc/52/25/11/836522511.db2.gz DRZYZXYBFAOYTC-KNCCTNLNSA-N 1 3 354.495 -0.350 20 0 FBADHO CCN(CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105661381 836523761 /nfs/dbraw/zinc/52/37/61/836523761.db2.gz IHIWAZXUFZDRAE-DTDBQYNISA-N 1 3 354.495 -0.220 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105661382 836523739 /nfs/dbraw/zinc/52/37/39/836523739.db2.gz IHIWAZXUFZDRAE-DTTOXWODSA-N 1 3 354.495 -0.220 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105661383 836523485 /nfs/dbraw/zinc/52/34/85/836523485.db2.gz IHIWAZXUFZDRAE-KJWYOANISA-N 1 3 354.495 -0.220 20 0 FBADHO CCN(CC)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105661384 836523840 /nfs/dbraw/zinc/52/38/40/836523840.db2.gz IHIWAZXUFZDRAE-KNCCTNLNSA-N 1 3 354.495 -0.220 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105666924 836527847 /nfs/dbraw/zinc/52/78/47/836527847.db2.gz LEGHSUVRQVRYTO-DTDBQYNISA-N 1 3 354.495 -0.220 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105666924 836527842 /nfs/dbraw/zinc/52/78/42/836527842.db2.gz LEGHSUVRQVRYTO-DTDBQYNISA-N 1 3 354.495 -0.220 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105666925 836527367 /nfs/dbraw/zinc/52/73/67/836527367.db2.gz LEGHSUVRQVRYTO-DTTOXWODSA-N 1 3 354.495 -0.220 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@H]1C(C)C ZINC001105666925 836527361 /nfs/dbraw/zinc/52/73/61/836527361.db2.gz LEGHSUVRQVRYTO-DTTOXWODSA-N 1 3 354.495 -0.220 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105666926 836527466 /nfs/dbraw/zinc/52/74/66/836527466.db2.gz LEGHSUVRQVRYTO-KJWYOANISA-N 1 3 354.495 -0.220 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105666926 836527459 /nfs/dbraw/zinc/52/74/59/836527459.db2.gz LEGHSUVRQVRYTO-KJWYOANISA-N 1 3 354.495 -0.220 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105666927 836527779 /nfs/dbraw/zinc/52/77/79/836527779.db2.gz LEGHSUVRQVRYTO-KNCCTNLNSA-N 1 3 354.495 -0.220 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(N)=O)C2)[C@@H]1C(C)C ZINC001105666927 836527773 /nfs/dbraw/zinc/52/77/73/836527773.db2.gz LEGHSUVRQVRYTO-KNCCTNLNSA-N 1 3 354.495 -0.220 20 0 FBADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105669480 836531572 /nfs/dbraw/zinc/53/15/72/836531572.db2.gz SCKGKAJHZVNOPX-DTDBQYNISA-N 1 3 354.495 -0.220 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@H]1C(C)C ZINC001105669481 836531386 /nfs/dbraw/zinc/53/13/86/836531386.db2.gz SCKGKAJHZVNOPX-DTTOXWODSA-N 1 3 354.495 -0.220 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105669482 836531190 /nfs/dbraw/zinc/53/11/90/836531190.db2.gz SCKGKAJHZVNOPX-KJWYOANISA-N 1 3 354.495 -0.220 20 0 FBADHO CCCN(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2)[C@@H]1C(C)C ZINC001105669483 836531451 /nfs/dbraw/zinc/53/14/51/836531451.db2.gz SCKGKAJHZVNOPX-KNCCTNLNSA-N 1 3 354.495 -0.220 20 0 FBADHO CC(C)[C@H]1N(C(=O)CN(C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676825 836540248 /nfs/dbraw/zinc/54/02/48/836540248.db2.gz ZCYQXXCCXCYDLQ-DTDBQYNISA-N 1 3 354.495 -0.222 20 0 FBADHO CC(C)[C@H]1N(C(=O)CN(C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676826 836540391 /nfs/dbraw/zinc/54/03/91/836540391.db2.gz ZCYQXXCCXCYDLQ-DTTOXWODSA-N 1 3 354.495 -0.222 20 0 FBADHO CC(C)[C@@H]1N(C(=O)CN(C)C(C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676827 836540269 /nfs/dbraw/zinc/54/02/69/836540269.db2.gz ZCYQXXCCXCYDLQ-KJWYOANISA-N 1 3 354.495 -0.222 20 0 FBADHO CC(C)[C@@H]1N(C(=O)CN(C)C(C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105676828 836540366 /nfs/dbraw/zinc/54/03/66/836540366.db2.gz ZCYQXXCCXCYDLQ-KNCCTNLNSA-N 1 3 354.495 -0.222 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246998 837050619 /nfs/dbraw/zinc/05/06/19/837050619.db2.gz UAXBFULYKYHWGE-CHWSQXEVSA-N 1 3 353.467 -0.390 20 0 FBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106247352 837051214 /nfs/dbraw/zinc/05/12/14/837051214.db2.gz YACQTZSCWHAEQQ-ZIAGYGMSSA-N 1 3 360.524 -0.296 20 0 FBADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106248674 837051131 /nfs/dbraw/zinc/05/11/31/837051131.db2.gz VJDXBSYNOZXYCV-FRRDWIJNSA-N 1 3 353.467 -0.262 20 0 FBADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106248675 837052051 /nfs/dbraw/zinc/05/20/51/837052051.db2.gz VJDXBSYNOZXYCV-JHJVBQTASA-N 1 3 353.467 -0.262 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106249958 837052007 /nfs/dbraw/zinc/05/20/07/837052007.db2.gz UYNZDGGOHOWNFQ-BPLDGKMQSA-N 1 3 360.524 -0.440 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106249962 837051709 /nfs/dbraw/zinc/05/17/09/837051709.db2.gz UYNZDGGOHOWNFQ-YUELXQCFSA-N 1 3 360.524 -0.440 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250016 837052327 /nfs/dbraw/zinc/05/23/27/837052327.db2.gz VZAYQEJGCNXRHB-KYOSRNDESA-N 1 3 353.467 -0.534 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250017 837051543 /nfs/dbraw/zinc/05/15/43/837051543.db2.gz VZAYQEJGCNXRHB-UXIGCNINSA-N 1 3 353.467 -0.534 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255580 837051582 /nfs/dbraw/zinc/05/15/82/837051582.db2.gz YPRZHRRLEZJCOP-CHWSQXEVSA-N 1 3 353.467 -0.390 20 0 FBADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106255775 837051628 /nfs/dbraw/zinc/05/16/28/837051628.db2.gz IOBPGWIVMNZBRK-FRRDWIJNSA-N 1 3 353.467 -0.262 20 0 FBADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106255776 837052104 /nfs/dbraw/zinc/05/21/04/837052104.db2.gz IOBPGWIVMNZBRK-JHJVBQTASA-N 1 3 353.467 -0.262 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106256107 837051961 /nfs/dbraw/zinc/05/19/61/837051961.db2.gz YJZUMCJFJHDSAT-ZIAGYGMSSA-N 1 3 360.524 -0.296 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282079 837058775 /nfs/dbraw/zinc/05/87/75/837058775.db2.gz SNEDRBZCKPZNOZ-NFAWXSAZSA-N 1 3 355.483 -0.288 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106282123 837059864 /nfs/dbraw/zinc/05/98/64/837059864.db2.gz UZORIYDMSMJBCG-KFWWJZLASA-N 1 3 362.540 -0.194 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106309034 837062571 /nfs/dbraw/zinc/06/25/71/837062571.db2.gz MRUJUVRUYTUWTH-MGPQQGTHSA-N 1 3 355.483 -0.144 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1)N(C)C ZINC001106312610 837062836 /nfs/dbraw/zinc/06/28/36/837062836.db2.gz KPSORMMJYSKSNX-MGPQQGTHSA-N 1 3 353.467 -0.438 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106312747 837062777 /nfs/dbraw/zinc/06/27/77/837062777.db2.gz NCLCAAWABLTCDF-RBSFLKMASA-N 1 3 362.540 -0.098 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1)N(C)C ZINC001106313051 837063071 /nfs/dbraw/zinc/06/30/71/837063071.db2.gz ULZJXMBYWMAJTI-BZUAXINKSA-N 1 3 354.495 -0.131 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1)N(C)C ZINC001106313328 837063371 /nfs/dbraw/zinc/06/33/71/837063371.db2.gz WYSRZRWSMWIUHQ-RBSFLKMASA-N 1 3 362.540 -0.050 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106336365 837065883 /nfs/dbraw/zinc/06/58/83/837065883.db2.gz KILDGWHYOSDABH-FRRDWIJNSA-N 1 3 355.483 -0.016 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106336366 837066014 /nfs/dbraw/zinc/06/60/14/837066014.db2.gz KILDGWHYOSDABH-JHJVBQTASA-N 1 3 355.483 -0.016 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106336556 837066288 /nfs/dbraw/zinc/06/62/88/837066288.db2.gz UCIUWHDEXOGTIO-ZIAGYGMSSA-N 1 3 362.540 -0.050 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106340413 837065801 /nfs/dbraw/zinc/06/58/01/837065801.db2.gz WVSKJQQFCBQHPQ-CHWSQXEVSA-N 1 3 355.483 -0.144 20 0 FBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455261 837074855 /nfs/dbraw/zinc/07/48/55/837074855.db2.gz JBZNMDOMGDIWFC-ILLDSPSKSA-N 1 3 350.463 -0.720 20 0 FBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455262 837074610 /nfs/dbraw/zinc/07/46/10/837074610.db2.gz JBZNMDOMGDIWFC-PGJZFTLKSA-N 1 3 350.463 -0.720 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106633789 837089013 /nfs/dbraw/zinc/08/90/13/837089013.db2.gz UZORIYDMSMJBCG-RBSFLKMASA-N 1 3 362.540 -0.194 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106635033 837089972 /nfs/dbraw/zinc/08/99/72/837089972.db2.gz SNEDRBZCKPZNOZ-UMVBOHGHSA-N 1 3 355.483 -0.288 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665341 837092723 /nfs/dbraw/zinc/09/27/23/837092723.db2.gz TVSDYYAFILNKAR-HZSPNIEDSA-N 1 3 353.467 -0.390 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665342 837092216 /nfs/dbraw/zinc/09/22/16/837092216.db2.gz TVSDYYAFILNKAR-MGPQQGTHSA-N 1 3 353.467 -0.390 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106665487 837092136 /nfs/dbraw/zinc/09/21/36/837092136.db2.gz YVBIJFLVPJQNCA-QLFBSQMISA-N 1 3 360.524 -0.296 20 0 FBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106665488 837092051 /nfs/dbraw/zinc/09/20/51/837092051.db2.gz YVBIJFLVPJQNCA-RBSFLKMASA-N 1 3 360.524 -0.296 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666480 837092648 /nfs/dbraw/zinc/09/26/48/837092648.db2.gz MBUUOEIHJHUWST-BFHYXJOUSA-N 1 3 353.467 -0.532 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666481 837092290 /nfs/dbraw/zinc/09/22/90/837092290.db2.gz MBUUOEIHJHUWST-MGPQQGTHSA-N 1 3 353.467 -0.532 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106666916 837092006 /nfs/dbraw/zinc/09/20/06/837092006.db2.gz ZSRMSBWTJAYUQT-RBSFLKMASA-N 1 3 360.524 -0.439 20 0 FBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C2)C1 ZINC001106666917 837092332 /nfs/dbraw/zinc/09/23/32/837092332.db2.gz ZSRMSBWTJAYUQT-RRFJBIMHSA-N 1 3 360.524 -0.439 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106668854 837092585 /nfs/dbraw/zinc/09/25/85/837092585.db2.gz QRMRVXFLZLYSMY-CHWSQXEVSA-N 1 3 353.467 -0.403 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106672596 837093676 /nfs/dbraw/zinc/09/36/76/837093676.db2.gz FXZCAWOZXPXVRO-CHWSQXEVSA-N 1 3 355.483 -0.157 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1)N(C)C ZINC001106673777 837093077 /nfs/dbraw/zinc/09/30/77/837093077.db2.gz KPSORMMJYSKSNX-MCIONIFRSA-N 1 3 353.467 -0.438 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673812 837093481 /nfs/dbraw/zinc/09/34/81/837093481.db2.gz MRUJUVRUYTUWTH-MCIONIFRSA-N 1 3 355.483 -0.144 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1)N(C)C ZINC001106673826 837093816 /nfs/dbraw/zinc/09/38/16/837093816.db2.gz NCLCAAWABLTCDF-KFWWJZLASA-N 1 3 362.540 -0.098 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1)N(C)C ZINC001106674398 837093634 /nfs/dbraw/zinc/09/36/34/837093634.db2.gz ULZJXMBYWMAJTI-OAGGEKHMSA-N 1 3 354.495 -0.131 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1)N(C)C ZINC001106674475 837093764 /nfs/dbraw/zinc/09/37/64/837093764.db2.gz WYSRZRWSMWIUHQ-KFWWJZLASA-N 1 3 362.540 -0.050 20 0 FBADHO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704799 837097848 /nfs/dbraw/zinc/09/78/48/837097848.db2.gz CWNQWYYAVKXMMG-CHWSQXEVSA-N 1 3 357.480 -0.424 20 0 FBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106704836 837097707 /nfs/dbraw/zinc/09/77/07/837097707.db2.gz DQARWBOMLOVIIN-CHWSQXEVSA-N 1 3 357.480 -0.472 20 0 FBADHO COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704840 837097731 /nfs/dbraw/zinc/09/77/31/837097731.db2.gz FAVOSHYSNXMUDK-FMKPAKJESA-N 1 3 354.451 -0.340 20 0 FBADHO COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704841 837097402 /nfs/dbraw/zinc/09/74/02/837097402.db2.gz FAVOSHYSNXMUDK-IIAWOOMASA-N 1 3 354.451 -0.340 20 0 FBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCS(=O)(=O)N(C)C ZINC001106704891 837097166 /nfs/dbraw/zinc/09/71/66/837097166.db2.gz HQZBDGRORURZLH-ZIAGYGMSSA-N 1 3 371.507 -0.082 20 0 FBADHO CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704905 837097230 /nfs/dbraw/zinc/09/72/30/837097230.db2.gz ICVHMVQMROJQRT-ZIAGYGMSSA-N 1 3 351.451 -0.211 20 0 FBADHO CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704913 837097287 /nfs/dbraw/zinc/09/72/87/837097287.db2.gz IQXJPKMYBRGEKB-UKRRQHHQSA-N 1 3 351.451 -0.211 20 0 FBADHO CCS(=O)(=O)NCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704961 837097335 /nfs/dbraw/zinc/09/73/35/837097335.db2.gz KZZSWJGKTYIWAW-ZIAGYGMSSA-N 1 3 371.507 -0.034 20 0 FBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCN1CCCS1(=O)=O ZINC001106705126 837097130 /nfs/dbraw/zinc/09/71/30/837097130.db2.gz SLVJUVULDMDTAW-ZIAGYGMSSA-N 1 3 369.491 -0.328 20 0 FBADHO COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705130 837096831 /nfs/dbraw/zinc/09/68/31/837096831.db2.gz SPJJLXMTEHDAIO-ZIAGYGMSSA-N 1 3 351.451 -0.211 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705136 837097029 /nfs/dbraw/zinc/09/70/29/837097029.db2.gz TTXWBIXKXJVZOK-VXGBXAGGSA-N 1 3 350.423 -0.518 20 0 FBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705183 837096930 /nfs/dbraw/zinc/09/69/30/837096930.db2.gz VTJQIBDMBTWMAJ-GRYCIOLGSA-N 1 3 350.423 -0.520 20 0 FBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705184 837097207 /nfs/dbraw/zinc/09/72/07/837097207.db2.gz VTJQIBDMBTWMAJ-IJLUTSLNSA-N 1 3 350.423 -0.520 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106779343 837113290 /nfs/dbraw/zinc/11/32/90/837113290.db2.gz KARQRYBTIVXUJV-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779344 837113006 /nfs/dbraw/zinc/11/30/06/837113006.db2.gz KDBOKCSYAVEQPL-ZIAGYGMSSA-N 1 3 355.483 -0.142 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106783514 837114356 /nfs/dbraw/zinc/11/43/56/837114356.db2.gz RZXTZFRQHPMRRI-HUUCEWRRSA-N 1 3 362.540 -0.096 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001106784298 837114500 /nfs/dbraw/zinc/11/45/00/837114500.db2.gz GDPKYOSEWPWABJ-ZIAGYGMSSA-N 1 3 353.467 -0.436 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106784393 837114141 /nfs/dbraw/zinc/11/41/41/837114141.db2.gz IMHVGAAJHDCOQJ-HZSPNIEDSA-N 1 3 355.483 -0.144 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106784396 837114269 /nfs/dbraw/zinc/11/42/69/837114269.db2.gz IMHVGAAJHDCOQJ-MGPQQGTHSA-N 1 3 355.483 -0.144 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC001106785179 837115260 /nfs/dbraw/zinc/11/52/60/837115260.db2.gz YTCASXPZTBDVBB-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106797781 837116490 /nfs/dbraw/zinc/11/64/90/837116490.db2.gz VSQVIUBHRQAZEW-ZIAGYGMSSA-N 1 3 353.467 -0.403 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907909 837168675 /nfs/dbraw/zinc/16/86/75/837168675.db2.gz ICAWLIDUYMIOLM-HZSPNIEDSA-N 1 3 355.483 -0.144 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)[C@H](C)C1 ZINC001106907910 837168545 /nfs/dbraw/zinc/16/85/45/837168545.db2.gz ICAWLIDUYMIOLM-MGPQQGTHSA-N 1 3 355.483 -0.144 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NCC)[C@H](C)C1 ZINC001106909391 837169813 /nfs/dbraw/zinc/16/98/13/837169813.db2.gz HXYHTZJTASMOMV-ZIAGYGMSSA-N 1 3 355.483 -0.142 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001106909873 837169349 /nfs/dbraw/zinc/16/93/49/837169349.db2.gz PTPDUKWBNICNMV-HZPDHXFCSA-N 1 3 354.495 -0.129 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCNS(=O)(=O)CC)[C@H](C)C1 ZINC001106910501 837169759 /nfs/dbraw/zinc/16/97/59/837169759.db2.gz ARWZMYYHUGGRAK-HUUCEWRRSA-N 1 3 362.540 -0.048 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001106910639 837169784 /nfs/dbraw/zinc/16/97/84/837169784.db2.gz HPVCISJPMFZVQU-HUUCEWRRSA-N 1 3 362.540 -0.096 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001106910654 837170044 /nfs/dbraw/zinc/17/00/44/837170044.db2.gz IIHOWQSJCYVQDP-ZIAGYGMSSA-N 1 3 353.467 -0.436 20 0 FBADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107036668 837219218 /nfs/dbraw/zinc/21/92/18/837219218.db2.gz OWKZYXSLAVWPAJ-MCIONIFRSA-N 1 3 353.467 -0.260 20 0 FBADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107036669 837219181 /nfs/dbraw/zinc/21/91/81/837219181.db2.gz OWKZYXSLAVWPAJ-MGPQQGTHSA-N 1 3 353.467 -0.260 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039228 837218944 /nfs/dbraw/zinc/21/89/44/837218944.db2.gz NPAAQRKNBMVJBQ-ZIAGYGMSSA-N 1 3 355.483 -0.144 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCOCC2)[C@H](C)C1 ZINC001107039428 837220526 /nfs/dbraw/zinc/22/05/26/837220526.db2.gz RIGAFJJTLFPOAI-HZPDHXFCSA-N 1 3 354.495 -0.131 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)[C@H](C)C1 ZINC001107040841 837219410 /nfs/dbraw/zinc/21/94/10/837219410.db2.gz PQLXRTOUVJRTGE-HUUCEWRRSA-N 1 3 362.540 -0.098 20 0 FBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042277 837219313 /nfs/dbraw/zinc/21/93/13/837219313.db2.gz FAIXQKHFWBGGDG-HZSPNIEDSA-N 1 3 355.483 -0.145 20 0 FBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042278 837218589 /nfs/dbraw/zinc/21/85/89/837218589.db2.gz FAIXQKHFWBGGDG-MGPQQGTHSA-N 1 3 355.483 -0.145 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CNC2=O)[C@H](C)C1 ZINC001107042367 837218853 /nfs/dbraw/zinc/21/88/53/837218853.db2.gz JSYLMKSKROHPGI-ZIAGYGMSSA-N 1 3 353.467 -0.438 20 0 FBADHO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042400 837218975 /nfs/dbraw/zinc/21/89/75/837218975.db2.gz KVAAVXXHWLOSJV-HUUCEWRRSA-N 1 3 362.540 -0.050 20 0 FBADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902606 839445484 /nfs/dbraw/zinc/44/54/84/839445484.db2.gz SCDYKXCRFWJMFN-JHNDHUHGSA-N 1 3 355.479 -0.174 20 0 FBADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902607 839446559 /nfs/dbraw/zinc/44/65/59/839446559.db2.gz SCDYKXCRFWJMFN-OHFALNGGSA-N 1 3 355.479 -0.174 20 0 FBADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198291 842055176 /nfs/dbraw/zinc/05/51/76/842055176.db2.gz SCDYKXCRFWJMFN-SRABZTEZSA-N 1 3 355.479 -0.174 20 0 FBADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198292 842055913 /nfs/dbraw/zinc/05/59/13/842055913.db2.gz SCDYKXCRFWJMFN-WTTBNOFXSA-N 1 3 355.479 -0.174 20 0 FBADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCN1C(=O)CNC1=O)C2 ZINC001111864596 842807680 /nfs/dbraw/zinc/80/76/80/842807680.db2.gz XUMGRZXWIDGOHG-GUYCJALGSA-N 1 3 351.451 -0.539 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC001111939888 836043795 /nfs/dbraw/zinc/04/37/95/836043795.db2.gz YGSPVWKORMGHOF-RDJZCZTQSA-N 1 3 350.467 -0.173 20 0 FBADHO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984640 842821746 /nfs/dbraw/zinc/82/17/46/842821746.db2.gz HIIKUTYSECZFHN-DCGLDWPTSA-N 1 3 351.451 -0.364 20 0 FBADHO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984640 842821744 /nfs/dbraw/zinc/82/17/44/842821744.db2.gz HIIKUTYSECZFHN-DCGLDWPTSA-N 1 3 351.451 -0.364 20 0 FBADHO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984641 842821381 /nfs/dbraw/zinc/82/13/81/842821381.db2.gz HIIKUTYSECZFHN-IGCXYCKISA-N 1 3 351.451 -0.364 20 0 FBADHO C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984641 842821373 /nfs/dbraw/zinc/82/13/73/842821373.db2.gz HIIKUTYSECZFHN-IGCXYCKISA-N 1 3 351.451 -0.364 20 0 FBADHO C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCN2CCNC2=O)C1 ZINC001112160232 842852084 /nfs/dbraw/zinc/85/20/84/842852084.db2.gz YXCRWPUTOCQWRO-VXGBXAGGSA-N 1 3 365.400 -0.058 20 0 FBADHO C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112194041 842858945 /nfs/dbraw/zinc/85/89/45/842858945.db2.gz JCIRVKNWBPUSMW-CHWSQXEVSA-N 1 3 371.400 -0.448 20 0 FBADHO COC[C@H](O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194245 842859794 /nfs/dbraw/zinc/85/97/94/842859794.db2.gz UWLULPCPICKSCR-JHJVBQTASA-N 1 3 371.400 -0.449 20 0 FBADHO COC[C@@H](O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194246 842859827 /nfs/dbraw/zinc/85/98/27/842859827.db2.gz UWLULPCPICKSCR-YNEHKIRRSA-N 1 3 371.400 -0.449 20 0 FBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112206313 842862299 /nfs/dbraw/zinc/86/22/99/842862299.db2.gz NAMGAXCTBCYNBF-JHJVBQTASA-N 1 3 353.385 -0.074 20 0 FBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112206313 842862287 /nfs/dbraw/zinc/86/22/87/842862287.db2.gz NAMGAXCTBCYNBF-JHJVBQTASA-N 1 3 353.385 -0.074 20 0 FBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112206316 842863266 /nfs/dbraw/zinc/86/32/66/842863266.db2.gz NAMGAXCTBCYNBF-YNEHKIRRSA-N 1 3 353.385 -0.074 20 0 FBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C2)C1 ZINC001112206316 842863260 /nfs/dbraw/zinc/86/32/60/842863260.db2.gz NAMGAXCTBCYNBF-YNEHKIRRSA-N 1 3 353.385 -0.074 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001112425557 842874506 /nfs/dbraw/zinc/87/45/06/842874506.db2.gz RATJXBFSBFNMHU-AHIWAGSCSA-N 1 3 353.467 -0.260 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001112531317 836091453 /nfs/dbraw/zinc/09/14/53/836091453.db2.gz RATJXBFSBFNMHU-DCGLDWPTSA-N 1 3 353.467 -0.260 20 0 FBADHO CS(=O)(=O)NCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536219 836242672 /nfs/dbraw/zinc/24/26/72/836242672.db2.gz XMHBETXWZRSGQF-BBRMVZONSA-N 1 3 369.491 -0.280 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112548556 839464388 /nfs/dbraw/zinc/46/43/88/839464388.db2.gz GDKPVCCQSZKAOI-GUYCJALGSA-N 1 3 353.467 -0.259 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112567620 839466825 /nfs/dbraw/zinc/46/68/25/839466825.db2.gz ZJSKUJSMRTVYCU-GUYCJALGSA-N 1 3 353.467 -0.259 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112585627 839469957 /nfs/dbraw/zinc/46/99/57/839469957.db2.gz JFJOIYGVOXCZCF-GUYCJALGSA-N 1 3 353.467 -0.260 20 0 FBADHO CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298088 839498440 /nfs/dbraw/zinc/49/84/40/839498440.db2.gz CKWKARROHSMBKB-MNLARUNXSA-N 1 3 352.479 -0.474 20 0 FBADHO CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298088 839498433 /nfs/dbraw/zinc/49/84/33/839498433.db2.gz CKWKARROHSMBKB-MNLARUNXSA-N 1 3 352.479 -0.474 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001116954413 843002860 /nfs/dbraw/zinc/00/28/60/843002860.db2.gz VPKMNBDSSWMNGD-INIZCTEOSA-N 1 3 353.511 -0.460 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001116954414 843003486 /nfs/dbraw/zinc/00/34/86/843003486.db2.gz VPKMNBDSSWMNGD-MRXNPFEDSA-N 1 3 353.511 -0.460 20 0 FBADHO CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC001116991285 843009660 /nfs/dbraw/zinc/00/96/60/843009660.db2.gz XTYNQTGBTUVCGK-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001117169415 843051004 /nfs/dbraw/zinc/05/10/04/843051004.db2.gz FEMDYWOWLSZVAQ-UHFFFAOYSA-N 1 3 353.511 -0.319 20 0 FBADHO CC(C)N1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC001117222877 843055808 /nfs/dbraw/zinc/05/58/08/843055808.db2.gz NODFDUAGWQOICE-AWEZNQCLSA-N 1 3 355.483 -0.936 20 0 FBADHO CC(C)N1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC001117222878 843055789 /nfs/dbraw/zinc/05/57/89/843055789.db2.gz NODFDUAGWQOICE-CQSZACIVSA-N 1 3 355.483 -0.936 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC001117360973 843083910 /nfs/dbraw/zinc/08/39/10/843083910.db2.gz WIULORBXERAQHV-CVEARBPZSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001117360973 843083898 /nfs/dbraw/zinc/08/38/98/843083898.db2.gz WIULORBXERAQHV-CVEARBPZSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC001117360974 843083579 /nfs/dbraw/zinc/08/35/79/843083579.db2.gz WIULORBXERAQHV-HOTGVXAUSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001117360974 843083574 /nfs/dbraw/zinc/08/35/74/843083574.db2.gz WIULORBXERAQHV-HOTGVXAUSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC001117360975 843083992 /nfs/dbraw/zinc/08/39/92/843083992.db2.gz WIULORBXERAQHV-HZPDHXFCSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001117360975 843083981 /nfs/dbraw/zinc/08/39/81/843083981.db2.gz WIULORBXERAQHV-HZPDHXFCSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC001117360976 843084720 /nfs/dbraw/zinc/08/47/20/843084720.db2.gz WIULORBXERAQHV-JKSUJKDBSA-N 1 3 353.511 -0.271 20 0 FBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001117360976 843084709 /nfs/dbraw/zinc/08/47/09/843084709.db2.gz WIULORBXERAQHV-JKSUJKDBSA-N 1 3 353.511 -0.271 20 0 FBADHO Cc1nccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001117455076 843104228 /nfs/dbraw/zinc/10/42/28/843104228.db2.gz DNVVPSCJSRBPJZ-HNNXBMFYSA-N 1 3 350.467 -0.550 20 0 FBADHO Cc1nccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001117455076 843104224 /nfs/dbraw/zinc/10/42/24/843104224.db2.gz DNVVPSCJSRBPJZ-HNNXBMFYSA-N 1 3 350.467 -0.550 20 0 FBADHO Cc1nccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001117455077 843104124 /nfs/dbraw/zinc/10/41/24/843104124.db2.gz DNVVPSCJSRBPJZ-OAHLLOKOSA-N 1 3 350.467 -0.550 20 0 FBADHO Cc1nccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001117455077 843104117 /nfs/dbraw/zinc/10/41/17/843104117.db2.gz DNVVPSCJSRBPJZ-OAHLLOKOSA-N 1 3 350.467 -0.550 20 0 FBADHO CSC1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCOCC1 ZINC001117500156 843111663 /nfs/dbraw/zinc/11/16/63/843111663.db2.gz YDQQMBAMCYRPLJ-UHFFFAOYSA-N 1 3 374.551 -0.033 20 0 FBADHO CC[C@@]1(CO)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001117859202 843169053 /nfs/dbraw/zinc/16/90/53/843169053.db2.gz XKPUZDOESZBEQS-GOSISDBHSA-N 1 3 356.511 -0.051 20 0 FBADHO CC[C@]1(CO)CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001117859203 843168844 /nfs/dbraw/zinc/16/88/44/843168844.db2.gz XKPUZDOESZBEQS-SFHVURJKSA-N 1 3 356.511 -0.051 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001117981019 843182545 /nfs/dbraw/zinc/18/25/45/843182545.db2.gz PIGMSFKJWOZWRZ-AWEZNQCLSA-N 1 3 355.483 -0.887 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001117981020 843182923 /nfs/dbraw/zinc/18/29/23/843182923.db2.gz PIGMSFKJWOZWRZ-CQSZACIVSA-N 1 3 355.483 -0.887 20 0 FBADHO CN(CCCNC(=O)CN1CCCC2(CC[NH2+]CC2)C1)S(C)(=O)=O ZINC001118263702 843229404 /nfs/dbraw/zinc/22/94/04/843229404.db2.gz KZIDCPPEQSFEIB-UHFFFAOYSA-N 1 3 360.524 -0.150 20 0 FBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001118490099 843277554 /nfs/dbraw/zinc/27/75/54/843277554.db2.gz CQJJNGYLFMIHMT-LLVKDONJSA-N 1 3 350.423 -0.943 20 0 FBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001118490099 843277544 /nfs/dbraw/zinc/27/75/44/843277544.db2.gz CQJJNGYLFMIHMT-LLVKDONJSA-N 1 3 350.423 -0.943 20 0 FBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001118490100 843277863 /nfs/dbraw/zinc/27/78/63/843277863.db2.gz CQJJNGYLFMIHMT-NSHDSACASA-N 1 3 350.423 -0.943 20 0 FBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001118490100 843277851 /nfs/dbraw/zinc/27/78/51/843277851.db2.gz CQJJNGYLFMIHMT-NSHDSACASA-N 1 3 350.423 -0.943 20 0 FBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001118506536 843281325 /nfs/dbraw/zinc/28/13/25/843281325.db2.gz PTUIDNZEUKRNAB-UHFFFAOYSA-N 1 3 351.455 -0.705 20 0 FBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001118554567 843294905 /nfs/dbraw/zinc/29/49/05/843294905.db2.gz XGPOCYJMWBFXKS-UHFFFAOYSA-N 1 3 350.423 -0.754 20 0 FBADHO CN1C(=O)CN(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC001118869900 843359381 /nfs/dbraw/zinc/35/93/81/843359381.db2.gz WCNNROFXKUHULK-UHFFFAOYSA-N 1 3 351.451 -0.445 20 0 FBADHO CN(C)C[C@@H]1CN(C(=S)NCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001118922506 838824095 /nfs/dbraw/zinc/82/40/95/838824095.db2.gz BSQNRJVPMLUMIH-CHWSQXEVSA-N 1 3 350.554 -0.423 20 0 FBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118927877 843373841 /nfs/dbraw/zinc/37/38/41/843373841.db2.gz HWFRJDJQWJDHQN-HNNXBMFYSA-N 1 3 356.467 -0.950 20 0 FBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118927879 843374331 /nfs/dbraw/zinc/37/43/31/843374331.db2.gz HWFRJDJQWJDHQN-OAHLLOKOSA-N 1 3 356.467 -0.950 20 0 FBADHO CN1CC[NH+](C2CCN(C(=O)NC[C@H]3CN(C)CCN3C)CC2)CC1 ZINC001118970079 843386371 /nfs/dbraw/zinc/38/63/71/843386371.db2.gz HLCKYLKPFDJYTJ-KRWDZBQOSA-N 1 3 352.527 -0.346 20 0 FBADHO CN1CC[NH+](C2CCN(C(=O)NC[C@@H]3CN(C)CCN3C)CC2)CC1 ZINC001118970083 843385742 /nfs/dbraw/zinc/38/57/42/843385742.db2.gz HLCKYLKPFDJYTJ-QGZVFWFLSA-N 1 3 352.527 -0.346 20 0 FBADHO CN(CCS(N)(=O)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001119082685 843405473 /nfs/dbraw/zinc/40/54/73/843405473.db2.gz SDARQXIPWUGXPT-UHFFFAOYSA-N 1 3 361.512 -0.525 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001119206996 843425542 /nfs/dbraw/zinc/42/55/42/843425542.db2.gz OTTWPDRBGVVBSC-GVRJEKJASA-N 1 3 352.479 -0.522 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001119207000 843425914 /nfs/dbraw/zinc/42/59/14/843425914.db2.gz OTTWPDRBGVVBSC-RFBLXINOSA-N 1 3 352.479 -0.522 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001119207003 843425687 /nfs/dbraw/zinc/42/56/87/843425687.db2.gz OTTWPDRBGVVBSC-ZVDSWSACSA-N 1 3 352.479 -0.522 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C3([S@@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296034 843436786 /nfs/dbraw/zinc/43/67/86/843436786.db2.gz KGVBBCVFTQOAHE-IZHWHUGBSA-N 1 3 356.536 -0.275 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296036 843436852 /nfs/dbraw/zinc/43/68/52/843436852.db2.gz KGVBBCVFTQOAHE-MYYSRTQBSA-N 1 3 356.536 -0.275 20 0 FBADHO CN1CCC[C@H](N2CCN(C(=O)C3([S@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296039 843436983 /nfs/dbraw/zinc/43/69/83/843436983.db2.gz KGVBBCVFTQOAHE-OWJWWREXSA-N 1 3 356.536 -0.275 20 0 FBADHO CN1CCC[C@@H](N2CCN(C(=O)C3([S@@](C)=O)CC[NH2+]CC3)CC2)C1 ZINC001119296041 843436955 /nfs/dbraw/zinc/43/69/55/843436955.db2.gz KGVBBCVFTQOAHE-OYLFLEFRSA-N 1 3 356.536 -0.275 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119360792 843441380 /nfs/dbraw/zinc/44/13/80/843441380.db2.gz RDWRIMWSUZEWGX-CVEARBPZSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119360793 843441543 /nfs/dbraw/zinc/44/15/43/843441543.db2.gz RDWRIMWSUZEWGX-HOTGVXAUSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001119360794 843441275 /nfs/dbraw/zinc/44/12/75/843441275.db2.gz RDWRIMWSUZEWGX-HZPDHXFCSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001119360795 843441335 /nfs/dbraw/zinc/44/13/35/843441335.db2.gz RDWRIMWSUZEWGX-JKSUJKDBSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)NCCCCCC[NH3+])CC2)CC1 ZINC001119365040 843441299 /nfs/dbraw/zinc/44/12/99/843441299.db2.gz IZIOOGZYOMLNOX-UHFFFAOYSA-N 1 3 353.511 -0.140 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001119407867 843444597 /nfs/dbraw/zinc/44/45/97/843444597.db2.gz QTVDEOQWGKWESA-RBVVOMGSSA-N 1 3 352.479 -0.140 20 0 FBADHO COCC[NH+]1CCC(NC(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC001119407883 843444663 /nfs/dbraw/zinc/44/46/63/843444663.db2.gz RBPBKTDLOXARFN-UHFFFAOYSA-N 1 3 352.479 -0.042 20 0 FBADHO C[NH2+]CCN(C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1)C(C)C ZINC001119545455 843455740 /nfs/dbraw/zinc/45/57/40/843455740.db2.gz YEXFXSRWYRHIIR-UHFFFAOYSA-N 1 3 353.511 -0.319 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC4(CO[C@H](C[NH3+])C4)CC3)C[C@@H]21 ZINC001119635865 843465837 /nfs/dbraw/zinc/46/58/37/843465837.db2.gz DTQKNAOLBOBMQG-ILXRZTDVSA-N 1 3 350.463 -0.495 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC4(CO[C@@H](C[NH3+])C4)CC3)C[C@@H]21 ZINC001119635866 843465691 /nfs/dbraw/zinc/46/56/91/843465691.db2.gz DTQKNAOLBOBMQG-KFWWJZLASA-N 1 3 350.463 -0.495 20 0 FBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCOCC3)C1 ZINC001120378672 843537411 /nfs/dbraw/zinc/53/74/11/843537411.db2.gz TXPTWVIPFGFJBE-HNNXBMFYSA-N 1 3 352.479 -0.232 20 0 FBADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCOCC3)C1 ZINC001120378673 843537151 /nfs/dbraw/zinc/53/71/51/843537151.db2.gz TXPTWVIPFGFJBE-OAHLLOKOSA-N 1 3 352.479 -0.232 20 0 FBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001120439326 843549319 /nfs/dbraw/zinc/54/93/19/843549319.db2.gz UNTXJRPYWIYSFY-CABCVRRESA-N 1 3 351.495 -0.804 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001120520275 843564041 /nfs/dbraw/zinc/56/40/41/843564041.db2.gz KQRKISIDFFDNIC-CVEARBPZSA-N 1 3 353.511 -0.427 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001120520276 843564173 /nfs/dbraw/zinc/56/41/73/843564173.db2.gz KQRKISIDFFDNIC-HOTGVXAUSA-N 1 3 353.511 -0.427 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001120520277 843563784 /nfs/dbraw/zinc/56/37/84/843563784.db2.gz KQRKISIDFFDNIC-HZPDHXFCSA-N 1 3 353.511 -0.427 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001120520278 843564529 /nfs/dbraw/zinc/56/45/29/843564529.db2.gz KQRKISIDFFDNIC-JKSUJKDBSA-N 1 3 353.511 -0.427 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001120530704 843565648 /nfs/dbraw/zinc/56/56/48/843565648.db2.gz JXOJLFKKQSLXDC-CRAIPNDOSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001120530705 843565029 /nfs/dbraw/zinc/56/50/29/843565029.db2.gz JXOJLFKKQSLXDC-MAUKXSAKSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001120530706 843565009 /nfs/dbraw/zinc/56/50/09/843565009.db2.gz JXOJLFKKQSLXDC-QAPCUYQASA-N 1 3 350.463 -0.290 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001120530707 843565367 /nfs/dbraw/zinc/56/53/67/843565367.db2.gz JXOJLFKKQSLXDC-YJBOKZPZSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120530787 843565632 /nfs/dbraw/zinc/56/56/32/843565632.db2.gz LMQFLSMDSPAFGG-LZWOXQAQSA-N 1 3 350.463 -0.576 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120530788 843565578 /nfs/dbraw/zinc/56/55/78/843565578.db2.gz LMQFLSMDSPAFGG-SQWLQELKSA-N 1 3 350.463 -0.576 20 0 FBADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602404 843571085 /nfs/dbraw/zinc/57/10/85/843571085.db2.gz FIZNVOSCVZWAPD-KBPBESRZSA-N 1 3 354.451 -0.308 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602405 843571029 /nfs/dbraw/zinc/57/10/29/843571029.db2.gz FIZNVOSCVZWAPD-KGLIPLIRSA-N 1 3 354.451 -0.308 20 0 FBADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602406 843571163 /nfs/dbraw/zinc/57/11/63/843571163.db2.gz FIZNVOSCVZWAPD-UONOGXRCSA-N 1 3 354.451 -0.308 20 0 FBADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001120602407 843570968 /nfs/dbraw/zinc/57/09/68/843570968.db2.gz FIZNVOSCVZWAPD-ZIAGYGMSSA-N 1 3 354.451 -0.308 20 0 FBADHO O=C(COCC(=O)N[C@H]1C[NH+]2CCC1CC2)N[C@H]1CN2CCC1CC2 ZINC001120687616 843574129 /nfs/dbraw/zinc/57/41/29/843574129.db2.gz REFMPZUGKVUMLF-HOTGVXAUSA-N 1 3 350.463 -0.576 20 0 FBADHO O=C(COCC(=O)N[C@@H]1C[NH+]2CCC1CC2)N[C@@H]1CN2CCC1CC2 ZINC001120687617 843574016 /nfs/dbraw/zinc/57/40/16/843574016.db2.gz REFMPZUGKVUMLF-HZPDHXFCSA-N 1 3 350.463 -0.576 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121826760 843592262 /nfs/dbraw/zinc/59/22/62/843592262.db2.gz NKLBMEDKWGZNDV-CABCVRRESA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121826762 843594158 /nfs/dbraw/zinc/59/41/58/843594158.db2.gz NKLBMEDKWGZNDV-GJZGRUSLSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121826763 843593911 /nfs/dbraw/zinc/59/39/11/843593911.db2.gz NKLBMEDKWGZNDV-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121826764 843593520 /nfs/dbraw/zinc/59/35/20/843593520.db2.gz NKLBMEDKWGZNDV-LSDHHAIUSA-N 1 3 352.479 -0.186 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001121912502 843595955 /nfs/dbraw/zinc/59/59/55/843595955.db2.gz VDKWFMUTFOWXDA-INIZCTEOSA-N 1 3 350.463 -0.478 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001121912503 843595972 /nfs/dbraw/zinc/59/59/72/843595972.db2.gz VDKWFMUTFOWXDA-MRXNPFEDSA-N 1 3 350.463 -0.478 20 0 FBADHO [NH3+]CCN1CCC[C@H](C(=O)N2CCN(CC3CCOCC3)CC2)C1=O ZINC001121923415 843597291 /nfs/dbraw/zinc/59/72/91/843597291.db2.gz KKXZITGAEIRMAA-INIZCTEOSA-N 1 3 352.479 -0.246 20 0 FBADHO [NH3+]CCN1CCC[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)C1=O ZINC001121923417 843596636 /nfs/dbraw/zinc/59/66/36/843596636.db2.gz KKXZITGAEIRMAA-MRXNPFEDSA-N 1 3 352.479 -0.246 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927299 843597037 /nfs/dbraw/zinc/59/70/37/843597037.db2.gz DNJXSQRHQYJTFD-CABCVRRESA-N 1 3 351.495 -0.804 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927300 843597346 /nfs/dbraw/zinc/59/73/46/843597346.db2.gz DNJXSQRHQYJTFD-GJZGRUSLSA-N 1 3 351.495 -0.804 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927301 843597317 /nfs/dbraw/zinc/59/73/17/843597317.db2.gz DNJXSQRHQYJTFD-HUUCEWRRSA-N 1 3 351.495 -0.804 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121927302 843596768 /nfs/dbraw/zinc/59/67/68/843596768.db2.gz DNJXSQRHQYJTFD-LSDHHAIUSA-N 1 3 351.495 -0.804 20 0 FBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001121997383 843600453 /nfs/dbraw/zinc/60/04/53/843600453.db2.gz UTQHMSAFWALIMP-QAPCUYQASA-N 1 3 350.463 -0.621 20 0 FBADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122069906 843603307 /nfs/dbraw/zinc/60/33/07/843603307.db2.gz PTFFQNXJQURIJY-LXZKKBNFSA-N 1 3 365.455 -0.080 20 0 FBADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122069907 843603207 /nfs/dbraw/zinc/60/32/07/843603207.db2.gz PTFFQNXJQURIJY-QRTARXTBSA-N 1 3 365.455 -0.080 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1=O ZINC001122202987 843607757 /nfs/dbraw/zinc/60/77/57/843607757.db2.gz PTUGPDJNYNEISI-CABCVRRESA-N 1 3 352.479 -0.247 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1=O ZINC001122202988 843607320 /nfs/dbraw/zinc/60/73/20/843607320.db2.gz PTUGPDJNYNEISI-GJZGRUSLSA-N 1 3 352.479 -0.247 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1=O ZINC001122202989 843607307 /nfs/dbraw/zinc/60/73/07/843607307.db2.gz PTUGPDJNYNEISI-HUUCEWRRSA-N 1 3 352.479 -0.247 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1=O ZINC001122202990 843607474 /nfs/dbraw/zinc/60/74/74/843607474.db2.gz PTUGPDJNYNEISI-LSDHHAIUSA-N 1 3 352.479 -0.247 20 0 FBADHO CN1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C ZINC001122366950 843615174 /nfs/dbraw/zinc/61/51/74/843615174.db2.gz ZQTHYNIDGMQNSO-HOTGVXAUSA-N 1 3 353.511 -0.223 20 0 FBADHO CN1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCCN1C ZINC001122366951 843614878 /nfs/dbraw/zinc/61/48/78/843614878.db2.gz ZQTHYNIDGMQNSO-HZPDHXFCSA-N 1 3 353.511 -0.223 20 0 FBADHO C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)N1CCN(C)CC1 ZINC001123576316 843631677 /nfs/dbraw/zinc/63/16/77/843631677.db2.gz PRGBPCWFYDKOBO-INIZCTEOSA-N 1 3 354.543 -0.053 20 0 FBADHO C[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)N1CCN(C)CC1 ZINC001123576318 843631705 /nfs/dbraw/zinc/63/17/05/843631705.db2.gz PRGBPCWFYDKOBO-MRXNPFEDSA-N 1 3 354.543 -0.053 20 0 FBADHO CN1CC[C@@H](NCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570936 837163418 /nfs/dbraw/zinc/16/34/18/837163418.db2.gz GPVJOHBNXFRYFB-OAGGEKHMSA-N 1 3 352.479 -0.330 20 0 FBADHO CN1CC[C@H](NCCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1=O ZINC001127570937 837163537 /nfs/dbraw/zinc/16/35/37/837163537.db2.gz GPVJOHBNXFRYFB-PMPSAXMXSA-N 1 3 352.479 -0.330 20 0 FBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570976 837163579 /nfs/dbraw/zinc/16/35/79/837163579.db2.gz ITZOPUHIEMLMDB-WBVHZDCISA-N 1 3 354.495 -0.036 20 0 FBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001127570988 837163730 /nfs/dbraw/zinc/16/37/30/837163730.db2.gz JJBWTUZYSNGAMB-OAGGEKHMSA-N 1 3 352.479 -0.282 20 0 FBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001127570989 837163566 /nfs/dbraw/zinc/16/35/66/837163566.db2.gz JJBWTUZYSNGAMB-PMPSAXMXSA-N 1 3 352.479 -0.282 20 0 FBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001127571146 837163678 /nfs/dbraw/zinc/16/36/78/837163678.db2.gz MGINBAPBBVNPGQ-WBVHZDCISA-N 1 3 352.479 -0.329 20 0 FBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571361 837162380 /nfs/dbraw/zinc/16/23/80/837162380.db2.gz QGBIPCRGOADAFJ-WBVHZDCISA-N 1 3 354.495 -0.083 20 0 FBADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001127571484 837164941 /nfs/dbraw/zinc/16/49/41/837164941.db2.gz SSCWZQZELDPKNK-WBVHZDCISA-N 1 3 352.479 -0.282 20 0 FBADHO C[C@@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001127571497 837164961 /nfs/dbraw/zinc/16/49/61/837164961.db2.gz SWPKOQNVEVRAKR-BMFZPTHFSA-N 1 3 354.495 -0.084 20 0 FBADHO C[C@H](NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001127571498 837165215 /nfs/dbraw/zinc/16/52/15/837165215.db2.gz SWPKOQNVEVRAKR-IMJJTQAJSA-N 1 3 354.495 -0.084 20 0 FBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571656 837163831 /nfs/dbraw/zinc/16/38/31/837163831.db2.gz WEOTXAXODVLHRU-WBVHZDCISA-N 1 3 354.495 -0.035 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCOC[C@H]2C2CC2)CC[N@H+]1C ZINC001127639177 837186859 /nfs/dbraw/zinc/18/68/59/837186859.db2.gz VKTICIYYNSOALV-BMFZPTHFSA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCOC[C@H]2C2CC2)CC[N@@H+]1C ZINC001127639177 837186854 /nfs/dbraw/zinc/18/68/54/837186854.db2.gz VKTICIYYNSOALV-BMFZPTHFSA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCOC[C@@H]2C2CC2)CC[N@H+]1C ZINC001127639181 837187096 /nfs/dbraw/zinc/18/70/96/837187096.db2.gz VKTICIYYNSOALV-FVQBIDKESA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCOC[C@@H]2C2CC2)CC[N@@H+]1C ZINC001127639181 837187088 /nfs/dbraw/zinc/18/70/88/837187088.db2.gz VKTICIYYNSOALV-FVQBIDKESA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2cnn(C)c2)CC[N@H+]1C ZINC001127643639 837187146 /nfs/dbraw/zinc/18/71/46/837187146.db2.gz FABWWCXMSNGYPA-UKRRQHHQSA-N 1 3 350.467 -0.576 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)Cc2cnn(C)c2)CC[N@@H+]1C ZINC001127643639 837187140 /nfs/dbraw/zinc/18/71/40/837187140.db2.gz FABWWCXMSNGYPA-UKRRQHHQSA-N 1 3 350.467 -0.576 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001127644283 837186536 /nfs/dbraw/zinc/18/65/36/837186536.db2.gz YDOWNCMZDUGSAC-NXEZZACHSA-N 1 3 367.372 -0.580 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001127644283 837186529 /nfs/dbraw/zinc/18/65/29/837186529.db2.gz YDOWNCMZDUGSAC-NXEZZACHSA-N 1 3 367.372 -0.580 20 0 FBADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127653093 837187937 /nfs/dbraw/zinc/18/79/37/837187937.db2.gz LLGVXWSAXXWZPI-BFHYXJOUSA-N 1 3 355.483 -0.097 20 0 FBADHO CC(C)CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127653093 837187929 /nfs/dbraw/zinc/18/79/29/837187929.db2.gz LLGVXWSAXXWZPI-BFHYXJOUSA-N 1 3 355.483 -0.097 20 0 FBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127653094 837188301 /nfs/dbraw/zinc/18/83/01/837188301.db2.gz LLGVXWSAXXWZPI-MGPQQGTHSA-N 1 3 355.483 -0.097 20 0 FBADHO CC(C)CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127653094 837188294 /nfs/dbraw/zinc/18/82/94/837188294.db2.gz LLGVXWSAXXWZPI-MGPQQGTHSA-N 1 3 355.483 -0.097 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCC2)CC[N@H+]1C ZINC001127691024 837193164 /nfs/dbraw/zinc/19/31/64/837193164.db2.gz YCVSWBSTTMWVKC-TZMCWYRMSA-N 1 3 353.467 -0.199 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001127691024 837193157 /nfs/dbraw/zinc/19/31/57/837193157.db2.gz YCVSWBSTTMWVKC-TZMCWYRMSA-N 1 3 353.467 -0.199 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NCC(C)C)CC[N@H+]1C ZINC001127701542 837194455 /nfs/dbraw/zinc/19/44/55/837194455.db2.gz SUCOQGRIDJUPHV-UONOGXRCSA-N 1 3 355.483 -0.096 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(=O)NCC(C)C)CC[N@@H+]1C ZINC001127701542 837194451 /nfs/dbraw/zinc/19/44/51/837194451.db2.gz SUCOQGRIDJUPHV-UONOGXRCSA-N 1 3 355.483 -0.096 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001127705331 837194273 /nfs/dbraw/zinc/19/42/73/837194273.db2.gz AFENGYTVJCYWIE-FPMFFAJLSA-N 1 3 353.467 -0.201 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001127705331 837194264 /nfs/dbraw/zinc/19/42/64/837194264.db2.gz AFENGYTVJCYWIE-FPMFFAJLSA-N 1 3 353.467 -0.201 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC001127705332 837193980 /nfs/dbraw/zinc/19/39/80/837193980.db2.gz AFENGYTVJCYWIE-KWCYVHTRSA-N 1 3 353.467 -0.201 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001127705332 837193976 /nfs/dbraw/zinc/19/39/76/837193976.db2.gz AFENGYTVJCYWIE-KWCYVHTRSA-N 1 3 353.467 -0.201 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC001127707001 837227280 /nfs/dbraw/zinc/22/72/80/837227280.db2.gz SMZYTJLGBLKLTG-UONOGXRCSA-N 1 3 351.451 -0.980 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1C ZINC001127707001 837227272 /nfs/dbraw/zinc/22/72/72/837227272.db2.gz SMZYTJLGBLKLTG-UONOGXRCSA-N 1 3 351.451 -0.980 20 0 FBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204489 837770496 /nfs/dbraw/zinc/77/04/96/837770496.db2.gz GEBOSLVLPRQYPU-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129204490 837770367 /nfs/dbraw/zinc/77/03/67/837770367.db2.gz GEBOSLVLPRQYPU-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129228219 837776489 /nfs/dbraw/zinc/77/64/89/837776489.db2.gz JBGZDUFVSWJYHW-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129228220 837776437 /nfs/dbraw/zinc/77/64/37/837776437.db2.gz JBGZDUFVSWJYHW-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228468 837778450 /nfs/dbraw/zinc/77/84/50/837778450.db2.gz UFENFBXXCOWKHV-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129228469 837777470 /nfs/dbraw/zinc/77/74/70/837777470.db2.gz UFENFBXXCOWKHV-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369930 839319255 /nfs/dbraw/zinc/31/92/55/839319255.db2.gz KHYMYNQGNNRLOX-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369930 839319243 /nfs/dbraw/zinc/31/92/43/839319243.db2.gz KHYMYNQGNNRLOX-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369932 839318197 /nfs/dbraw/zinc/31/81/97/839318197.db2.gz KHYMYNQGNNRLOX-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129369932 839318185 /nfs/dbraw/zinc/31/81/85/839318185.db2.gz KHYMYNQGNNRLOX-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129384767 839352985 /nfs/dbraw/zinc/35/29/85/839352985.db2.gz AOUIXCXPGINGKR-CVEARBPZSA-N 1 3 350.467 -0.002 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129385102 839354718 /nfs/dbraw/zinc/35/47/18/839354718.db2.gz HXERYOBWAJGDNE-CVEARBPZSA-N 1 3 350.467 -0.002 20 0 FBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433586 839504256 /nfs/dbraw/zinc/50/42/56/839504256.db2.gz HQUHDOJBBJHJAV-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433586 839504249 /nfs/dbraw/zinc/50/42/49/839504249.db2.gz HQUHDOJBBJHJAV-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO COCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433587 839503886 /nfs/dbraw/zinc/50/38/86/839503886.db2.gz HQUHDOJBBJHJAV-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO COCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433587 839503876 /nfs/dbraw/zinc/50/38/76/839503876.db2.gz HQUHDOJBBJHJAV-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129837440 839549407 /nfs/dbraw/zinc/54/94/07/839549407.db2.gz DRDPYXPKHFKRAO-OAGGEKHMSA-N 1 3 350.467 -0.125 20 0 FBADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129837443 839548942 /nfs/dbraw/zinc/54/89/42/839548942.db2.gz DRDPYXPKHFKRAO-PMPSAXMXSA-N 1 3 350.467 -0.125 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129849949 839548042 /nfs/dbraw/zinc/54/80/42/839548042.db2.gz DKRSUNBYAKTLDQ-JJXSEGSLSA-N 1 3 350.467 -0.004 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129849949 839548034 /nfs/dbraw/zinc/54/80/34/839548034.db2.gz DKRSUNBYAKTLDQ-JJXSEGSLSA-N 1 3 350.467 -0.004 20 0 FBADHO CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858276 839547675 /nfs/dbraw/zinc/54/76/75/839547675.db2.gz TUXMSZKYYVVSLV-FPCVCCKLSA-N 1 3 350.467 -0.004 20 0 FBADHO CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858276 839547670 /nfs/dbraw/zinc/54/76/70/839547670.db2.gz TUXMSZKYYVVSLV-FPCVCCKLSA-N 1 3 350.467 -0.004 20 0 FBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129878774 839550215 /nfs/dbraw/zinc/55/02/15/839550215.db2.gz DRHGGFLLNAOIIJ-KFWWJZLASA-N 1 3 356.446 -0.318 20 0 FBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129878775 839550852 /nfs/dbraw/zinc/55/08/52/839550852.db2.gz DRHGGFLLNAOIIJ-ZNMIVQPWSA-N 1 3 356.446 -0.318 20 0 FBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129879014 839550122 /nfs/dbraw/zinc/55/01/22/839550122.db2.gz NXZHZNJLMCVCHE-KFWWJZLASA-N 1 3 356.446 -0.054 20 0 FBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129879015 839550251 /nfs/dbraw/zinc/55/02/51/839550251.db2.gz NXZHZNJLMCVCHE-ZNMIVQPWSA-N 1 3 356.446 -0.054 20 0 FBADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892155 839553028 /nfs/dbraw/zinc/55/30/28/839553028.db2.gz KNWMVAGWKVDESL-OWCLPIDISA-N 1 3 350.467 -0.004 20 0 FBADHO COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892156 839553518 /nfs/dbraw/zinc/55/35/18/839553518.db2.gz KNWMVAGWKVDESL-PMPSAXMXSA-N 1 3 350.467 -0.004 20 0 FBADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892416 839553160 /nfs/dbraw/zinc/55/31/60/839553160.db2.gz WIDQZQWZNHAYAJ-OWCLPIDISA-N 1 3 350.467 -0.004 20 0 FBADHO CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892417 839552634 /nfs/dbraw/zinc/55/26/34/839552634.db2.gz WIDQZQWZNHAYAJ-PMPSAXMXSA-N 1 3 350.467 -0.004 20 0 FBADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)N1CCCC1 ZINC001129970202 839564809 /nfs/dbraw/zinc/56/48/09/839564809.db2.gz CWYUMAVODAOETH-CABCVRRESA-N 1 3 350.467 -0.124 20 0 FBADHO COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980678 839566228 /nfs/dbraw/zinc/56/62/28/839566228.db2.gz SRONRIFRHDVRDY-JONQDZQNSA-N 1 3 350.467 -0.004 20 0 FBADHO COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980678 839566219 /nfs/dbraw/zinc/56/62/19/839566219.db2.gz SRONRIFRHDVRDY-JONQDZQNSA-N 1 3 350.467 -0.004 20 0 FBADHO CCOCCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982623 839566346 /nfs/dbraw/zinc/56/63/46/839566346.db2.gz GCVRMMYNGXLMFK-CABCVRRESA-N 1 3 350.467 -0.002 20 0 FBADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129991986 839569244 /nfs/dbraw/zinc/56/92/44/839569244.db2.gz GLDAMYXYSJKDRM-OLZOCXBDSA-N 1 3 360.409 -0.147 20 0 FBADHO COCCOCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992310 839570304 /nfs/dbraw/zinc/57/03/04/839570304.db2.gz XZLXUWTYRYZMGG-CABCVRRESA-N 1 3 354.455 -0.766 20 0 FBADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129994557 839567687 /nfs/dbraw/zinc/56/76/87/839567687.db2.gz UPLKACFYEYFUHQ-CVEARBPZSA-N 1 3 350.467 -0.002 20 0 FBADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005973 839571051 /nfs/dbraw/zinc/57/10/51/839571051.db2.gz NKURNTBAQVMYRY-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO COCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005974 839571303 /nfs/dbraw/zinc/57/13/03/839571303.db2.gz NKURNTBAQVMYRY-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006038 839571479 /nfs/dbraw/zinc/57/14/79/839571479.db2.gz QBUPHISVIRNBGK-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130006039 839571693 /nfs/dbraw/zinc/57/16/93/839571693.db2.gz QBUPHISVIRNBGK-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CN(CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130011927 839569900 /nfs/dbraw/zinc/56/99/00/839569900.db2.gz FNQUSPPOXYLRTJ-CABCVRRESA-N 1 3 352.483 -0.020 20 0 FBADHO C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012020 839570406 /nfs/dbraw/zinc/57/04/06/839570406.db2.gz JRTSFRKLJOOXJI-KFWWJZLASA-N 1 3 352.483 -0.022 20 0 FBADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012021 839570442 /nfs/dbraw/zinc/57/04/42/839570442.db2.gz JRTSFRKLJOOXJI-ZNMIVQPWSA-N 1 3 352.483 -0.022 20 0 FBADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130012055 839569626 /nfs/dbraw/zinc/56/96/26/839569626.db2.gz MDJGRCNSRXWIJN-CABCVRRESA-N 1 3 350.467 -0.266 20 0 FBADHO COCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012089 839570086 /nfs/dbraw/zinc/57/00/86/839570086.db2.gz NZYPTAFLQXWORL-CABCVRRESA-N 1 3 350.467 -0.002 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130047796 839575408 /nfs/dbraw/zinc/57/54/08/839575408.db2.gz UKKYAYNBNFKHAB-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130047797 839575517 /nfs/dbraw/zinc/57/55/17/839575517.db2.gz UKKYAYNBNFKHAB-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CCOCCN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086211 839577591 /nfs/dbraw/zinc/57/75/91/839577591.db2.gz PSQBWLVCLRUGLD-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO CCOCCN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086211 839577581 /nfs/dbraw/zinc/57/75/81/839577581.db2.gz PSQBWLVCLRUGLD-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO CCOCCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086212 839577701 /nfs/dbraw/zinc/57/77/01/839577701.db2.gz PSQBWLVCLRUGLD-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CCOCCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086212 839577690 /nfs/dbraw/zinc/57/76/90/839577690.db2.gz PSQBWLVCLRUGLD-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130107412 839581245 /nfs/dbraw/zinc/58/12/45/839581245.db2.gz PEMUMCXOIXCKAW-OAGGEKHMSA-N 1 3 350.467 -0.002 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130107413 839581625 /nfs/dbraw/zinc/58/16/25/839581625.db2.gz PEMUMCXOIXCKAW-XHSDSOJGSA-N 1 3 350.467 -0.002 20 0 FBADHO CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122917 839583516 /nfs/dbraw/zinc/58/35/16/839583516.db2.gz BMCAYPJSTIHGRS-OAGGEKHMSA-N 1 3 350.467 -0.004 20 0 FBADHO CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122917 839583508 /nfs/dbraw/zinc/58/35/08/839583508.db2.gz BMCAYPJSTIHGRS-OAGGEKHMSA-N 1 3 350.467 -0.004 20 0 FBADHO CC(C)OCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122918 839583788 /nfs/dbraw/zinc/58/37/88/839583788.db2.gz BMCAYPJSTIHGRS-XHSDSOJGSA-N 1 3 350.467 -0.004 20 0 FBADHO CC(C)OCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122918 839583783 /nfs/dbraw/zinc/58/37/83/839583783.db2.gz BMCAYPJSTIHGRS-XHSDSOJGSA-N 1 3 350.467 -0.004 20 0 FBADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137224 839585143 /nfs/dbraw/zinc/58/51/43/839585143.db2.gz ODDBUASXSBTAEQ-OAGGEKHMSA-N 1 3 350.467 -0.124 20 0 FBADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137225 839584879 /nfs/dbraw/zinc/58/48/79/839584879.db2.gz ODDBUASXSBTAEQ-PMPSAXMXSA-N 1 3 350.467 -0.124 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130137400 839584853 /nfs/dbraw/zinc/58/48/53/839584853.db2.gz XLLWVYSCAKKHNU-OAGGEKHMSA-N 1 3 350.467 -0.004 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001130137401 839584902 /nfs/dbraw/zinc/58/49/02/839584902.db2.gz XLLWVYSCAKKHNU-XHSDSOJGSA-N 1 3 350.467 -0.004 20 0 FBADHO CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[n-]1)[NH+](C)C ZINC001130221152 839607394 /nfs/dbraw/zinc/60/73/94/839607394.db2.gz XCQNOHOXFYXGDV-XQQFMLRXSA-N 1 3 354.455 -0.785 20 0 FBADHO CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[n-]1)[NH+](C)C ZINC001130238173 839611878 /nfs/dbraw/zinc/61/18/78/839611878.db2.gz XCQNOHOXFYXGDV-AVGNSLFASA-N 1 3 354.455 -0.785 20 0 FBADHO CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[n-]1 ZINC001130242281 839611861 /nfs/dbraw/zinc/61/18/61/839611861.db2.gz PJGBJFNJUPLLAC-STQMWFEESA-N 1 3 354.455 -0.783 20 0 FBADHO CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[n-]1 ZINC001130249277 839611148 /nfs/dbraw/zinc/61/11/48/839611148.db2.gz VEPSPBMFVPKJIV-STQMWFEESA-N 1 3 354.455 -0.783 20 0 FBADHO CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[n-]1 ZINC001130249277 839611141 /nfs/dbraw/zinc/61/11/41/839611141.db2.gz VEPSPBMFVPKJIV-STQMWFEESA-N 1 3 354.455 -0.783 20 0 FBADHO CC(C)[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[n-]1 ZINC001130251289 839613115 /nfs/dbraw/zinc/61/31/15/839613115.db2.gz LOOUYDJIICCYNS-STQMWFEESA-N 1 3 354.455 -0.785 20 0 FBADHO CC(C)[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCO)[n-]1 ZINC001130251289 839613113 /nfs/dbraw/zinc/61/31/13/839613113.db2.gz LOOUYDJIICCYNS-STQMWFEESA-N 1 3 354.455 -0.785 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)N(C)C ZINC001130293304 839616604 /nfs/dbraw/zinc/61/66/04/839616604.db2.gz STHMULWZJRQXNT-INMHGKMJSA-N 1 3 354.495 -0.206 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1)N(C)C ZINC001130302257 839617480 /nfs/dbraw/zinc/61/74/80/839617480.db2.gz STHMULWZJRQXNT-VYDXJSESSA-N 1 3 354.495 -0.206 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130305202 839617387 /nfs/dbraw/zinc/61/73/87/839617387.db2.gz NNNGLFGEUNJOGN-QAPCUYQASA-N 1 3 354.495 -0.204 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130305257 839617458 /nfs/dbraw/zinc/61/74/58/839617458.db2.gz PTHIWYCRXVUSBW-QAPCUYQASA-N 1 3 354.495 -0.204 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130307307 839617855 /nfs/dbraw/zinc/61/78/55/839617855.db2.gz OWYWDLGUCFXFIW-QAPCUYQASA-N 1 3 354.495 -0.206 20 0 FBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130602571 839631385 /nfs/dbraw/zinc/63/13/85/839631385.db2.gz JANLZXREKKNWMU-OFQRWUPVSA-N 1 3 355.458 -0.024 20 0 FBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130602572 839631876 /nfs/dbraw/zinc/63/18/76/839631876.db2.gz JANLZXREKKNWMU-SQWLQELKSA-N 1 3 355.458 -0.024 20 0 FBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131003977 839664320 /nfs/dbraw/zinc/66/43/20/839664320.db2.gz VUHUPLVDMUGJFO-QLFBSQMISA-N 1 3 355.458 -0.024 20 0 FBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131003978 839664351 /nfs/dbraw/zinc/66/43/51/839664351.db2.gz VUHUPLVDMUGJFO-RBSFLKMASA-N 1 3 355.458 -0.024 20 0 FBADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131464396 839684581 /nfs/dbraw/zinc/68/45/81/839684581.db2.gz PTFWGWAAXUYRQW-INMHGKMJSA-N 1 3 352.479 -0.188 20 0 FBADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131464397 839684712 /nfs/dbraw/zinc/68/47/12/839684712.db2.gz PTFWGWAAXUYRQW-VYDXJSESSA-N 1 3 352.479 -0.188 20 0 FBADHO C[NH+](C)CC1(C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(N)=O)CC2)CC1 ZINC001131549865 839691705 /nfs/dbraw/zinc/69/17/05/839691705.db2.gz CKSNUJXSHFRVQO-ZBFHGGJFSA-N 1 3 352.479 -0.201 20 0 FBADHO CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604683 839694723 /nfs/dbraw/zinc/69/47/23/839694723.db2.gz BHWYLWAMADNVST-QAPCUYQASA-N 1 3 352.479 -0.186 20 0 FBADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131604749 839694654 /nfs/dbraw/zinc/69/46/54/839694654.db2.gz FHTTWJXKWOMSKY-INMHGKMJSA-N 1 3 352.479 -0.330 20 0 FBADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001131604749 839694648 /nfs/dbraw/zinc/69/46/48/839694648.db2.gz FHTTWJXKWOMSKY-INMHGKMJSA-N 1 3 352.479 -0.330 20 0 FBADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131604750 839694677 /nfs/dbraw/zinc/69/46/77/839694677.db2.gz FHTTWJXKWOMSKY-UXLLHSPISA-N 1 3 352.479 -0.330 20 0 FBADHO CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001131604750 839694671 /nfs/dbraw/zinc/69/46/71/839694671.db2.gz FHTTWJXKWOMSKY-UXLLHSPISA-N 1 3 352.479 -0.330 20 0 FBADHO C[N@H+]1C[C@H](C(=O)NCCNCCNS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001134126506 839728374 /nfs/dbraw/zinc/72/83/74/839728374.db2.gz VGRGVSGYEUTNLY-CVEARBPZSA-N 1 3 368.503 -0.413 20 0 FBADHO C[N@@H+]1C[C@H](C(=O)NCCNCCNS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC001134126506 839728370 /nfs/dbraw/zinc/72/83/70/839728370.db2.gz VGRGVSGYEUTNLY-CVEARBPZSA-N 1 3 368.503 -0.413 20 0 FBADHO COCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001142822719 843718009 /nfs/dbraw/zinc/71/80/09/843718009.db2.gz IBWUGNYMAXVCDV-IICXDKKESA-N 1 3 361.483 -0.072 20 0 FBADHO COCC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001142822720 843718127 /nfs/dbraw/zinc/71/81/27/843718127.db2.gz IBWUGNYMAXVCDV-RDUHTLEXSA-N 1 3 361.483 -0.072 20 0 FBADHO COCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001142822721 843718311 /nfs/dbraw/zinc/71/83/11/843718311.db2.gz IBWUGNYMAXVCDV-UNPMEBSKSA-N 1 3 361.483 -0.072 20 0 FBADHO COCC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001142822722 843718093 /nfs/dbraw/zinc/71/80/93/843718093.db2.gz IBWUGNYMAXVCDV-YOPIWALVSA-N 1 3 361.483 -0.072 20 0 FBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153492083 843774306 /nfs/dbraw/zinc/77/43/06/843774306.db2.gz SIWNIKQOPUACOW-MGPQQGTHSA-N 1 3 353.467 -0.295 20 0 FBADHO CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153492083 843774298 /nfs/dbraw/zinc/77/42/98/843774298.db2.gz SIWNIKQOPUACOW-MGPQQGTHSA-N 1 3 353.467 -0.295 20 0 FBADHO N=C(NCCCC[NH3+])Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001157099263 843834291 /nfs/dbraw/zinc/83/42/91/843834291.db2.gz NESGPQBGMILJMZ-UHFFFAOYSA-N 1 3 356.452 -0.222 20 0 FBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C1CCC2(CC1)OCCO2 ZINC001157336317 843839307 /nfs/dbraw/zinc/83/93/07/843839307.db2.gz MYFMZRCXLHEYIQ-KBPBESRZSA-N 1 3 356.467 -0.393 20 0 FBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](N)C1CCC2(CC1)OCCO2 ZINC001157336319 843839373 /nfs/dbraw/zinc/83/93/73/843839373.db2.gz MYFMZRCXLHEYIQ-UONOGXRCSA-N 1 3 356.467 -0.393 20 0 FBADHO Cn1ccnc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157422280 839479252 /nfs/dbraw/zinc/47/92/52/839479252.db2.gz LHBOISHGNWJKEK-KBPBESRZSA-N 1 3 350.467 -0.474 20 0 FBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC001157448816 843843023 /nfs/dbraw/zinc/84/30/23/843843023.db2.gz KYEJUSYZWVHDDK-ZDUSSCGKSA-N 1 3 354.451 -0.401 20 0 FBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496834 843843196 /nfs/dbraw/zinc/84/31/96/843843196.db2.gz IZGGURWDHNFRCP-CABCVRRESA-N 1 3 350.463 -0.290 20 0 FBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496834 843843185 /nfs/dbraw/zinc/84/31/85/843843185.db2.gz IZGGURWDHNFRCP-CABCVRRESA-N 1 3 350.463 -0.290 20 0 FBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496835 843843555 /nfs/dbraw/zinc/84/35/55/843843555.db2.gz IZGGURWDHNFRCP-GJZGRUSLSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496835 843843543 /nfs/dbraw/zinc/84/35/43/843843543.db2.gz IZGGURWDHNFRCP-GJZGRUSLSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496836 843843666 /nfs/dbraw/zinc/84/36/66/843843666.db2.gz IZGGURWDHNFRCP-HUUCEWRRSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496836 843843649 /nfs/dbraw/zinc/84/36/49/843843649.db2.gz IZGGURWDHNFRCP-HUUCEWRRSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157496837 843843461 /nfs/dbraw/zinc/84/34/61/843843461.db2.gz IZGGURWDHNFRCP-LSDHHAIUSA-N 1 3 350.463 -0.290 20 0 FBADHO O=C([C@H]1CCCO1)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157496837 843843450 /nfs/dbraw/zinc/84/34/50/843843450.db2.gz IZGGURWDHNFRCP-LSDHHAIUSA-N 1 3 350.463 -0.290 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(N2CC(F)C2)C1 ZINC001157528458 843844148 /nfs/dbraw/zinc/84/41/48/843844148.db2.gz TYUKTTBRXIRAMD-GJZGRUSLSA-N 1 3 355.458 -0.702 20 0 FBADHO N[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CC[NH2+]CC3)c2)C[C@H]1F ZINC001157556056 843843935 /nfs/dbraw/zinc/84/39/35/843843935.db2.gz SGNVQXSYWUBBQI-CABCVRRESA-N 1 3 370.450 -0.162 20 0 FBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157579080 843845227 /nfs/dbraw/zinc/84/52/27/843845227.db2.gz HZCLPUQZYGGFLK-UHFFFAOYSA-N 1 3 360.524 -0.069 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCOCC(F)(F)C1 ZINC001157708215 843845758 /nfs/dbraw/zinc/84/57/58/843845758.db2.gz JZOKIKDWQLRJGD-STQMWFEESA-N 1 3 362.421 -0.072 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157729067 839492453 /nfs/dbraw/zinc/49/24/53/839492453.db2.gz CGUJGMJYFUDMAE-AJNGGQMLSA-N 1 3 358.458 -0.387 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157729068 839492202 /nfs/dbraw/zinc/49/22/02/839492202.db2.gz CGUJGMJYFUDMAE-KBXIAJHMSA-N 1 3 358.458 -0.387 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157729069 839492270 /nfs/dbraw/zinc/49/22/70/839492270.db2.gz CGUJGMJYFUDMAE-QPSCCSFWSA-N 1 3 358.458 -0.387 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157729070 839492076 /nfs/dbraw/zinc/49/20/76/839492076.db2.gz CGUJGMJYFUDMAE-XGUBFFRZSA-N 1 3 358.458 -0.387 20 0 FBADHO O=C(N1CCN(c2nccnc2Cl)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157873258 843849216 /nfs/dbraw/zinc/84/92/16/843849216.db2.gz CKCIBHJALGRJFL-MLGOLLRUSA-N 1 3 350.854 -0.022 20 0 FBADHO C[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1F ZINC001157900029 843849863 /nfs/dbraw/zinc/84/98/63/843849863.db2.gz DXXROZDIDMOCDU-AYMQEEERSA-N 1 3 358.458 -0.245 20 0 FBADHO CN1CCN(C(=N)Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001157910491 843849930 /nfs/dbraw/zinc/84/99/30/843849930.db2.gz HTXFYJDKADVMHF-UHFFFAOYSA-N 1 3 367.479 -0.838 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCNCC(F)(F)C1 ZINC001157943650 839617284 /nfs/dbraw/zinc/61/72/84/839617284.db2.gz DSSJLFZLIZENKA-STQMWFEESA-N 1 3 361.437 -0.499 20 0 FBADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001158000749 843851702 /nfs/dbraw/zinc/85/17/02/843851702.db2.gz ZKQOFAWFHNFMSR-GDBMZVCRSA-N 1 3 352.479 -0.186 20 0 FBADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001158000750 843852009 /nfs/dbraw/zinc/85/20/09/843852009.db2.gz ZKQOFAWFHNFMSR-GOEBONIOSA-N 1 3 352.479 -0.186 20 0 FBADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001158000751 843852231 /nfs/dbraw/zinc/85/22/31/843852231.db2.gz ZKQOFAWFHNFMSR-HOCLYGCPSA-N 1 3 352.479 -0.186 20 0 FBADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001158000752 843851922 /nfs/dbraw/zinc/85/19/22/843851922.db2.gz ZKQOFAWFHNFMSR-ZBFHGGJFSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)COC1(C)C ZINC001158077761 843853428 /nfs/dbraw/zinc/85/34/28/843853428.db2.gz XDKWWVPCTUBGOI-STQMWFEESA-N 1 3 354.451 -0.722 20 0 FBADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111515 843854754 /nfs/dbraw/zinc/85/47/54/843854754.db2.gz OSRRQXIAKFFKCN-JRPNMDOOSA-N 1 3 360.380 -0.145 20 0 FBADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111516 843854231 /nfs/dbraw/zinc/85/42/31/843854231.db2.gz OSRRQXIAKFFKCN-PGUXBMHVSA-N 1 3 360.380 -0.145 20 0 FBADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111517 843854775 /nfs/dbraw/zinc/85/47/75/843854775.db2.gz OSRRQXIAKFFKCN-ZETOZRRWSA-N 1 3 360.380 -0.145 20 0 FBADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111518 843854853 /nfs/dbraw/zinc/85/48/53/843854853.db2.gz OSRRQXIAKFFKCN-ZIBATOQPSA-N 1 3 360.380 -0.145 20 0 FBADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111674 843854201 /nfs/dbraw/zinc/85/42/01/843854201.db2.gz QCMTWBNHPUMESE-JRPNMDOOSA-N 1 3 360.380 -0.145 20 0 FBADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111675 843854560 /nfs/dbraw/zinc/85/45/60/843854560.db2.gz QCMTWBNHPUMESE-ZETOZRRWSA-N 1 3 360.380 -0.145 20 0 FBADHO CN[C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@H](C)OC(C)(C)C ZINC001158118970 843854328 /nfs/dbraw/zinc/85/43/28/843854328.db2.gz FGDBCYQSDGFXSS-FHSNZYRGSA-N 1 3 352.479 -0.284 20 0 FBADHO CN[C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@H](C)OC(C)(C)C ZINC001158118972 843854284 /nfs/dbraw/zinc/85/42/84/843854284.db2.gz FGDBCYQSDGFXSS-VBHSOAQHSA-N 1 3 352.479 -0.284 20 0 FBADHO CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001158191447 843855489 /nfs/dbraw/zinc/85/54/89/843855489.db2.gz QHIPLFPSIJITOM-LBPRGKRZSA-N 1 3 355.464 -0.189 20 0 FBADHO O=C([C@H]1COC2(CNC2)CN1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158238891 843857006 /nfs/dbraw/zinc/85/70/06/843857006.db2.gz ASWVATHTYPFYQS-NEPJUHHUSA-N 1 3 362.396 -0.008 20 0 FBADHO O=C([C@@H]1COC2(CNC2)CN1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158238892 843856745 /nfs/dbraw/zinc/85/67/45/843856745.db2.gz ASWVATHTYPFYQS-NWDGAFQWSA-N 1 3 362.396 -0.008 20 0 FBADHO O=C([C@@H]1COC2(CNC2)CN1)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158238894 843857308 /nfs/dbraw/zinc/85/73/08/843857308.db2.gz ASWVATHTYPFYQS-RYUDHWBXSA-N 1 3 362.396 -0.008 20 0 FBADHO O=C([C@H]1COC2(CNC2)CN1)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158238896 843857273 /nfs/dbraw/zinc/85/72/73/843857273.db2.gz ASWVATHTYPFYQS-VXGBXAGGSA-N 1 3 362.396 -0.008 20 0 FBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337252 843858358 /nfs/dbraw/zinc/85/83/58/843858358.db2.gz RNHUENFMMYGQDG-LSDHHAIUSA-N 1 3 352.460 -0.696 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CO)NC)C2 ZINC001158379204 843859372 /nfs/dbraw/zinc/85/93/72/843859372.db2.gz CEZPAOYCOGSQQE-BIMULSAOSA-N 1 3 353.341 -0.890 20 0 FBADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CO)NC)C2 ZINC001158379205 843859446 /nfs/dbraw/zinc/85/94/46/843859446.db2.gz CEZPAOYCOGSQQE-TVYUQYBPSA-N 1 3 353.341 -0.890 20 0 FBADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CO)NC)C2 ZINC001158379206 843859520 /nfs/dbraw/zinc/85/95/20/843859520.db2.gz CEZPAOYCOGSQQE-XDTLVQLUSA-N 1 3 353.341 -0.890 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CO)NC)C2 ZINC001158379207 843859341 /nfs/dbraw/zinc/85/93/41/843859341.db2.gz CEZPAOYCOGSQQE-ZWKOPEQDSA-N 1 3 353.341 -0.890 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CN)OC)C2 ZINC001158384506 843860271 /nfs/dbraw/zinc/86/02/71/843860271.db2.gz WPYFPNXNLHUILG-BIMULSAOSA-N 1 3 353.341 -0.496 20 0 FBADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CN)OC)C2 ZINC001158384507 843860473 /nfs/dbraw/zinc/86/04/73/843860473.db2.gz WPYFPNXNLHUILG-TVYUQYBPSA-N 1 3 353.341 -0.496 20 0 FBADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CN)OC)C2 ZINC001158384508 843860583 /nfs/dbraw/zinc/86/05/83/843860583.db2.gz WPYFPNXNLHUILG-XDTLVQLUSA-N 1 3 353.341 -0.496 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CN)OC)C2 ZINC001158384509 843860253 /nfs/dbraw/zinc/86/02/53/843860253.db2.gz WPYFPNXNLHUILG-ZWKOPEQDSA-N 1 3 353.341 -0.496 20 0 FBADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@](C)(N)CO)C2 ZINC001158384971 843860544 /nfs/dbraw/zinc/86/05/44/843860544.db2.gz UCYMMYVDSVRGSH-AVGNSLFASA-N 1 3 353.341 -0.760 20 0 FBADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@](C)(N)CO)C2 ZINC001158384975 843860337 /nfs/dbraw/zinc/86/03/37/843860337.db2.gz UCYMMYVDSVRGSH-RWMBFGLXSA-N 1 3 353.341 -0.760 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@](C)(N)CO)C2 ZINC001158384978 843860243 /nfs/dbraw/zinc/86/02/43/843860243.db2.gz UCYMMYVDSVRGSH-XQQFMLRXSA-N 1 3 353.341 -0.760 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@](C)(N)CO)C2 ZINC001158384981 843860643 /nfs/dbraw/zinc/86/06/43/843860643.db2.gz UCYMMYVDSVRGSH-YNEHKIRRSA-N 1 3 353.341 -0.760 20 0 FBADHO C[C@H](NC(=O)CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158389663 843861612 /nfs/dbraw/zinc/86/16/12/843861612.db2.gz IIHRYUIXYRRAST-BFHYXJOUSA-N 1 3 355.483 -0.985 20 0 FBADHO C[C@H](NC(=O)CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158389663 843861605 /nfs/dbraw/zinc/86/16/05/843861605.db2.gz IIHRYUIXYRRAST-BFHYXJOUSA-N 1 3 355.483 -0.985 20 0 FBADHO C[C@@H](NC(=O)CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158389664 843861373 /nfs/dbraw/zinc/86/13/73/843861373.db2.gz IIHRYUIXYRRAST-MGPQQGTHSA-N 1 3 355.483 -0.985 20 0 FBADHO C[C@@H](NC(=O)CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001158389664 843861363 /nfs/dbraw/zinc/86/13/63/843861363.db2.gz IIHRYUIXYRRAST-MGPQQGTHSA-N 1 3 355.483 -0.985 20 0 FBADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001158416545 843861997 /nfs/dbraw/zinc/86/19/97/843861997.db2.gz WNGWNGZEDFUKHS-DTTOXWODSA-N 1 3 351.447 -0.244 20 0 FBADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001158430730 843862381 /nfs/dbraw/zinc/86/23/81/843862381.db2.gz LFUNRJGJMNBTHD-LBPRGKRZSA-N 1 3 352.439 -0.144 20 0 FBADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@](C)(N)CO)C2 ZINC001158468730 843863762 /nfs/dbraw/zinc/86/37/62/843863762.db2.gz PSYLHAUROXOGQO-QANKJYHBSA-N 1 3 353.463 -0.132 20 0 FBADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@H](CO)NC)C2 ZINC001158478995 843863423 /nfs/dbraw/zinc/86/34/23/843863423.db2.gz IBYKHFJZVFXVIR-SUNYJGFJSA-N 1 3 353.463 -0.262 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001158496469 843864908 /nfs/dbraw/zinc/86/49/08/843864908.db2.gz ONTRCIZSASMOSJ-IBTNMTNLSA-N 1 3 351.447 -0.103 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001158496470 843864491 /nfs/dbraw/zinc/86/44/91/843864491.db2.gz ONTRCIZSASMOSJ-SUKQMUEJSA-N 1 3 351.447 -0.103 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001158496471 843864810 /nfs/dbraw/zinc/86/48/10/843864810.db2.gz ONTRCIZSASMOSJ-VAVSNJLASA-N 1 3 351.447 -0.103 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001158496472 843864703 /nfs/dbraw/zinc/86/47/03/843864703.db2.gz ONTRCIZSASMOSJ-YUYGLALOSA-N 1 3 351.447 -0.103 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CN1CCCC[C@H](N)C1=O ZINC001158498331 843864354 /nfs/dbraw/zinc/86/43/54/843864354.db2.gz OMCBAGKPTRNGJC-XDQVBPFNSA-N 1 3 352.435 -0.922 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)[C@@H](N)CC(C)C ZINC001158498454 843864377 /nfs/dbraw/zinc/86/43/77/843864377.db2.gz PSCIKXSJBHBZOC-XDQVBPFNSA-N 1 3 354.451 -0.772 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC001158499487 843864768 /nfs/dbraw/zinc/86/47/68/843864768.db2.gz ZCVSVBVBHGEMSZ-BAYHKCFCSA-N 1 3 354.451 -0.772 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001158499488 843864834 /nfs/dbraw/zinc/86/48/34/843864834.db2.gz ZDOPHPRJWFJKLI-HTVCTNPSSA-N 1 3 352.435 -0.923 20 0 FBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CCCCNC(C)=O ZINC001158505562 843864635 /nfs/dbraw/zinc/86/46/35/843864635.db2.gz CUKWCBNMLHUXRN-ZQDZILKHSA-N 1 3 354.451 -0.628 20 0 FBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533735 843865429 /nfs/dbraw/zinc/86/54/29/843865429.db2.gz PCQYBIWNPMDHCG-CIBFVHANSA-N 1 3 352.479 -0.156 20 0 FBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533736 843865520 /nfs/dbraw/zinc/86/55/20/843865520.db2.gz PCQYBIWNPMDHCG-PYOGLGTISA-N 1 3 352.479 -0.156 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)COC1(C)C ZINC001158579245 843866485 /nfs/dbraw/zinc/86/64/85/843866485.db2.gz QKYXTPPPNGMHPG-CYDGBPFRSA-N 1 3 356.442 -0.168 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)COC1(C)C ZINC001158579246 843866686 /nfs/dbraw/zinc/86/66/86/843866686.db2.gz QKYXTPPPNGMHPG-LOWDOPEQSA-N 1 3 356.442 -0.168 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)COC1(C)C ZINC001158579247 843866773 /nfs/dbraw/zinc/86/67/73/843866773.db2.gz QKYXTPPPNGMHPG-RNJOBUHISA-N 1 3 356.442 -0.168 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)COC1(C)C ZINC001158579248 843866524 /nfs/dbraw/zinc/86/65/24/843866524.db2.gz QKYXTPPPNGMHPG-RVMXOQNASA-N 1 3 356.442 -0.168 20 0 FBADHO C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001158626036 843866635 /nfs/dbraw/zinc/86/66/35/843866635.db2.gz CIHCUWTWVOWRMO-FZKCQIBNSA-N 1 3 353.511 -0.015 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158698641 843867554 /nfs/dbraw/zinc/86/75/54/843867554.db2.gz QRGBISSQEPNXKL-AYDFFVQHSA-N 1 3 370.519 -0.366 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158715261 843868188 /nfs/dbraw/zinc/86/81/88/843868188.db2.gz HHPCSCBJHZYWSL-HWMZRRJGSA-N 1 3 352.479 -0.025 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001158715264 843868367 /nfs/dbraw/zinc/86/83/67/843868367.db2.gz HHPCSCBJHZYWSL-MPTYRVRUSA-N 1 3 352.479 -0.025 20 0 FBADHO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001158746403 843869221 /nfs/dbraw/zinc/86/92/21/843869221.db2.gz DVLOQNDNZLATSM-GFCCVEGCSA-N 1 3 353.423 -0.770 20 0 FBADHO CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001158746405 843868989 /nfs/dbraw/zinc/86/89/89/843868989.db2.gz DVLOQNDNZLATSM-LBPRGKRZSA-N 1 3 353.423 -0.770 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747618 843868789 /nfs/dbraw/zinc/86/87/89/843868789.db2.gz DUEZJOMAWLENFB-APIJFGDWSA-N 1 3 354.451 -0.672 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747619 843869148 /nfs/dbraw/zinc/86/91/48/843869148.db2.gz DUEZJOMAWLENFB-KBXIAJHMSA-N 1 3 354.451 -0.672 20 0 FBADHO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158810584 843870179 /nfs/dbraw/zinc/87/01/79/843870179.db2.gz IFASYNJZVSOYKD-KBPBESRZSA-N 1 3 356.467 -0.645 20 0 FBADHO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158810585 843869820 /nfs/dbraw/zinc/86/98/20/843869820.db2.gz IFASYNJZVSOYKD-KGLIPLIRSA-N 1 3 356.467 -0.645 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158822735 843870872 /nfs/dbraw/zinc/87/08/72/843870872.db2.gz ZHEUFGAOZPOWBV-LBPRGKRZSA-N 1 3 350.448 -0.177 20 0 FBADHO CNC(=O)CN1CCCC12CCN(C(=O)CNC1CC[NH2+]CC1)CC2 ZINC001158890159 843870968 /nfs/dbraw/zinc/87/09/68/843870968.db2.gz ATLULKLIUIODAR-UHFFFAOYSA-N 1 3 351.495 -0.469 20 0 FBADHO CNC(=O)CN1CCCC12CCN(C(=O)CCCCNC(N)=[NH2+])CC2 ZINC001158890830 843870455 /nfs/dbraw/zinc/87/04/55/843870455.db2.gz OCYCKXZSDMIQKK-UHFFFAOYSA-N 1 3 352.483 -0.157 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934926 843871941 /nfs/dbraw/zinc/87/19/41/843871941.db2.gz LHMWJLQMWRLHSG-RRFJBIMHSA-N 1 3 363.487 -0.197 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934928 843871887 /nfs/dbraw/zinc/87/18/87/843871887.db2.gz LHMWJLQMWRLHSG-SOUVJXGZSA-N 1 3 363.487 -0.197 20 0 FBADHO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@@H]21 ZINC001159048755 843876410 /nfs/dbraw/zinc/87/64/10/843876410.db2.gz XBAZTWIYCZBOOL-APIJFGDWSA-N 1 3 350.463 -0.863 20 0 FBADHO CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@@H]21 ZINC001159048756 843875913 /nfs/dbraw/zinc/87/59/13/843875913.db2.gz XBAZTWIYCZBOOL-KBUPBQIOSA-N 1 3 350.463 -0.863 20 0 FBADHO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001159075217 843876141 /nfs/dbraw/zinc/87/61/41/843876141.db2.gz FENDORQLCKLVAP-CPUCHLNUSA-N 1 3 356.467 -0.693 20 0 FBADHO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001159075218 843876362 /nfs/dbraw/zinc/87/63/62/843876362.db2.gz FENDORQLCKLVAP-KEYYUXOJSA-N 1 3 356.467 -0.693 20 0 FBADHO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001159075219 843875893 /nfs/dbraw/zinc/87/58/93/843875893.db2.gz FENDORQLCKLVAP-VBQJREDUSA-N 1 3 356.467 -0.693 20 0 FBADHO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001159075220 843876248 /nfs/dbraw/zinc/87/62/48/843876248.db2.gz FENDORQLCKLVAP-ZQIUZPCESA-N 1 3 356.467 -0.693 20 0 FBADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CSCC[NH3+])cn1 ZINC001159083907 843876166 /nfs/dbraw/zinc/87/61/66/843876166.db2.gz BSPQDRFGRSBTBZ-RWMBFGLXSA-N 1 3 352.464 -0.855 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103642 843877498 /nfs/dbraw/zinc/87/74/98/843877498.db2.gz ULHRQICBBYRURX-ZDUSSCGKSA-N 1 3 363.491 -0.468 20 0 FBADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]21 ZINC001159108757 843877566 /nfs/dbraw/zinc/87/75/66/843877566.db2.gz FXEGTOHCJKOPRO-VPKNTQAGSA-N 1 3 350.463 -0.815 20 0 FBADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001159133898 843877761 /nfs/dbraw/zinc/87/77/61/843877761.db2.gz KUKHQLBYMCNPAN-CHWSQXEVSA-N 1 3 351.455 -0.821 20 0 FBADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001159133900 843877621 /nfs/dbraw/zinc/87/76/21/843877621.db2.gz KUKHQLBYMCNPAN-QWHCGFSZSA-N 1 3 351.455 -0.821 20 0 FBADHO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@H](N)CCC[NH3+])O1 ZINC001159136069 843877792 /nfs/dbraw/zinc/87/77/92/843877792.db2.gz LDVCGKNVIQFYOJ-KBUPBQIOSA-N 1 3 356.467 -0.694 20 0 FBADHO CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H](N)CCC[NH3+])O1 ZINC001159136070 843877903 /nfs/dbraw/zinc/87/79/03/843877903.db2.gz LDVCGKNVIQFYOJ-LXTVHRRPSA-N 1 3 356.467 -0.694 20 0 FBADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H](N)CC(F)F)CC2 ZINC001159191457 843878429 /nfs/dbraw/zinc/87/84/29/843878429.db2.gz GRAOTGYNBALZIW-JTQLQIEISA-N 1 3 359.377 -0.167 20 0 FBADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]21 ZINC001159202480 843878328 /nfs/dbraw/zinc/87/83/28/843878328.db2.gz IBNWHUTTWVIGRB-XDQVBPFNSA-N 1 3 373.523 -0.860 20 0 FBADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]21 ZINC001159203852 843878592 /nfs/dbraw/zinc/87/85/92/843878592.db2.gz SWDJARGEJCBESO-ZQDZILKHSA-N 1 3 355.483 -0.423 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210653 843878488 /nfs/dbraw/zinc/87/84/88/843878488.db2.gz UDLACXQSXVOEDT-CAOSSQGBSA-N 1 3 366.487 -0.157 20 0 FBADHO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CSCC[NH3+])cn1 ZINC001159235827 843878693 /nfs/dbraw/zinc/87/86/93/843878693.db2.gz DUYVNSNQWZTKCA-MELADBBJSA-N 1 3 366.491 -0.745 20 0 FBADHO Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]32)nn1 ZINC001159299429 843879115 /nfs/dbraw/zinc/87/91/15/843879115.db2.gz ZEQWCZGBHQYVKG-MJBXVCDLSA-N 1 3 366.491 -0.780 20 0 FBADHO CCN1C[C@H]2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159403105 843881090 /nfs/dbraw/zinc/88/10/90/843881090.db2.gz FNMWVDQALIUYMQ-FRRDWIJNSA-N 1 3 364.537 -0.722 20 0 FBADHO CCN1C[C@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC[C@H]2S1(=O)=O ZINC001159404485 843880970 /nfs/dbraw/zinc/88/09/70/843880970.db2.gz RZTCPHCDJGCNRM-KCYZZUKISA-N 1 3 370.519 -0.542 20 0 FBADHO CCN1C[C@H]2CCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001159404542 843881266 /nfs/dbraw/zinc/88/12/66/843881266.db2.gz SKSCEMKSUZKGAF-KFWWJZLASA-N 1 3 358.508 -0.414 20 0 FBADHO CCN1C[C@H]2CCN(C(=O)[C@H](N)C3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001159404561 843881467 /nfs/dbraw/zinc/88/14/67/843881467.db2.gz SKSCEMKSUZKGAF-RBSFLKMASA-N 1 3 358.508 -0.414 20 0 FBADHO CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@H](N)CCC[NH3+])C2)O1 ZINC001159451582 843882967 /nfs/dbraw/zinc/88/29/67/843882967.db2.gz ZQBYGTFKVIALPB-CKEIUWERSA-N 1 3 355.483 -0.136 20 0 FBADHO CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@@H](N)CCC[NH3+])C2)O1 ZINC001159451583 843883180 /nfs/dbraw/zinc/88/31/80/843883180.db2.gz ZQBYGTFKVIALPB-JKIFEVAISA-N 1 3 355.483 -0.136 20 0 FBADHO C[C@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001159490734 843882951 /nfs/dbraw/zinc/88/29/51/843882951.db2.gz YQOBPFCPALBJMS-GWCFXTLKSA-N 1 3 355.464 -0.643 20 0 FBADHO C[C@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001159490736 843882853 /nfs/dbraw/zinc/88/28/53/843882853.db2.gz YQOBPFCPALBJMS-GXFFZTMASA-N 1 3 355.464 -0.643 20 0 FBADHO C[C@@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001159490737 843882936 /nfs/dbraw/zinc/88/29/36/843882936.db2.gz YQOBPFCPALBJMS-MFKMUULPSA-N 1 3 355.464 -0.643 20 0 FBADHO C[C@@H](Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001159490740 843883045 /nfs/dbraw/zinc/88/30/45/843883045.db2.gz YQOBPFCPALBJMS-ZWNOBZJWSA-N 1 3 355.464 -0.643 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491275 843882664 /nfs/dbraw/zinc/88/26/64/843882664.db2.gz BOVNEZAVZUFOBN-LBPRGKRZSA-N 1 3 350.423 -0.819 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515648 843884298 /nfs/dbraw/zinc/88/42/98/843884298.db2.gz WDEQZPCMGZWVGK-LBPRGKRZSA-N 1 3 364.479 -0.726 20 0 FBADHO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159519362 843883858 /nfs/dbraw/zinc/88/38/58/843883858.db2.gz HYKRUIGFCOELQC-ZDUSSCGKSA-N 1 3 351.455 -0.555 20 0 FBADHO CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001159519626 843883676 /nfs/dbraw/zinc/88/36/76/843883676.db2.gz KHWSRUASWLNEBC-LBPRGKRZSA-N 1 3 369.495 -0.992 20 0 FBADHO CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001159544325 843884168 /nfs/dbraw/zinc/88/41/68/843884168.db2.gz NGRWLUKTHGKZOI-KEYYUXOJSA-N 1 3 372.535 -0.357 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598779 843884991 /nfs/dbraw/zinc/88/49/91/843884991.db2.gz DSDIVLMQGGMKSG-XJFOESAGSA-N 1 3 356.492 -0.852 20 0 FBADHO N[C@H](C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001159598958 843884951 /nfs/dbraw/zinc/88/49/51/843884951.db2.gz HVLYQZRJILNHBG-FPCVCCKLSA-N 1 3 350.463 -0.545 20 0 FBADHO N[C@@H](C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001159598959 843884637 /nfs/dbraw/zinc/88/46/37/843884637.db2.gz HVLYQZRJILNHBG-KLHDSHLOSA-N 1 3 350.463 -0.545 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623014 843884713 /nfs/dbraw/zinc/88/47/13/843884713.db2.gz AMRXSCDVTVJOAK-REWJHTLYSA-N 1 3 372.491 -0.682 20 0 FBADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001159635347 843886206 /nfs/dbraw/zinc/88/62/06/843886206.db2.gz LSEBTALIQNTYKJ-FVQBIDKESA-N 1 3 351.451 -0.525 20 0 FBADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001159635347 843886195 /nfs/dbraw/zinc/88/61/95/843886195.db2.gz LSEBTALIQNTYKJ-FVQBIDKESA-N 1 3 351.451 -0.525 20 0 FBADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001159635348 843886383 /nfs/dbraw/zinc/88/63/83/843886383.db2.gz LSEBTALIQNTYKJ-VNQPRFMTSA-N 1 3 351.451 -0.525 20 0 FBADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC001159635348 843886374 /nfs/dbraw/zinc/88/63/74/843886374.db2.gz LSEBTALIQNTYKJ-VNQPRFMTSA-N 1 3 351.451 -0.525 20 0 FBADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)CC[C@@H]2C1 ZINC001159635527 843886131 /nfs/dbraw/zinc/88/61/31/843886131.db2.gz OPAGJOXNHWBORU-CFJKZRSOSA-N 1 3 361.508 -0.722 20 0 FBADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)CC[C@@H]2C1 ZINC001159635527 843886122 /nfs/dbraw/zinc/88/61/22/843886122.db2.gz OPAGJOXNHWBORU-CFJKZRSOSA-N 1 3 361.508 -0.722 20 0 FBADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CC[S@@](C)=O)CC[C@@H]2C1 ZINC001159635528 843885806 /nfs/dbraw/zinc/88/58/06/843885806.db2.gz OPAGJOXNHWBORU-XILIYIEPSA-N 1 3 361.508 -0.722 20 0 FBADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CC[S@@](C)=O)CC[C@@H]2C1 ZINC001159635528 843885801 /nfs/dbraw/zinc/88/58/01/843885801.db2.gz OPAGJOXNHWBORU-XILIYIEPSA-N 1 3 361.508 -0.722 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159641726 843886102 /nfs/dbraw/zinc/88/61/02/843886102.db2.gz BRVMTYOVTPJSBC-AWEZNQCLSA-N 1 3 363.491 -0.468 20 0 FBADHO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]32)C1=O ZINC001159688861 843887042 /nfs/dbraw/zinc/88/70/42/843887042.db2.gz XHHPXCOUBOSEGS-XJIUQZFPSA-N 1 3 367.519 -0.107 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159747035 843887445 /nfs/dbraw/zinc/88/74/45/843887445.db2.gz MNAAJVFCWIPCKS-HDMKZQKVSA-N 1 3 352.479 -0.024 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159748066 843888313 /nfs/dbraw/zinc/88/83/13/843888313.db2.gz XNJMCRBUPNMFGO-JJRVBVJISA-N 1 3 370.519 -0.461 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159749626 843888355 /nfs/dbraw/zinc/88/83/55/843888355.db2.gz FANKYUDNDFOENR-RBSFLKMASA-N 1 3 350.394 -0.166 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159749627 843888083 /nfs/dbraw/zinc/88/80/83/843888083.db2.gz FANKYUDNDFOENR-RRFJBIMHSA-N 1 3 350.394 -0.166 20 0 FBADHO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H](N)CSCC[NH3+])C3)CC2=O)cn1 ZINC001159757886 843887585 /nfs/dbraw/zinc/88/75/85/843887585.db2.gz KYXRLAPQUICSCZ-BBRMVZONSA-N 1 3 366.491 -0.605 20 0 FBADHO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H](N)CSCC[NH3+])C3)CC2=O)cn1 ZINC001159757888 843887551 /nfs/dbraw/zinc/88/75/51/843887551.db2.gz KYXRLAPQUICSCZ-XJKSGUPXSA-N 1 3 366.491 -0.605 20 0 FBADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)CNCC[NH3+])C3)O2)CC1 ZINC001159758339 843887685 /nfs/dbraw/zinc/88/76/85/843887685.db2.gz NMHUPUXITMLFBJ-SJLPKXTDSA-N 1 3 353.511 -0.678 20 0 FBADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H](N)CC[NH3+])C3)O2)CC1 ZINC001159759096 843887456 /nfs/dbraw/zinc/88/74/56/843887456.db2.gz XGNKJLYSJRXRQG-SOLBZPMBSA-N 1 3 353.511 -0.550 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159765827 843887609 /nfs/dbraw/zinc/88/76/09/843887609.db2.gz MVHWFSJOKVPNHV-LVQVYYBASA-N 1 3 352.479 -0.310 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159765830 843888171 /nfs/dbraw/zinc/88/81/71/843888171.db2.gz MVHWFSJOKVPNHV-WCVJEAGWSA-N 1 3 352.479 -0.310 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159768716 843887931 /nfs/dbraw/zinc/88/79/31/843887931.db2.gz ADGWNGWLHPYNMG-DGAVXFQQSA-N 1 3 356.492 -0.710 20 0 FBADHO N[C@@H](C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)C1CC[NH2+]CC1 ZINC001159768840 843887910 /nfs/dbraw/zinc/88/79/10/843887910.db2.gz CRODPKBWMRSABY-LVQVYYBASA-N 1 3 350.463 -0.402 20 0 FBADHO N[C@H](C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)C1CC[NH2+]CC1 ZINC001159768842 843889211 /nfs/dbraw/zinc/88/92/11/843889211.db2.gz CRODPKBWMRSABY-WCVJEAGWSA-N 1 3 350.463 -0.402 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159810639 843889241 /nfs/dbraw/zinc/88/92/41/843889241.db2.gz ISSDAKVMJZQQRR-KBPBESRZSA-N 1 3 363.491 -0.243 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159810640 843889277 /nfs/dbraw/zinc/88/92/77/843889277.db2.gz ISSDAKVMJZQQRR-KGLIPLIRSA-N 1 3 363.491 -0.243 20 0 FBADHO COCCN1CCO[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]2C1=O ZINC001159917933 843892034 /nfs/dbraw/zinc/89/20/34/843892034.db2.gz MWBQTWGEPOTVJE-ILXRZTDVSA-N 1 3 356.467 -0.835 20 0 FBADHO CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001159929249 843891964 /nfs/dbraw/zinc/89/19/64/843891964.db2.gz HDJFKEMBEWHWPR-ZDUSSCGKSA-N 1 3 351.455 -0.684 20 0 FBADHO CC(C)C[C@H](NC(=O)CN)C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159929529 843891857 /nfs/dbraw/zinc/89/18/57/843891857.db2.gz GKNMSGQAQZZGKH-HRCADAONSA-N 1 3 353.511 -0.287 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159937589 843891757 /nfs/dbraw/zinc/89/17/57/843891757.db2.gz AFYWUNGBFYLXDY-DMRZNYOFSA-N 1 3 352.479 -0.025 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159937593 843891502 /nfs/dbraw/zinc/89/15/02/843891502.db2.gz AFYWUNGBFYLXDY-DTZQCDIJSA-N 1 3 352.479 -0.025 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159981470 843892812 /nfs/dbraw/zinc/89/28/12/843892812.db2.gz ZJPJHJVKFWVRFA-ZDUSSCGKSA-N 1 3 363.491 -0.121 20 0 FBADHO Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@H](N)CCC[NH3+])C[C@H]21 ZINC001159987196 843892751 /nfs/dbraw/zinc/89/27/51/843892751.db2.gz FKWSRDSFVMYHRD-OAGGEKHMSA-N 1 3 351.451 -0.231 20 0 FBADHO Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]21 ZINC001159987197 843892688 /nfs/dbraw/zinc/89/26/88/843892688.db2.gz FKWSRDSFVMYHRD-XHSDSOJGSA-N 1 3 351.451 -0.231 20 0 FBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)[C@H]2C1 ZINC001159998184 843892404 /nfs/dbraw/zinc/89/24/04/843892404.db2.gz FELDAWGIWRZPBB-ILXRZTDVSA-N 1 3 370.519 -0.257 20 0 FBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)[C@H]2C1 ZINC001159998184 843892397 /nfs/dbraw/zinc/89/23/97/843892397.db2.gz FELDAWGIWRZPBB-ILXRZTDVSA-N 1 3 370.519 -0.257 20 0 FBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)[C@H]2C1 ZINC001159998186 843892637 /nfs/dbraw/zinc/89/26/37/843892637.db2.gz FELDAWGIWRZPBB-KFWWJZLASA-N 1 3 370.519 -0.257 20 0 FBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)[C@H]2C1 ZINC001159998186 843892627 /nfs/dbraw/zinc/89/26/27/843892627.db2.gz FELDAWGIWRZPBB-KFWWJZLASA-N 1 3 370.519 -0.257 20 0 FBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001159999349 843892346 /nfs/dbraw/zinc/89/23/46/843892346.db2.gz PRPARYNKBUQGGJ-ILXRZTDVSA-N 1 3 360.524 -0.072 20 0 FBADHO CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)[C@H]2C1 ZINC001159999999 843893424 /nfs/dbraw/zinc/89/34/24/843893424.db2.gz WOCIRXCARCLQNT-HGTKMLMNSA-N 1 3 356.492 -0.932 20 0 FBADHO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]2C1 ZINC001160007595 843893364 /nfs/dbraw/zinc/89/33/64/843893364.db2.gz MNOMUUCZYTVKRB-RDBSUJKOSA-N 1 3 361.512 -0.971 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160017543 843893022 /nfs/dbraw/zinc/89/30/22/843893022.db2.gz VYKWDTVJDCWSOL-IMIFBBOLSA-N 1 3 367.475 -0.303 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001160017544 843893845 /nfs/dbraw/zinc/89/38/45/843893845.db2.gz VYKWDTVJDCWSOL-XWUBHJNHSA-N 1 3 367.475 -0.303 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160027072 843894225 /nfs/dbraw/zinc/89/42/25/843894225.db2.gz LOANCCZEJLTIKN-YJNKXOJESA-N 1 3 370.519 -0.224 20 0 FBADHO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)C1 ZINC001160041693 843893894 /nfs/dbraw/zinc/89/38/94/843893894.db2.gz NHAQFDMNDMHWGB-JKIFEVAISA-N 1 3 355.483 -0.136 20 0 FBADHO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)[C@@H](N)CSCC[NH3+])C2)C1 ZINC001160049179 843894210 /nfs/dbraw/zinc/89/42/10/843894210.db2.gz ABPDXZWUJZNSQV-DVOMOZLQSA-N 1 3 373.523 -0.573 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001160119266 843895084 /nfs/dbraw/zinc/89/50/84/843895084.db2.gz DZINRQHDXVVHJL-RWMBFGLXSA-N 1 3 352.460 -0.028 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129648 843894925 /nfs/dbraw/zinc/89/49/25/843894925.db2.gz ZKFDYEMJTNWHPU-LBPRGKRZSA-N 1 3 350.448 -0.177 20 0 FBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CCO2 ZINC001160178239 843895939 /nfs/dbraw/zinc/89/59/39/843895939.db2.gz GTUDQEKQWKSEJN-BPQIPLTHSA-N 1 3 350.463 -0.575 20 0 FBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CCO2 ZINC001160178240 843896361 /nfs/dbraw/zinc/89/63/61/843896361.db2.gz GTUDQEKQWKSEJN-KBAYOESNSA-N 1 3 350.463 -0.575 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192570 843896585 /nfs/dbraw/zinc/89/65/85/843896585.db2.gz CAQDGPHVKBSWBB-LBPRGKRZSA-N 1 3 364.479 -0.726 20 0 FBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)[C@@H]2C1 ZINC001160295605 843898211 /nfs/dbraw/zinc/89/82/11/843898211.db2.gz OZKXXHJURGYWCI-BYNSBNAKSA-N 1 3 350.463 -0.674 20 0 FBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)[C@@H]2C1 ZINC001160295606 843898380 /nfs/dbraw/zinc/89/83/80/843898380.db2.gz OZKXXHJURGYWCI-GBJTYRQASA-N 1 3 350.463 -0.674 20 0 FBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]2C1 ZINC001160295795 843897698 /nfs/dbraw/zinc/89/76/98/843897698.db2.gz RELVSZSACUQYOZ-IGQOVBAYSA-N 1 3 358.508 -0.464 20 0 FBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)[C@@H]2C1 ZINC001160295879 843898242 /nfs/dbraw/zinc/89/82/42/843898242.db2.gz UCEMWCIANBTXOC-JJXSEGSLSA-N 1 3 352.479 -0.156 20 0 FBADHO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H](N)C3CC[NH2+]CC3)[C@@H]2C1 ZINC001160295880 843899232 /nfs/dbraw/zinc/89/92/32/843899232.db2.gz UCEMWCIANBTXOC-ZJIFWQFVSA-N 1 3 352.479 -0.156 20 0 FBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H](N)CSCC[NH3+])CCC2 ZINC001160324830 843898639 /nfs/dbraw/zinc/89/86/39/843898639.db2.gz ZCIREWBYUAQTND-LBPRGKRZSA-N 1 3 354.480 -0.729 20 0 FBADHO COCCO[C@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001160326198 843898809 /nfs/dbraw/zinc/89/88/09/843898809.db2.gz PFRKHXFOVANHGF-JYJNAYRXSA-N 1 3 353.467 -0.339 20 0 FBADHO COCCO[C@H]1CCN(C(=O)[C@H](N)CCC[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001160326205 843898680 /nfs/dbraw/zinc/89/86/80/843898680.db2.gz PFRKHXFOVANHGF-PMPSAXMXSA-N 1 3 353.467 -0.339 20 0 FBADHO CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160381415 843900146 /nfs/dbraw/zinc/90/01/46/843900146.db2.gz UIUAOXLPPFHIOC-ZDUSSCGKSA-N 1 3 369.539 -0.130 20 0 FBADHO CC(=O)OC[C@H](N)C(=O)N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001160388333 843900244 /nfs/dbraw/zinc/90/02/44/843900244.db2.gz JVYYCNYUAHKZRR-AWEZNQCLSA-N 1 3 354.451 -0.578 20 0 FBADHO CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160392263 843900827 /nfs/dbraw/zinc/90/08/27/843900827.db2.gz VXIWLDHXMQSCHY-AWEZNQCLSA-N 1 3 371.551 -0.449 20 0 FBADHO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160417547 843900814 /nfs/dbraw/zinc/90/08/14/843900814.db2.gz FCNCLDHGYHTULH-PBHICJAKSA-N 1 3 356.467 -0.835 20 0 FBADHO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001160417555 843900648 /nfs/dbraw/zinc/90/06/48/843900648.db2.gz FCNCLDHGYHTULH-RHSMWYFYSA-N 1 3 356.467 -0.835 20 0 FBADHO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160417556 843900545 /nfs/dbraw/zinc/90/05/45/843900545.db2.gz FCNCLDHGYHTULH-WMLDXEAASA-N 1 3 356.467 -0.835 20 0 FBADHO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001160417557 843900572 /nfs/dbraw/zinc/90/05/72/843900572.db2.gz FCNCLDHGYHTULH-YOEHRIQHSA-N 1 3 356.467 -0.835 20 0 FBADHO CCOC(=O)C1=C(O)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160427255 843900954 /nfs/dbraw/zinc/90/09/54/843900954.db2.gz LKIWEQDJXWJYHG-KBPBESRZSA-N 1 3 354.451 -0.892 20 0 FBADHO CCOC(=O)C1=C(O)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160427256 843900522 /nfs/dbraw/zinc/90/05/22/843900522.db2.gz LKIWEQDJXWJYHG-KGLIPLIRSA-N 1 3 354.451 -0.892 20 0 FBADHO CCOC(=O)C1=C(O)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160427257 843900869 /nfs/dbraw/zinc/90/08/69/843900869.db2.gz LKIWEQDJXWJYHG-UONOGXRCSA-N 1 3 354.451 -0.892 20 0 FBADHO CCOC(=O)C1=C(O)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160427258 843900717 /nfs/dbraw/zinc/90/07/17/843900717.db2.gz LKIWEQDJXWJYHG-ZIAGYGMSSA-N 1 3 354.451 -0.892 20 0 FBADHO COc1cc(OC)nc(CN2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)n1 ZINC001160427605 843900742 /nfs/dbraw/zinc/90/07/42/843900742.db2.gz BHEAFKTUBAMIKB-GFCCVEGCSA-N 1 3 352.439 -0.796 20 0 FBADHO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)n1 ZINC001160427606 843900847 /nfs/dbraw/zinc/90/08/47/843900847.db2.gz BHEAFKTUBAMIKB-LBPRGKRZSA-N 1 3 352.439 -0.796 20 0 FBADHO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)cc1 ZINC001160436108 843901410 /nfs/dbraw/zinc/90/14/10/843901410.db2.gz HFZYVZUJGSMEFG-HNNXBMFYSA-N 1 3 354.476 -0.106 20 0 FBADHO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)cc1 ZINC001160436120 843901679 /nfs/dbraw/zinc/90/16/79/843901679.db2.gz HFZYVZUJGSMEFG-OAHLLOKOSA-N 1 3 354.476 -0.106 20 0 FBADHO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001160439338 843901800 /nfs/dbraw/zinc/90/18/00/843901800.db2.gz KHEZVTIDNCIRAV-KBPBESRZSA-N 1 3 356.467 -0.238 20 0 FBADHO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001160439464 843901764 /nfs/dbraw/zinc/90/17/64/843901764.db2.gz KHEZVTIDNCIRAV-UONOGXRCSA-N 1 3 356.467 -0.238 20 0 FBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160463213 843902847 /nfs/dbraw/zinc/90/28/47/843902847.db2.gz HKEMGVIWJYVIAY-IHRRRGAJSA-N 1 3 353.467 -0.829 20 0 FBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160463214 843902324 /nfs/dbraw/zinc/90/23/24/843902324.db2.gz HKEMGVIWJYVIAY-MJBXVCDLSA-N 1 3 353.467 -0.829 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(C1)OCCO2 ZINC001160470853 843902207 /nfs/dbraw/zinc/90/22/07/843902207.db2.gz JAOWANHWHNQHTD-KBPBESRZSA-N 1 3 354.451 -0.591 20 0 FBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160483610 843902837 /nfs/dbraw/zinc/90/28/37/843902837.db2.gz KYHZAGSNPPBHPN-INIZCTEOSA-N 1 3 353.511 -0.188 20 0 FBADHO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160484913 843902518 /nfs/dbraw/zinc/90/25/18/843902518.db2.gz JOZYSRNSICHUQC-HNNXBMFYSA-N 1 3 351.495 -0.471 20 0 FBADHO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160484913 843902512 /nfs/dbraw/zinc/90/25/12/843902512.db2.gz JOZYSRNSICHUQC-HNNXBMFYSA-N 1 3 351.495 -0.471 20 0 FBADHO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160484914 843902610 /nfs/dbraw/zinc/90/26/10/843902610.db2.gz JOZYSRNSICHUQC-OAHLLOKOSA-N 1 3 351.495 -0.471 20 0 FBADHO CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160484914 843902608 /nfs/dbraw/zinc/90/26/08/843902608.db2.gz JOZYSRNSICHUQC-OAHLLOKOSA-N 1 3 351.495 -0.471 20 0 FBADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160491761 843903773 /nfs/dbraw/zinc/90/37/73/843903773.db2.gz BUBVVVYWIDEKEB-GMXVVIOVSA-N 1 3 371.459 -0.523 20 0 FBADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160491761 843903766 /nfs/dbraw/zinc/90/37/66/843903766.db2.gz BUBVVVYWIDEKEB-GMXVVIOVSA-N 1 3 371.459 -0.523 20 0 FBADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160491762 843903635 /nfs/dbraw/zinc/90/36/35/843903635.db2.gz BUBVVVYWIDEKEB-GVXVVHGQSA-N 1 3 371.459 -0.523 20 0 FBADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160491762 843903631 /nfs/dbraw/zinc/90/36/31/843903631.db2.gz BUBVVVYWIDEKEB-GVXVVHGQSA-N 1 3 371.459 -0.523 20 0 FBADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160491763 843903787 /nfs/dbraw/zinc/90/37/87/843903787.db2.gz BUBVVVYWIDEKEB-MDZLAQPJSA-N 1 3 371.459 -0.523 20 0 FBADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160491763 843903780 /nfs/dbraw/zinc/90/37/80/843903780.db2.gz BUBVVVYWIDEKEB-MDZLAQPJSA-N 1 3 371.459 -0.523 20 0 FBADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160491764 843903354 /nfs/dbraw/zinc/90/33/54/843903354.db2.gz BUBVVVYWIDEKEB-NTZNESFSSA-N 1 3 371.459 -0.523 20 0 FBADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160491764 843903348 /nfs/dbraw/zinc/90/33/48/843903348.db2.gz BUBVVVYWIDEKEB-NTZNESFSSA-N 1 3 371.459 -0.523 20 0 FBADHO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160492975 843903510 /nfs/dbraw/zinc/90/35/10/843903510.db2.gz KTTBRWKHPUDNHF-DMDPSCGWSA-N 1 3 361.464 -0.338 20 0 FBADHO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160492976 843903593 /nfs/dbraw/zinc/90/35/93/843903593.db2.gz KTTBRWKHPUDNHF-GMXVVIOVSA-N 1 3 361.464 -0.338 20 0 FBADHO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160492977 843903623 /nfs/dbraw/zinc/90/36/23/843903623.db2.gz KTTBRWKHPUDNHF-GVXVVHGQSA-N 1 3 361.464 -0.338 20 0 FBADHO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160492978 843903579 /nfs/dbraw/zinc/90/35/79/843903579.db2.gz KTTBRWKHPUDNHF-LOWVWBTDSA-N 1 3 361.464 -0.338 20 0 FBADHO O=C([C@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)N1CCOCC1 ZINC001160506892 843903547 /nfs/dbraw/zinc/90/35/47/843903547.db2.gz QPCMROIFIYGJOD-IIDMSEBBSA-N 1 3 350.463 -0.575 20 0 FBADHO O=C([C@@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)N1CCOCC1 ZINC001160506893 843903692 /nfs/dbraw/zinc/90/36/92/843903692.db2.gz QPCMROIFIYGJOD-RVKKMQEKSA-N 1 3 350.463 -0.575 20 0 FBADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160585636 843904024 /nfs/dbraw/zinc/90/40/24/843904024.db2.gz MOZKYQXGDAJDRC-HNNXBMFYSA-N 1 3 372.535 -0.561 20 0 FBADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160585636 843904017 /nfs/dbraw/zinc/90/40/17/843904017.db2.gz MOZKYQXGDAJDRC-HNNXBMFYSA-N 1 3 372.535 -0.561 20 0 FBADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160585637 843904206 /nfs/dbraw/zinc/90/42/06/843904206.db2.gz MOZKYQXGDAJDRC-OAHLLOKOSA-N 1 3 372.535 -0.561 20 0 FBADHO CS(=O)(=O)CCCN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160585637 843904200 /nfs/dbraw/zinc/90/42/00/843904200.db2.gz MOZKYQXGDAJDRC-OAHLLOKOSA-N 1 3 372.535 -0.561 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656554 843906963 /nfs/dbraw/zinc/90/69/63/843906963.db2.gz YQZUFZDXIQANJA-VJTDZRGJSA-N 1 3 360.524 -0.482 20 0 FBADHO CC1(N2CCOCC2)CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160673414 843906869 /nfs/dbraw/zinc/90/68/69/843906869.db2.gz NZOODRYBWODRQH-INIZCTEOSA-N 1 3 353.511 -0.550 20 0 FBADHO CC1(N2CCOCC2)CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160673416 843906945 /nfs/dbraw/zinc/90/69/45/843906945.db2.gz NZOODRYBWODRQH-MRXNPFEDSA-N 1 3 353.511 -0.550 20 0 FBADHO CN(CCC1OCCO1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160684679 843906622 /nfs/dbraw/zinc/90/66/22/843906622.db2.gz YPUNBEMMMXPSCM-KBPBESRZSA-N 1 3 356.467 -0.345 20 0 FBADHO O=C(COC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1)NC1CC1 ZINC001160743684 843907280 /nfs/dbraw/zinc/90/72/80/843907280.db2.gz YOQDTYSDJCQXHO-FZKQIMNGSA-N 1 3 350.463 -0.528 20 0 FBADHO C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])C[C@H]12 ZINC001160757133 843908558 /nfs/dbraw/zinc/90/85/58/843908558.db2.gz ZGDJEUVSQSGAFZ-RBGFHDKUSA-N 1 3 352.479 -0.073 20 0 FBADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791810 843909203 /nfs/dbraw/zinc/90/92/03/843909203.db2.gz DDRVAKXWYKRZCF-CTPFVTRSSA-N 1 3 353.419 -0.876 20 0 FBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791811 843909172 /nfs/dbraw/zinc/90/91/72/843909172.db2.gz DDRVAKXWYKRZCF-UOSRWGBYSA-N 1 3 353.419 -0.876 20 0 FBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)C3CCOCC3)C[C@H]1C2 ZINC001160793560 843908862 /nfs/dbraw/zinc/90/88/62/843908862.db2.gz BHRHYAIZMQSYEW-JSEZXORMSA-N 1 3 351.447 -0.403 20 0 FBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3(O)CCN(C)CC3)C[C@H]1C2 ZINC001160794510 843909395 /nfs/dbraw/zinc/90/93/95/843909395.db2.gz PLMHRCHHXBGAKZ-OEUWWYETSA-N 1 3 351.447 -0.700 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805376 843909367 /nfs/dbraw/zinc/90/93/67/843909367.db2.gz BIEWJVZIEJKARZ-HNNXBMFYSA-N 1 3 364.519 -0.566 20 0 FBADHO CCOC(=O)[C@]12CN(C(=O)CCN3CCN(C)CC3)C[C@H]1C[NH2+]CC2 ZINC001160806011 843909243 /nfs/dbraw/zinc/90/92/43/843909243.db2.gz JUTUKJVJAIENDN-CRAIPNDOSA-N 1 3 352.479 -0.375 20 0 FBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001160806380 843909418 /nfs/dbraw/zinc/90/94/18/843909418.db2.gz OSOUBRDPPMPGES-NSHDSACASA-N 1 3 355.464 -0.536 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N(CCO)CC(F)(F)F ZINC001160909152 843912792 /nfs/dbraw/zinc/91/27/92/843912792.db2.gz ODVUCCLRZJGZNR-RYUDHWBXSA-N 1 3 368.400 -0.183 20 0 FBADHO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(c1ncccn1)C1CNC1 ZINC001160915903 843912526 /nfs/dbraw/zinc/91/25/26/843912526.db2.gz RDHVSYCILCBTIM-CYBMUJFWSA-N 1 3 365.459 -0.804 20 0 FBADHO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N(c1ncccn1)C1CNC1 ZINC001160915904 843912637 /nfs/dbraw/zinc/91/26/37/843912637.db2.gz RDHVSYCILCBTIM-ZDUSSCGKSA-N 1 3 365.459 -0.804 20 0 FBADHO C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160940778 843912581 /nfs/dbraw/zinc/91/25/81/843912581.db2.gz GFRCXKXTQKANIQ-IHRRRGAJSA-N 1 3 353.467 -0.877 20 0 FBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967740 843913413 /nfs/dbraw/zinc/91/34/13/843913413.db2.gz ORVZDBMPDNIVSD-MNOVXSKESA-N 1 3 356.377 -0.491 20 0 FBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967770 843913227 /nfs/dbraw/zinc/91/32/27/843913227.db2.gz ORVZDBMPDNIVSD-QWRGUYRKSA-N 1 3 356.377 -0.491 20 0 FBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001160992003 843913276 /nfs/dbraw/zinc/91/32/76/843913276.db2.gz HIJZOZLEIQPYCU-STQMWFEESA-N 1 3 353.467 -0.972 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)COC1(C)C ZINC001161006774 843914124 /nfs/dbraw/zinc/91/41/24/843914124.db2.gz FPHAVSYZMBPZND-AVGNSLFASA-N 1 3 354.451 -0.988 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)COC1(C)C ZINC001161006777 843914452 /nfs/dbraw/zinc/91/44/52/843914452.db2.gz FPHAVSYZMBPZND-RWMBFGLXSA-N 1 3 354.451 -0.988 20 0 FBADHO N[C@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CCC2(CC1)OCCO2 ZINC001161007232 843913881 /nfs/dbraw/zinc/91/38/81/843913881.db2.gz JBEZKSZZCCKSRV-CABCVRRESA-N 1 3 353.463 -0.038 20 0 FBADHO N[C@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CCC2(CC1)OCCO2 ZINC001161007233 843914166 /nfs/dbraw/zinc/91/41/66/843914166.db2.gz JBEZKSZZCCKSRV-GJZGRUSLSA-N 1 3 353.463 -0.038 20 0 FBADHO N[C@@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CCC2(CC1)OCCO2 ZINC001161007234 843914138 /nfs/dbraw/zinc/91/41/38/843914138.db2.gz JBEZKSZZCCKSRV-HUUCEWRRSA-N 1 3 353.463 -0.038 20 0 FBADHO N[C@@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CCC2(CC1)OCCO2 ZINC001161007235 843913899 /nfs/dbraw/zinc/91/38/99/843913899.db2.gz JBEZKSZZCCKSRV-LSDHHAIUSA-N 1 3 353.463 -0.038 20 0 FBADHO NC(=S)C1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001161031321 843915154 /nfs/dbraw/zinc/91/51/54/843915154.db2.gz AQASZRAGBVNJER-KBPBESRZSA-N 1 3 369.535 -0.042 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068921 843915792 /nfs/dbraw/zinc/91/57/92/843915792.db2.gz XZTDVVXWGNOWJF-OLZOCXBDSA-N 1 3 355.464 -0.583 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161068922 843915646 /nfs/dbraw/zinc/91/56/46/843915646.db2.gz XZTDVVXWGNOWJF-STQMWFEESA-N 1 3 355.464 -0.583 20 0 FBADHO C[C@@H](N)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118582 843916203 /nfs/dbraw/zinc/91/62/03/843916203.db2.gz HYNQOHPOPWJRGG-AGIUHOORSA-N 1 3 359.421 -0.924 20 0 FBADHO CCN(CCC(=O)OC)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161129050 843916291 /nfs/dbraw/zinc/91/62/91/843916291.db2.gz BAKDDTRTCQKWLR-KBPBESRZSA-N 1 3 356.467 -0.155 20 0 FBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)C1CCC2(CC1)OCCO2 ZINC001161157346 843917380 /nfs/dbraw/zinc/91/73/80/843917380.db2.gz BPCMDAAKZAJRGK-HNNXBMFYSA-N 1 3 357.451 -0.013 20 0 FBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](N)C1CCC2(CC1)OCCO2 ZINC001161157348 843917342 /nfs/dbraw/zinc/91/73/42/843917342.db2.gz BPCMDAAKZAJRGK-OAHLLOKOSA-N 1 3 357.451 -0.013 20 0 FBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001161158717 843917410 /nfs/dbraw/zinc/91/74/10/843917410.db2.gz NEEYQIFDBUZCGV-RYUDHWBXSA-N 1 3 358.439 -0.962 20 0 FBADHO CN(CCN(C)C(=O)CN(CC[NH3+])S(C)(=O)=O)Cc1ccccc1 ZINC001161160852 843917088 /nfs/dbraw/zinc/91/70/88/843917088.db2.gz HNEVPFIJWZLVMD-UHFFFAOYSA-N 1 3 356.492 -0.203 20 0 FBADHO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161170718 843917400 /nfs/dbraw/zinc/91/74/00/843917400.db2.gz LNAVKXPWADYIPD-XQQFMLRXSA-N 1 3 369.491 -0.015 20 0 FBADHO CC(C)(O)[C@H](N)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197039 843917181 /nfs/dbraw/zinc/91/71/81/843917181.db2.gz WRKFKNIMALYMHF-MRXNPFEDSA-N 1 3 356.511 -0.365 20 0 FBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221589 843917954 /nfs/dbraw/zinc/91/79/54/843917954.db2.gz OATPMRPPYNRLIC-ZUWCUPBKSA-N 1 3 374.576 -0.019 20 0 FBADHO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001161259974 843918706 /nfs/dbraw/zinc/91/87/06/843918706.db2.gz CQZHCYSXXCFFLO-AWEZNQCLSA-N 1 3 358.508 -0.209 20 0 FBADHO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001161259974 843918705 /nfs/dbraw/zinc/91/87/05/843918705.db2.gz CQZHCYSXXCFFLO-AWEZNQCLSA-N 1 3 358.508 -0.209 20 0 FBADHO CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001161259975 843918985 /nfs/dbraw/zinc/91/89/85/843918985.db2.gz CQZHCYSXXCFFLO-CQSZACIVSA-N 1 3 358.508 -0.209 20 0 FBADHO CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001161259975 843918981 /nfs/dbraw/zinc/91/89/81/843918981.db2.gz CQZHCYSXXCFFLO-CQSZACIVSA-N 1 3 358.508 -0.209 20 0 FBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161262050 843918834 /nfs/dbraw/zinc/91/88/34/843918834.db2.gz QOUUKHWQELNTSX-AAEUAGOBSA-N 1 3 355.483 -0.680 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269399 843918828 /nfs/dbraw/zinc/91/88/28/843918828.db2.gz BEJVPOMJLAARHX-ZDUSSCGKSA-N 1 3 359.496 -0.962 20 0 FBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269714 843918848 /nfs/dbraw/zinc/91/88/48/843918848.db2.gz KFEQCWLSIVRISJ-AWEZNQCLSA-N 1 3 356.492 -0.788 20 0 FBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269715 843918804 /nfs/dbraw/zinc/91/88/04/843918804.db2.gz KFEQCWLSIVRISJ-CQSZACIVSA-N 1 3 356.492 -0.788 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269796 843918964 /nfs/dbraw/zinc/91/89/64/843918964.db2.gz MJEMQCMEUUXWQX-ZDUSSCGKSA-N 1 3 364.537 -0.578 20 0 FBADHO N[C@H](C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC001161270024 843918747 /nfs/dbraw/zinc/91/87/47/843918747.db2.gz PMBGZWASQOUMMN-HNNXBMFYSA-N 1 3 353.467 -0.654 20 0 FBADHO N[C@@H](C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC001161270026 843918605 /nfs/dbraw/zinc/91/86/05/843918605.db2.gz PMBGZWASQOUMMN-OAHLLOKOSA-N 1 3 353.467 -0.654 20 0 FBADHO N[C@H](C(=O)N1CCC(N2CCCCS2(=O)=O)CC1)C1CC[NH2+]CC1 ZINC001161270105 843919049 /nfs/dbraw/zinc/91/90/49/843919049.db2.gz QTDLZGMUYGPHRF-HNNXBMFYSA-N 1 3 358.508 -0.270 20 0 FBADHO N[C@@H](C(=O)N1CCC(N2CCCCS2(=O)=O)CC1)C1CC[NH2+]CC1 ZINC001161270106 843918940 /nfs/dbraw/zinc/91/89/40/843918940.db2.gz QTDLZGMUYGPHRF-OAHLLOKOSA-N 1 3 358.508 -0.270 20 0 FBADHO O=C(N1CCC(N2CCCCS2(=O)=O)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161270855 843919689 /nfs/dbraw/zinc/91/96/89/843919689.db2.gz XGCFSWBWISXUJR-RHSMWYFYSA-N 1 3 370.519 -0.398 20 0 FBADHO COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCN1C(C)=O ZINC001161296047 843920260 /nfs/dbraw/zinc/92/02/60/843920260.db2.gz OIHAYBGYDFAXRJ-GJZGRUSLSA-N 1 3 356.467 -0.286 20 0 FBADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCN1C(C)=O ZINC001161296049 843920459 /nfs/dbraw/zinc/92/04/59/843920459.db2.gz OIHAYBGYDFAXRJ-LSDHHAIUSA-N 1 3 356.467 -0.286 20 0 FBADHO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCN1C(C)=O ZINC001161297674 843920375 /nfs/dbraw/zinc/92/03/75/843920375.db2.gz YWKKDYUXNGDLSX-KBPBESRZSA-N 1 3 352.435 -0.907 20 0 FBADHO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCN1C(C)=O ZINC001161297674 843920372 /nfs/dbraw/zinc/92/03/72/843920372.db2.gz YWKKDYUXNGDLSX-KBPBESRZSA-N 1 3 352.435 -0.907 20 0 FBADHO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCN1C(C)=O ZINC001161297675 843920163 /nfs/dbraw/zinc/92/01/63/843920163.db2.gz YWKKDYUXNGDLSX-KGLIPLIRSA-N 1 3 352.435 -0.907 20 0 FBADHO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCN1C(C)=O ZINC001161297675 843920157 /nfs/dbraw/zinc/92/01/57/843920157.db2.gz YWKKDYUXNGDLSX-KGLIPLIRSA-N 1 3 352.435 -0.907 20 0 FBADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCN1C(C)=O ZINC001161297676 843920421 /nfs/dbraw/zinc/92/04/21/843920421.db2.gz YWKKDYUXNGDLSX-UONOGXRCSA-N 1 3 352.435 -0.907 20 0 FBADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCN1C(C)=O ZINC001161297676 843920416 /nfs/dbraw/zinc/92/04/16/843920416.db2.gz YWKKDYUXNGDLSX-UONOGXRCSA-N 1 3 352.435 -0.907 20 0 FBADHO COC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCN1C(C)=O ZINC001161297677 843920562 /nfs/dbraw/zinc/92/05/62/843920562.db2.gz YWKKDYUXNGDLSX-ZIAGYGMSSA-N 1 3 352.435 -0.907 20 0 FBADHO COC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCN1C(C)=O ZINC001161297677 843920559 /nfs/dbraw/zinc/92/05/59/843920559.db2.gz YWKKDYUXNGDLSX-ZIAGYGMSSA-N 1 3 352.435 -0.907 20 0 FBADHO COc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)cc1 ZINC001161304135 843920325 /nfs/dbraw/zinc/92/03/25/843920325.db2.gz VOBCTBYNYADZKJ-HNNXBMFYSA-N 1 3 366.487 -0.001 20 0 FBADHO [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2COC3(CNC3)CN2)C2CCOCC2)CC1 ZINC001161317649 843921239 /nfs/dbraw/zinc/92/12/39/843921239.db2.gz RJAFBIZIQGVVCO-DZKIICNBSA-N 1 3 352.479 -0.406 20 0 FBADHO [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2COC3(CNC3)CN2)C2CCOCC2)CC1 ZINC001161317653 843920945 /nfs/dbraw/zinc/92/09/45/843920945.db2.gz RJAFBIZIQGVVCO-IIAWOOMASA-N 1 3 352.479 -0.406 20 0 FBADHO COc1ccnc(OC2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)n1 ZINC001161371376 843921783 /nfs/dbraw/zinc/92/17/83/843921783.db2.gz ZNGBDQSJWSWEDH-LBPRGKRZSA-N 1 3 355.464 -0.126 20 0 FBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161379450 843921700 /nfs/dbraw/zinc/92/17/00/843921700.db2.gz PZDRLNWZTQDZDK-BPUTZDHNSA-N 1 3 353.511 -0.112 20 0 FBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161379451 843921664 /nfs/dbraw/zinc/92/16/64/843921664.db2.gz PZDRLNWZTQDZDK-IMJJTQAJSA-N 1 3 353.511 -0.112 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476436 843923519 /nfs/dbraw/zinc/92/35/19/843923519.db2.gz ATFRQOJRHXSRIU-GMIGKAJZSA-N 1 3 354.451 -0.770 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476437 843923333 /nfs/dbraw/zinc/92/33/33/843923333.db2.gz ATFRQOJRHXSRIU-GWIFVGGISA-N 1 3 354.451 -0.770 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476438 843923252 /nfs/dbraw/zinc/92/32/52/843923252.db2.gz ATFRQOJRHXSRIU-IFOZYUSPSA-N 1 3 354.451 -0.770 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476439 843923489 /nfs/dbraw/zinc/92/34/89/843923489.db2.gz ATFRQOJRHXSRIU-MYLCLEHYSA-N 1 3 354.451 -0.770 20 0 FBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCCNC(C)=O)CC2 ZINC001161478154 843923529 /nfs/dbraw/zinc/92/35/29/843923529.db2.gz HFGLFBKUCJHAIR-GRDNDAEWSA-N 1 3 354.451 -0.626 20 0 FBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCCNC(C)=O)CC2 ZINC001161478155 843923350 /nfs/dbraw/zinc/92/33/50/843923350.db2.gz HFGLFBKUCJHAIR-JJRVBVJISA-N 1 3 354.451 -0.626 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CCCCNC(C)=O)CC2 ZINC001161478157 843923462 /nfs/dbraw/zinc/92/34/62/843923462.db2.gz HFGLFBKUCJHAIR-VBQJREDUSA-N 1 3 354.451 -0.626 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CCCCNC(C)=O)CC2 ZINC001161478158 843923200 /nfs/dbraw/zinc/92/32/00/843923200.db2.gz HFGLFBKUCJHAIR-ZQIUZPCESA-N 1 3 354.451 -0.626 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@]3(C1)CNCCO3)CC2 ZINC001161479892 843923222 /nfs/dbraw/zinc/92/32/22/843923222.db2.gz QOVAJGQJTSQFMD-DACLVMHWSA-N 1 3 351.447 -0.101 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[C@@]3(C1)CNCCO3)CC2 ZINC001161479893 843923326 /nfs/dbraw/zinc/92/33/26/843923326.db2.gz QOVAJGQJTSQFMD-DTDBQYNISA-N 1 3 351.447 -0.101 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@@]3(C1)CNCCO3)CC2 ZINC001161479894 843923365 /nfs/dbraw/zinc/92/33/65/843923365.db2.gz QOVAJGQJTSQFMD-JFTQMJAMSA-N 1 3 351.447 -0.101 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CC[C@]3(C1)CNCCO3)CC2 ZINC001161479895 843923357 /nfs/dbraw/zinc/92/33/57/843923357.db2.gz QOVAJGQJTSQFMD-KNCCTNLNSA-N 1 3 351.447 -0.101 20 0 FBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CC2 ZINC001161480369 843924272 /nfs/dbraw/zinc/92/42/72/843924272.db2.gz PCAWMHFQEKBHTA-APNQJHFZSA-N 1 3 352.435 -0.922 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CC2 ZINC001161480370 843923791 /nfs/dbraw/zinc/92/37/91/843923791.db2.gz PCAWMHFQEKBHTA-JRATXPSKSA-N 1 3 352.435 -0.922 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](N)CC(C)C)CC2 ZINC001161480590 843923845 /nfs/dbraw/zinc/92/38/45/843923845.db2.gz VHTXEIJUIKCXCV-AHIWAGSCSA-N 1 3 354.451 -0.770 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H](N)CC(C)C)CC2 ZINC001161480591 843923853 /nfs/dbraw/zinc/92/38/53/843923853.db2.gz VHTXEIJUIKCXCV-DCGLDWPTSA-N 1 3 354.451 -0.770 20 0 FBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CC2 ZINC001161480592 843924072 /nfs/dbraw/zinc/92/40/72/843924072.db2.gz PCAWMHFQEKBHTA-MRHIQRDNSA-N 1 3 352.435 -0.922 20 0 FBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CC2 ZINC001161480593 843924349 /nfs/dbraw/zinc/92/43/49/843924349.db2.gz PCAWMHFQEKBHTA-NEULZYRMSA-N 1 3 352.435 -0.922 20 0 FBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNC(=O)[C@@H](N)CC(C)C)CC2 ZINC001161480780 843924084 /nfs/dbraw/zinc/92/40/84/843924084.db2.gz VHTXEIJUIKCXCV-GDZNZVCISA-N 1 3 354.451 -0.770 20 0 FBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@@H](N)CC(C)C)CC2 ZINC001161480782 843924205 /nfs/dbraw/zinc/92/42/05/843924205.db2.gz VHTXEIJUIKCXCV-OGHNNQOOSA-N 1 3 354.451 -0.770 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001161494323 843924117 /nfs/dbraw/zinc/92/41/17/843924117.db2.gz ZRWPZAWCJDNNQC-YHQUGGNUSA-N 1 3 360.524 -0.218 20 0 FBADHO C[N@@H+](C1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C1)[C@H]1CCOC1 ZINC001161501004 843924244 /nfs/dbraw/zinc/92/42/44/843924244.db2.gz WPCJBCVJWOUGIQ-JSGCOSHPSA-N 1 3 356.467 -0.824 20 0 FBADHO C[N@H+](C1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C1)[C@H]1CCOC1 ZINC001161501004 843924239 /nfs/dbraw/zinc/92/42/39/843924239.db2.gz WPCJBCVJWOUGIQ-JSGCOSHPSA-N 1 3 356.467 -0.824 20 0 FBADHO CN(C1CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C1)[C@H]1CCOC1 ZINC001161501004 843924236 /nfs/dbraw/zinc/92/42/36/843924236.db2.gz WPCJBCVJWOUGIQ-JSGCOSHPSA-N 1 3 356.467 -0.824 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510344 843924785 /nfs/dbraw/zinc/92/47/85/843924785.db2.gz NQAFUMWOGHNPMA-FQUUOJAGSA-N 1 3 372.535 -0.216 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510345 843924864 /nfs/dbraw/zinc/92/48/64/843924864.db2.gz NQAFUMWOGHNPMA-XUXIUFHCSA-N 1 3 372.535 -0.216 20 0 FBADHO C[NH+]1CC2(CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)COC(C)(C)C)C2)C1 ZINC001161532295 843925080 /nfs/dbraw/zinc/92/50/80/843925080.db2.gz QCLOZMMBBKXHIF-KBPBESRZSA-N 1 3 352.479 -0.106 20 0 FBADHO COCCOC1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161572222 843925607 /nfs/dbraw/zinc/92/56/07/843925607.db2.gz GIOBPVKRPVMHIY-GJZGRUSLSA-N 1 3 356.467 -0.693 20 0 FBADHO CC1(C)CNC[C@H](CNc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)O1 ZINC001161950971 843928551 /nfs/dbraw/zinc/92/85/51/843928551.db2.gz RSNJVRNSGRRWRL-LLVKDONJSA-N 1 3 369.491 -0.253 20 0 FBADHO CS(=O)(=O)N1CCN(c2cccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)n2)CC1 ZINC001163193155 843942081 /nfs/dbraw/zinc/94/20/81/843942081.db2.gz MSRNBHNHKNXJKV-CZUORRHYSA-N 1 3 367.475 -0.294 20 0 FBADHO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N(C)S(=O)(=O)CCN ZINC001164287772 843947659 /nfs/dbraw/zinc/94/76/59/843947659.db2.gz VWCKAGGARFYIOQ-OLZOCXBDSA-N 1 3 356.448 -0.409 20 0 FBADHO CN(c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1)S(=O)(=O)CCN ZINC001164297209 843947506 /nfs/dbraw/zinc/94/75/06/843947506.db2.gz XRNCTQQMMXQUHX-UHFFFAOYSA-N 1 3 361.489 -0.063 20 0 FBADHO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc3c(n1)CCNC3)CC2 ZINC001164750688 720948938 /nfs/dbraw/zinc/94/89/38/720948938.db2.gz MNOMBZNITHLOSY-UHFFFAOYSA-N 1 3 371.445 -0.036 20 0 FBADHO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc3c(nn1)CCNC3)CC2 ZINC001164752410 720960033 /nfs/dbraw/zinc/96/00/33/720960033.db2.gz XSXLLIUZFHFMQY-UHFFFAOYSA-N 1 3 371.445 -0.036 20 0 FBADHO CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4NCCO[C@H]4C3)n1)CC[NH2+]CC2 ZINC001165269257 843950653 /nfs/dbraw/zinc/95/06/53/843950653.db2.gz HRDGSJGLQHCXOU-KBPBESRZSA-N 1 3 367.475 -0.865 20 0 FBADHO CS(=O)(=O)N(Cc1noc2c1CNCC2)c1ncnc2c1CC[NH2+]C2 ZINC001165500188 843952949 /nfs/dbraw/zinc/95/29/49/843952949.db2.gz IAHNHTQQHMSIRK-UHFFFAOYSA-N 1 3 364.431 -0.278 20 0 FBADHO COC(=O)CNS(=O)(=O)c1ccc(NC(=N)NCCCC[NH3+])nc1 ZINC001167880189 836095162 /nfs/dbraw/zinc/09/51/62/836095162.db2.gz BHIRFBHEEXTRBQ-UHFFFAOYSA-N 1 3 358.424 -0.792 20 0 FBADHO CN1CCN(S(=O)(=O)c2ccc(NC(=N)NCCCC[NH3+])nc2)CC1 ZINC001167880450 836095372 /nfs/dbraw/zinc/09/53/72/836095372.db2.gz OERCDAOAJCEWEN-UHFFFAOYSA-N 1 3 369.495 -0.307 20 0 FBADHO C[C@H](Nc1cccc(N2CCN(S(C)(=O)=O)CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001170568495 839690705 /nfs/dbraw/zinc/69/07/05/839690705.db2.gz IKXISVHKFQOLKR-KBPBESRZSA-N 1 3 369.491 -0.048 20 0 FBADHO C[C@@H](Nc1cccc(N2CCN(S(C)(=O)=O)CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001170568496 839691011 /nfs/dbraw/zinc/69/10/11/839691011.db2.gz IKXISVHKFQOLKR-KGLIPLIRSA-N 1 3 369.491 -0.048 20 0 FBADHO C[C@H](Nc1cccc(N2CCN(S(C)(=O)=O)CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001170568497 839690473 /nfs/dbraw/zinc/69/04/73/839690473.db2.gz IKXISVHKFQOLKR-UONOGXRCSA-N 1 3 369.491 -0.048 20 0 FBADHO C[C@@H](Nc1cccc(N2CCN(S(C)(=O)=O)CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001170568498 839691067 /nfs/dbraw/zinc/69/10/67/839691067.db2.gz IKXISVHKFQOLKR-ZIAGYGMSSA-N 1 3 369.491 -0.048 20 0 FBADHO COCCC[NH+]1CCC(NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001172247215 840264517 /nfs/dbraw/zinc/26/45/17/840264517.db2.gz KCONYWLRXCKKJB-UHFFFAOYSA-N 1 3 362.540 -0.346 20 0 FBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731020 840341984 /nfs/dbraw/zinc/34/19/84/840341984.db2.gz KYLBGTGQQMKRGN-RQJABVFESA-N 1 3 353.467 -0.249 20 0 FBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731020 840341973 /nfs/dbraw/zinc/34/19/73/840341973.db2.gz KYLBGTGQQMKRGN-RQJABVFESA-N 1 3 353.467 -0.249 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(=O)NC)[C@@H]2C)CC[N@H+]1C ZINC001178736254 840340798 /nfs/dbraw/zinc/34/07/98/840340798.db2.gz RDUGOURDXMLHMT-XDQVBPFNSA-N 1 3 353.467 -0.249 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(=O)NC)[C@@H]2C)CC[N@@H+]1C ZINC001178736254 840340790 /nfs/dbraw/zinc/34/07/90/840340790.db2.gz RDUGOURDXMLHMT-XDQVBPFNSA-N 1 3 353.467 -0.249 20 0 FBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCO)[C@@H](O)OC(C)(C)C)C1 ZINC001179578063 840361037 /nfs/dbraw/zinc/36/10/37/840361037.db2.gz NNHQKTTVHREBDA-IICXDKKESA-N 1 3 361.483 -0.336 20 0 FBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCO)[C@@H](O)OC(C)(C)C)C1 ZINC001179578064 840360282 /nfs/dbraw/zinc/36/02/82/840360282.db2.gz NNHQKTTVHREBDA-RDUHTLEXSA-N 1 3 361.483 -0.336 20 0 FBADHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCO)[C@H](O)OC(C)(C)C)C1 ZINC001179578065 840361003 /nfs/dbraw/zinc/36/10/03/840361003.db2.gz NNHQKTTVHREBDA-UNPMEBSKSA-N 1 3 361.483 -0.336 20 0 FBADHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCO)[C@H](O)OC(C)(C)C)C1 ZINC001179578066 840360506 /nfs/dbraw/zinc/36/05/06/840360506.db2.gz NNHQKTTVHREBDA-YOPIWALVSA-N 1 3 361.483 -0.336 20 0 FBADHO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182031034 840415929 /nfs/dbraw/zinc/41/59/29/840415929.db2.gz IWHOZOCTRFMIPR-UHFFFAOYSA-N 1 3 352.479 -0.354 20 0 FBADHO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182031034 840415924 /nfs/dbraw/zinc/41/59/24/840415924.db2.gz IWHOZOCTRFMIPR-UHFFFAOYSA-N 1 3 352.479 -0.354 20 0 FBADHO COCC[N@H+]1CCO[C@@H]2CN(C(=O)C3(O)CCN(C)CC3)CC[C@@H]2C1 ZINC001182032749 840415953 /nfs/dbraw/zinc/41/59/53/840415953.db2.gz UQIQKIACYKZQBK-HZPDHXFCSA-N 1 3 355.479 -0.361 20 0 FBADHO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C3(O)CCN(C)CC3)CC[C@@H]2C1 ZINC001182032749 840415949 /nfs/dbraw/zinc/41/59/49/840415949.db2.gz UQIQKIACYKZQBK-HZPDHXFCSA-N 1 3 355.479 -0.361 20 0 FBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182661247 840436271 /nfs/dbraw/zinc/43/62/71/840436271.db2.gz JWHHEAROMPAEEG-INMHGKMJSA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001182676325 840436027 /nfs/dbraw/zinc/43/60/27/840436027.db2.gz HENRSNQBHHHMGE-MRVWCRGKSA-N 1 3 351.451 -0.495 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001182676325 840436023 /nfs/dbraw/zinc/43/60/23/840436023.db2.gz HENRSNQBHHHMGE-MRVWCRGKSA-N 1 3 351.451 -0.495 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001182676349 840436620 /nfs/dbraw/zinc/43/66/20/840436620.db2.gz IXOFQSYDIZNDBC-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001182676349 840436613 /nfs/dbraw/zinc/43/66/13/840436613.db2.gz IXOFQSYDIZNDBC-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676945 840436549 /nfs/dbraw/zinc/43/65/49/840436549.db2.gz SQNYUSIHERUERB-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676945 840436544 /nfs/dbraw/zinc/43/65/44/840436544.db2.gz SQNYUSIHERUERB-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCCNS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001182692105 840436331 /nfs/dbraw/zinc/43/63/31/840436331.db2.gz CMAKSLYYIHXZOE-QLFBSQMISA-N 1 3 360.524 -0.154 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCCNS(=O)(=O)CC)C2)CC[N@@H+]1C ZINC001182692105 840436326 /nfs/dbraw/zinc/43/63/26/840436326.db2.gz CMAKSLYYIHXZOE-QLFBSQMISA-N 1 3 360.524 -0.154 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182692309 840436196 /nfs/dbraw/zinc/43/61/96/840436196.db2.gz HWWYXOPXYCZGCY-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692309 840436193 /nfs/dbraw/zinc/43/61/93/840436193.db2.gz HWWYXOPXYCZGCY-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCCN(C)S(C)(=O)=O)C2)CC[N@H+]1C ZINC001182692456 840435915 /nfs/dbraw/zinc/43/59/15/840435915.db2.gz KLGZZLBPHHWWRX-QLFBSQMISA-N 1 3 360.524 -0.201 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182692456 840435910 /nfs/dbraw/zinc/43/59/10/840435910.db2.gz KLGZZLBPHHWWRX-QLFBSQMISA-N 1 3 360.524 -0.201 20 0 FBADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183656801 840461904 /nfs/dbraw/zinc/46/19/04/840461904.db2.gz KYHSZWNPHZXLOI-UHFFFAOYSA-N 1 3 357.430 -0.180 20 0 FBADHO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CN2CC[C@H](O)C2)CC1 ZINC001186038921 840513727 /nfs/dbraw/zinc/51/37/27/840513727.db2.gz SZTSWQSBBAEKTN-HNNXBMFYSA-N 1 3 352.479 -0.402 20 0 FBADHO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CN2CC[C@@H](O)C2)CC1 ZINC001186038922 840513701 /nfs/dbraw/zinc/51/37/01/840513701.db2.gz SZTSWQSBBAEKTN-OAHLLOKOSA-N 1 3 352.479 -0.402 20 0 FBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001189054316 840659729 /nfs/dbraw/zinc/65/97/29/840659729.db2.gz CMJWKCXPPFMKCV-UONOGXRCSA-N 1 3 351.451 -0.587 20 0 FBADHO CN(C)S(=O)(=O)CCCN1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054853 840659827 /nfs/dbraw/zinc/65/98/27/840659827.db2.gz KGEVDBPTBWXGHR-LSDHHAIUSA-N 1 3 360.524 -0.248 20 0 FBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001189055049 840660283 /nfs/dbraw/zinc/66/02/83/840660283.db2.gz NLYZKYSZBIHMAL-HRCADAONSA-N 1 3 352.479 -0.546 20 0 FBADHO C[NH+]1CCC(OCC(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001189543302 840686057 /nfs/dbraw/zinc/68/60/57/840686057.db2.gz FBKIPDQWCMGQTL-DOTOQJQBSA-N 1 3 355.479 -0.361 20 0 FBADHO CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189811004 840699772 /nfs/dbraw/zinc/69/97/72/840699772.db2.gz QQWRZGPKSOLJGJ-ARFHVFGLSA-N 1 3 352.479 -0.282 20 0 FBADHO CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189811005 840699723 /nfs/dbraw/zinc/69/97/23/840699723.db2.gz QQWRZGPKSOLJGJ-HRCADAONSA-N 1 3 352.479 -0.282 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149233 840715988 /nfs/dbraw/zinc/71/59/88/840715988.db2.gz VGTROCHYAQULDA-GVDBMIGSSA-N 1 3 352.479 -0.377 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149233 840715978 /nfs/dbraw/zinc/71/59/78/840715978.db2.gz VGTROCHYAQULDA-GVDBMIGSSA-N 1 3 352.479 -0.377 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149234 840715725 /nfs/dbraw/zinc/71/57/25/840715725.db2.gz VGTROCHYAQULDA-YESZJQIVSA-N 1 3 352.479 -0.377 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149234 840715718 /nfs/dbraw/zinc/71/57/18/840715718.db2.gz VGTROCHYAQULDA-YESZJQIVSA-N 1 3 352.479 -0.377 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258673 841137831 /nfs/dbraw/zinc/13/78/31/841137831.db2.gz KKABAXZGPZTLNA-RBSFLKMASA-N 1 3 354.495 -0.206 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258673 841137826 /nfs/dbraw/zinc/13/78/26/841137826.db2.gz KKABAXZGPZTLNA-RBSFLKMASA-N 1 3 354.495 -0.206 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258675 841137696 /nfs/dbraw/zinc/13/76/96/841137696.db2.gz KKABAXZGPZTLNA-RRFJBIMHSA-N 1 3 354.495 -0.206 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001194258675 841137691 /nfs/dbraw/zinc/13/76/91/841137691.db2.gz KKABAXZGPZTLNA-RRFJBIMHSA-N 1 3 354.495 -0.206 20 0 FBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832781 841192198 /nfs/dbraw/zinc/19/21/98/841192198.db2.gz SLMKEMPULUNPKL-DSZOFWSKSA-N 1 3 353.463 -0.563 20 0 FBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832781 841192194 /nfs/dbraw/zinc/19/21/94/841192194.db2.gz SLMKEMPULUNPKL-DSZOFWSKSA-N 1 3 353.463 -0.563 20 0 FBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832783 841192135 /nfs/dbraw/zinc/19/21/35/841192135.db2.gz SLMKEMPULUNPKL-YLADIXGZSA-N 1 3 353.463 -0.563 20 0 FBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832783 841192126 /nfs/dbraw/zinc/19/21/26/841192126.db2.gz SLMKEMPULUNPKL-YLADIXGZSA-N 1 3 353.463 -0.563 20 0 FBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001195676291 841269143 /nfs/dbraw/zinc/26/91/43/841269143.db2.gz BHSFWTTVTWXOGK-RBSFLKMASA-N 1 3 352.479 -0.594 20 0 FBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@H]2O)CC1 ZINC001195676293 841268866 /nfs/dbraw/zinc/26/88/66/841268866.db2.gz BHSFWTTVTWXOGK-RRFJBIMHSA-N 1 3 352.479 -0.594 20 0 FBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001195708192 841276106 /nfs/dbraw/zinc/27/61/06/841276106.db2.gz HOBDXGPRUIRBDF-HZPDHXFCSA-N 1 3 352.483 -0.049 20 0 FBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319480 841446404 /nfs/dbraw/zinc/44/64/04/841446404.db2.gz JMVINZVBGXGVLV-DJIMGWMZSA-N 1 3 355.479 -0.315 20 0 FBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319481 841446141 /nfs/dbraw/zinc/44/61/41/841446141.db2.gz JMVINZVBGXGVLV-USXIJHARSA-N 1 3 355.479 -0.315 20 0 FBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001197320368 841445767 /nfs/dbraw/zinc/44/57/67/841445767.db2.gz YJWNWELZGKLUTB-DJIMGWMZSA-N 1 3 355.479 -0.172 20 0 FBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001197320369 841447203 /nfs/dbraw/zinc/44/72/03/841447203.db2.gz YJWNWELZGKLUTB-USXIJHARSA-N 1 3 355.479 -0.172 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001197493022 841462733 /nfs/dbraw/zinc/46/27/33/841462733.db2.gz CXOPLUZGCCUEOD-HZPDHXFCSA-N 1 3 352.483 -0.049 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1O ZINC001197493022 841462728 /nfs/dbraw/zinc/46/27/28/841462728.db2.gz CXOPLUZGCCUEOD-HZPDHXFCSA-N 1 3 352.483 -0.049 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O ZINC001197825708 841503476 /nfs/dbraw/zinc/50/34/76/841503476.db2.gz GRCLHPIPCLLPHT-IAGOWNOFSA-N 1 3 357.495 -0.067 20 0 FBADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCCC1 ZINC001197825987 841504988 /nfs/dbraw/zinc/50/49/88/841504988.db2.gz KKJRTMMYWIYLMX-BRWVUGGUSA-N 1 3 357.495 -0.069 20 0 FBADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCCC1 ZINC001197825988 841504560 /nfs/dbraw/zinc/50/45/60/841504560.db2.gz KKJRTMMYWIYLMX-ZACQAIPSSA-N 1 3 357.495 -0.069 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001197826244 841504734 /nfs/dbraw/zinc/50/47/34/841504734.db2.gz SCEVLAJKSIZIKS-BRWVUGGUSA-N 1 3 357.495 -0.333 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001197826245 841505271 /nfs/dbraw/zinc/50/52/71/841505271.db2.gz SCEVLAJKSIZIKS-IXDOHACOSA-N 1 3 357.495 -0.333 20 0 FBADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197949290 841513387 /nfs/dbraw/zinc/51/33/87/841513387.db2.gz QOEJVDAXPUQJQP-ARFHVFGLSA-N 1 3 354.495 -0.204 20 0 FBADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197949293 841512501 /nfs/dbraw/zinc/51/25/01/841512501.db2.gz QOEJVDAXPUQJQP-BZUAXINKSA-N 1 3 354.495 -0.204 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038991 841527395 /nfs/dbraw/zinc/52/73/95/841527395.db2.gz XWLXMRUJVVPJII-ARFHVFGLSA-N 1 3 354.495 -0.204 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038991 841527387 /nfs/dbraw/zinc/52/73/87/841527387.db2.gz XWLXMRUJVVPJII-ARFHVFGLSA-N 1 3 354.495 -0.204 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038993 841527176 /nfs/dbraw/zinc/52/71/76/841527176.db2.gz XWLXMRUJVVPJII-BZUAXINKSA-N 1 3 354.495 -0.204 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198038993 841527166 /nfs/dbraw/zinc/52/71/66/841527166.db2.gz XWLXMRUJVVPJII-BZUAXINKSA-N 1 3 354.495 -0.204 20 0 FBADHO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198672697 841583335 /nfs/dbraw/zinc/58/33/35/841583335.db2.gz QIPPXUIIOTZBTE-JHJVBQTASA-N 1 3 369.384 -0.817 20 0 FBADHO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@H]1O ZINC001198672699 841583242 /nfs/dbraw/zinc/58/32/42/841583242.db2.gz QIPPXUIIOTZBTE-YNEHKIRRSA-N 1 3 369.384 -0.817 20 0 FBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001198699125 841581467 /nfs/dbraw/zinc/58/14/67/841581467.db2.gz KDYOKELYNJEHHF-DJIMGWMZSA-N 1 3 355.479 -0.315 20 0 FBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001198699125 841581462 /nfs/dbraw/zinc/58/14/62/841581462.db2.gz KDYOKELYNJEHHF-DJIMGWMZSA-N 1 3 355.479 -0.315 20 0 FBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001198699126 841582093 /nfs/dbraw/zinc/58/20/93/841582093.db2.gz KDYOKELYNJEHHF-USXIJHARSA-N 1 3 355.479 -0.315 20 0 FBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001198699126 841582079 /nfs/dbraw/zinc/58/20/79/841582079.db2.gz KDYOKELYNJEHHF-USXIJHARSA-N 1 3 355.479 -0.315 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001200536692 852209640 /nfs/dbraw/zinc/20/96/40/852209640.db2.gz FATGBSMXEITZRI-BZUAXINKSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001200536692 852209637 /nfs/dbraw/zinc/20/96/37/852209637.db2.gz FATGBSMXEITZRI-BZUAXINKSA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001200536694 852209204 /nfs/dbraw/zinc/20/92/04/852209204.db2.gz FATGBSMXEITZRI-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001200536694 852209191 /nfs/dbraw/zinc/20/91/91/852209191.db2.gz FATGBSMXEITZRI-OWCLPIDISA-N 1 3 352.479 -0.234 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001200536898 852209723 /nfs/dbraw/zinc/20/97/23/852209723.db2.gz IUWFGNJKEYBWGB-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001200536898 852209717 /nfs/dbraw/zinc/20/97/17/852209717.db2.gz IUWFGNJKEYBWGB-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001200536899 852209003 /nfs/dbraw/zinc/20/90/03/852209003.db2.gz IUWFGNJKEYBWGB-VNQPRFMTSA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001200536899 852208989 /nfs/dbraw/zinc/20/89/89/852208989.db2.gz IUWFGNJKEYBWGB-VNQPRFMTSA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001200538405 852209775 /nfs/dbraw/zinc/20/97/75/852209775.db2.gz ZQOMFCVLZOXSPO-QLFBSQMISA-N 1 3 361.508 -0.422 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001200538405 852209769 /nfs/dbraw/zinc/20/97/69/852209769.db2.gz ZQOMFCVLZOXSPO-QLFBSQMISA-N 1 3 361.508 -0.422 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001200538407 852209268 /nfs/dbraw/zinc/20/92/68/852209268.db2.gz ZQOMFCVLZOXSPO-RBSFLKMASA-N 1 3 361.508 -0.422 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001200538407 852209257 /nfs/dbraw/zinc/20/92/57/852209257.db2.gz ZQOMFCVLZOXSPO-RBSFLKMASA-N 1 3 361.508 -0.422 20 0 FBADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@@H]1CCC(=O)N1)CC2 ZINC001202830639 843668065 /nfs/dbraw/zinc/66/80/65/843668065.db2.gz DHGPMKHEUOSEGV-HNNXBMFYSA-N 1 3 351.495 -0.565 20 0 FBADHO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C[C@H]1CCC(=O)N1)CC2 ZINC001202830640 843668093 /nfs/dbraw/zinc/66/80/93/843668093.db2.gz DHGPMKHEUOSEGV-OAHLLOKOSA-N 1 3 351.495 -0.565 20 0 FBADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986565 844022601 /nfs/dbraw/zinc/02/26/01/844022601.db2.gz ZBCBKHLSFFATCP-IIAWOOMASA-N 1 3 353.467 -0.498 20 0 FBADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986566 844022006 /nfs/dbraw/zinc/02/20/06/844022006.db2.gz ZBCBKHLSFFATCP-IJEWVQPXSA-N 1 3 353.467 -0.498 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992710 844022056 /nfs/dbraw/zinc/02/20/56/844022056.db2.gz CGLSRHSHACGFNS-MUIFIZLQSA-N 1 3 354.495 -0.084 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992710 844022052 /nfs/dbraw/zinc/02/20/52/844022052.db2.gz CGLSRHSHACGFNS-MUIFIZLQSA-N 1 3 354.495 -0.084 20 0 FBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001208036336 844074136 /nfs/dbraw/zinc/07/41/36/844074136.db2.gz GZLJGGCXRFPTNK-HCBPCCMXSA-N 1 3 353.463 -0.705 20 0 FBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001208036336 844074129 /nfs/dbraw/zinc/07/41/29/844074129.db2.gz GZLJGGCXRFPTNK-HCBPCCMXSA-N 1 3 353.463 -0.705 20 0 FBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001208036337 844073817 /nfs/dbraw/zinc/07/38/17/844073817.db2.gz GZLJGGCXRFPTNK-MYPHYYIGSA-N 1 3 353.463 -0.705 20 0 FBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001208036337 844073810 /nfs/dbraw/zinc/07/38/10/844073810.db2.gz GZLJGGCXRFPTNK-MYPHYYIGSA-N 1 3 353.463 -0.705 20 0 FBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070200 844076559 /nfs/dbraw/zinc/07/65/59/844076559.db2.gz GHRQYAAOXOGUSB-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070200 844076553 /nfs/dbraw/zinc/07/65/53/844076553.db2.gz GHRQYAAOXOGUSB-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070201 844077047 /nfs/dbraw/zinc/07/70/47/844077047.db2.gz GHRQYAAOXOGUSB-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070201 844077042 /nfs/dbraw/zinc/07/70/42/844077042.db2.gz GHRQYAAOXOGUSB-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001208073329 844076598 /nfs/dbraw/zinc/07/65/98/844076598.db2.gz IGKDBXLJRPQPNJ-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001208073329 844076591 /nfs/dbraw/zinc/07/65/91/844076591.db2.gz IGKDBXLJRPQPNJ-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001208073330 844076469 /nfs/dbraw/zinc/07/64/69/844076469.db2.gz IGKDBXLJRPQPNJ-MELADBBJSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001208073330 844076463 /nfs/dbraw/zinc/07/64/63/844076463.db2.gz IGKDBXLJRPQPNJ-MELADBBJSA-N 1 3 353.467 -0.247 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434851 844098316 /nfs/dbraw/zinc/09/83/16/844098316.db2.gz FKMLYXSZJIQUOD-GDBMZVCRSA-N 1 3 354.495 -0.083 20 0 FBADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435116 844096981 /nfs/dbraw/zinc/09/69/81/844096981.db2.gz SURSXHXFUOHDHG-BZUAXINKSA-N 1 3 357.495 -0.211 20 0 FBADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435117 844097619 /nfs/dbraw/zinc/09/76/19/844097619.db2.gz SURSXHXFUOHDHG-OWCLPIDISA-N 1 3 357.495 -0.211 20 0 FBADHO C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447475 844099939 /nfs/dbraw/zinc/09/99/39/844099939.db2.gz GYKWAJMHIWOLLP-ZIAGYGMSSA-N 1 3 353.467 -0.293 20 0 FBADHO C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447666 844098997 /nfs/dbraw/zinc/09/89/97/844098997.db2.gz KNDFQYRKMHLVHE-OWCLPIDISA-N 1 3 354.495 -0.252 20 0 FBADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484896 844101905 /nfs/dbraw/zinc/10/19/05/844101905.db2.gz CDDRUIYBPQXTPD-DJIMGWMZSA-N 1 3 357.495 -0.211 20 0 FBADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484898 844102548 /nfs/dbraw/zinc/10/25/48/844102548.db2.gz CDDRUIYBPQXTPD-HYVNUMGLSA-N 1 3 357.495 -0.211 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485162 844103410 /nfs/dbraw/zinc/10/34/10/844103410.db2.gz GYLIJPGTYWOPJI-RHSMWYFYSA-N 1 3 354.495 -0.083 20 0 FBADHO C[C@@H]1CN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494118 844104063 /nfs/dbraw/zinc/10/40/63/844104063.db2.gz GREHLEVBRBIFBL-QLFBSQMISA-N 1 3 360.524 -0.344 20 0 FBADHO C[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494119 844103504 /nfs/dbraw/zinc/10/35/04/844103504.db2.gz GREHLEVBRBIFBL-RBSFLKMASA-N 1 3 360.524 -0.344 20 0 FBADHO C[C@@H]1CN(C[C@@H](O)COC2CCOCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496020 844104128 /nfs/dbraw/zinc/10/41/28/844104128.db2.gz HAQYXBNMYJHBDK-BFYDXBDKSA-N 1 3 357.495 -0.069 20 0 FBADHO C[C@@H]1CN(C[C@H](O)COC2CCOCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496021 844103774 /nfs/dbraw/zinc/10/37/74/844103774.db2.gz HAQYXBNMYJHBDK-HLLBOEOZSA-N 1 3 357.495 -0.069 20 0 FBADHO C[C@H](COCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001208739096 844114409 /nfs/dbraw/zinc/11/44/09/844114409.db2.gz NMNFXGUPWVDZPL-BRWVUGGUSA-N 1 3 357.495 -0.067 20 0 FBADHO C[C@@H](COCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001208739097 844114292 /nfs/dbraw/zinc/11/42/92/844114292.db2.gz NMNFXGUPWVDZPL-IXDOHACOSA-N 1 3 357.495 -0.067 20 0 FBADHO CN1CCN(C2CC[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC2)CC1 ZINC001209273778 844138045 /nfs/dbraw/zinc/13/80/45/844138045.db2.gz FDWMOQCOCQOBKM-IXDOHACOSA-N 1 3 357.495 -0.429 20 0 FBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001209328193 844142107 /nfs/dbraw/zinc/14/21/07/844142107.db2.gz WHQZGNAMMGIPGT-GDBMZVCRSA-N 1 3 353.467 -0.496 20 0 FBADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209328202 844141861 /nfs/dbraw/zinc/14/18/61/844141861.db2.gz WTKDWUCKBUVIEN-FVQBIDKESA-N 1 3 353.467 -0.498 20 0 FBADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209328203 844141655 /nfs/dbraw/zinc/14/16/55/844141655.db2.gz WTKDWUCKBUVIEN-VNQPRFMTSA-N 1 3 353.467 -0.498 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210040112 844170481 /nfs/dbraw/zinc/17/04/81/844170481.db2.gz ADQICZDLVNEKGR-OWCLPIDISA-N 1 3 354.495 -0.252 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001210040112 844170476 /nfs/dbraw/zinc/17/04/76/844170476.db2.gz ADQICZDLVNEKGR-OWCLPIDISA-N 1 3 354.495 -0.252 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210040276 844171029 /nfs/dbraw/zinc/17/10/29/844171029.db2.gz FCQVZFPXFIDXIH-ZIAGYGMSSA-N 1 3 353.467 -0.293 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001210040276 844171026 /nfs/dbraw/zinc/17/10/26/844171026.db2.gz FCQVZFPXFIDXIH-ZIAGYGMSSA-N 1 3 353.467 -0.293 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210276533 844182389 /nfs/dbraw/zinc/18/23/89/844182389.db2.gz KNHCIYNYEDRKHX-DJIMGWMZSA-N 1 3 354.495 -0.083 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210276533 844182386 /nfs/dbraw/zinc/18/23/86/844182386.db2.gz KNHCIYNYEDRKHX-DJIMGWMZSA-N 1 3 354.495 -0.083 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210276536 844182439 /nfs/dbraw/zinc/18/24/39/844182439.db2.gz KNHCIYNYEDRKHX-HYVNUMGLSA-N 1 3 354.495 -0.083 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210276536 844182435 /nfs/dbraw/zinc/18/24/35/844182435.db2.gz KNHCIYNYEDRKHX-HYVNUMGLSA-N 1 3 354.495 -0.083 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314554 844183711 /nfs/dbraw/zinc/18/37/11/844183711.db2.gz AUIVPUNIQWQJTP-GDBMZVCRSA-N 1 3 358.483 -0.846 20 0 FBADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314648 844183848 /nfs/dbraw/zinc/18/38/48/844183848.db2.gz BZNQKQDLJGRKHF-BZUAXINKSA-N 1 3 361.483 -0.975 20 0 FBADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314661 844183412 /nfs/dbraw/zinc/18/34/12/844183412.db2.gz BZNQKQDLJGRKHF-OWCLPIDISA-N 1 3 361.483 -0.975 20 0 FBADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315857 844185130 /nfs/dbraw/zinc/18/51/30/844185130.db2.gz WZPRLYZKHMQEHP-GDBMZVCRSA-N 1 3 350.463 -0.100 20 0 FBADHO C[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322365 844184602 /nfs/dbraw/zinc/18/46/02/844184602.db2.gz PVPMUGNXVRXQSE-QLFBSQMISA-N 1 3 350.467 -0.220 20 0 FBADHO C[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322369 844185198 /nfs/dbraw/zinc/18/51/98/844185198.db2.gz PVPMUGNXVRXQSE-RBSFLKMASA-N 1 3 350.467 -0.220 20 0 FBADHO COCCOC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330211 844185143 /nfs/dbraw/zinc/18/51/43/844185143.db2.gz RVQLXPYVTFLZMK-BZUAXINKSA-N 1 3 355.479 -0.457 20 0 FBADHO COCCOC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330212 844185254 /nfs/dbraw/zinc/18/52/54/844185254.db2.gz RVQLXPYVTFLZMK-OWCLPIDISA-N 1 3 355.479 -0.457 20 0 FBADHO CC(=O)NCCOCCN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330436 844184434 /nfs/dbraw/zinc/18/44/34/844184434.db2.gz YBLMDKNYCIPJAE-GDBMZVCRSA-N 1 3 352.479 -0.329 20 0 FBADHO COCCCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190112 844251585 /nfs/dbraw/zinc/25/15/85/844251585.db2.gz MMWVEBUPWSLKJY-DSZOFWSKSA-N 1 3 353.463 -0.299 20 0 FBADHO COCCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190112 844251576 /nfs/dbraw/zinc/25/15/76/844251576.db2.gz MMWVEBUPWSLKJY-DSZOFWSKSA-N 1 3 353.463 -0.299 20 0 FBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190113 844252383 /nfs/dbraw/zinc/25/23/83/844252383.db2.gz MMWVEBUPWSLKJY-YLADIXGZSA-N 1 3 353.463 -0.299 20 0 FBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001213190113 844252378 /nfs/dbraw/zinc/25/23/78/844252378.db2.gz MMWVEBUPWSLKJY-YLADIXGZSA-N 1 3 353.463 -0.299 20 0 FBADHO COCCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555618 844326276 /nfs/dbraw/zinc/32/62/76/844326276.db2.gz XAVSRBSPJXZZMU-HZPDHXFCSA-N 1 3 353.467 -0.090 20 0 FBADHO COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](OC)C1 ZINC001213730736 844373696 /nfs/dbraw/zinc/37/36/96/844373696.db2.gz WJLZZECXWZUTKN-JGGQBBKZSA-N 1 3 352.435 -0.416 20 0 FBADHO COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](OC)C1 ZINC001213730736 844373688 /nfs/dbraw/zinc/37/36/88/844373688.db2.gz WJLZZECXWZUTKN-JGGQBBKZSA-N 1 3 352.435 -0.416 20 0 FBADHO COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](OC)C1 ZINC001213730737 844373749 /nfs/dbraw/zinc/37/37/49/844373749.db2.gz WJLZZECXWZUTKN-XNRPHZJLSA-N 1 3 352.435 -0.416 20 0 FBADHO COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](OC)C1 ZINC001213730737 844373734 /nfs/dbraw/zinc/37/37/34/844373734.db2.gz WJLZZECXWZUTKN-XNRPHZJLSA-N 1 3 352.435 -0.416 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214343678 844458313 /nfs/dbraw/zinc/45/83/13/844458313.db2.gz CGXPXHNQACLRIL-BMFZPTHFSA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214343679 844458019 /nfs/dbraw/zinc/45/80/19/844458019.db2.gz CGXPXHNQACLRIL-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214344038 844458498 /nfs/dbraw/zinc/45/84/98/844458498.db2.gz MTZFNHACPSFZPO-MCIONIFRSA-N 1 3 353.467 -0.247 20 0 FBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214344039 844458093 /nfs/dbraw/zinc/45/80/93/844458093.db2.gz MTZFNHACPSFZPO-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214344717 844458413 /nfs/dbraw/zinc/45/84/13/844458413.db2.gz XHSDDHIMBBZHGF-BNOWGMLFSA-N 1 3 351.451 -0.495 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001214344721 844458130 /nfs/dbraw/zinc/45/81/30/844458130.db2.gz XHSDDHIMBBZHGF-MRVWCRGKSA-N 1 3 351.451 -0.495 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214596973 844477764 /nfs/dbraw/zinc/47/77/64/844477764.db2.gz BMDXVBJOWRFPSZ-MCIONIFRSA-N 1 3 353.467 -0.249 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214596973 844477757 /nfs/dbraw/zinc/47/77/57/844477757.db2.gz BMDXVBJOWRFPSZ-MCIONIFRSA-N 1 3 353.467 -0.249 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214596974 844478155 /nfs/dbraw/zinc/47/81/55/844478155.db2.gz BMDXVBJOWRFPSZ-MGPQQGTHSA-N 1 3 353.467 -0.249 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214596974 844478150 /nfs/dbraw/zinc/47/81/50/844478150.db2.gz BMDXVBJOWRFPSZ-MGPQQGTHSA-N 1 3 353.467 -0.249 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646396 844483661 /nfs/dbraw/zinc/48/36/61/844483661.db2.gz RFQBZNCDBVOSQE-KWCYVHTRSA-N 1 3 351.451 -0.780 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646397 844483747 /nfs/dbraw/zinc/48/37/47/844483747.db2.gz RFQBZNCDBVOSQE-MRVWCRGKSA-N 1 3 351.451 -0.780 20 0 FBADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCC(=O)N(C)C ZINC001214655146 844485092 /nfs/dbraw/zinc/48/50/92/844485092.db2.gz AWFUEVIYNWDJOV-UKRRQHHQSA-N 1 3 350.467 -0.417 20 0 FBADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCCS(C)(=O)=O ZINC001214655545 844485082 /nfs/dbraw/zinc/48/50/82/844485082.db2.gz MJADXQFHKWCHQI-UKRRQHHQSA-N 1 3 371.507 -0.461 20 0 FBADHO CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655950 844484858 /nfs/dbraw/zinc/48/48/58/844484858.db2.gz XQLSWJZVKFTIDE-UKRRQHHQSA-N 1 3 350.467 -0.369 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661765 844484753 /nfs/dbraw/zinc/48/47/53/844484753.db2.gz CHDMWVGMQRRREC-KLHDSHLOSA-N 1 3 354.495 -0.084 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661765 844484750 /nfs/dbraw/zinc/48/47/50/844484750.db2.gz CHDMWVGMQRRREC-KLHDSHLOSA-N 1 3 354.495 -0.084 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661781 844485117 /nfs/dbraw/zinc/48/51/17/844485117.db2.gz DJYICVDGAFMNRO-AAVRWANBSA-N 1 3 353.467 -0.391 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661781 844485115 /nfs/dbraw/zinc/48/51/15/844485115.db2.gz DJYICVDGAFMNRO-AAVRWANBSA-N 1 3 353.467 -0.391 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664279 844484595 /nfs/dbraw/zinc/48/45/95/844484595.db2.gz UTCWEBOPRVFTBV-KLHDSHLOSA-N 1 3 354.495 -0.084 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664279 844484576 /nfs/dbraw/zinc/48/45/76/844484576.db2.gz UTCWEBOPRVFTBV-KLHDSHLOSA-N 1 3 354.495 -0.084 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)CC[N@H+]1C ZINC001214665395 844485074 /nfs/dbraw/zinc/48/50/74/844485074.db2.gz AFLZFBNLPJZXOD-XJFOESAGSA-N 1 3 353.467 -0.391 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001214665395 844485071 /nfs/dbraw/zinc/48/50/71/844485071.db2.gz AFLZFBNLPJZXOD-XJFOESAGSA-N 1 3 353.467 -0.391 20 0 FBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214755002 844492793 /nfs/dbraw/zinc/49/27/93/844492793.db2.gz NYAFWWLCVPRDKW-HZSPNIEDSA-N 1 3 366.503 -0.348 20 0 FBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214755003 844492695 /nfs/dbraw/zinc/49/26/95/844492695.db2.gz NYAFWWLCVPRDKW-MGPQQGTHSA-N 1 3 366.503 -0.348 20 0 FBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214757631 844492148 /nfs/dbraw/zinc/49/21/48/844492148.db2.gz RVEAJRAJSBAFHZ-FRRDWIJNSA-N 1 3 359.446 -0.442 20 0 FBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214757632 844492229 /nfs/dbraw/zinc/49/22/29/844492229.db2.gz RVEAJRAJSBAFHZ-JHJVBQTASA-N 1 3 359.446 -0.442 20 0 FBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001214779963 844499699 /nfs/dbraw/zinc/49/96/99/844499699.db2.gz FIBDWGQRFTZXJB-MCIONIFRSA-N 1 3 353.467 -0.247 20 0 FBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001214779963 844499696 /nfs/dbraw/zinc/49/96/96/844499696.db2.gz FIBDWGQRFTZXJB-MCIONIFRSA-N 1 3 353.467 -0.247 20 0 FBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001214779964 844500259 /nfs/dbraw/zinc/50/02/59/844500259.db2.gz FIBDWGQRFTZXJB-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001214779964 844500254 /nfs/dbraw/zinc/50/02/54/844500254.db2.gz FIBDWGQRFTZXJB-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001214845496 844504204 /nfs/dbraw/zinc/50/42/04/844504204.db2.gz WQNWDXJEOLOGQK-HZSPNIEDSA-N 1 3 353.467 -0.404 20 0 FBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001214845496 844504197 /nfs/dbraw/zinc/50/41/97/844504197.db2.gz WQNWDXJEOLOGQK-HZSPNIEDSA-N 1 3 353.467 -0.404 20 0 FBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001214845497 844504453 /nfs/dbraw/zinc/50/44/53/844504453.db2.gz WQNWDXJEOLOGQK-MGPQQGTHSA-N 1 3 353.467 -0.404 20 0 FBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001214845497 844504446 /nfs/dbraw/zinc/50/44/46/844504446.db2.gz WQNWDXJEOLOGQK-MGPQQGTHSA-N 1 3 353.467 -0.404 20 0 FBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214847291 844504620 /nfs/dbraw/zinc/50/46/20/844504620.db2.gz ACRKPFVSQHGQKO-ZIAGYGMSSA-N 1 3 360.524 -0.201 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847592 844504468 /nfs/dbraw/zinc/50/44/68/844504468.db2.gz KURXCRUOIUXHJU-ZIAGYGMSSA-N 1 3 360.524 -0.154 20 0 FBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847609 844503770 /nfs/dbraw/zinc/50/37/70/844503770.db2.gz LJWBROCJVCLCIE-FRRDWIJNSA-N 1 3 353.467 -0.249 20 0 FBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847610 844504629 /nfs/dbraw/zinc/50/46/29/844504629.db2.gz LJWBROCJVCLCIE-JHJVBQTASA-N 1 3 353.467 -0.249 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847654 844504337 /nfs/dbraw/zinc/50/43/37/844504337.db2.gz MSIQXZLUKXLUSH-CHWSQXEVSA-N 1 3 353.467 -0.247 20 0 FBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847799 844503940 /nfs/dbraw/zinc/50/39/40/844503940.db2.gz SVUWRNVHJCQHJR-BZUAXINKSA-N 1 3 357.495 -0.069 20 0 FBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847800 844504522 /nfs/dbraw/zinc/50/45/22/844504522.db2.gz SVUWRNVHJCQHJR-OWCLPIDISA-N 1 3 357.495 -0.069 20 0 FBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214850414 844503882 /nfs/dbraw/zinc/50/38/82/844503882.db2.gz VGQLLLLOCKZKBY-BMFZPTHFSA-N 1 3 352.479 -0.188 20 0 FBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214850414 844503878 /nfs/dbraw/zinc/50/38/78/844503878.db2.gz VGQLLLLOCKZKBY-BMFZPTHFSA-N 1 3 352.479 -0.188 20 0 FBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214850415 844504321 /nfs/dbraw/zinc/50/43/21/844504321.db2.gz VGQLLLLOCKZKBY-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001214850415 844504308 /nfs/dbraw/zinc/50/43/08/844504308.db2.gz VGQLLLLOCKZKBY-FVQBIDKESA-N 1 3 352.479 -0.188 20 0 FBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214852810 844503818 /nfs/dbraw/zinc/50/38/18/844503818.db2.gz JSSAIHROQPYWTH-HZSPNIEDSA-N 1 3 353.467 -0.119 20 0 FBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214852810 844503808 /nfs/dbraw/zinc/50/38/08/844503808.db2.gz JSSAIHROQPYWTH-HZSPNIEDSA-N 1 3 353.467 -0.119 20 0 FBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214852811 844504590 /nfs/dbraw/zinc/50/45/90/844504590.db2.gz JSSAIHROQPYWTH-MGPQQGTHSA-N 1 3 353.467 -0.119 20 0 FBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214852811 844504585 /nfs/dbraw/zinc/50/45/85/844504585.db2.gz JSSAIHROQPYWTH-MGPQQGTHSA-N 1 3 353.467 -0.119 20 0 FBADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855322 844505244 /nfs/dbraw/zinc/50/52/44/844505244.db2.gz CFBBMFDDWNODPA-FRFSOERESA-N 1 3 354.495 -0.084 20 0 FBADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855323 844505380 /nfs/dbraw/zinc/50/53/80/844505380.db2.gz CFBBMFDDWNODPA-UNEWFSDZSA-N 1 3 354.495 -0.084 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214855533 844505087 /nfs/dbraw/zinc/50/50/87/844505087.db2.gz FQGLZSRRFSNEKA-BPLDGKMQSA-N 1 3 360.524 -0.346 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214855534 844505284 /nfs/dbraw/zinc/50/52/84/844505284.db2.gz FQGLZSRRFSNEKA-YUELXQCFSA-N 1 3 360.524 -0.346 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855725 844505400 /nfs/dbraw/zinc/50/54/00/844505400.db2.gz MAVBYRUDGIZROA-KYOSRNDESA-N 1 3 353.467 -0.391 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855726 844505608 /nfs/dbraw/zinc/50/56/08/844505608.db2.gz MAVBYRUDGIZROA-UXIGCNINSA-N 1 3 353.467 -0.391 20 0 FBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855830 844505169 /nfs/dbraw/zinc/50/51/69/844505169.db2.gz OYQXQHWJTYIPKU-FRFSOERESA-N 1 3 354.495 -0.084 20 0 FBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855831 844505421 /nfs/dbraw/zinc/50/54/21/844505421.db2.gz OYQXQHWJTYIPKU-UNEWFSDZSA-N 1 3 354.495 -0.084 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855867 844505329 /nfs/dbraw/zinc/50/53/29/844505329.db2.gz PZQGKLMCDMULFL-BPLDGKMQSA-N 1 3 360.524 -0.298 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855868 844505062 /nfs/dbraw/zinc/50/50/62/844505062.db2.gz PZQGKLMCDMULFL-YUELXQCFSA-N 1 3 360.524 -0.298 20 0 FBADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856075 844505411 /nfs/dbraw/zinc/50/54/11/844505411.db2.gz WYUHCNWNSRLLPK-KBRIMQKVSA-N 1 3 354.495 -0.084 20 0 FBADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856076 844505340 /nfs/dbraw/zinc/50/53/40/844505340.db2.gz WYUHCNWNSRLLPK-XYPHTWIQSA-N 1 3 354.495 -0.084 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861131 844505446 /nfs/dbraw/zinc/50/54/46/844505446.db2.gz IVYSBOKKAYPKBX-UKRRQHHQSA-N 1 3 360.524 -0.154 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861262 844505514 /nfs/dbraw/zinc/50/55/14/844505514.db2.gz NJUOCNPHBQXZQV-TZMCWYRMSA-N 1 3 353.467 -0.247 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214861383 844505575 /nfs/dbraw/zinc/50/55/75/844505575.db2.gz SLOBZCVPPJYJFT-UKRRQHHQSA-N 1 3 360.524 -0.201 20 0 FBADHO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861513 844505484 /nfs/dbraw/zinc/50/54/84/844505484.db2.gz VPZVUNQMAPZSRA-DJIMGWMZSA-N 1 3 357.495 -0.069 20 0 FBADHO COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861514 844504961 /nfs/dbraw/zinc/50/49/61/844504961.db2.gz VPZVUNQMAPZSRA-HYVNUMGLSA-N 1 3 357.495 -0.069 20 0 FBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214862962 844505231 /nfs/dbraw/zinc/50/52/31/844505231.db2.gz BCLZBCXFAOBFJU-MBNYWOFBSA-N 1 3 353.467 -0.249 20 0 FBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214862965 844505650 /nfs/dbraw/zinc/50/56/50/844505650.db2.gz BCLZBCXFAOBFJU-YRGRVCCFSA-N 1 3 353.467 -0.249 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890287 844507709 /nfs/dbraw/zinc/50/77/09/844507709.db2.gz VULYWIVGNUQRCW-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890287 844507701 /nfs/dbraw/zinc/50/77/01/844507701.db2.gz VULYWIVGNUQRCW-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890290 844507169 /nfs/dbraw/zinc/50/71/69/844507169.db2.gz VULYWIVGNUQRCW-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890290 844507156 /nfs/dbraw/zinc/50/71/56/844507156.db2.gz VULYWIVGNUQRCW-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904672 844508522 /nfs/dbraw/zinc/50/85/22/844508522.db2.gz CZRJUQIADJYWOA-KFWWJZLASA-N 1 3 362.540 -0.052 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001214904872 844508300 /nfs/dbraw/zinc/50/83/00/844508300.db2.gz NPOUIDKMGAFNQA-KFWWJZLASA-N 1 3 362.540 -0.100 20 0 FBADHO C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCC(=O)NC(N)=O ZINC001214947853 844510963 /nfs/dbraw/zinc/51/09/63/844510963.db2.gz GGSNRODYRCGIDD-CHWSQXEVSA-N 1 3 351.451 -0.506 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1)N(C)C ZINC001214952789 844511013 /nfs/dbraw/zinc/51/10/13/844511013.db2.gz MFVVGWOZBXGCNJ-MRVWCRGKSA-N 1 3 353.467 -0.249 20 0 FBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214952860 844510836 /nfs/dbraw/zinc/51/08/36/844510836.db2.gz PQFFZJJWKXCOEO-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)N(C)C ZINC001214952979 844510383 /nfs/dbraw/zinc/51/03/83/844510383.db2.gz VFLMQPFDSQRXNI-QKPAOTATSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001214953069 844510784 /nfs/dbraw/zinc/51/07/84/844510784.db2.gz ZWGHKOBEVLVYNP-MGPQQGTHSA-N 1 3 353.467 -0.295 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001214996842 844516692 /nfs/dbraw/zinc/51/66/92/844516692.db2.gz DOAXEHQVJYQPLI-CHWSQXEVSA-N 1 3 353.467 -0.295 20 0 FBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215036211 844520018 /nfs/dbraw/zinc/52/00/18/844520018.db2.gz RQTGIFRFUFVLLF-MCIONIFRSA-N 1 3 353.467 -0.262 20 0 FBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215036211 844520011 /nfs/dbraw/zinc/52/00/11/844520011.db2.gz RQTGIFRFUFVLLF-MCIONIFRSA-N 1 3 353.467 -0.262 20 0 FBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215036212 844520084 /nfs/dbraw/zinc/52/00/84/844520084.db2.gz RQTGIFRFUFVLLF-MGPQQGTHSA-N 1 3 353.467 -0.262 20 0 FBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001215036212 844520079 /nfs/dbraw/zinc/52/00/79/844520079.db2.gz RQTGIFRFUFVLLF-MGPQQGTHSA-N 1 3 353.467 -0.262 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056983 844522006 /nfs/dbraw/zinc/52/20/06/844522006.db2.gz QTPIUVYAUIFJET-CHWSQXEVSA-N 1 3 351.451 -0.493 20 0 FBADHO C[C@H](N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(=O)NC(N)=O ZINC001215058216 844522110 /nfs/dbraw/zinc/52/21/10/844522110.db2.gz FPWRXEJQKQJBFD-FRRDWIJNSA-N 1 3 351.451 -0.365 20 0 FBADHO C[C@@H](N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C)C(=O)NC(N)=O ZINC001215058217 844521804 /nfs/dbraw/zinc/52/18/04/844521804.db2.gz FPWRXEJQKQJBFD-JHJVBQTASA-N 1 3 351.451 -0.365 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215184534 844528623 /nfs/dbraw/zinc/52/86/23/844528623.db2.gz IFSSHOHMLLNNIP-ILLDSPSKSA-N 1 3 350.463 -0.626 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215184535 844528535 /nfs/dbraw/zinc/52/85/35/844528535.db2.gz IFSSHOHMLLNNIP-PGJZFTLKSA-N 1 3 350.463 -0.626 20 0 FBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184692 844528501 /nfs/dbraw/zinc/52/85/01/844528501.db2.gz OQCZQZOAUMBVJK-ILLDSPSKSA-N 1 3 350.463 -0.578 20 0 FBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184693 844528114 /nfs/dbraw/zinc/52/81/14/844528114.db2.gz OQCZQZOAUMBVJK-PGJZFTLKSA-N 1 3 350.463 -0.578 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCCO ZINC001215184697 844528524 /nfs/dbraw/zinc/52/85/24/844528524.db2.gz OVTLSWDEQLVIIL-HCBPCCMXSA-N 1 3 353.463 -0.705 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCOCCO ZINC001215184698 844528602 /nfs/dbraw/zinc/52/86/02/844528602.db2.gz OVTLSWDEQLVIIL-MYPHYYIGSA-N 1 3 353.463 -0.705 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215184703 844528334 /nfs/dbraw/zinc/52/83/34/844528334.db2.gz PAANJPJJCRQOMW-QVCPJDEESA-N 1 3 371.503 -0.669 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215184704 844528169 /nfs/dbraw/zinc/52/81/69/844528169.db2.gz PAANJPJJCRQOMW-RJZXRHAOSA-N 1 3 371.503 -0.669 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215224145 844530053 /nfs/dbraw/zinc/53/00/53/844530053.db2.gz KTDUMEGZWYIRON-KYOSRNDESA-N 1 3 351.451 -0.508 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215224146 844530455 /nfs/dbraw/zinc/53/04/55/844530455.db2.gz KTDUMEGZWYIRON-UXIGCNINSA-N 1 3 351.451 -0.508 20 0 FBADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001215234099 844532376 /nfs/dbraw/zinc/53/23/76/844532376.db2.gz CQLFNABUPLRPTK-CHWSQXEVSA-N 1 3 353.467 -0.118 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298694 844537311 /nfs/dbraw/zinc/53/73/11/844537311.db2.gz CTWFYINSFSSMTP-CHWSQXEVSA-N 1 3 353.467 -0.247 20 0 FBADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001215381057 844541057 /nfs/dbraw/zinc/54/10/57/844541057.db2.gz MUVXAUKXKRUJKB-HZSPNIEDSA-N 1 3 353.467 -0.260 20 0 FBADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001215381057 844541053 /nfs/dbraw/zinc/54/10/53/844541053.db2.gz MUVXAUKXKRUJKB-HZSPNIEDSA-N 1 3 353.467 -0.260 20 0 FBADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001215381058 844541213 /nfs/dbraw/zinc/54/12/13/844541213.db2.gz MUVXAUKXKRUJKB-MGPQQGTHSA-N 1 3 353.467 -0.260 20 0 FBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001215381058 844541209 /nfs/dbraw/zinc/54/12/09/844541209.db2.gz MUVXAUKXKRUJKB-MGPQQGTHSA-N 1 3 353.467 -0.260 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397371 844543252 /nfs/dbraw/zinc/54/32/52/844543252.db2.gz YBGJIOSXLBSRAD-ZOBORPQBSA-N 1 3 353.467 -0.391 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397371 844543244 /nfs/dbraw/zinc/54/32/44/844543244.db2.gz YBGJIOSXLBSRAD-ZOBORPQBSA-N 1 3 353.467 -0.391 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413416 844543491 /nfs/dbraw/zinc/54/34/91/844543491.db2.gz FUNLEFSGXAZCAE-HUUCEWRRSA-N 1 3 354.495 -0.083 20 0 FBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413633 844543428 /nfs/dbraw/zinc/54/34/28/844543428.db2.gz JBUQAIWCJXUWNJ-FRRDWIJNSA-N 1 3 353.467 -0.391 20 0 FBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413702 844543588 /nfs/dbraw/zinc/54/35/88/844543588.db2.gz JBUQAIWCJXUWNJ-JHJVBQTASA-N 1 3 353.467 -0.391 20 0 FBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001215415647 844544249 /nfs/dbraw/zinc/54/42/49/844544249.db2.gz FPBQLSMQPWBYMO-HUUCEWRRSA-N 1 3 352.479 -0.377 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416251 844544676 /nfs/dbraw/zinc/54/46/76/844544676.db2.gz RKWFTKKSDQDAEF-HUUCEWRRSA-N 1 3 354.495 -0.083 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416682 844544634 /nfs/dbraw/zinc/54/46/34/844544634.db2.gz WKTUNFHZAFXAQX-CHWSQXEVSA-N 1 3 353.467 -0.390 20 0 FBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421588 844544711 /nfs/dbraw/zinc/54/47/11/844544711.db2.gz HHAHBAGLEPVBNV-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421589 844544722 /nfs/dbraw/zinc/54/47/22/844544722.db2.gz HHAHBAGLEPVBNV-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001215421918 844544586 /nfs/dbraw/zinc/54/45/86/844544586.db2.gz QCPHVDLKEHLFEG-TZMCWYRMSA-N 1 3 353.467 -0.247 20 0 FBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001215423473 844544752 /nfs/dbraw/zinc/54/47/52/844544752.db2.gz NFIDTMYNHXMZDT-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001215423474 844544408 /nfs/dbraw/zinc/54/44/08/844544408.db2.gz NFIDTMYNHXMZDT-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453611 844546575 /nfs/dbraw/zinc/54/65/75/844546575.db2.gz KJVBIBCWBZOHIB-TZMCWYRMSA-N 1 3 353.467 -0.390 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453650 844546488 /nfs/dbraw/zinc/54/64/88/844546488.db2.gz MAKZIQAJHIDSDS-GDBMZVCRSA-N 1 3 354.495 -0.083 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453936 844546741 /nfs/dbraw/zinc/54/67/41/844546741.db2.gz ZYDSGQKZKWPTIG-GDBMZVCRSA-N 1 3 354.495 -0.083 20 0 FBADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215458787 844546803 /nfs/dbraw/zinc/54/68/03/844546803.db2.gz KTLHOQDZEMYGNE-MBNYWOFBSA-N 1 3 353.467 -0.249 20 0 FBADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001215458788 844547104 /nfs/dbraw/zinc/54/71/04/844547104.db2.gz KTLHOQDZEMYGNE-YRGRVCCFSA-N 1 3 353.467 -0.249 20 0 FBADHO CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459098 844547043 /nfs/dbraw/zinc/54/70/43/844547043.db2.gz XGIOSLOBVBIFDG-HZSPNIEDSA-N 1 3 355.483 -0.003 20 0 FBADHO CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459099 844546933 /nfs/dbraw/zinc/54/69/33/844546933.db2.gz XGIOSLOBVBIFDG-MGPQQGTHSA-N 1 3 355.483 -0.003 20 0 FBADHO CC(C)CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463090 844546479 /nfs/dbraw/zinc/54/64/79/844546479.db2.gz HOTBLRJFJMHFQD-ZIAGYGMSSA-N 1 3 355.483 -0.144 20 0 FBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC(=O)NC(C)(C)C ZINC001215463202 844546483 /nfs/dbraw/zinc/54/64/83/844546483.db2.gz LVNBSJMETKMWMB-CHWSQXEVSA-N 1 3 355.483 -0.001 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215473534 844547939 /nfs/dbraw/zinc/54/79/39/844547939.db2.gz CZRJUQIADJYWOA-RBSFLKMASA-N 1 3 362.540 -0.052 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)N(C)C ZINC001215474353 844547842 /nfs/dbraw/zinc/54/78/42/844547842.db2.gz NPOUIDKMGAFNQA-RBSFLKMASA-N 1 3 362.540 -0.100 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001215518787 844548999 /nfs/dbraw/zinc/54/89/99/844548999.db2.gz MHQFHZFSRWQVDQ-MCIONIFRSA-N 1 3 355.483 -0.001 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001215518788 844549008 /nfs/dbraw/zinc/54/90/08/844549008.db2.gz MHQFHZFSRWQVDQ-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215536118 844549900 /nfs/dbraw/zinc/54/99/00/844549900.db2.gz JBYFTPWAOMUWTF-QLFBSQMISA-N 1 3 360.524 -0.201 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215536119 844550172 /nfs/dbraw/zinc/55/01/72/844550172.db2.gz JBYFTPWAOMUWTF-RBSFLKMASA-N 1 3 360.524 -0.201 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536219 844549485 /nfs/dbraw/zinc/54/94/85/844549485.db2.gz MUJLFXSAEJSSOU-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536220 844549942 /nfs/dbraw/zinc/54/99/42/844549942.db2.gz MUJLFXSAEJSSOU-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540317 844550012 /nfs/dbraw/zinc/55/00/12/844550012.db2.gz LRGUDLUFEMNNBU-ARFHVFGLSA-N 1 3 354.495 -0.083 20 0 FBADHO COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215540318 844549628 /nfs/dbraw/zinc/54/96/28/844549628.db2.gz LRGUDLUFEMNNBU-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215540628 844549991 /nfs/dbraw/zinc/54/99/91/844549991.db2.gz OJGJHDFCGKPYSH-QLFBSQMISA-N 1 3 360.524 -0.154 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215540629 844549466 /nfs/dbraw/zinc/54/94/66/844549466.db2.gz OJGJHDFCGKPYSH-RBSFLKMASA-N 1 3 360.524 -0.154 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215540772 844549643 /nfs/dbraw/zinc/54/96/43/844549643.db2.gz PQYTWRIBCGDFAU-RBSFLKMASA-N 1 3 360.524 -0.296 20 0 FBADHO CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540773 844549722 /nfs/dbraw/zinc/54/97/22/844549722.db2.gz PQYTWRIBCGDFAU-RRFJBIMHSA-N 1 3 360.524 -0.296 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)C1 ZINC001215540784 844550048 /nfs/dbraw/zinc/55/00/48/844550048.db2.gz PUYVVZLVWCJAPW-RBSFLKMASA-N 1 3 360.524 -0.344 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215540785 844549756 /nfs/dbraw/zinc/54/97/56/844549756.db2.gz PUYVVZLVWCJAPW-RRFJBIMHSA-N 1 3 360.524 -0.344 20 0 FBADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215541318 844549774 /nfs/dbraw/zinc/54/97/74/844549774.db2.gz YBXSDMXRURXUMR-BFYDXBDKSA-N 1 3 354.495 -0.083 20 0 FBADHO CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215541319 844549746 /nfs/dbraw/zinc/54/97/46/844549746.db2.gz YBXSDMXRURXUMR-ZMSDIMECSA-N 1 3 354.495 -0.083 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215541372 844549538 /nfs/dbraw/zinc/54/95/38/844549538.db2.gz ZQYXMTSGAJTRHB-BFHYXJOUSA-N 1 3 353.467 -0.390 20 0 FBADHO CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215541373 844549971 /nfs/dbraw/zinc/54/99/71/844549971.db2.gz ZQYXMTSGAJTRHB-MGPQQGTHSA-N 1 3 353.467 -0.390 20 0 FBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215544414 844550030 /nfs/dbraw/zinc/55/00/30/844550030.db2.gz TYUYXCGSSXBONP-ARFHVFGLSA-N 1 3 354.495 -0.083 20 0 FBADHO CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215544415 844550198 /nfs/dbraw/zinc/55/01/98/844550198.db2.gz TYUYXCGSSXBONP-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551357 844550150 /nfs/dbraw/zinc/55/01/50/844550150.db2.gz PJCOUBXZGYUVGV-CHWSQXEVSA-N 1 3 353.467 -0.390 20 0 FBADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(=O)NC(N)=O ZINC001215557786 844550773 /nfs/dbraw/zinc/55/07/73/844550773.db2.gz CPBASMTXJTWALG-FRRDWIJNSA-N 1 3 353.467 -0.262 20 0 FBADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(=O)NC(N)=O ZINC001215557787 844550593 /nfs/dbraw/zinc/55/05/93/844550593.db2.gz CPBASMTXJTWALG-JHJVBQTASA-N 1 3 353.467 -0.262 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215557988 844550623 /nfs/dbraw/zinc/55/06/23/844550623.db2.gz IIHUQZKSVLMNCN-ZIAGYGMSSA-N 1 3 360.524 -0.296 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215563429 844550733 /nfs/dbraw/zinc/55/07/33/844550733.db2.gz GBHGDLXKWGIKEC-CHWSQXEVSA-N 1 3 355.483 -0.144 20 0 FBADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215567682 844550972 /nfs/dbraw/zinc/55/09/72/844550972.db2.gz DPRAHFGHRJSPSO-FRRDWIJNSA-N 1 3 355.483 -0.016 20 0 FBADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215567683 844550927 /nfs/dbraw/zinc/55/09/27/844550927.db2.gz DPRAHFGHRJSPSO-JHJVBQTASA-N 1 3 355.483 -0.016 20 0 FBADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215568377 844550648 /nfs/dbraw/zinc/55/06/48/844550648.db2.gz NVIKDRPIOMDUOA-ZIAGYGMSSA-N 1 3 362.540 -0.050 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1)N(C)C ZINC001215571370 844550793 /nfs/dbraw/zinc/55/07/93/844550793.db2.gz MFVVGWOZBXGCNJ-BNOWGMLFSA-N 1 3 353.467 -0.249 20 0 FBADHO CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215571525 844551066 /nfs/dbraw/zinc/55/10/66/844551066.db2.gz PQFFZJJWKXCOEO-MCIONIFRSA-N 1 3 355.483 -0.001 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)N(C)C ZINC001215571716 844551101 /nfs/dbraw/zinc/55/11/01/844551101.db2.gz VFLMQPFDSQRXNI-QXSJWSMHSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)N(C)C ZINC001215571952 844551045 /nfs/dbraw/zinc/55/10/45/844551045.db2.gz ZWGHKOBEVLVYNP-MCIONIFRSA-N 1 3 353.467 -0.295 20 0 FBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001215680616 844553218 /nfs/dbraw/zinc/55/32/18/844553218.db2.gz FENBFLBBBNZWRB-TZMCWYRMSA-N 1 3 357.480 -0.330 20 0 FBADHO CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215680853 844553514 /nfs/dbraw/zinc/55/35/14/844553514.db2.gz MBVDYGITHUQECV-TZMCWYRMSA-N 1 3 357.480 -0.282 20 0 FBADHO C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCCCC1 ZINC001215773921 844560706 /nfs/dbraw/zinc/56/07/06/844560706.db2.gz DDNGFXADMPEQAW-HZSPNIEDSA-N 1 3 353.467 -0.118 20 0 FBADHO C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCCCC1 ZINC001215773922 844560532 /nfs/dbraw/zinc/56/05/32/844560532.db2.gz DDNGFXADMPEQAW-MGPQQGTHSA-N 1 3 353.467 -0.118 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778741 844561394 /nfs/dbraw/zinc/56/13/94/844561394.db2.gz ZWAOIWJHMDQQIU-TZMCWYRMSA-N 1 3 353.467 -0.390 20 0 FBADHO CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215861246 844566112 /nfs/dbraw/zinc/56/61/12/844566112.db2.gz CJNGFFXTVNEMLI-UKRRQHHQSA-N 1 3 350.467 -0.369 20 0 FBADHO C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1NCCS(C)(=O)=O ZINC001215861727 844566175 /nfs/dbraw/zinc/56/61/75/844566175.db2.gz MPDALFZTICOHCJ-UKRRQHHQSA-N 1 3 371.507 -0.461 20 0 FBADHO C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1NCC(=O)N(C)C ZINC001215861942 844566285 /nfs/dbraw/zinc/56/62/85/844566285.db2.gz RNBMNPZPLSCEGU-UKRRQHHQSA-N 1 3 350.467 -0.417 20 0 FBADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)C(C)C ZINC001215977503 844571222 /nfs/dbraw/zinc/57/12/22/844571222.db2.gz NNLIBKGLXAMCCP-NFAWXSAZSA-N 1 3 355.483 -0.016 20 0 FBADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)C(C)C ZINC001215977504 844571437 /nfs/dbraw/zinc/57/14/37/844571437.db2.gz NNLIBKGLXAMCCP-UMVBOHGHSA-N 1 3 355.483 -0.016 20 0 FBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215993723 844572491 /nfs/dbraw/zinc/57/24/91/844572491.db2.gz CKRCKDYRCJOYTP-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215993726 844572741 /nfs/dbraw/zinc/57/27/41/844572741.db2.gz CKRCKDYRCJOYTP-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001215994145 844572624 /nfs/dbraw/zinc/57/26/24/844572624.db2.gz ROOOSAHAPGUUJJ-TZMCWYRMSA-N 1 3 353.467 -0.247 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001215998772 844572508 /nfs/dbraw/zinc/57/25/08/844572508.db2.gz AZBQTKAONOXBLF-HUUCEWRRSA-N 1 3 360.524 -0.200 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001215999065 844572659 /nfs/dbraw/zinc/57/26/59/844572659.db2.gz NLYBCHSBSKCVOA-OWCLPIDISA-N 1 3 354.495 -0.252 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216001462 844572357 /nfs/dbraw/zinc/57/23/57/844572357.db2.gz CQMUSCGCCJDUOB-ZIAGYGMSSA-N 1 3 353.467 -0.293 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216002547 844572281 /nfs/dbraw/zinc/57/22/81/844572281.db2.gz UWUZBJSPXVZXIQ-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216002548 844572595 /nfs/dbraw/zinc/57/25/95/844572595.db2.gz UWUZBJSPXVZXIQ-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216053097 844573581 /nfs/dbraw/zinc/57/35/81/844573581.db2.gz BKALCFAVIJWFBQ-HZSPNIEDSA-N 1 3 353.467 -0.262 20 0 FBADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216053098 844573682 /nfs/dbraw/zinc/57/36/82/844573682.db2.gz BKALCFAVIJWFBQ-MGPQQGTHSA-N 1 3 353.467 -0.262 20 0 FBADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216053273 844573721 /nfs/dbraw/zinc/57/37/21/844573721.db2.gz IKAUOZPAFVGXEW-HUUCEWRRSA-N 1 3 360.524 -0.296 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053637 844573425 /nfs/dbraw/zinc/57/34/25/844573425.db2.gz SSKWUORARCPONC-ZIAGYGMSSA-N 1 3 353.467 -0.390 20 0 FBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCCS(C)(=O)=O ZINC001216090636 844574525 /nfs/dbraw/zinc/57/45/25/844574525.db2.gz LJYWJDGXBGNRRQ-UKRRQHHQSA-N 1 3 361.508 -0.422 20 0 FBADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC1CC1 ZINC001216091566 844574342 /nfs/dbraw/zinc/57/43/42/844574342.db2.gz VFNYLMDDLCXYGE-CZUORRHYSA-N 1 3 352.479 -0.188 20 0 FBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217350 844580993 /nfs/dbraw/zinc/58/09/93/844580993.db2.gz RZOGGIBCXPBMHF-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216217350 844580987 /nfs/dbraw/zinc/58/09/87/844580987.db2.gz RZOGGIBCXPBMHF-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217351 844580831 /nfs/dbraw/zinc/58/08/31/844580831.db2.gz RZOGGIBCXPBMHF-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216217351 844580826 /nfs/dbraw/zinc/58/08/26/844580826.db2.gz RZOGGIBCXPBMHF-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001216221550 844580711 /nfs/dbraw/zinc/58/07/11/844580711.db2.gz IEHBOOMNIPBGGW-TZMCWYRMSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001216221550 844580702 /nfs/dbraw/zinc/58/07/02/844580702.db2.gz IEHBOOMNIPBGGW-TZMCWYRMSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001216225995 844580399 /nfs/dbraw/zinc/58/03/99/844580399.db2.gz KERQCHOGYXTFCM-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001216225995 844580389 /nfs/dbraw/zinc/58/03/89/844580389.db2.gz KERQCHOGYXTFCM-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001216225996 844580536 /nfs/dbraw/zinc/58/05/36/844580536.db2.gz KERQCHOGYXTFCM-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001216225996 844580528 /nfs/dbraw/zinc/58/05/28/844580528.db2.gz KERQCHOGYXTFCM-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383325 844586611 /nfs/dbraw/zinc/58/66/11/844586611.db2.gz KIRLEBOXJJGQIO-HZSPNIEDSA-N 1 3 353.467 -0.390 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383325 844586606 /nfs/dbraw/zinc/58/66/06/844586606.db2.gz KIRLEBOXJJGQIO-HZSPNIEDSA-N 1 3 353.467 -0.390 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383327 844586489 /nfs/dbraw/zinc/58/64/89/844586489.db2.gz KIRLEBOXJJGQIO-MGPQQGTHSA-N 1 3 353.467 -0.390 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383327 844586482 /nfs/dbraw/zinc/58/64/82/844586482.db2.gz KIRLEBOXJJGQIO-MGPQQGTHSA-N 1 3 353.467 -0.390 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383598 844586679 /nfs/dbraw/zinc/58/66/79/844586679.db2.gz OQCCRCZFQCZXEA-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383598 844586676 /nfs/dbraw/zinc/58/66/76/844586676.db2.gz OQCCRCZFQCZXEA-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383600 844586640 /nfs/dbraw/zinc/58/66/40/844586640.db2.gz OQCCRCZFQCZXEA-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383600 844586636 /nfs/dbraw/zinc/58/66/36/844586636.db2.gz OQCCRCZFQCZXEA-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383894 844586550 /nfs/dbraw/zinc/58/65/50/844586550.db2.gz SYOCVTBGNWBNBY-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383894 844586546 /nfs/dbraw/zinc/58/65/46/844586546.db2.gz SYOCVTBGNWBNBY-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383895 844587644 /nfs/dbraw/zinc/58/76/44/844587644.db2.gz SYOCVTBGNWBNBY-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383895 844587641 /nfs/dbraw/zinc/58/76/41/844587641.db2.gz SYOCVTBGNWBNBY-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400897 844588607 /nfs/dbraw/zinc/58/86/07/844588607.db2.gz DKIANGXYECBLEZ-HUUCEWRRSA-N 1 3 358.483 -0.846 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400949 844588220 /nfs/dbraw/zinc/58/82/20/844588220.db2.gz FEXRVBLPELZPKG-HUUCEWRRSA-N 1 3 358.483 -0.846 20 0 FBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001216401321 844588307 /nfs/dbraw/zinc/58/83/07/844588307.db2.gz JXOLTUQRKJHUIJ-GDBMZVCRSA-N 1 3 354.495 -0.131 20 0 FBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)NCC1CCC1 ZINC001216401586 844588716 /nfs/dbraw/zinc/58/87/16/844588716.db2.gz NGQDPVQRWOOSBY-GDBMZVCRSA-N 1 3 354.495 -0.083 20 0 FBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)NCC(F)(F)F ZINC001216402129 844588182 /nfs/dbraw/zinc/58/81/82/844588182.db2.gz UGYCJVYDPNXDQR-VXGBXAGGSA-N 1 3 368.400 -0.320 20 0 FBADHO CCOCCNC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405724 844588820 /nfs/dbraw/zinc/58/88/20/844588820.db2.gz QNEHLYKIIVRTJB-HUUCEWRRSA-N 1 3 352.479 -0.329 20 0 FBADHO COCCCNC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405966 844588793 /nfs/dbraw/zinc/58/87/93/844588793.db2.gz UGJMQZXLPQGAAU-HUUCEWRRSA-N 1 3 352.479 -0.329 20 0 FBADHO CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405980 844588243 /nfs/dbraw/zinc/58/82/43/844588243.db2.gz UWRYWWMXCOWFTK-CHWSQXEVSA-N 1 3 351.451 -0.636 20 0 FBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216459385 844589876 /nfs/dbraw/zinc/58/98/76/844589876.db2.gz UYPMXLSQOJBVDG-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216459386 844590263 /nfs/dbraw/zinc/59/02/63/844590263.db2.gz UYPMXLSQOJBVDG-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001216498880 844590737 /nfs/dbraw/zinc/59/07/37/844590737.db2.gz ADUSSMYIXWNEOS-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC)C1 ZINC001216498881 844590895 /nfs/dbraw/zinc/59/08/95/844590895.db2.gz ADUSSMYIXWNEOS-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216502716 844590610 /nfs/dbraw/zinc/59/06/10/844590610.db2.gz IKZVUDXQJNUYRD-TZMCWYRMSA-N 1 3 353.467 -0.247 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216510905 844590503 /nfs/dbraw/zinc/59/05/03/844590503.db2.gz CWWQGEYQGSINAA-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216510905 844590497 /nfs/dbraw/zinc/59/04/97/844590497.db2.gz CWWQGEYQGSINAA-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001216510906 844590427 /nfs/dbraw/zinc/59/04/27/844590427.db2.gz CWWQGEYQGSINAA-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001216510906 844590421 /nfs/dbraw/zinc/59/04/21/844590421.db2.gz CWWQGEYQGSINAA-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001216510981 844590831 /nfs/dbraw/zinc/59/08/31/844590831.db2.gz HOEBFIMHURBIIK-HUUCEWRRSA-N 1 3 360.524 -0.200 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216511029 844590567 /nfs/dbraw/zinc/59/05/67/844590567.db2.gz IZQPCTAPCIQBSI-OWCLPIDISA-N 1 3 354.495 -0.252 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216511547 844590696 /nfs/dbraw/zinc/59/06/96/844590696.db2.gz SZFBZJJVTXACJL-ZIAGYGMSSA-N 1 3 353.467 -0.293 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216514315 844590402 /nfs/dbraw/zinc/59/04/02/844590402.db2.gz DYLNGMHGWGTEED-BZUAXINKSA-N 1 3 354.495 -0.083 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216514316 844590532 /nfs/dbraw/zinc/59/05/32/844590532.db2.gz DYLNGMHGWGTEED-OWCLPIDISA-N 1 3 354.495 -0.083 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216754302 844603361 /nfs/dbraw/zinc/60/33/61/844603361.db2.gz OQFDVDQZEPNRRA-IIAWOOMASA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216754302 844603359 /nfs/dbraw/zinc/60/33/59/844603359.db2.gz OQFDVDQZEPNRRA-IIAWOOMASA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216754303 844603328 /nfs/dbraw/zinc/60/33/28/844603328.db2.gz OQFDVDQZEPNRRA-IJEWVQPXSA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001216754303 844603324 /nfs/dbraw/zinc/60/33/24/844603324.db2.gz OQFDVDQZEPNRRA-IJEWVQPXSA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001216754331 844602921 /nfs/dbraw/zinc/60/29/21/844602921.db2.gz PMPDXNWGAYFSFR-MBNYWOFBSA-N 1 3 351.451 -0.637 20 0 FBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001216754331 844602914 /nfs/dbraw/zinc/60/29/14/844602914.db2.gz PMPDXNWGAYFSFR-MBNYWOFBSA-N 1 3 351.451 -0.637 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001216754332 844603311 /nfs/dbraw/zinc/60/33/11/844603311.db2.gz PMPDXNWGAYFSFR-YRGRVCCFSA-N 1 3 351.451 -0.637 20 0 FBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001216754332 844603309 /nfs/dbraw/zinc/60/33/09/844603309.db2.gz PMPDXNWGAYFSFR-YRGRVCCFSA-N 1 3 351.451 -0.637 20 0 FBADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754417 844603215 /nfs/dbraw/zinc/60/32/15/844603215.db2.gz TVUIXRBTEIMIMD-HZSPNIEDSA-N 1 3 353.467 -0.390 20 0 FBADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754417 844603211 /nfs/dbraw/zinc/60/32/11/844603211.db2.gz TVUIXRBTEIMIMD-HZSPNIEDSA-N 1 3 353.467 -0.390 20 0 FBADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754418 844602803 /nfs/dbraw/zinc/60/28/03/844602803.db2.gz TVUIXRBTEIMIMD-MGPQQGTHSA-N 1 3 353.467 -0.390 20 0 FBADHO CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754418 844602797 /nfs/dbraw/zinc/60/27/97/844602797.db2.gz TVUIXRBTEIMIMD-MGPQQGTHSA-N 1 3 353.467 -0.390 20 0 FBADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001216772841 844605780 /nfs/dbraw/zinc/60/57/80/844605780.db2.gz MTWDTFZQORSRCZ-ZIAGYGMSSA-N 1 3 353.467 -0.116 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834382 844611696 /nfs/dbraw/zinc/61/16/96/844611696.db2.gz PAKWCPRFXVGJMT-ZIAGYGMSSA-N 1 3 353.467 -0.246 20 0 FBADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216835819 844612270 /nfs/dbraw/zinc/61/22/70/844612270.db2.gz IRAVTTWCQJUHLT-HZSPNIEDSA-N 1 3 353.467 -0.118 20 0 FBADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216835820 844612251 /nfs/dbraw/zinc/61/22/51/844612251.db2.gz IRAVTTWCQJUHLT-MGPQQGTHSA-N 1 3 353.467 -0.118 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839134 844612810 /nfs/dbraw/zinc/61/28/10/844612810.db2.gz NOPAOHJCTMDKDF-ZIAGYGMSSA-N 1 3 353.467 -0.246 20 0 FBADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216840921 844612320 /nfs/dbraw/zinc/61/23/20/844612320.db2.gz JSTJJNUPDMBDJO-HZSPNIEDSA-N 1 3 353.467 -0.118 20 0 FBADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216840923 844612753 /nfs/dbraw/zinc/61/27/53/844612753.db2.gz JSTJJNUPDMBDJO-MGPQQGTHSA-N 1 3 353.467 -0.118 20 0 FBADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216844396 844613333 /nfs/dbraw/zinc/61/33/33/844613333.db2.gz AIGYXZAYMFUJSM-MCIONIFRSA-N 1 3 353.467 -0.247 20 0 FBADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216844397 844613454 /nfs/dbraw/zinc/61/34/54/844613454.db2.gz AIGYXZAYMFUJSM-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216844915 844613485 /nfs/dbraw/zinc/61/34/85/844613485.db2.gz OAISIRKEZLOCGY-KFWWJZLASA-N 1 3 360.524 -0.154 20 0 FBADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216844916 844613543 /nfs/dbraw/zinc/61/35/43/844613543.db2.gz OAISIRKEZLOCGY-RBSFLKMASA-N 1 3 360.524 -0.154 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001216846626 844613423 /nfs/dbraw/zinc/61/34/23/844613423.db2.gz QGPAJFPFNXKTFM-NFAWXSAZSA-N 1 3 353.467 -0.262 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001216846627 844613749 /nfs/dbraw/zinc/61/37/49/844613749.db2.gz QGPAJFPFNXKTFM-UMVBOHGHSA-N 1 3 353.467 -0.262 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001216851572 844615542 /nfs/dbraw/zinc/61/55/42/844615542.db2.gz ALJVFTUUCFTXMX-BZUAXINKSA-N 1 3 354.495 -0.084 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001216851573 844615455 /nfs/dbraw/zinc/61/54/55/844615455.db2.gz ALJVFTUUCFTXMX-OWCLPIDISA-N 1 3 354.495 -0.084 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001216851779 844615587 /nfs/dbraw/zinc/61/55/87/844615587.db2.gz IEQWSNJIMWFPGZ-HUUCEWRRSA-N 1 3 360.524 -0.201 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001216852121 844615506 /nfs/dbraw/zinc/61/55/06/844615506.db2.gz QADJXNIBHLPEAI-ZIAGYGMSSA-N 1 3 353.467 -0.295 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001216852328 844615194 /nfs/dbraw/zinc/61/51/94/844615194.db2.gz UKGUFKSLZWUCSI-OWCLPIDISA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001216852403 844615143 /nfs/dbraw/zinc/61/51/43/844615143.db2.gz YFXRWTFWGACTCE-TZMCWYRMSA-N 1 3 353.467 -0.249 20 0 FBADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC(=O)NC(N)=O ZINC001216980000 844618415 /nfs/dbraw/zinc/61/84/15/844618415.db2.gz FIGCJZNMTLWBNA-ZIAGYGMSSA-N 1 3 353.467 -0.116 20 0 FBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1COC2(C[NH2+]C2)C1 ZINC001218061750 844685337 /nfs/dbraw/zinc/68/53/37/844685337.db2.gz YEHKYWUBASEIFI-SECBINFHSA-N 1 3 352.391 -0.730 20 0 FBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1COC2(C[NH2+]C2)C1 ZINC001218061764 844685816 /nfs/dbraw/zinc/68/58/16/844685816.db2.gz YEHKYWUBASEIFI-VIFPVBQESA-N 1 3 352.391 -0.730 20 0 FBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218102338 844689131 /nfs/dbraw/zinc/68/91/31/844689131.db2.gz NQGORZBPXAIEQG-SECBINFHSA-N 1 3 368.459 -0.013 20 0 FBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218102339 844689294 /nfs/dbraw/zinc/68/92/94/844689294.db2.gz NQGORZBPXAIEQG-VIFPVBQESA-N 1 3 368.459 -0.013 20 0 FBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC[C@@H]1C[NH2+]CCCO1 ZINC001218300249 844704361 /nfs/dbraw/zinc/70/43/61/844704361.db2.gz PWOONTRVBDVPGK-JTQLQIEISA-N 1 3 354.407 -0.482 20 0 FBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC[C@H]1C[NH2+]CCCO1 ZINC001218300253 844703646 /nfs/dbraw/zinc/70/36/46/844703646.db2.gz PWOONTRVBDVPGK-SNVBAGLBSA-N 1 3 354.407 -0.482 20 0 FBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OCCO[C@H]1CC[NH2+]C1 ZINC001218389562 844707242 /nfs/dbraw/zinc/70/72/42/844707242.db2.gz ZWCKHYYMNSILRB-JTQLQIEISA-N 1 3 354.407 -0.482 20 0 FBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OCCO[C@@H]1CC[NH2+]C1 ZINC001218389563 844707132 /nfs/dbraw/zinc/70/71/32/844707132.db2.gz ZWCKHYYMNSILRB-SNVBAGLBSA-N 1 3 354.407 -0.482 20 0 FBADHO COc1nn(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218505285 844711539 /nfs/dbraw/zinc/71/15/39/844711539.db2.gz PQBFCGOUWOWHGV-AAEUAGOBSA-N 1 3 352.439 -0.186 20 0 FBADHO COC(=O)c1nc(Br)cnc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218525506 844712743 /nfs/dbraw/zinc/71/27/43/844712743.db2.gz YBRLJWPLCAQLRV-SSDOTTSWSA-N 1 3 370.207 -0.227 20 0 FBADHO COC(=O)c1nc(Br)cnc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218525565 844712764 /nfs/dbraw/zinc/71/27/64/844712764.db2.gz YBRLJWPLCAQLRV-ZETCQYMHSA-N 1 3 370.207 -0.227 20 0 FBADHO [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C34CNC4)sc2C1 ZINC001218532196 844712793 /nfs/dbraw/zinc/71/27/93/844712793.db2.gz FIANLMLJVYMOCH-BDAKNGLRSA-N 1 3 356.473 -0.326 20 0 FBADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CCS(=O)(=O)C34CNC4)sc2C1 ZINC001218532199 844712371 /nfs/dbraw/zinc/71/23/71/844712371.db2.gz FIANLMLJVYMOCH-DTWKUNHWSA-N 1 3 356.473 -0.326 20 0 FBADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C34CNC4)sc2C1 ZINC001218532201 844712457 /nfs/dbraw/zinc/71/24/57/844712457.db2.gz FIANLMLJVYMOCH-IUCAKERBSA-N 1 3 356.473 -0.326 20 0 FBADHO [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3CCS(=O)(=O)C34CNC4)sc2C1 ZINC001218532202 844712440 /nfs/dbraw/zinc/71/24/40/844712440.db2.gz FIANLMLJVYMOCH-RKDXNWHRSA-N 1 3 356.473 -0.326 20 0 FBADHO COc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])ncn1 ZINC001218536280 844713616 /nfs/dbraw/zinc/71/36/16/844713616.db2.gz RKUCYKGRXGMOPW-RYUDHWBXSA-N 1 3 350.423 -0.129 20 0 FBADHO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218552116 844713806 /nfs/dbraw/zinc/71/38/06/844713806.db2.gz NCNDTTLZNVTFMC-MRVPVSSYSA-N 1 3 355.420 -0.316 20 0 FBADHO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218552131 844714040 /nfs/dbraw/zinc/71/40/40/844714040.db2.gz NCNDTTLZNVTFMC-QMMMGPOBSA-N 1 3 355.420 -0.316 20 0 FBADHO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218556187 844715241 /nfs/dbraw/zinc/71/52/41/844715241.db2.gz WZSVVZBVSSUWIG-ANRSDYALSA-N 1 3 367.431 -0.444 20 0 FBADHO Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc(=O)[nH]1 ZINC001218565676 844715782 /nfs/dbraw/zinc/71/57/82/844715782.db2.gz ZGFCVEULYCPHJI-RYUDHWBXSA-N 1 3 350.423 -0.124 20 0 FBADHO O=C(Nc1ncnn2c(Br)ccc12)[C@H]1C[NH2+]CC12CNC2 ZINC001218567233 844715861 /nfs/dbraw/zinc/71/58/61/844715861.db2.gz PDNIXMFRIOFSMG-MRVPVSSYSA-N 1 3 351.208 -0.339 20 0 FBADHO O=C(Nc1ncnn2c(Br)ccc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001218567235 844716315 /nfs/dbraw/zinc/71/63/15/844716315.db2.gz PDNIXMFRIOFSMG-QMMMGPOBSA-N 1 3 351.208 -0.339 20 0 FBADHO COc1ncc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001218593175 844718536 /nfs/dbraw/zinc/71/85/36/844718536.db2.gz FAOWZONUOJPSTN-STQMWFEESA-N 1 3 350.423 -0.129 20 0 FBADHO COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218597595 844717881 /nfs/dbraw/zinc/71/78/81/844717881.db2.gz ZCUVXESYHABWFL-JDNHERCYSA-N 1 3 350.375 -0.275 20 0 FBADHO N=c1ccc(F)c(N)n1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218604143 844719056 /nfs/dbraw/zinc/71/90/56/844719056.db2.gz MGFAQVMUSWDDAJ-RYUDHWBXSA-N 1 3 352.414 -0.224 20 0 FBADHO Nc1cn(C(=O)[C@H]2CCNC[C@@H]2F)ccc1=[NH+]CCN1CCOCC1 ZINC001218620889 844721558 /nfs/dbraw/zinc/72/15/58/844721558.db2.gz RSFLIYAPLXKQNP-KBPBESRZSA-N 1 3 351.426 -0.109 20 0 FBADHO Nc1cn(C(=O)[C@@H]2CCNC[C@@H]2F)ccc1=[NH+]CCN1CCOCC1 ZINC001218620894 844721909 /nfs/dbraw/zinc/72/19/09/844721909.db2.gz RSFLIYAPLXKQNP-KGLIPLIRSA-N 1 3 351.426 -0.109 20 0 FBADHO Nc1cn(C(=O)[C@H]2CCNC[C@H]2F)ccc1=[NH+]CCN1CCOCC1 ZINC001218620896 844721328 /nfs/dbraw/zinc/72/13/28/844721328.db2.gz RSFLIYAPLXKQNP-UONOGXRCSA-N 1 3 351.426 -0.109 20 0 FBADHO Nc1cn(C(=O)[C@@H]2CCNC[C@H]2F)ccc1=[NH+]CCN1CCOCC1 ZINC001218620897 844721932 /nfs/dbraw/zinc/72/19/32/844721932.db2.gz RSFLIYAPLXKQNP-ZIAGYGMSSA-N 1 3 351.426 -0.109 20 0 FBADHO N=c1c(N)cnc(Cl)n1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218622595 844721228 /nfs/dbraw/zinc/72/12/28/844721228.db2.gz UERJVTPGHYQYFB-ONGXEEELSA-N 1 3 369.857 -0.314 20 0 FBADHO Nc1cc[nH]c(=O)c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218679132 844725523 /nfs/dbraw/zinc/72/55/23/844725523.db2.gz OGIJJHZVQHKVHV-RYUDHWBXSA-N 1 3 350.423 -0.245 20 0 FBADHO COCn1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001218701252 844728663 /nfs/dbraw/zinc/72/86/63/844728663.db2.gz UBRVLMJGLGAGNQ-KBPBESRZSA-N 1 3 352.439 -0.127 20 0 FBADHO NC(=O)c1cnoc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218702847 844728709 /nfs/dbraw/zinc/72/87/09/844728709.db2.gz XPUMSCFMSKPYEX-QWRGUYRKSA-N 1 3 352.395 -0.841 20 0 FBADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001218727465 844730384 /nfs/dbraw/zinc/73/03/84/844730384.db2.gz MXBNQYVXEJKRMF-CHWSQXEVSA-N 1 3 366.443 -0.463 20 0 FBADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001218727466 844730126 /nfs/dbraw/zinc/73/01/26/844730126.db2.gz MXBNQYVXEJKRMF-OLZOCXBDSA-N 1 3 366.443 -0.463 20 0 FBADHO CN(C)c1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])[nH]n1 ZINC001218743048 844731648 /nfs/dbraw/zinc/73/16/48/844731648.db2.gz MRYJMARTVDOUQO-RYUDHWBXSA-N 1 3 351.455 -0.139 20 0 FBADHO CC(C)[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218775585 844734923 /nfs/dbraw/zinc/73/49/23/844734923.db2.gz DATJIVSRGAVQQB-FOGDFJRCSA-N 1 3 356.858 -0.387 20 0 FBADHO CC(C)[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218775587 844734666 /nfs/dbraw/zinc/73/46/66/844734666.db2.gz DATJIVSRGAVQQB-NHCYSSNCSA-N 1 3 356.858 -0.387 20 0 FBADHO CC(C)[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218775589 844734840 /nfs/dbraw/zinc/73/48/40/844734840.db2.gz DATJIVSRGAVQQB-SCVCMEIPSA-N 1 3 356.858 -0.387 20 0 FBADHO CC(C)[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218775591 844734464 /nfs/dbraw/zinc/73/44/64/844734464.db2.gz DATJIVSRGAVQQB-UMNHJUIQSA-N 1 3 356.858 -0.387 20 0 FBADHO Nc1ncn(C(=O)C2(N)CC(F)C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777649 844735669 /nfs/dbraw/zinc/73/56/69/844735669.db2.gz FTPVMPCNQHKYQR-DZIUIEAZSA-N 1 3 372.832 -0.541 20 0 FBADHO Nc1ncn(C(=O)C2(N)CC(F)C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777655 844735895 /nfs/dbraw/zinc/73/58/95/844735895.db2.gz FTPVMPCNQHKYQR-HFXIDOFESA-N 1 3 372.832 -0.541 20 0 FBADHO Nc1ncn(C(=O)C2(N)CC(F)C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777659 844735838 /nfs/dbraw/zinc/73/58/38/844735838.db2.gz FTPVMPCNQHKYQR-JOFVHKCDSA-N 1 3 372.832 -0.541 20 0 FBADHO Nc1ncn(C(=O)C2(N)CC(F)C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777663 844735910 /nfs/dbraw/zinc/73/59/10/844735910.db2.gz FTPVMPCNQHKYQR-RAWPJBQPSA-N 1 3 372.832 -0.541 20 0 FBADHO CCC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778147 844735852 /nfs/dbraw/zinc/73/58/52/844735852.db2.gz KGZMZIMCGZUGBO-DCAQKATOSA-N 1 3 356.858 -0.243 20 0 FBADHO CCC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778148 844735506 /nfs/dbraw/zinc/73/55/06/844735506.db2.gz KGZMZIMCGZUGBO-GARJFASQSA-N 1 3 356.858 -0.243 20 0 FBADHO CCC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778149 844735953 /nfs/dbraw/zinc/73/59/53/844735953.db2.gz KGZMZIMCGZUGBO-OUAUKWLOSA-N 1 3 356.858 -0.243 20 0 FBADHO CCC[C@H](N)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778150 844735412 /nfs/dbraw/zinc/73/54/12/844735412.db2.gz KGZMZIMCGZUGBO-VWYCJHECSA-N 1 3 356.858 -0.243 20 0 FBADHO CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001218890397 844745309 /nfs/dbraw/zinc/74/53/09/844745309.db2.gz IAAYDHYKRPDUEV-AWEZNQCLSA-N 1 3 352.460 -0.474 20 0 FBADHO CNS(=O)(=O)CCc1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001218890400 844745178 /nfs/dbraw/zinc/74/51/78/844745178.db2.gz IAAYDHYKRPDUEV-CQSZACIVSA-N 1 3 352.460 -0.474 20 0 FBADHO CNS(=O)(=O)CCc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218891487 844744872 /nfs/dbraw/zinc/74/48/72/844744872.db2.gz OWVIJSCUSCPPSG-RHSMWYFYSA-N 1 3 366.487 -0.084 20 0 FBADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]21 ZINC001218970599 844752351 /nfs/dbraw/zinc/75/23/51/844752351.db2.gz LPWUPNWYXKRQHB-IXDOHACOSA-N 1 3 355.479 -0.097 20 0 FBADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]21 ZINC001218970600 844752206 /nfs/dbraw/zinc/75/22/06/844752206.db2.gz LPWUPNWYXKRQHB-YESZJQIVSA-N 1 3 355.479 -0.097 20 0 FBADHO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033880 844761373 /nfs/dbraw/zinc/76/13/73/844761373.db2.gz XLHSGBWSRFTHNF-IXDOHACOSA-N 1 3 355.479 -0.097 20 0 FBADHO CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033880 844761368 /nfs/dbraw/zinc/76/13/68/844761368.db2.gz XLHSGBWSRFTHNF-IXDOHACOSA-N 1 3 355.479 -0.097 20 0 FBADHO CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033881 844761507 /nfs/dbraw/zinc/76/15/07/844761507.db2.gz XLHSGBWSRFTHNF-YESZJQIVSA-N 1 3 355.479 -0.097 20 0 FBADHO CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033881 844761501 /nfs/dbraw/zinc/76/15/01/844761501.db2.gz XLHSGBWSRFTHNF-YESZJQIVSA-N 1 3 355.479 -0.097 20 0 FBADHO O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)[C@@H]1CNCC12C[NH2+]C2 ZINC001219092166 844776227 /nfs/dbraw/zinc/77/62/27/844776227.db2.gz BJRPFFCSMAMJHS-AWEZNQCLSA-N 1 3 353.444 -0.410 20 0 FBADHO O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219092166 844776220 /nfs/dbraw/zinc/77/62/20/844776220.db2.gz BJRPFFCSMAMJHS-AWEZNQCLSA-N 1 3 353.444 -0.410 20 0 FBADHO O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)[C@H]1CNCC12C[NH2+]C2 ZINC001219092167 844776111 /nfs/dbraw/zinc/77/61/11/844776111.db2.gz BJRPFFCSMAMJHS-CQSZACIVSA-N 1 3 353.444 -0.410 20 0 FBADHO O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219092167 844776103 /nfs/dbraw/zinc/77/61/03/844776103.db2.gz BJRPFFCSMAMJHS-CQSZACIVSA-N 1 3 353.444 -0.410 20 0 FBADHO O=C(Nc1ccc(S(=O)(=O)CCCO)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219092547 844777045 /nfs/dbraw/zinc/77/70/45/844777045.db2.gz LBCPCRRJCDJEDF-CXAGYDPISA-N 1 3 367.471 -0.020 20 0 FBADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219115449 844783628 /nfs/dbraw/zinc/78/36/28/844783628.db2.gz AZOJEIHRCMHTAC-HNNXBMFYSA-N 1 3 364.471 -0.189 20 0 FBADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219115453 844783669 /nfs/dbraw/zinc/78/36/69/844783669.db2.gz AZOJEIHRCMHTAC-OAHLLOKOSA-N 1 3 364.471 -0.189 20 0 FBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219537306 844902513 /nfs/dbraw/zinc/90/25/13/844902513.db2.gz KWTVGAWOCDPZAC-GYSYKLTISA-N 1 3 363.439 -0.150 20 0 FBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219537307 844902629 /nfs/dbraw/zinc/90/26/29/844902629.db2.gz KWTVGAWOCDPZAC-JTNHKYCSSA-N 1 3 363.439 -0.150 20 0 FBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219537308 844902702 /nfs/dbraw/zinc/90/27/02/844902702.db2.gz KWTVGAWOCDPZAC-SUNKGSAMSA-N 1 3 363.439 -0.150 20 0 FBADHO O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219537309 844902495 /nfs/dbraw/zinc/90/24/95/844902495.db2.gz KWTVGAWOCDPZAC-UHIISALHSA-N 1 3 363.439 -0.150 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)c1ccco1 ZINC001219603940 844925237 /nfs/dbraw/zinc/92/52/37/844925237.db2.gz HDZURFDLOUWLTA-IHRRRGAJSA-N 1 3 352.435 -0.124 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)c1ccco1 ZINC001219603941 844924948 /nfs/dbraw/zinc/92/49/48/844924948.db2.gz HDZURFDLOUWLTA-MELADBBJSA-N 1 3 352.435 -0.124 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)COC1(C)C ZINC001219612756 844928304 /nfs/dbraw/zinc/92/83/04/844928304.db2.gz DKHASDKNSGVKIH-MWODSPESSA-N 1 3 352.357 -0.292 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)COC1(C)C ZINC001219612757 844928099 /nfs/dbraw/zinc/92/80/99/844928099.db2.gz DKHASDKNSGVKIH-RVBZMBCESA-N 1 3 352.357 -0.292 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCN1CCCCO1 ZINC001219632669 844939010 /nfs/dbraw/zinc/93/90/10/844939010.db2.gz PVGHTMPQTKTGKW-GJZGRUSLSA-N 1 3 355.483 -0.423 20 0 FBADHO Cn1cnc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001219633858 844938515 /nfs/dbraw/zinc/93/85/15/844938515.db2.gz GKNABSWOKPTOJK-GJZGRUSLSA-N 1 3 350.467 -0.474 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697620 844959344 /nfs/dbraw/zinc/95/93/44/844959344.db2.gz VVURUCCKXOBCPC-AVGNSLFASA-N 1 3 360.524 -0.562 20 0 FBADHO Nc1nc(=O)[nH]cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219702320 844959664 /nfs/dbraw/zinc/95/96/64/844959664.db2.gz ZKBSBZNGKLQUKR-ONGXEEELSA-N 1 3 351.411 -0.850 20 0 FBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720613 844964061 /nfs/dbraw/zinc/96/40/61/844964061.db2.gz NPHDZAKGDWPPOX-FIQHERPVSA-N 1 3 364.537 -0.853 20 0 FBADHO N[C@@H](CC(=O)OC1CCCCC1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764332 844983679 /nfs/dbraw/zinc/98/36/79/844983679.db2.gz DCOCYMMOQVGDNG-YCPHGPKFSA-N 1 3 352.479 -0.010 20 0 FBADHO N[C@@H](CC(=O)OC1CCCCC1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764332 844983673 /nfs/dbraw/zinc/98/36/73/844983673.db2.gz DCOCYMMOQVGDNG-YCPHGPKFSA-N 1 3 352.479 -0.010 20 0 FBADHO N[C@@H](CC(=O)OC1CCCCC1)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764332 844983666 /nfs/dbraw/zinc/98/36/66/844983666.db2.gz DCOCYMMOQVGDNG-YCPHGPKFSA-N 1 3 352.479 -0.010 20 0 FBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768886 844984946 /nfs/dbraw/zinc/98/49/46/844984946.db2.gz QHVJFCZEJNEYAE-BLLLJJGKSA-N 1 3 352.414 -0.478 20 0 FBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768887 844984534 /nfs/dbraw/zinc/98/45/34/844984534.db2.gz QHVJFCZEJNEYAE-LRDDRELGSA-N 1 3 352.414 -0.478 20 0 FBADHO O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219787957 844990354 /nfs/dbraw/zinc/99/03/54/844990354.db2.gz NUJZCFAKUXNHKD-DZGCQCFKSA-N 1 3 366.487 -0.510 20 0 FBADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219787958 844991481 /nfs/dbraw/zinc/99/14/81/844991481.db2.gz NUJZCFAKUXNHKD-HIFRSBDPSA-N 1 3 366.487 -0.510 20 0 FBADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219787960 844992153 /nfs/dbraw/zinc/99/21/53/844992153.db2.gz NUJZCFAKUXNHKD-UKRRQHHQSA-N 1 3 366.487 -0.510 20 0 FBADHO O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219787962 844991457 /nfs/dbraw/zinc/99/14/57/844991457.db2.gz NUJZCFAKUXNHKD-ZFWWWQNUSA-N 1 3 366.487 -0.510 20 0 FBADHO O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219794100 844992793 /nfs/dbraw/zinc/99/27/93/844992793.db2.gz QNKAFWXZXPGCAZ-HNNXBMFYSA-N 1 3 370.519 -0.904 20 0 FBADHO O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219794101 844993164 /nfs/dbraw/zinc/99/31/64/844993164.db2.gz QNKAFWXZXPGCAZ-OAHLLOKOSA-N 1 3 370.519 -0.904 20 0 FBADHO CC(=O)NCSC[C@H](N)C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219795479 844994695 /nfs/dbraw/zinc/99/46/95/844994695.db2.gz AMYJEOMDHXBCLP-HNNXBMFYSA-N 1 3 357.524 -0.527 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)COC1(C)C ZINC001219803009 844998946 /nfs/dbraw/zinc/99/89/46/844998946.db2.gz IOHSCTPKIOKDJX-AVGNSLFASA-N 1 3 354.451 -0.818 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)COC1(C)C ZINC001219803010 844998955 /nfs/dbraw/zinc/99/89/55/844998955.db2.gz IOHSCTPKIOKDJX-XQQFMLRXSA-N 1 3 354.451 -0.818 20 0 FBADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811564 845003515 /nfs/dbraw/zinc/00/35/15/845003515.db2.gz VITSKBYZEFGIDM-NSHDSACASA-N 1 3 353.423 -0.805 20 0 FBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838400 845016272 /nfs/dbraw/zinc/01/62/72/845016272.db2.gz PXDINTZJUMHFQK-HLLBOEOZSA-N 1 3 356.467 -0.869 20 0 FBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838401 845016437 /nfs/dbraw/zinc/01/64/37/845016437.db2.gz PXDINTZJUMHFQK-VYDXJSESSA-N 1 3 356.467 -0.869 20 0 FBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838402 845016569 /nfs/dbraw/zinc/01/65/69/845016569.db2.gz PXDINTZJUMHFQK-YQQAZPJKSA-N 1 3 356.467 -0.869 20 0 FBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838403 845016761 /nfs/dbraw/zinc/01/67/61/845016761.db2.gz PXDINTZJUMHFQK-ZOBUZTSGSA-N 1 3 356.467 -0.869 20 0 FBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219847672 845022392 /nfs/dbraw/zinc/02/23/92/845022392.db2.gz OPYXTVRSBWLTNG-XDQVBPFNSA-N 1 3 357.476 -0.964 20 0 FBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219847673 845022770 /nfs/dbraw/zinc/02/27/70/845022770.db2.gz OPYXTVRSBWLTNG-ZOBORPQBSA-N 1 3 357.476 -0.964 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)COC1(C)C ZINC001219852054 845025691 /nfs/dbraw/zinc/02/56/91/845025691.db2.gz KOAPJWRXWXGVBL-HTVCTNPSSA-N 1 3 354.451 -0.962 20 0 FBADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854797 845027005 /nfs/dbraw/zinc/02/70/05/845027005.db2.gz VWAKHMPTGFHMIX-OLMNGRFOSA-N 1 3 354.495 -0.006 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856586 845027217 /nfs/dbraw/zinc/02/72/17/845027217.db2.gz SNSYSTBIHHDFKN-HGPDSQILSA-N 1 3 372.535 -0.299 20 0 FBADHO CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219880397 845038897 /nfs/dbraw/zinc/03/88/97/845038897.db2.gz AMWVOWVXWNGGTI-IHRRRGAJSA-N 1 3 356.467 -0.110 20 0 FBADHO CCOC(=O)CC(=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219882421 845039815 /nfs/dbraw/zinc/03/98/15/845039815.db2.gz GTPRSZYTTDNZCK-RYUDHWBXSA-N 1 3 355.439 -0.520 20 0 FBADHO COCCn1c2c(ccc1=O)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001219899328 845049948 /nfs/dbraw/zinc/04/99/48/845049948.db2.gz USRWFPSBGCRBCL-CABCVRRESA-N 1 3 350.463 -0.076 20 0 FBADHO COCCn1c2c(ccc1=O)C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001219899329 845049156 /nfs/dbraw/zinc/04/91/56/845049156.db2.gz USRWFPSBGCRBCL-GJZGRUSLSA-N 1 3 350.463 -0.076 20 0 FBADHO COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001219899366 845052043 /nfs/dbraw/zinc/05/20/43/845052043.db2.gz VPWSHGCJQXADIQ-KBPBESRZSA-N 1 3 368.503 -0.513 20 0 FBADHO COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001219899367 845051612 /nfs/dbraw/zinc/05/16/12/845051612.db2.gz VPWSHGCJQXADIQ-KGLIPLIRSA-N 1 3 368.503 -0.513 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902810 845051000 /nfs/dbraw/zinc/05/10/00/845051000.db2.gz KKABAXZGPZTLNA-KFWWJZLASA-N 1 3 354.495 -0.206 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902810 845050988 /nfs/dbraw/zinc/05/09/88/845050988.db2.gz KKABAXZGPZTLNA-KFWWJZLASA-N 1 3 354.495 -0.206 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902811 845051857 /nfs/dbraw/zinc/05/18/57/845051857.db2.gz KKABAXZGPZTLNA-ZNMIVQPWSA-N 1 3 354.495 -0.206 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219902811 845051843 /nfs/dbraw/zinc/05/18/43/845051843.db2.gz KKABAXZGPZTLNA-ZNMIVQPWSA-N 1 3 354.495 -0.206 20 0 FBADHO Cc1nccn1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219934772 845065749 /nfs/dbraw/zinc/06/57/49/845065749.db2.gz MHARLAFUMIWOLY-GJZGRUSLSA-N 1 3 350.467 -0.245 20 0 FBADHO CS(=O)(=O)N(C(=O)CN1CCCC[C@H](N)C1=O)c1ccc(C[NH3+])cc1 ZINC001219938827 845066893 /nfs/dbraw/zinc/06/68/93/845066893.db2.gz GKVSLFPEZDALTO-AWEZNQCLSA-N 1 3 368.459 -0.222 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939104 845067167 /nfs/dbraw/zinc/06/71/67/845067167.db2.gz RDQNSJPUEOQGIO-NHYWBVRUSA-N 1 3 370.475 -0.073 20 0 FBADHO Cc1c[nH]c(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001219952281 845072023 /nfs/dbraw/zinc/07/20/23/845072023.db2.gz QYSVXZHDDJUYIS-KBPBESRZSA-N 1 3 350.467 -0.176 20 0 FBADHO CCn1c(N)c(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(=O)n(CC)c1=O ZINC001219971803 845082704 /nfs/dbraw/zinc/08/27/04/845082704.db2.gz BQZGKIYQYIIKPU-NSHDSACASA-N 1 3 354.455 -0.370 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC1(CO)CCOCC1 ZINC001220018631 845100462 /nfs/dbraw/zinc/10/04/62/845100462.db2.gz LLGNCPAGBHUDKU-KBPBESRZSA-N 1 3 356.467 -0.909 20 0 FBADHO CC(C)[C@](C)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001220023294 845102134 /nfs/dbraw/zinc/10/21/34/845102134.db2.gz ULUBGRMKGYJCDW-DCGLDWPTSA-N 1 3 355.483 -0.550 20 0 FBADHO CC(C)[C@@](C)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001220023295 845102118 /nfs/dbraw/zinc/10/21/18/845102118.db2.gz ULUBGRMKGYJCDW-GDZNZVCISA-N 1 3 355.483 -0.550 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)COC1(C)C ZINC001220025193 845103479 /nfs/dbraw/zinc/10/34/79/845103479.db2.gz JRIGSYHICWGSLD-QXEWZRGKSA-N 1 3 367.475 -0.204 20 0 FBADHO COCCCCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034534 845106395 /nfs/dbraw/zinc/10/63/95/845106395.db2.gz SLMKEMPULUNPKL-OWQJAQGESA-N 1 3 353.463 -0.563 20 0 FBADHO COCCCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034534 845106383 /nfs/dbraw/zinc/10/63/83/845106383.db2.gz SLMKEMPULUNPKL-OWQJAQGESA-N 1 3 353.463 -0.563 20 0 FBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034535 845105800 /nfs/dbraw/zinc/10/58/00/845105800.db2.gz SLMKEMPULUNPKL-PLQZLIEUSA-N 1 3 353.463 -0.563 20 0 FBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034535 845105798 /nfs/dbraw/zinc/10/57/98/845105798.db2.gz SLMKEMPULUNPKL-PLQZLIEUSA-N 1 3 353.463 -0.563 20 0 FBADHO COc1ccc(C[C@@H](C)NC(=O)[C@@H](N)CCC[NH3+])cc1S(N)(=O)=O ZINC001220041219 845107430 /nfs/dbraw/zinc/10/74/30/845107430.db2.gz CPHQGEQXILYRMM-PWSUYJOCSA-N 1 3 358.464 -0.544 20 0 FBADHO COc1ccc(C[C@@H](C)NC(=O)[C@H](N)CCC[NH3+])cc1S(N)(=O)=O ZINC001220041220 845107524 /nfs/dbraw/zinc/10/75/24/845107524.db2.gz CPHQGEQXILYRMM-ZYHUDNBSSA-N 1 3 358.464 -0.544 20 0 FBADHO CCOC(=O)C(=CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C(=O)OCC ZINC001220041530 845107510 /nfs/dbraw/zinc/10/75/10/845107510.db2.gz PQLHJZQGGQTQBP-CYBMUJFWSA-N 1 3 353.419 -0.013 20 0 FBADHO CCOC(=O)C(=CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCC ZINC001220041530 845107504 /nfs/dbraw/zinc/10/75/04/845107504.db2.gz PQLHJZQGGQTQBP-CYBMUJFWSA-N 1 3 353.419 -0.013 20 0 FBADHO CCOC(=O)C(=CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C(=O)OCC ZINC001220041531 845107202 /nfs/dbraw/zinc/10/72/02/845107202.db2.gz PQLHJZQGGQTQBP-ZDUSSCGKSA-N 1 3 353.419 -0.013 20 0 FBADHO CCOC(=O)C(=CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCC ZINC001220041531 845107197 /nfs/dbraw/zinc/10/71/97/845107197.db2.gz PQLHJZQGGQTQBP-ZDUSSCGKSA-N 1 3 353.419 -0.013 20 0 FBADHO COc1ccc(C[C@@H](C)NC(=O)[C@@H](N)CCCC[NH3+])cc1S(N)(=O)=O ZINC001220041654 845107181 /nfs/dbraw/zinc/10/71/81/845107181.db2.gz VLNSTHKKWMEQND-YPMHNXCESA-N 1 3 372.491 -0.154 20 0 FBADHO C[NH2+]CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001220055926 845112026 /nfs/dbraw/zinc/11/20/26/845112026.db2.gz IGYXPEQNLIRMHF-IHRRRGAJSA-N 1 3 355.483 -0.809 20 0 FBADHO CCOC(=O)C(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220064182 845115076 /nfs/dbraw/zinc/11/50/76/845115076.db2.gz UYSPHWPHQVXBDF-STQMWFEESA-N 1 3 356.467 -0.108 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220105259 845133808 /nfs/dbraw/zinc/13/38/08/845133808.db2.gz YPXKZRYRCZZBID-AWEZNQCLSA-N 1 3 350.419 -0.582 20 0 FBADHO Cc1cnc(=O)[nH]c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220122899 845141421 /nfs/dbraw/zinc/14/14/21/845141421.db2.gz ODFXZEHOMJJIPR-RYUDHWBXSA-N 1 3 350.423 -0.124 20 0 FBADHO CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001220141632 845147913 /nfs/dbraw/zinc/14/79/13/845147913.db2.gz OUPMNBUWQOCUFN-XUXIUFHCSA-N 1 3 374.507 -0.875 20 0 FBADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220141649 845147875 /nfs/dbraw/zinc/14/78/75/845147875.db2.gz PPXAZUAVMFOHJF-LJISPDSOSA-N 1 3 356.467 -0.646 20 0 FBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001220162156 845150637 /nfs/dbraw/zinc/15/06/37/845150637.db2.gz IEFDTLYUMDYHKZ-APNQJHFZSA-N 1 3 353.467 -0.878 20 0 FBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001220162157 845150598 /nfs/dbraw/zinc/15/05/98/845150598.db2.gz IEFDTLYUMDYHKZ-JRATXPSKSA-N 1 3 353.467 -0.878 20 0 FBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001220162158 845149829 /nfs/dbraw/zinc/14/98/29/845149829.db2.gz IEFDTLYUMDYHKZ-SFDCBXKLSA-N 1 3 353.467 -0.878 20 0 FBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001220162159 845150396 /nfs/dbraw/zinc/15/03/96/845150396.db2.gz IEFDTLYUMDYHKZ-ZBYUQBLASA-N 1 3 353.467 -0.878 20 0 FBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001220230333 845172027 /nfs/dbraw/zinc/17/20/27/845172027.db2.gz BHSFWTTVTWXOGK-KFWWJZLASA-N 1 3 352.479 -0.594 20 0 FBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCNC(=O)CC3)C[C@@H]2O)CC1 ZINC001220230334 845172409 /nfs/dbraw/zinc/17/24/09/845172409.db2.gz BHSFWTTVTWXOGK-ZNMIVQPWSA-N 1 3 352.479 -0.594 20 0 FBADHO CCOC(=O)CC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(=O)OCC ZINC001220231134 845172063 /nfs/dbraw/zinc/17/20/63/845172063.db2.gz VUXZIKLJUZVDSK-IIYDPXPESA-N 1 3 355.435 -0.423 20 0 FBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001220237910 845174678 /nfs/dbraw/zinc/17/46/78/845174678.db2.gz HOBDXGPRUIRBDF-CVEARBPZSA-N 1 3 352.483 -0.049 20 0 FBADHO CN1C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1=O ZINC001220246152 845177145 /nfs/dbraw/zinc/17/71/45/845177145.db2.gz ZTNUCBMVVOIIPA-IHRRRGAJSA-N 1 3 353.467 -0.972 20 0 FBADHO CN1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CC1=O ZINC001220246153 845177753 /nfs/dbraw/zinc/17/77/53/845177753.db2.gz ZTNUCBMVVOIIPA-RDBSUJKOSA-N 1 3 353.467 -0.972 20 0 FBADHO CC1(C)OCC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])CO1 ZINC001220270984 845182652 /nfs/dbraw/zinc/18/26/52/845182652.db2.gz OMSSIXSGPJWXLC-KBPBESRZSA-N 1 3 356.467 -0.299 20 0 FBADHO Cn1cc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001220276981 845185496 /nfs/dbraw/zinc/18/54/96/845185496.db2.gz VVMZWLLBZLJCHI-GJZGRUSLSA-N 1 3 350.467 -0.474 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCN2CCC[N@@H+](C)CC2)COC1(C)C ZINC001220307122 845193493 /nfs/dbraw/zinc/19/34/93/845193493.db2.gz SFLZWPKMXVUNFM-KBPBESRZSA-N 1 3 355.483 -0.949 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCCN2CCC[N@H+](C)CC2)COC1(C)C ZINC001220307122 845193485 /nfs/dbraw/zinc/19/34/85/845193485.db2.gz SFLZWPKMXVUNFM-KBPBESRZSA-N 1 3 355.483 -0.949 20 0 FBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311737 845196398 /nfs/dbraw/zinc/19/63/98/845196398.db2.gz QLUYCZUXYHJLQS-STQMWFEESA-N 1 3 350.467 -0.129 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)COC1(C)C ZINC001220320790 845199934 /nfs/dbraw/zinc/19/99/34/845199934.db2.gz PMJATAXHCHDQAH-LKQDWFRTSA-N 1 3 354.451 -0.676 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)COC1(C)C ZINC001220320791 845200617 /nfs/dbraw/zinc/20/06/17/845200617.db2.gz PMJATAXHCHDQAH-MRHIQRDNSA-N 1 3 354.451 -0.676 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)COC1(C)C ZINC001220320792 845199912 /nfs/dbraw/zinc/19/99/12/845199912.db2.gz PMJATAXHCHDQAH-NEULZYRMSA-N 1 3 354.451 -0.676 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)COC1(C)C ZINC001220320793 845200915 /nfs/dbraw/zinc/20/09/15/845200915.db2.gz PMJATAXHCHDQAH-PFHKOEEOSA-N 1 3 354.451 -0.676 20 0 FBADHO COC(=O)C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(=O)OC(C)(C)C ZINC001220379377 845222718 /nfs/dbraw/zinc/22/27/18/845222718.db2.gz RTUAYWMHNKGQQK-BWACUDIHSA-N 1 3 355.435 -0.425 20 0 FBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220390316 845227750 /nfs/dbraw/zinc/22/77/50/845227750.db2.gz XXALGHKTKUUBDA-HNNXBMFYSA-N 1 3 350.467 -0.011 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433580 845243271 /nfs/dbraw/zinc/24/32/71/845243271.db2.gz CLJZGCHADVCDHM-HNNXBMFYSA-N 1 3 370.475 -0.610 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433581 845243440 /nfs/dbraw/zinc/24/34/40/845243440.db2.gz CLJZGCHADVCDHM-OAHLLOKOSA-N 1 3 370.475 -0.610 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447718 845249277 /nfs/dbraw/zinc/24/92/77/845249277.db2.gz ODLUJEWKOBIRHA-DCAQKATOSA-N 1 3 354.373 -0.527 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(F)(F)F ZINC001220447723 845249963 /nfs/dbraw/zinc/24/99/63/845249963.db2.gz ODLUJEWKOBIRHA-GARJFASQSA-N 1 3 354.373 -0.527 20 0 FBADHO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220456101 845251228 /nfs/dbraw/zinc/25/12/28/845251228.db2.gz BUEURUXMBIYSEN-KBPBESRZSA-N 1 3 355.460 -0.120 20 0 FBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481404 845264729 /nfs/dbraw/zinc/26/47/29/845264729.db2.gz GLSCYNDOUTXIDZ-CNUKPYSBSA-N 1 3 358.483 -0.295 20 0 FBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481405 845264824 /nfs/dbraw/zinc/26/48/24/845264824.db2.gz GLSCYNDOUTXIDZ-REVBEMBVSA-N 1 3 358.483 -0.295 20 0 FBADHO C=C(N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220507196 845274566 /nfs/dbraw/zinc/27/45/66/845274566.db2.gz UFPKWMFPUGYNPG-IICXDKKESA-N 1 3 358.483 -0.246 20 0 FBADHO C=C(N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220507197 845274264 /nfs/dbraw/zinc/27/42/64/845274264.db2.gz UFPKWMFPUGYNPG-RDUHTLEXSA-N 1 3 358.483 -0.246 20 0 FBADHO C=C(N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220507198 845275155 /nfs/dbraw/zinc/27/51/55/845275155.db2.gz UFPKWMFPUGYNPG-UNPMEBSKSA-N 1 3 358.483 -0.246 20 0 FBADHO C=C(N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220507199 845274048 /nfs/dbraw/zinc/27/40/48/845274048.db2.gz UFPKWMFPUGYNPG-YOPIWALVSA-N 1 3 358.483 -0.246 20 0 FBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220511475 845276159 /nfs/dbraw/zinc/27/61/59/845276159.db2.gz YRRVRSUVCFAVCF-JQWIXIFHSA-N 1 3 355.483 -0.539 20 0 FBADHO COCCOCCOCCOCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220512224 845277001 /nfs/dbraw/zinc/27/70/01/845277001.db2.gz IBPOKQIJIRUXBQ-INIZCTEOSA-N 1 3 363.499 -0.142 20 0 FBADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001220516578 845279181 /nfs/dbraw/zinc/27/91/81/845279181.db2.gz YUFLZZIUOOXYGV-AWEZNQCLSA-N 1 3 350.467 -0.684 20 0 FBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCN(C)CC[NH3+] ZINC001220517451 845278415 /nfs/dbraw/zinc/27/84/15/845278415.db2.gz LYMGKZDGUXWRAV-IHRRRGAJSA-N 1 3 361.556 -0.396 20 0 FBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CCNC1 ZINC001220521729 845280993 /nfs/dbraw/zinc/28/09/93/845280993.db2.gz MLYFZHLTVWYVJZ-GFCCVEGCSA-N 1 3 350.419 -0.971 20 0 FBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CCNC1 ZINC001220521730 845280668 /nfs/dbraw/zinc/28/06/68/845280668.db2.gz MLYFZHLTVWYVJZ-LBPRGKRZSA-N 1 3 350.419 -0.971 20 0 FBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CCNC1 ZINC001220522002 845280900 /nfs/dbraw/zinc/28/09/00/845280900.db2.gz XAABDBYDPYYQFD-KBPBESRZSA-N 1 3 350.463 -0.013 20 0 FBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CCNC1 ZINC001220522003 845280544 /nfs/dbraw/zinc/28/05/44/845280544.db2.gz XAABDBYDPYYQFD-KGLIPLIRSA-N 1 3 350.463 -0.013 20 0 FBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CCNC1 ZINC001220522004 845280143 /nfs/dbraw/zinc/28/01/43/845280143.db2.gz XAABDBYDPYYQFD-UONOGXRCSA-N 1 3 350.463 -0.013 20 0 FBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CCNC1 ZINC001220522005 845280119 /nfs/dbraw/zinc/28/01/19/845280119.db2.gz XAABDBYDPYYQFD-ZIAGYGMSSA-N 1 3 350.463 -0.013 20 0 FBADHO CCOC(=O)C1=C(NC(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)CCNC1 ZINC001220522718 845280307 /nfs/dbraw/zinc/28/03/07/845280307.db2.gz DIHXZFFECANONU-AWEZNQCLSA-N 1 3 350.463 -0.013 20 0 FBADHO CCOC(=O)C1=C(NC(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)CCNC1 ZINC001220522778 845280778 /nfs/dbraw/zinc/28/07/78/845280778.db2.gz DIHXZFFECANONU-CQSZACIVSA-N 1 3 350.463 -0.013 20 0 FBADHO C[C@@H]1[C@H]2CCN1C[C@H](NC(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001220574544 845304616 /nfs/dbraw/zinc/30/46/16/845304616.db2.gz AYXXPTWPXIMNJV-BARDWOONSA-N 1 3 355.504 0.000 20 0 FBADHO CN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1=O ZINC001220590255 845311264 /nfs/dbraw/zinc/31/12/64/845311264.db2.gz JZYCTTQTQJTLJJ-IHRRRGAJSA-N 1 3 353.467 -0.829 20 0 FBADHO [NH3+]C[C@@H](NC(=O)[C@H]1COC2(CNC2)CN1)c1ccc(Br)cc1 ZINC001220607379 845317332 /nfs/dbraw/zinc/31/73/32/845317332.db2.gz LFTMUZAEAQODLG-CHWSQXEVSA-N 1 3 369.263 -0.105 20 0 FBADHO [NH3+]C[C@@H](NC(=O)[C@@H]1COC2(CNC2)CN1)c1ccc(Br)cc1 ZINC001220607380 845317248 /nfs/dbraw/zinc/31/72/48/845317248.db2.gz LFTMUZAEAQODLG-OLZOCXBDSA-N 1 3 369.263 -0.105 20 0 FBADHO [NH3+]C[C@H](NC(=O)[C@H]1COC2(CNC2)CN1)c1ccc(Br)cc1 ZINC001220607381 845317420 /nfs/dbraw/zinc/31/74/20/845317420.db2.gz LFTMUZAEAQODLG-QWHCGFSZSA-N 1 3 369.263 -0.105 20 0 FBADHO [NH3+]C[C@H](NC(=O)[C@@H]1COC2(CNC2)CN1)c1ccc(Br)cc1 ZINC001220607382 845317029 /nfs/dbraw/zinc/31/70/29/845317029.db2.gz LFTMUZAEAQODLG-STQMWFEESA-N 1 3 369.263 -0.105 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220620142 845318609 /nfs/dbraw/zinc/31/86/09/845318609.db2.gz ORQVDSISQJZOQI-CYBMUJFWSA-N 1 3 355.464 -0.583 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220620143 845319291 /nfs/dbraw/zinc/31/92/91/845319291.db2.gz ORQVDSISQJZOQI-ZDUSSCGKSA-N 1 3 355.464 -0.583 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001220622888 845319927 /nfs/dbraw/zinc/31/99/27/845319927.db2.gz UQETWFUUEBDSIP-AWEZNQCLSA-N 1 3 369.491 -0.193 20 0 FBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220642703 845327698 /nfs/dbraw/zinc/32/76/98/845327698.db2.gz JMVINZVBGXGVLV-OIISXLGYSA-N 1 3 355.479 -0.315 20 0 FBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220642704 845327034 /nfs/dbraw/zinc/32/70/34/845327034.db2.gz JMVINZVBGXGVLV-UAGQMJEPSA-N 1 3 355.479 -0.315 20 0 FBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220643281 845327183 /nfs/dbraw/zinc/32/71/83/845327183.db2.gz YJWNWELZGKLUTB-OIISXLGYSA-N 1 3 355.479 -0.172 20 0 FBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220643282 845327439 /nfs/dbraw/zinc/32/74/39/845327439.db2.gz YJWNWELZGKLUTB-UAGQMJEPSA-N 1 3 355.479 -0.172 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001220688279 845347941 /nfs/dbraw/zinc/34/79/41/845347941.db2.gz CXOPLUZGCCUEOD-CVEARBPZSA-N 1 3 352.483 -0.049 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001220688279 845347936 /nfs/dbraw/zinc/34/79/36/845347936.db2.gz CXOPLUZGCCUEOD-CVEARBPZSA-N 1 3 352.483 -0.049 20 0 FBADHO Nc1ncc(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])s1 ZINC001220703664 845354406 /nfs/dbraw/zinc/35/44/06/845354406.db2.gz FADJVKIRXPEIPE-STQMWFEESA-N 1 3 368.507 -0.169 20 0 FBADHO COC(CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])OC ZINC001220741240 845371984 /nfs/dbraw/zinc/37/19/84/845371984.db2.gz IVXLQEBNCCHAME-KBPBESRZSA-N 1 3 358.483 -0.051 20 0 FBADHO C[C@@H](N)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748572 845373673 /nfs/dbraw/zinc/37/36/73/845373673.db2.gz KEOOZWOAVKXQPQ-MRVPVSSYSA-N 1 3 356.408 -0.888 20 0 FBADHO CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C2(N)CC2)c2nonc21 ZINC001220749446 845373847 /nfs/dbraw/zinc/37/38/47/845373847.db2.gz VTTVTOSXFLEYSL-UHFFFAOYSA-N 1 3 368.419 -0.744 20 0 FBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756514 845377873 /nfs/dbraw/zinc/37/78/73/845377873.db2.gz FKTJTFLKWBRPKJ-HNNXBMFYSA-N 1 3 362.540 -0.281 20 0 FBADHO CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220756676 845378391 /nfs/dbraw/zinc/37/83/91/845378391.db2.gz HGGCVUFQFPGBQR-QEJZJMRPSA-N 1 3 355.483 -0.678 20 0 FBADHO CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220756679 845377729 /nfs/dbraw/zinc/37/77/29/845377729.db2.gz HGGCVUFQFPGBQR-SNPRPXQTSA-N 1 3 355.483 -0.678 20 0 FBADHO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220757181 845378126 /nfs/dbraw/zinc/37/81/26/845378126.db2.gz WLPLFKVJUHRZCW-AWEZNQCLSA-N 1 3 358.508 -0.903 20 0 FBADHO O=C(NCCCN1CCS(=O)(=O)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220757181 845378114 /nfs/dbraw/zinc/37/81/14/845378114.db2.gz WLPLFKVJUHRZCW-AWEZNQCLSA-N 1 3 358.508 -0.903 20 0 FBADHO O=C(NCCCN1CCS(=O)(=O)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220757182 845378185 /nfs/dbraw/zinc/37/81/85/845378185.db2.gz WLPLFKVJUHRZCW-CQSZACIVSA-N 1 3 358.508 -0.903 20 0 FBADHO O=C(NCCCN1CCS(=O)(=O)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220757182 845378180 /nfs/dbraw/zinc/37/81/80/845378180.db2.gz WLPLFKVJUHRZCW-CQSZACIVSA-N 1 3 358.508 -0.903 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@@H]1O ZINC001220768319 845384301 /nfs/dbraw/zinc/38/43/01/845384301.db2.gz GRCLHPIPCLLPHT-SJORKVTESA-N 1 3 357.495 -0.067 20 0 FBADHO CO[C@@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCCC1 ZINC001220768410 845385649 /nfs/dbraw/zinc/38/56/49/845385649.db2.gz KKJRTMMYWIYLMX-IKGGRYGDSA-N 1 3 357.495 -0.069 20 0 FBADHO CO[C@H](CN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCCC1 ZINC001220768411 845385190 /nfs/dbraw/zinc/38/51/90/845385190.db2.gz KKJRTMMYWIYLMX-IXDOHACOSA-N 1 3 357.495 -0.069 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220768575 845385841 /nfs/dbraw/zinc/38/58/41/845385841.db2.gz SCEVLAJKSIZIKS-IKGGRYGDSA-N 1 3 357.495 -0.333 20 0 FBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220768576 845385063 /nfs/dbraw/zinc/38/50/63/845385063.db2.gz SCEVLAJKSIZIKS-ZACQAIPSSA-N 1 3 357.495 -0.333 20 0 FBADHO O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220788432 845393878 /nfs/dbraw/zinc/39/38/78/845393878.db2.gz DOXFEOWLQNNOSV-KKUMJFAQSA-N 1 3 364.471 -0.375 20 0 FBADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220788433 845393935 /nfs/dbraw/zinc/39/39/35/845393935.db2.gz DOXFEOWLQNNOSV-RRFJBIMHSA-N 1 3 364.471 -0.375 20 0 FBADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220788434 845393957 /nfs/dbraw/zinc/39/39/57/845393957.db2.gz DOXFEOWLQNNOSV-SOUVJXGZSA-N 1 3 364.471 -0.375 20 0 FBADHO O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220788435 845394493 /nfs/dbraw/zinc/39/44/93/845394493.db2.gz DOXFEOWLQNNOSV-ZNMIVQPWSA-N 1 3 364.471 -0.375 20 0 FBADHO O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220800288 845398068 /nfs/dbraw/zinc/39/80/68/845398068.db2.gz OIOJNEPGKYCLFT-IVZWLZJFSA-N 1 3 355.382 -0.580 20 0 FBADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220800291 845397932 /nfs/dbraw/zinc/39/79/32/845397932.db2.gz OIOJNEPGKYCLFT-KXUCPTDWSA-N 1 3 355.382 -0.580 20 0 FBADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220800292 845397918 /nfs/dbraw/zinc/39/79/18/845397918.db2.gz OIOJNEPGKYCLFT-LPEHRKFASA-N 1 3 355.382 -0.580 20 0 FBADHO O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220800293 845398021 /nfs/dbraw/zinc/39/80/21/845398021.db2.gz OIOJNEPGKYCLFT-OPRDCNLKSA-N 1 3 355.382 -0.580 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)COC1(C)C ZINC001220806293 845399106 /nfs/dbraw/zinc/39/91/06/845399106.db2.gz ZTVMXUHBSOPXHA-MMWGEVLESA-N 1 3 366.384 -0.046 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)COC1(C)C ZINC001220806294 845399549 /nfs/dbraw/zinc/39/95/49/845399549.db2.gz ZTVMXUHBSOPXHA-NAKRPEOUSA-N 1 3 366.384 -0.046 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)COC1(C)C ZINC001220806295 845399798 /nfs/dbraw/zinc/39/97/98/845399798.db2.gz ZTVMXUHBSOPXHA-VLEAKVRGSA-N 1 3 366.384 -0.046 20 0 FBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)COC1(C)C ZINC001220806296 845398882 /nfs/dbraw/zinc/39/88/82/845398882.db2.gz ZTVMXUHBSOPXHA-ZDCRXTMVSA-N 1 3 366.384 -0.046 20 0 FBADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220809272 845400700 /nfs/dbraw/zinc/40/07/00/845400700.db2.gz QOEJVDAXPUQJQP-OAGGEKHMSA-N 1 3 354.495 -0.204 20 0 FBADHO C[NH+](C)CCCCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220809273 845400810 /nfs/dbraw/zinc/40/08/10/845400810.db2.gz QOEJVDAXPUQJQP-XHSDSOJGSA-N 1 3 354.495 -0.204 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826317 845407735 /nfs/dbraw/zinc/40/77/35/845407735.db2.gz XWLXMRUJVVPJII-OAGGEKHMSA-N 1 3 354.495 -0.204 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826317 845407725 /nfs/dbraw/zinc/40/77/25/845407725.db2.gz XWLXMRUJVVPJII-OAGGEKHMSA-N 1 3 354.495 -0.204 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826318 845408272 /nfs/dbraw/zinc/40/82/72/845408272.db2.gz XWLXMRUJVVPJII-XHSDSOJGSA-N 1 3 354.495 -0.204 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220826318 845408264 /nfs/dbraw/zinc/40/82/64/845408264.db2.gz XWLXMRUJVVPJII-XHSDSOJGSA-N 1 3 354.495 -0.204 20 0 FBADHO CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001220840864 845410691 /nfs/dbraw/zinc/41/06/91/845410691.db2.gz XRXUDCALUYVWPH-AVGNSLFASA-N 1 3 373.523 -0.843 20 0 FBADHO CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220848645 845412054 /nfs/dbraw/zinc/41/20/54/845412054.db2.gz DNTGECWAIAWGGA-IHRRRGAJSA-N 1 3 356.467 -0.251 20 0 FBADHO CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220848646 845412281 /nfs/dbraw/zinc/41/22/81/845412281.db2.gz DNTGECWAIAWGGA-RDBSUJKOSA-N 1 3 356.467 -0.251 20 0 FBADHO [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001220870210 845421608 /nfs/dbraw/zinc/42/16/08/845421608.db2.gz JKFQUQLYCXRGMP-LLVKDONJSA-N 1 3 370.251 -0.919 20 0 FBADHO [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220870211 845421363 /nfs/dbraw/zinc/42/13/63/845421363.db2.gz JKFQUQLYCXRGMP-NSHDSACASA-N 1 3 370.251 -0.919 20 0 FBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878488 845423834 /nfs/dbraw/zinc/42/38/34/845423834.db2.gz FGZVNQROTAKFRA-AWEZNQCLSA-N 1 3 354.451 -0.460 20 0 FBADHO COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220881483 845425817 /nfs/dbraw/zinc/42/58/17/845425817.db2.gz LIPFZFHDDCSNQX-CRWXNKLISA-N 1 3 354.451 -0.641 20 0 FBADHO COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220881484 845425178 /nfs/dbraw/zinc/42/51/78/845425178.db2.gz LIPFZFHDDCSNQX-MQYQWHSLSA-N 1 3 354.451 -0.641 20 0 FBADHO COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220881485 845425366 /nfs/dbraw/zinc/42/53/66/845425366.db2.gz LIPFZFHDDCSNQX-RFGFWPKPSA-N 1 3 354.451 -0.641 20 0 FBADHO COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220881486 845425127 /nfs/dbraw/zinc/42/51/27/845425127.db2.gz LIPFZFHDDCSNQX-XUXIUFHCSA-N 1 3 354.451 -0.641 20 0 FBADHO O=C(CN1CC[NH2+]CC1)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898402 845429988 /nfs/dbraw/zinc/42/99/88/845429988.db2.gz IGJISBNSHKYGDU-UHFFFAOYSA-N 1 3 351.495 -0.515 20 0 FBADHO N[C@]1(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CCC[NH2+]C1 ZINC001220900194 845430130 /nfs/dbraw/zinc/43/01/30/845430130.db2.gz CYDWXVOLDDBPFP-GOSISDBHSA-N 1 3 351.495 -0.340 20 0 FBADHO N[C@@]1(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CCC[NH2+]C1 ZINC001220900195 845429366 /nfs/dbraw/zinc/42/93/66/845429366.db2.gz CYDWXVOLDDBPFP-SFHVURJKSA-N 1 3 351.495 -0.340 20 0 FBADHO CN[C@@H](COCc1ccccc1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900761 845429520 /nfs/dbraw/zinc/42/95/20/845429520.db2.gz PIDZEGIMJJADCU-AWEZNQCLSA-N 1 3 354.411 -0.544 20 0 FBADHO NC1(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CC[NH2+]CC1 ZINC001220901287 845429600 /nfs/dbraw/zinc/42/96/00/845429600.db2.gz WISWXRXGIAYIQE-UHFFFAOYSA-N 1 3 351.495 -0.340 20 0 FBADHO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1CCN(CC(=O)C(C)(C)C)CC1 ZINC001220908982 845432250 /nfs/dbraw/zinc/43/22/50/845432250.db2.gz GHHIXVKRQWKTAR-AAEUAGOBSA-N 1 3 356.467 -0.994 20 0 FBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220920612 845435536 /nfs/dbraw/zinc/43/55/36/845435536.db2.gz GJKDEFBPQVGJGB-SCRDCRAPSA-N 1 3 353.467 -0.783 20 0 FBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220920612 845435532 /nfs/dbraw/zinc/43/55/32/845435532.db2.gz GJKDEFBPQVGJGB-SCRDCRAPSA-N 1 3 353.467 -0.783 20 0 FBADHO CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001220924328 845436233 /nfs/dbraw/zinc/43/62/33/845436233.db2.gz QUTHNQQFVAWFMX-AWEZNQCLSA-N 1 3 358.508 -0.352 20 0 FBADHO CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001220924328 845436225 /nfs/dbraw/zinc/43/62/25/845436225.db2.gz QUTHNQQFVAWFMX-AWEZNQCLSA-N 1 3 358.508 -0.352 20 0 FBADHO CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001220924333 845435957 /nfs/dbraw/zinc/43/59/57/845435957.db2.gz QUTHNQQFVAWFMX-CQSZACIVSA-N 1 3 358.508 -0.352 20 0 FBADHO CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001220924333 845435948 /nfs/dbraw/zinc/43/59/48/845435948.db2.gz QUTHNQQFVAWFMX-CQSZACIVSA-N 1 3 358.508 -0.352 20 0 FBADHO C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220973397 845451905 /nfs/dbraw/zinc/45/19/05/845451905.db2.gz UXFKCRJOMGWUOY-AAEUAGOBSA-N 1 3 353.467 -0.796 20 0 FBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976078 845453461 /nfs/dbraw/zinc/45/34/61/845453461.db2.gz IKRNCSJBQRTSQW-OAGGEKHMSA-N 1 3 350.467 -0.439 20 0 FBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976078 845453458 /nfs/dbraw/zinc/45/34/58/845453458.db2.gz IKRNCSJBQRTSQW-OAGGEKHMSA-N 1 3 350.467 -0.439 20 0 FBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976079 845453024 /nfs/dbraw/zinc/45/30/24/845453024.db2.gz IKRNCSJBQRTSQW-XHSDSOJGSA-N 1 3 350.467 -0.439 20 0 FBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCCn3cncn3)C[C@@H]2O)C1 ZINC001220976079 845453017 /nfs/dbraw/zinc/45/30/17/845453017.db2.gz IKRNCSJBQRTSQW-XHSDSOJGSA-N 1 3 350.467 -0.439 20 0 FBADHO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C[C@@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220978179 845455069 /nfs/dbraw/zinc/45/50/69/845455069.db2.gz QIPPXUIIOTZBTE-UPJWGTAASA-N 1 3 369.384 -0.817 20 0 FBADHO O=C(C[NH+]1CCCC1)N[C@@H]1CN(C[C@H](O)COCC(F)(F)F)C[C@@H]1O ZINC001220978180 845455403 /nfs/dbraw/zinc/45/54/03/845455403.db2.gz QIPPXUIIOTZBTE-XQQFMLRXSA-N 1 3 369.384 -0.817 20 0 FBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001220985915 845460323 /nfs/dbraw/zinc/46/03/23/845460323.db2.gz KDYOKELYNJEHHF-OIISXLGYSA-N 1 3 355.479 -0.315 20 0 FBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220985915 845460321 /nfs/dbraw/zinc/46/03/21/845460321.db2.gz KDYOKELYNJEHHF-OIISXLGYSA-N 1 3 355.479 -0.315 20 0 FBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001220985916 845460125 /nfs/dbraw/zinc/46/01/25/845460125.db2.gz KDYOKELYNJEHHF-UAGQMJEPSA-N 1 3 355.479 -0.315 20 0 FBADHO C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220985916 845460122 /nfs/dbraw/zinc/46/01/22/845460122.db2.gz KDYOKELYNJEHHF-UAGQMJEPSA-N 1 3 355.479 -0.315 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cccc(N2CCOCC2=O)c1 ZINC001220990790 845462584 /nfs/dbraw/zinc/46/25/84/845462584.db2.gz ZFFMCOMARXOJIV-AWEZNQCLSA-N 1 3 352.460 -0.315 20 0 FBADHO O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1)[C@@H]1CCCO1 ZINC001221003703 845471850 /nfs/dbraw/zinc/47/18/50/845471850.db2.gz DYCPBYXQCVURJC-AJNGGQMLSA-N 1 3 350.463 -0.482 20 0 FBADHO O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1)[C@@H]1CCCO1 ZINC001221003704 845472560 /nfs/dbraw/zinc/47/25/60/845472560.db2.gz DYCPBYXQCVURJC-TUVASFSCSA-N 1 3 350.463 -0.482 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221004613 845473270 /nfs/dbraw/zinc/47/32/70/845473270.db2.gz PUXLBADOYIULJJ-XUXIUFHCSA-N 1 3 358.508 -0.272 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1nncs1 ZINC001221012866 845478269 /nfs/dbraw/zinc/47/82/69/845478269.db2.gz CVVQKTLWGGAGSD-RYUDHWBXSA-N 1 3 354.480 -0.356 20 0 FBADHO COCCC1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCS(=O)(=O)CC1 ZINC001221026156 845480622 /nfs/dbraw/zinc/48/06/22/845480622.db2.gz RCRXDSIHKTZMGK-CZUORRHYSA-N 1 3 359.492 -0.714 20 0 FBADHO N[C@@H](CCC[NH3+])C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028379 845482386 /nfs/dbraw/zinc/48/23/86/845482386.db2.gz OQJZUJSPMATQAJ-AWEZNQCLSA-N 1 3 354.476 -0.246 20 0 FBADHO N[C@H](CCC[NH3+])C(=O)NC1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001221028380 845482629 /nfs/dbraw/zinc/48/26/29/845482629.db2.gz OQJZUJSPMATQAJ-CQSZACIVSA-N 1 3 354.476 -0.246 20 0 FBADHO CCC(CC)[C@@H](NC(=O)[C@@](C)(N)CO)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067738 845490893 /nfs/dbraw/zinc/49/08/93/845490893.db2.gz ISFUWSBLJWKJNG-UJNKEFAKSA-N 1 3 359.467 -0.886 20 0 FBADHO CCC(CC)[C@@H](NC(=O)[C@H](CN)OC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072489 845492409 /nfs/dbraw/zinc/49/24/09/845492409.db2.gz FOGLCYNLIBRFNB-XWSJDDSLSA-N 1 3 359.467 -0.622 20 0 FBADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221121832 845515256 /nfs/dbraw/zinc/51/52/56/845515256.db2.gz TXXSXQHKSRUZJK-AWEZNQCLSA-N 1 3 364.471 -0.447 20 0 FBADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221121833 845515006 /nfs/dbraw/zinc/51/50/06/845515006.db2.gz TXXSXQHKSRUZJK-CQSZACIVSA-N 1 3 364.471 -0.447 20 0 FBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153690 845527166 /nfs/dbraw/zinc/52/71/66/845527166.db2.gz OSVCTHKOMQKBBD-LBPRGKRZSA-N 1 3 352.464 -0.363 20 0 FBADHO CC(C)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188018 845542016 /nfs/dbraw/zinc/54/20/16/845542016.db2.gz MNUJGIHRQRTSNF-XUXIUFHCSA-N 1 3 355.483 -0.552 20 0 FBADHO CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(N)=O ZINC001221234379 845553393 /nfs/dbraw/zinc/55/33/93/845553393.db2.gz GJINZANMRKIJOH-IHRRRGAJSA-N 1 3 355.483 -0.406 20 0 FBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)C(N)=O ZINC001221250539 845555154 /nfs/dbraw/zinc/55/51/54/845555154.db2.gz NTROEZKOTMWFDX-XTQGRXLLSA-N 1 3 353.467 -0.878 20 0 FBADHO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2C[C@H](O)CN2)S(C)(=O)=O)c(F)c1 ZINC001221262642 845558955 /nfs/dbraw/zinc/55/89/55/845558955.db2.gz LJTJZUORSFNBTA-FDOIEUKUSA-N 1 3 363.386 0.000 20 0 FBADHO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2C[C@@H](O)CN2)S(C)(=O)=O)c(F)c1 ZINC001221262643 845557955 /nfs/dbraw/zinc/55/79/55/845557955.db2.gz LJTJZUORSFNBTA-JWKOBGCHSA-N 1 3 363.386 0.000 20 0 FBADHO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2NCC[C@@H]2O)S(C)(=O)=O)c(F)c1 ZINC001221262907 845558599 /nfs/dbraw/zinc/55/85/99/845558599.db2.gz UNJJJXUJNNNRJJ-MKCWBWRRSA-N 1 3 363.386 0.000 20 0 FBADHO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]2CNCCN2)S(C)(=O)=O)c(F)c1 ZINC001221263020 845558364 /nfs/dbraw/zinc/55/83/64/845558364.db2.gz YEIVBMHQASSCDJ-PELKAZGASA-N 1 3 362.402 -0.162 20 0 FBADHO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]2CNCCN2)S(C)(=O)=O)c(F)c1 ZINC001221263021 845558674 /nfs/dbraw/zinc/55/86/74/845558674.db2.gz YEIVBMHQASSCDJ-PRHODGIISA-N 1 3 362.402 -0.162 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269836 845559657 /nfs/dbraw/zinc/55/96/57/845559657.db2.gz YYYCNGZHOIMSFQ-IHRRRGAJSA-N 1 3 353.467 -0.781 20 0 FBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269837 845559681 /nfs/dbraw/zinc/55/96/81/845559681.db2.gz YYYCNGZHOIMSFQ-RDBSUJKOSA-N 1 3 353.467 -0.781 20 0 FBADHO Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c(=O)[nH]1 ZINC001221327581 845568028 /nfs/dbraw/zinc/56/80/28/845568028.db2.gz ADKILDRXYHALHB-RYUDHWBXSA-N 1 3 350.423 -0.536 20 0 FBADHO NC[C@H](N)C(=O)N(CCC[C@H](N)C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221339835 845568133 /nfs/dbraw/zinc/56/81/33/845568133.db2.gz AJMBTFMOOBTTCN-STQMWFEESA-N 1 3 366.491 -0.438 20 0 FBADHO C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349531 845569544 /nfs/dbraw/zinc/56/95/44/845569544.db2.gz CSRQITJMBDKNOS-GMXVVIOVSA-N 1 3 356.467 -0.336 20 0 FBADHO C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349534 845568998 /nfs/dbraw/zinc/56/89/98/845568998.db2.gz CSRQITJMBDKNOS-GVXVVHGQSA-N 1 3 356.467 -0.336 20 0 FBADHO C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350634 845569376 /nfs/dbraw/zinc/56/93/76/845569376.db2.gz WGUWMKFVICIUSC-SDDRHHMPSA-N 1 3 354.451 -0.854 20 0 FBADHO C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350635 845568791 /nfs/dbraw/zinc/56/87/91/845568791.db2.gz WGUWMKFVICIUSC-SRVKXCTJSA-N 1 3 354.451 -0.854 20 0 FBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC2)[NH2+]C1 ZINC001221390578 845572892 /nfs/dbraw/zinc/57/28/92/845572892.db2.gz GFYCVMWHEAUUAW-AWEZNQCLSA-N 1 3 366.487 -0.669 20 0 FBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)CC2)[NH2+]C1 ZINC001221390579 845572991 /nfs/dbraw/zinc/57/29/91/845572991.db2.gz GFYCVMWHEAUUAW-CQSZACIVSA-N 1 3 366.487 -0.669 20 0 FBADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC1 ZINC001221397382 845573004 /nfs/dbraw/zinc/57/30/04/845573004.db2.gz NDOHSDSVFBFYLB-FQUUOJAGSA-N 1 3 355.483 -0.537 20 0 FBADHO Cn1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(Br)c1=O ZINC001221401759 845573667 /nfs/dbraw/zinc/57/36/67/845573667.db2.gz NFUPYUNCXKNBTA-AMIZOPFISA-N 1 3 356.224 -0.320 20 0 FBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)c1 ZINC001221407101 845573772 /nfs/dbraw/zinc/57/37/72/845573772.db2.gz XDSDRAKHKRMTQV-KBPBESRZSA-N 1 3 353.444 -0.412 20 0 FBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)c1 ZINC001221407102 845573427 /nfs/dbraw/zinc/57/34/27/845573427.db2.gz XDSDRAKHKRMTQV-KGLIPLIRSA-N 1 3 353.444 -0.412 20 0 FBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)c1 ZINC001221407103 845573986 /nfs/dbraw/zinc/57/39/86/845573986.db2.gz XDSDRAKHKRMTQV-UONOGXRCSA-N 1 3 353.444 -0.412 20 0 FBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)c1 ZINC001221407104 845572946 /nfs/dbraw/zinc/57/29/46/845572946.db2.gz XDSDRAKHKRMTQV-ZIAGYGMSSA-N 1 3 353.444 -0.412 20 0 FBADHO COCCOC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776950 845648332 /nfs/dbraw/zinc/64/83/32/845648332.db2.gz LNRVGAQHOPGWFU-BRWVUGGUSA-N 1 3 357.495 -0.115 20 0 FBADHO COCCOC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776951 845648262 /nfs/dbraw/zinc/64/82/62/845648262.db2.gz LNRVGAQHOPGWFU-IXDOHACOSA-N 1 3 357.495 -0.115 20 0 FBADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001221791315 845652271 /nfs/dbraw/zinc/65/22/71/845652271.db2.gz FXEPERNYMUOZIK-ZIAGYGMSSA-N 1 3 351.451 -0.587 20 0 FBADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894637 845673216 /nfs/dbraw/zinc/67/32/16/845673216.db2.gz BMEQDKWXOPIZQZ-BFYDXBDKSA-N 1 3 355.479 -0.363 20 0 FBADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894638 845672635 /nfs/dbraw/zinc/67/26/35/845672635.db2.gz BMEQDKWXOPIZQZ-HLLBOEOZSA-N 1 3 355.479 -0.363 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCCOC)C[C@H]21 ZINC001221920744 845678142 /nfs/dbraw/zinc/67/81/42/845678142.db2.gz UNOYDDCPQAIQHG-BRWVUGGUSA-N 1 3 357.495 -0.115 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COCCOC)C[C@H]21 ZINC001221920744 845678136 /nfs/dbraw/zinc/67/81/36/845678136.db2.gz UNOYDDCPQAIQHG-BRWVUGGUSA-N 1 3 357.495 -0.115 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COCCOC)C[C@H]21 ZINC001221920745 845677714 /nfs/dbraw/zinc/67/77/14/845677714.db2.gz UNOYDDCPQAIQHG-IXDOHACOSA-N 1 3 357.495 -0.115 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COCCOC)C[C@H]21 ZINC001221920745 845677710 /nfs/dbraw/zinc/67/77/10/845677710.db2.gz UNOYDDCPQAIQHG-IXDOHACOSA-N 1 3 357.495 -0.115 20 0 FBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001223425312 845756961 /nfs/dbraw/zinc/75/69/61/845756961.db2.gz RULWYPSXRJMZJW-KGLIPLIRSA-N 1 3 351.451 -0.587 20 0 FBADHO C[NH+](C)CCOCC(=O)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001223916457 845771257 /nfs/dbraw/zinc/77/12/57/845771257.db2.gz JIRJXCPEEBITMV-CVEARBPZSA-N 1 3 350.467 -0.221 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CC[N@H+]1C ZINC001226332952 845823192 /nfs/dbraw/zinc/82/31/92/845823192.db2.gz CRJCXLYWHWGZNQ-REWJHTLYSA-N 1 3 353.467 -0.071 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001226332952 845823181 /nfs/dbraw/zinc/82/31/81/845823181.db2.gz CRJCXLYWHWGZNQ-REWJHTLYSA-N 1 3 353.467 -0.071 20 0 FBADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226553663 845827668 /nfs/dbraw/zinc/82/76/68/845827668.db2.gz FABRDEVHNMZJRA-JHJVBQTASA-N 1 3 359.446 -0.122 20 0 FBADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001226553674 845827075 /nfs/dbraw/zinc/82/70/75/845827075.db2.gz FABRDEVHNMZJRA-YNEHKIRRSA-N 1 3 359.446 -0.122 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226781978 845836258 /nfs/dbraw/zinc/83/62/58/845836258.db2.gz GQOPEGHJVDMDPM-CHWSQXEVSA-N 1 3 353.467 -0.057 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226799566 845837367 /nfs/dbraw/zinc/83/73/67/845837367.db2.gz CIUUBDJQUANLQL-NFAWXSAZSA-N 1 3 353.467 -0.201 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226799568 845836769 /nfs/dbraw/zinc/83/67/69/845836769.db2.gz CIUUBDJQUANLQL-UMVBOHGHSA-N 1 3 353.467 -0.201 20 0 FBADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001226801491 845837006 /nfs/dbraw/zinc/83/70/06/845837006.db2.gz YUOILOKOXSTYAG-KFWWJZLASA-N 1 3 360.524 -0.107 20 0 FBADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001226801493 845837334 /nfs/dbraw/zinc/83/73/34/845837334.db2.gz YUOILOKOXSTYAG-RBSFLKMASA-N 1 3 360.524 -0.107 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831506 845837105 /nfs/dbraw/zinc/83/71/05/845837105.db2.gz QUJVCJUPCJMVEN-ZIAGYGMSSA-N 1 3 353.467 -0.057 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001227057193 845843492 /nfs/dbraw/zinc/84/34/92/845843492.db2.gz QAVFLHJBVZSGJQ-MGPQQGTHSA-N 1 3 353.467 -0.105 20 0 FBADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001227613604 845855048 /nfs/dbraw/zinc/85/50/48/845855048.db2.gz JMBCELOPONZBNX-HIJUSWDOSA-N 1 3 350.463 -0.387 20 0 FBADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001227613605 845855404 /nfs/dbraw/zinc/85/54/04/845855404.db2.gz JMBCELOPONZBNX-LIDHIPMTSA-N 1 3 350.463 -0.387 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239372 845872997 /nfs/dbraw/zinc/87/29/97/845872997.db2.gz QQYXRURXHJEOBA-CHWSQXEVSA-N 1 3 353.467 -0.199 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001228603700 845883620 /nfs/dbraw/zinc/88/36/20/845883620.db2.gz RVKQRSWFJGZXTK-BFHYXJOUSA-N 1 3 353.467 -0.199 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001228603701 845883246 /nfs/dbraw/zinc/88/32/46/845883246.db2.gz RVKQRSWFJGZXTK-MGPQQGTHSA-N 1 3 353.467 -0.199 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229237557 845900185 /nfs/dbraw/zinc/90/01/85/845900185.db2.gz GJGFSVTXWWFCCJ-ZIAGYGMSSA-N 1 3 353.467 -0.103 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)N(C)C ZINC001229746658 845911695 /nfs/dbraw/zinc/91/16/95/845911695.db2.gz QAVFLHJBVZSGJQ-MCIONIFRSA-N 1 3 353.467 -0.105 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001229868232 845913645 /nfs/dbraw/zinc/91/36/45/845913645.db2.gz DVXHJISQRRUSAQ-ZIAGYGMSSA-N 1 3 353.467 -0.103 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001230284759 845928667 /nfs/dbraw/zinc/92/86/67/845928667.db2.gz UCXKGXSQDCLVOT-ZIAGYGMSSA-N 1 3 353.467 -0.105 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001230857451 845941512 /nfs/dbraw/zinc/94/15/12/845941512.db2.gz BHAIQYRYYMBWRP-ZDUSSCGKSA-N 1 3 363.528 -0.231 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(S(N)(=O)=O)CCC1 ZINC001230857451 845941506 /nfs/dbraw/zinc/94/15/06/845941506.db2.gz BHAIQYRYYMBWRP-ZDUSSCGKSA-N 1 3 363.528 -0.231 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@H]1CNCCO1)C2 ZINC001235272281 846026110 /nfs/dbraw/zinc/02/61/10/846026110.db2.gz JIJAHTMLBCFVIF-BNOWGMLFSA-N 1 3 351.369 -0.008 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@@H]1CNCCO1)C2 ZINC001235272354 846026372 /nfs/dbraw/zinc/02/63/72/846026372.db2.gz JIJAHTMLBCFVIF-IACUBPJLSA-N 1 3 351.369 -0.008 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@H]1CNCCO1)C2 ZINC001235272362 846026434 /nfs/dbraw/zinc/02/64/34/846026434.db2.gz JIJAHTMLBCFVIF-MRVWCRGKSA-N 1 3 351.369 -0.008 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@@H]1CNCCO1)C2 ZINC001235272371 846026310 /nfs/dbraw/zinc/02/63/10/846026310.db2.gz JIJAHTMLBCFVIF-YUTCNCBUSA-N 1 3 351.369 -0.008 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@@H]1COCCN1)C2 ZINC001235277383 846027226 /nfs/dbraw/zinc/02/72/26/846027226.db2.gz VLBPUFOSMCQEJR-BNOWGMLFSA-N 1 3 351.369 -0.008 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@H]1COCCN1)C2 ZINC001235277394 846027453 /nfs/dbraw/zinc/02/74/53/846027453.db2.gz VLBPUFOSMCQEJR-IACUBPJLSA-N 1 3 351.369 -0.008 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C[C@@H]1COCCN1)C2 ZINC001235277398 846027322 /nfs/dbraw/zinc/02/73/22/846027322.db2.gz VLBPUFOSMCQEJR-MRVWCRGKSA-N 1 3 351.369 -0.008 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C[C@H]1COCCN1)C2 ZINC001235277400 846027035 /nfs/dbraw/zinc/02/70/35/846027035.db2.gz VLBPUFOSMCQEJR-YUTCNCBUSA-N 1 3 351.369 -0.008 20 0 FBADHO CN1CCN(C2CC[NH+](C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)CC2)CC1 ZINC001235665557 846031960 /nfs/dbraw/zinc/03/19/60/846031960.db2.gz OZUWSJPEPLROOH-YVSFHVDLSA-N 1 3 355.479 -0.065 20 0 FBADHO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1CCCC[NH3+])C(=O)NCC(N)=O ZINC001235881004 846032658 /nfs/dbraw/zinc/03/26/58/846032658.db2.gz CLYGCUKQRHHCBF-KBPBESRZSA-N 1 3 355.483 -0.678 20 0 FBADHO CCOC(=O)[C@]12C[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@H]1CNCC2 ZINC001236040724 846033239 /nfs/dbraw/zinc/03/32/39/846033239.db2.gz MXPHAESAJBVGEJ-CXAGYDPISA-N 1 3 350.419 -0.941 20 0 FBADHO CCOC(=O)[C@]12C[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@H]1CNCC2 ZINC001236040724 846033228 /nfs/dbraw/zinc/03/32/28/846033228.db2.gz MXPHAESAJBVGEJ-CXAGYDPISA-N 1 3 350.419 -0.941 20 0 FBADHO CCC(CC)[C@@H](NS(=O)(=O)CCN)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001238840151 846069072 /nfs/dbraw/zinc/06/90/72/846069072.db2.gz OFRFVPOXAVLWHR-RYMFRWLXSA-N 1 3 365.496 -0.833 20 0 FBADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001238878383 846068931 /nfs/dbraw/zinc/06/89/31/846068931.db2.gz DXZKGPQQUDJQFZ-UHFFFAOYSA-N 1 3 357.480 -0.475 20 0 FBADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001238878780 846069150 /nfs/dbraw/zinc/06/91/50/846069150.db2.gz LTMNRBHUSHULJF-UHFFFAOYSA-N 1 3 355.420 -0.352 20 0 FBADHO [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001238879976 846068515 /nfs/dbraw/zinc/06/85/15/846068515.db2.gz RVRCIBQXCQPRDY-UHFFFAOYSA-N 1 3 353.452 -0.136 20 0 FBADHO [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001238879976 846068504 /nfs/dbraw/zinc/06/85/04/846068504.db2.gz RVRCIBQXCQPRDY-UHFFFAOYSA-N 1 3 353.452 -0.136 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(S(=O)(=O)CCN)C2 ZINC001239057254 846072772 /nfs/dbraw/zinc/07/27/72/846072772.db2.gz HUBSQMXZBKEPPC-GHMZBOCLSA-N 1 3 359.370 -0.708 20 0 FBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(S(=O)(=O)CCN)C2 ZINC001239057266 846073217 /nfs/dbraw/zinc/07/32/17/846073217.db2.gz HUBSQMXZBKEPPC-MNOVXSKESA-N 1 3 359.370 -0.708 20 0 FBADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(S(=O)(=O)CCN)C2 ZINC001239057270 846073404 /nfs/dbraw/zinc/07/34/04/846073404.db2.gz HUBSQMXZBKEPPC-QWRGUYRKSA-N 1 3 359.370 -0.708 20 0 FBADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(S(=O)(=O)CCN)C2 ZINC001239057273 846072755 /nfs/dbraw/zinc/07/27/55/846072755.db2.gz HUBSQMXZBKEPPC-WDEREUQCSA-N 1 3 359.370 -0.708 20 0 FBADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(S(=O)(=O)CCN)C2 ZINC001239062823 846072989 /nfs/dbraw/zinc/07/29/89/846072989.db2.gz RDJWHQQFGWJQLG-XJKSGUPXSA-N 1 3 359.492 -0.080 20 0 FBADHO Cn1nnc2c1CCN(S(=O)(=O)CCN)[C@H]2COCC[NH+]1CCCC1 ZINC001239074271 846073321 /nfs/dbraw/zinc/07/33/21/846073321.db2.gz BPMKTYNGIYEMAM-AWEZNQCLSA-N 1 3 372.495 -0.885 20 0 FBADHO Cn1nnc2c1CCN(S(=O)(=O)CCN)[C@@H]2COCC[NH+]1CCCC1 ZINC001239074272 846072960 /nfs/dbraw/zinc/07/29/60/846072960.db2.gz BPMKTYNGIYEMAM-CQSZACIVSA-N 1 3 372.495 -0.885 20 0 FBADHO NCCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001239078129 846075829 /nfs/dbraw/zinc/07/58/29/846075829.db2.gz YFCSPLLRQJZWIC-PMPSAXMXSA-N 1 3 368.507 -0.259 20 0 FBADHO NCCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001239078129 846075826 /nfs/dbraw/zinc/07/58/26/846075826.db2.gz YFCSPLLRQJZWIC-PMPSAXMXSA-N 1 3 368.507 -0.259 20 0 FBADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3S(=O)(=O)CCN)CC1 ZINC001239078547 846075812 /nfs/dbraw/zinc/07/58/12/846075812.db2.gz YSOLNDLEITXSGA-HUUCEWRRSA-N 1 3 358.508 -0.318 20 0 FBADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(S(=O)(=O)CC[NH3+])C3)O2)CC1 ZINC001239080661 846075482 /nfs/dbraw/zinc/07/54/82/846075482.db2.gz HMIAGKOUJUXKER-HZPDHXFCSA-N 1 3 360.524 -0.464 20 0 FBADHO [NH3+]CCS(=O)(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001239083635 846076796 /nfs/dbraw/zinc/07/67/96/846076796.db2.gz ZUPAZPDHOWSESW-UHFFFAOYSA-N 1 3 355.464 -0.667 20 0 FBADHO [NH3+]CCS(=O)(=O)N1CCCn2cnc(CNC3CCOCC3)c2C1 ZINC001239083767 846076551 /nfs/dbraw/zinc/07/65/51/846076551.db2.gz HXOUFXSLMSGLHU-UHFFFAOYSA-N 1 3 357.480 -0.354 20 0 FBADHO CCOC(=O)CC[C@H](NC(=O)NCCC[NH2+]CCCN)C(=O)OCC ZINC001239252293 846084292 /nfs/dbraw/zinc/08/42/92/846084292.db2.gz CBZJZRJDVOCOCJ-ZDUSSCGKSA-N 1 3 360.455 -0.111 20 0 FBADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)COc1ccc(CCO)cc1 ZINC001246022094 846092750 /nfs/dbraw/zinc/09/27/50/846092750.db2.gz VCYUFCIFQXUHON-RDJZCZTQSA-N 1 3 353.463 -0.206 20 0 FBADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)COc1ccc(CCO)cc1 ZINC001246022098 846092538 /nfs/dbraw/zinc/09/25/38/846092538.db2.gz VCYUFCIFQXUHON-WBVHZDCISA-N 1 3 353.463 -0.206 20 0 FBADHO O=C([C@@H]1C[C@@H](NCc2nnn3c2CNCCC3)C[NH2+]1)N1CCSC1 ZINC001246128769 846094574 /nfs/dbraw/zinc/09/45/74/846094574.db2.gz FHCCRMRHEYGSIL-NEPJUHHUSA-N 1 3 351.480 -0.876 20 0 FBADHO O=C([C@@H]1C[C@H](NCc2nnn3c2CNCCC3)C[NH2+]1)N1CCSC1 ZINC001246128785 846094608 /nfs/dbraw/zinc/09/46/08/846094608.db2.gz FHCCRMRHEYGSIL-RYUDHWBXSA-N 1 3 351.480 -0.876 20 0 FBADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC1CN(C2CC[NH2+]CC2)C1 ZINC001246213958 846096115 /nfs/dbraw/zinc/09/61/15/846096115.db2.gz GVNZXIPOQGXMAB-CYBMUJFWSA-N 1 3 361.508 -0.231 20 0 FBADHO COC(=O)CCS(=O)(=O)CC[C@H](C)NC1CN(C2CC[NH2+]CC2)C1 ZINC001246213960 846095547 /nfs/dbraw/zinc/09/55/47/846095547.db2.gz GVNZXIPOQGXMAB-ZDUSSCGKSA-N 1 3 361.508 -0.231 20 0 FBADHO CCOC(=O)C1=C(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCNC1 ZINC001246283287 846097028 /nfs/dbraw/zinc/09/70/28/846097028.db2.gz HFIJCSWNNCTYSN-FZMZJTMJSA-N 1 3 354.476 -0.350 20 0 FBADHO CCOC(=O)C1=C(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CCNC1 ZINC001246283289 846097149 /nfs/dbraw/zinc/09/71/49/846097149.db2.gz HFIJCSWNNCTYSN-RISCZKNCSA-N 1 3 354.476 -0.350 20 0 FBADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCCOCCOCCOCC[NH3+])CN1 ZINC001246292837 846097130 /nfs/dbraw/zinc/09/71/30/846097130.db2.gz YBGAZLHFCAVSAO-CABCVRRESA-N 1 3 361.483 -0.343 20 0 FBADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](NCCOCCOCCOCC[NH3+])CN1 ZINC001246292838 846096661 /nfs/dbraw/zinc/09/66/61/846096661.db2.gz YBGAZLHFCAVSAO-GJZGRUSLSA-N 1 3 361.483 -0.343 20 0 FBADHO COC(=O)[C@@H]1C[C@H](NCCC(=O)CCC(=O)CCC(=O)CC[NH3+])CN1 ZINC001246362536 846097754 /nfs/dbraw/zinc/09/77/54/846097754.db2.gz NGHRTJABTJYXBB-LRDDRELGSA-N 1 3 355.435 -0.514 20 0 FBADHO COC(=O)[C@@H]1C[C@@H](NCCC(=O)CCC(=O)CCC(=O)CC[NH3+])CN1 ZINC001246362537 846098043 /nfs/dbraw/zinc/09/80/43/846098043.db2.gz NGHRTJABTJYXBB-WBMJQRKESA-N 1 3 355.435 -0.514 20 0 FBADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418050 846098059 /nfs/dbraw/zinc/09/80/59/846098059.db2.gz QERCDANVBJGIEX-NEPJUHHUSA-N 1 3 351.469 -0.685 20 0 FBADHO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418059 846097532 /nfs/dbraw/zinc/09/75/32/846097532.db2.gz QERCDANVBJGIEX-RYUDHWBXSA-N 1 3 351.469 -0.685 20 0 FBADHO CNC(=O)[C@H](CCCC[NH3+])N[C@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001246512478 846100281 /nfs/dbraw/zinc/10/02/81/846100281.db2.gz NWMQZPUDLNMPKR-OLZOCXBDSA-N 1 3 365.496 -0.424 20 0 FBADHO CNC(=O)[C@H](CCCC[NH3+])N[C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001246512480 846100119 /nfs/dbraw/zinc/10/01/19/846100119.db2.gz NWMQZPUDLNMPKR-STQMWFEESA-N 1 3 365.496 -0.424 20 0 FBADHO COC(=O)[C@H](CCCCN[C@@H]1CC[C@H](C)[NH2+]C1)NC(=O)CNC(C)=O ZINC001246517247 846100518 /nfs/dbraw/zinc/10/05/18/846100518.db2.gz AVQQXFQEUUPEBO-CFVMTHIKSA-N 1 3 356.467 -0.319 20 0 FBADHO COC(=O)[C@H](CCCCN[C@H]1CC[C@H](C)[NH2+]C1)NC(=O)CNC(C)=O ZINC001246517255 846100268 /nfs/dbraw/zinc/10/02/68/846100268.db2.gz AVQQXFQEUUPEBO-QEJZJMRPSA-N 1 3 356.467 -0.319 20 0 FBADHO COC(=O)[C@H](CCCCN[C@H]1CC[C@@H](C)[NH2+]C1)NC(=O)CNC(C)=O ZINC001246517257 846100453 /nfs/dbraw/zinc/10/04/53/846100453.db2.gz AVQQXFQEUUPEBO-SNPRPXQTSA-N 1 3 356.467 -0.319 20 0 FBADHO COC(=O)[C@H](CCCCN[C@@H]1CC[C@@H](C)[NH2+]C1)NC(=O)CNC(C)=O ZINC001246517258 846099850 /nfs/dbraw/zinc/09/98/50/846099850.db2.gz AVQQXFQEUUPEBO-YUELXQCFSA-N 1 3 356.467 -0.319 20 0 FBADHO COC(=O)[C@H](CCCC[NH2+][C@@H]1CCN[C@@H](C)C1)NC(=O)CNC(C)=O ZINC001246518400 846100376 /nfs/dbraw/zinc/10/03/76/846100376.db2.gz HDYUWOIQNXBRRH-CFVMTHIKSA-N 1 3 356.467 -0.319 20 0 FBADHO COC(=O)[C@H](CCCC[NH2+][C@H]1CCN[C@@H](C)C1)NC(=O)CNC(C)=O ZINC001246518401 846099755 /nfs/dbraw/zinc/09/97/55/846099755.db2.gz HDYUWOIQNXBRRH-QEJZJMRPSA-N 1 3 356.467 -0.319 20 0 FBADHO COC(=O)[C@H](CCCC[NH2+][C@H]1CCN[C@H](C)C1)NC(=O)CNC(C)=O ZINC001246518402 846099889 /nfs/dbraw/zinc/09/98/89/846099889.db2.gz HDYUWOIQNXBRRH-SNPRPXQTSA-N 1 3 356.467 -0.319 20 0 FBADHO COC(=O)[C@H](CCCC[NH2+][C@@H]1CCN[C@H](C)C1)NC(=O)CNC(C)=O ZINC001246518403 846099908 /nfs/dbraw/zinc/09/99/08/846099908.db2.gz HDYUWOIQNXBRRH-YUELXQCFSA-N 1 3 356.467 -0.319 20 0 FBADHO COC(=O)C1C[C@@H]2CC(N3CCOC[C@@]4(CNCCO4)C3)C[C@H](C1)[NH2+]2 ZINC001246599460 846100437 /nfs/dbraw/zinc/10/04/37/846100437.db2.gz CTEQWPIQNPUYCA-FOGFMGOISA-N 1 3 353.463 -0.251 20 0 FBADHO COC(=O)C1C[C@@H]2CC(N3CCOC[C@]4(CNCCO4)C3)C[C@H](C1)[NH2+]2 ZINC001246599462 846099583 /nfs/dbraw/zinc/09/95/83/846099583.db2.gz CTEQWPIQNPUYCA-ZAFVQBNWSA-N 1 3 353.463 -0.251 20 0 FBADHO CS(=O)(=O)N(Cc1noc2c1CNCC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246685492 846102603 /nfs/dbraw/zinc/10/26/03/846102603.db2.gz FFAZWEGNNCSJEY-LLVKDONJSA-N 1 3 355.464 -0.824 20 0 FBADHO CS(=O)(=O)N(Cc1noc2c1CNCC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246685495 846102273 /nfs/dbraw/zinc/10/22/73/846102273.db2.gz FFAZWEGNNCSJEY-NSHDSACASA-N 1 3 355.464 -0.824 20 0 FBADHO COC(=O)[C@H]1C[C@H](N(CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940726 846110046 /nfs/dbraw/zinc/11/00/46/846110046.db2.gz XVRBPXOEKXHQKU-DLBZAZTESA-N 1 3 354.495 -0.476 20 0 FBADHO COC(=O)[C@H]1C[C@@H](N(CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940757 846110229 /nfs/dbraw/zinc/11/02/29/846110229.db2.gz XVRBPXOEKXHQKU-IAGOWNOFSA-N 1 3 354.495 -0.476 20 0 FBADHO COC(=O)[C@@H]1C[C@H](N(CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940758 846110323 /nfs/dbraw/zinc/11/03/23/846110323.db2.gz XVRBPXOEKXHQKU-IRXDYDNUSA-N 1 3 354.495 -0.476 20 0 FBADHO COC(=O)[C@@H]1C[C@@H](N(CCN2CCOCC2)CC2CC[NH2+]CC2)CN1 ZINC001246940759 846110021 /nfs/dbraw/zinc/11/00/21/846110021.db2.gz XVRBPXOEKXHQKU-SJORKVTESA-N 1 3 354.495 -0.476 20 0 FBADHO CS(=O)(=O)N(CC[NH3+])Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248899898 846126528 /nfs/dbraw/zinc/12/65/28/846126528.db2.gz WGGWMAAYSWBZGR-UHFFFAOYSA-N 1 3 352.420 -0.502 20 0 FBADHO CN(C)Cc1cc(=O)n2c(n1)CN(C(=S)NCC[NH+](C)C)CCC2 ZINC001249833346 846128257 /nfs/dbraw/zinc/12/82/57/846128257.db2.gz QIJNUUAJRXQNQR-UHFFFAOYSA-N 1 3 352.508 -0.053 20 0 FBADHO COCC[N@H+]1CCO[C@@H]2CN(C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016099 846136598 /nfs/dbraw/zinc/13/65/98/846136598.db2.gz IUEHNMWSTCACDT-FGTMMUONSA-N 1 3 357.495 -0.651 20 0 FBADHO COCC[N@@H+]1CCO[C@@H]2CN(C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016099 846136595 /nfs/dbraw/zinc/13/65/95/846136595.db2.gz IUEHNMWSTCACDT-FGTMMUONSA-N 1 3 357.495 -0.651 20 0 FBADHO COCC[N@H+]1CCO[C@@H]2CN(C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016100 846136570 /nfs/dbraw/zinc/13/65/70/846136570.db2.gz IUEHNMWSTCACDT-KZNAEPCWSA-N 1 3 357.495 -0.651 20 0 FBADHO COCC[N@@H+]1CCO[C@@H]2CN(C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251016100 846136567 /nfs/dbraw/zinc/13/65/67/846136567.db2.gz IUEHNMWSTCACDT-KZNAEPCWSA-N 1 3 357.495 -0.651 20 0 FBADHO CN(C)S(=O)(=O)N1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001251077859 846141816 /nfs/dbraw/zinc/14/18/16/846141816.db2.gz ADALFVIKFHINOG-UHFFFAOYSA-N 1 3 373.567 -0.031 20 0 FBADHO COC(=O)[C@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252417093 846186508 /nfs/dbraw/zinc/18/65/08/846186508.db2.gz HFOXNIKIOXXQAG-BZUAXINKSA-N 1 3 353.463 -0.073 20 0 FBADHO COC(=O)[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252417095 846186315 /nfs/dbraw/zinc/18/63/15/846186315.db2.gz HFOXNIKIOXXQAG-OAGGEKHMSA-N 1 3 353.463 -0.073 20 0 FBADHO COC(=O)[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001252417684 846186086 /nfs/dbraw/zinc/18/60/86/846186086.db2.gz LULZMXUVWWNVFT-JFIYKMOQSA-N 1 3 355.479 -0.219 20 0 FBADHO COC(=O)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001252417684 846186081 /nfs/dbraw/zinc/18/60/81/846186081.db2.gz LULZMXUVWWNVFT-JFIYKMOQSA-N 1 3 355.479 -0.219 20 0 FBADHO COC(=O)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001252417685 846186222 /nfs/dbraw/zinc/18/62/22/846186222.db2.gz LULZMXUVWWNVFT-SOLBZPMBSA-N 1 3 355.479 -0.219 20 0 FBADHO COC(=O)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001252417685 846186219 /nfs/dbraw/zinc/18/62/19/846186219.db2.gz LULZMXUVWWNVFT-SOLBZPMBSA-N 1 3 355.479 -0.219 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001252932971 846204334 /nfs/dbraw/zinc/20/43/34/846204334.db2.gz ZQIPSTXWLIONCE-RRFJBIMHSA-N 1 3 355.483 -0.443 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001252932971 846204325 /nfs/dbraw/zinc/20/43/25/846204325.db2.gz ZQIPSTXWLIONCE-RRFJBIMHSA-N 1 3 355.483 -0.443 20 0 FBADHO OCCN(CCO)CCC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252944551 846205914 /nfs/dbraw/zinc/20/59/14/846205914.db2.gz YTCMHBVXFKIYOQ-IBGZPJMESA-N 1 3 351.491 -0.110 20 0 FBADHO OCCN(CCO)CCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252944553 846205302 /nfs/dbraw/zinc/20/53/02/846205302.db2.gz YTCMHBVXFKIYOQ-LJQANCHMSA-N 1 3 351.491 -0.110 20 0 FBADHO OC[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H](O)[C@@H]1O ZINC001254049500 846244247 /nfs/dbraw/zinc/24/42/47/846244247.db2.gz FVWIIFRKEBOVHK-TVFCKZIOSA-N 1 3 350.459 -0.294 20 0 FBADHO COC(=O)c1cn(CCc2cn(CCCC[NH2+]CCCN)nn2)nn1 ZINC001254163961 846249667 /nfs/dbraw/zinc/24/96/67/846249667.db2.gz BQDUJNPMKWZEKT-UHFFFAOYSA-N 1 3 350.427 -0.383 20 0 FBADHO CS(=O)(=O)N1CCN(CC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681853 846347924 /nfs/dbraw/zinc/34/79/24/846347924.db2.gz DOCSWOJZVMYFJD-UHFFFAOYSA-N 1 3 374.551 -0.203 20 0 FBADHO Cn1cnn(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1=O ZINC001261238033 846514909 /nfs/dbraw/zinc/51/49/09/846514909.db2.gz OKVPEEFFBXQTNO-UHFFFAOYSA-N 1 3 350.467 -0.353 20 0 FBADHO CCC[C@@]1(CO)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261321203 846522414 /nfs/dbraw/zinc/52/24/14/846522414.db2.gz WYLREFVUEWFYLT-GOSISDBHSA-N 1 3 356.511 -0.051 20 0 FBADHO CCC[C@]1(CO)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261321204 846522603 /nfs/dbraw/zinc/52/26/03/846522603.db2.gz WYLREFVUEWFYLT-SFHVURJKSA-N 1 3 356.511 -0.051 20 0 FBADHO O=C1N[C@H]2CN(CCCN3CCOCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001261503061 846551175 /nfs/dbraw/zinc/55/11/75/846551175.db2.gz LAIREXUKNRBUHE-DLBZAZTESA-N 1 3 351.495 -0.071 20 0 FBADHO O=C1N[C@@H]2CN(CCCN3CCOCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC001261503062 846551264 /nfs/dbraw/zinc/55/12/64/846551264.db2.gz LAIREXUKNRBUHE-IAGOWNOFSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C1N[C@H]2CN(CCCN3CCOCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001261503063 846551248 /nfs/dbraw/zinc/55/12/48/846551248.db2.gz LAIREXUKNRBUHE-IRXDYDNUSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C1N[C@@H]2CN(CCCN3CCOCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC001261503064 846551201 /nfs/dbraw/zinc/55/12/01/846551201.db2.gz LAIREXUKNRBUHE-SJORKVTESA-N 1 3 351.495 -0.071 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC001261610812 846576080 /nfs/dbraw/zinc/57/60/80/846576080.db2.gz ARIUFWWZQIJBFD-GFCCVEGCSA-N 1 3 350.410 -0.833 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC001261610813 846576094 /nfs/dbraw/zinc/57/60/94/846576094.db2.gz ARIUFWWZQIJBFD-LBPRGKRZSA-N 1 3 350.410 -0.833 20 0 FBADHO C[N@@H+](CCCO)C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001261631727 846584621 /nfs/dbraw/zinc/58/46/21/846584621.db2.gz CUCJKSXNPDHTIG-UHFFFAOYSA-N 1 3 352.439 -0.371 20 0 FBADHO C[N@H+](CCCO)C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001261631727 846584611 /nfs/dbraw/zinc/58/46/11/846584611.db2.gz CUCJKSXNPDHTIG-UHFFFAOYSA-N 1 3 352.439 -0.371 20 0 FBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001261632438 846584315 /nfs/dbraw/zinc/58/43/15/846584315.db2.gz BGJPSWXCNBLTFB-CMPLNLGQSA-N 1 3 350.423 -0.754 20 0 FBADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001261632439 846584271 /nfs/dbraw/zinc/58/42/71/846584271.db2.gz BGJPSWXCNBLTFB-JQWIXIFHSA-N 1 3 350.423 -0.754 20 0 FBADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001261632440 846584754 /nfs/dbraw/zinc/58/47/54/846584754.db2.gz BGJPSWXCNBLTFB-PWSUYJOCSA-N 1 3 350.423 -0.754 20 0 FBADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001261632441 846584660 /nfs/dbraw/zinc/58/46/60/846584660.db2.gz BGJPSWXCNBLTFB-ZYHUDNBSSA-N 1 3 350.423 -0.754 20 0 FBADHO C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001261634133 846585505 /nfs/dbraw/zinc/58/55/05/846585505.db2.gz ZKVZIKPSLHPIFE-DZKIICNBSA-N 1 3 352.479 -0.140 20 0 FBADHO C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001261634134 846585528 /nfs/dbraw/zinc/58/55/28/846585528.db2.gz ZKVZIKPSLHPIFE-LZWOXQAQSA-N 1 3 352.479 -0.140 20 0 FBADHO C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001261634135 846585628 /nfs/dbraw/zinc/58/56/28/846585628.db2.gz ZKVZIKPSLHPIFE-OFQRWUPVSA-N 1 3 352.479 -0.140 20 0 FBADHO C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001261634136 846585818 /nfs/dbraw/zinc/58/58/18/846585818.db2.gz ZKVZIKPSLHPIFE-SQWLQELKSA-N 1 3 352.479 -0.140 20 0 FBADHO CC1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC001261634933 846585343 /nfs/dbraw/zinc/58/53/43/846585343.db2.gz QZUWXBVNFLKBHT-HNNXBMFYSA-N 1 3 352.479 -0.138 20 0 FBADHO CC1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC001261634934 846585618 /nfs/dbraw/zinc/58/56/18/846585618.db2.gz QZUWXBVNFLKBHT-OAHLLOKOSA-N 1 3 352.479 -0.138 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nnc2n1CCOC2 ZINC001261660810 846591039 /nfs/dbraw/zinc/59/10/39/846591039.db2.gz WZHLGAWBIUNYGA-ZDUSSCGKSA-N 1 3 353.471 -0.121 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nnc2n1CCOC2 ZINC001261660810 846591036 /nfs/dbraw/zinc/59/10/36/846591036.db2.gz WZHLGAWBIUNYGA-ZDUSSCGKSA-N 1 3 353.471 -0.121 20 0 FBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001261875363 846645154 /nfs/dbraw/zinc/64/51/54/846645154.db2.gz DYCDXWOCYXZUET-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001261875364 846644953 /nfs/dbraw/zinc/64/49/53/846644953.db2.gz DYCDXWOCYXZUET-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO O=C(CNC[C@H]1CCCO1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261892055 846647499 /nfs/dbraw/zinc/64/74/99/846647499.db2.gz XGTOJTBFRWHECI-KFWWJZLASA-N 1 3 352.435 -0.461 20 0 FBADHO O=C(CNC[C@@H]1CCCO1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261892056 846647396 /nfs/dbraw/zinc/64/73/96/846647396.db2.gz XGTOJTBFRWHECI-ZNMIVQPWSA-N 1 3 352.435 -0.461 20 0 FBADHO COC(=O)C1(O)CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001261949714 846658411 /nfs/dbraw/zinc/65/84/11/846658411.db2.gz KVPRHHPDMRQFKE-UHFFFAOYSA-N 1 3 354.451 -0.526 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@H]1CC[NH3+] ZINC001262161810 846681566 /nfs/dbraw/zinc/68/15/66/846681566.db2.gz VCYUKAWIKXUCHR-HZPDHXFCSA-N 1 3 353.511 -0.474 20 0 FBADHO CN1CCN(Cc2cccc(CNS(=O)(=O)N3CC[NH2+]CC3)c2)CC1 ZINC001262195720 846685528 /nfs/dbraw/zinc/68/55/28/846685528.db2.gz JUZRAWUHQFAYTI-UHFFFAOYSA-N 1 3 367.519 -0.326 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001262202876 846686635 /nfs/dbraw/zinc/68/66/35/846686635.db2.gz FRGZVNQNTRZVPH-JKSUJKDBSA-N 1 3 351.495 -0.850 20 0 FBADHO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)C[C@H]2C1 ZINC001262489244 846719186 /nfs/dbraw/zinc/71/91/86/846719186.db2.gz URGOYFXRBGWAEL-ARFHVFGLSA-N 1 3 351.495 -0.804 20 0 FBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)C[C@H]2C1 ZINC001262489245 846719139 /nfs/dbraw/zinc/71/91/39/846719139.db2.gz URGOYFXRBGWAEL-BZUAXINKSA-N 1 3 351.495 -0.804 20 0 FBADHO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCNCCNCC3)C[C@@H]2C1 ZINC001262489246 846718931 /nfs/dbraw/zinc/71/89/31/846718931.db2.gz URGOYFXRBGWAEL-HRCADAONSA-N 1 3 351.495 -0.804 20 0 FBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCNCCNCC3)C[C@@H]2C1 ZINC001262489247 846719132 /nfs/dbraw/zinc/71/91/32/846719132.db2.gz URGOYFXRBGWAEL-OWCLPIDISA-N 1 3 351.495 -0.804 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2OCCO2)C1 ZINC001262511305 846724854 /nfs/dbraw/zinc/72/48/54/846724854.db2.gz JLBXHUNUBRJQAO-AWEZNQCLSA-N 1 3 356.467 -0.840 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2OCCO2)C1 ZINC001262511306 846724957 /nfs/dbraw/zinc/72/49/57/846724957.db2.gz JLBXHUNUBRJQAO-CQSZACIVSA-N 1 3 356.467 -0.840 20 0 FBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCNCCC23CCOCC3)C1 ZINC001262546965 846735911 /nfs/dbraw/zinc/73/59/11/846735911.db2.gz LUMVRHMQUBIXBK-GASCZTMLSA-N 1 3 352.479 -0.186 20 0 FBADHO CC(C)[C@H](CNC(=O)NCCN1CCC([NH3+])CC1)N1CCN(C)CC1 ZINC001262560748 846738157 /nfs/dbraw/zinc/73/81/57/846738157.db2.gz AJCJICIOLJJNKB-KRWDZBQOSA-N 1 3 354.543 -0.019 20 0 FBADHO CC(C)[C@@H](CNC(=O)NCCN1CCC([NH3+])CC1)N1CCN(C)CC1 ZINC001262560749 846737796 /nfs/dbraw/zinc/73/77/96/846737796.db2.gz AJCJICIOLJJNKB-QGZVFWFLSA-N 1 3 354.543 -0.019 20 0 FBADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262594004 846742729 /nfs/dbraw/zinc/74/27/29/846742729.db2.gz HXDQWCDRGDFKCD-AWEZNQCLSA-N 1 3 356.467 -0.109 20 0 FBADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001262594005 846742753 /nfs/dbraw/zinc/74/27/53/846742753.db2.gz HXDQWCDRGDFKCD-CQSZACIVSA-N 1 3 356.467 -0.109 20 0 FBADHO O=C(N1CC[C@H](CN2CCCCC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263102086 846754877 /nfs/dbraw/zinc/75/48/77/846754877.db2.gz KHMQYAFRBCDAEZ-VYDXJSESSA-N 1 3 355.504 -0.045 20 0 FBADHO O=C(N1CC[C@@H](CN2CCCCC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263102087 846754868 /nfs/dbraw/zinc/75/48/68/846754868.db2.gz KHMQYAFRBCDAEZ-ZOBUZTSGSA-N 1 3 355.504 -0.045 20 0 FBADHO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NC[C@@H]1Cc2ccccc2CN1 ZINC001263178342 846759460 /nfs/dbraw/zinc/75/94/60/846759460.db2.gz JYRRJMSRAGMGHW-LTIDMASMSA-N 1 3 363.483 -0.160 20 0 FBADHO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NC[C@H]1Cc2ccccc2CN1 ZINC001263178343 846759608 /nfs/dbraw/zinc/75/96/08/846759608.db2.gz JYRRJMSRAGMGHW-QBPKDAKJSA-N 1 3 363.483 -0.160 20 0 FBADHO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NC[C@H]1Cc2ccccc2CN1 ZINC001263178344 846759937 /nfs/dbraw/zinc/75/99/37/846759937.db2.gz JYRRJMSRAGMGHW-WCXIOVBPSA-N 1 3 363.483 -0.160 20 0 FBADHO O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NC[C@@H]1Cc2ccccc2CN1 ZINC001263178345 846760172 /nfs/dbraw/zinc/76/01/72/846760172.db2.gz JYRRJMSRAGMGHW-YYIAUSFCSA-N 1 3 363.483 -0.160 20 0 FBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001263181015 846759823 /nfs/dbraw/zinc/75/98/23/846759823.db2.gz AKNITNAWPXVBSC-KRWDZBQOSA-N 1 3 352.479 -0.177 20 0 FBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001263181016 846759860 /nfs/dbraw/zinc/75/98/60/846759860.db2.gz AKNITNAWPXVBSC-QGZVFWFLSA-N 1 3 352.479 -0.177 20 0 FBADHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773455 846772490 /nfs/dbraw/zinc/77/24/90/846772490.db2.gz VEVPTUCHJUILSU-CVEARBPZSA-N 1 3 352.479 -0.940 20 0 FBADHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773455 846772479 /nfs/dbraw/zinc/77/24/79/846772479.db2.gz VEVPTUCHJUILSU-CVEARBPZSA-N 1 3 352.479 -0.940 20 0 FBADHO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773456 846772438 /nfs/dbraw/zinc/77/24/38/846772438.db2.gz VEVPTUCHJUILSU-HOTGVXAUSA-N 1 3 352.479 -0.940 20 0 FBADHO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773456 846772431 /nfs/dbraw/zinc/77/24/31/846772431.db2.gz VEVPTUCHJUILSU-HOTGVXAUSA-N 1 3 352.479 -0.940 20 0 FBADHO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773457 846772651 /nfs/dbraw/zinc/77/26/51/846772651.db2.gz VEVPTUCHJUILSU-HZPDHXFCSA-N 1 3 352.479 -0.940 20 0 FBADHO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773457 846772644 /nfs/dbraw/zinc/77/26/44/846772644.db2.gz VEVPTUCHJUILSU-HZPDHXFCSA-N 1 3 352.479 -0.940 20 0 FBADHO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773458 846772212 /nfs/dbraw/zinc/77/22/12/846772212.db2.gz VEVPTUCHJUILSU-JKSUJKDBSA-N 1 3 352.479 -0.940 20 0 FBADHO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001263773458 846772206 /nfs/dbraw/zinc/77/22/06/846772206.db2.gz VEVPTUCHJUILSU-JKSUJKDBSA-N 1 3 352.479 -0.940 20 0 FBADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)N(C)C ZINC001263906496 846778547 /nfs/dbraw/zinc/77/85/47/846778547.db2.gz MFQKLHOERXAASS-BFHYXJOUSA-N 1 3 353.467 -0.247 20 0 FBADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001264000466 846791290 /nfs/dbraw/zinc/79/12/90/846791290.db2.gz QTCJWBHQWKBPKM-OCCSQVGLSA-N 1 3 353.467 -0.260 20 0 FBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCCC1 ZINC001264008381 846792271 /nfs/dbraw/zinc/79/22/71/846792271.db2.gz NMGHJPFWBACEOK-KGLIPLIRSA-N 1 3 353.467 -0.246 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001264119033 846802549 /nfs/dbraw/zinc/80/25/49/846802549.db2.gz SHPAXSVVUAUVQU-HZSPNIEDSA-N 1 3 353.467 -0.118 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001264119033 846802543 /nfs/dbraw/zinc/80/25/43/846802543.db2.gz SHPAXSVVUAUVQU-HZSPNIEDSA-N 1 3 353.467 -0.118 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001264119034 846802525 /nfs/dbraw/zinc/80/25/25/846802525.db2.gz SHPAXSVVUAUVQU-MGPQQGTHSA-N 1 3 353.467 -0.118 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NCC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001264119034 846802519 /nfs/dbraw/zinc/80/25/19/846802519.db2.gz SHPAXSVVUAUVQU-MGPQQGTHSA-N 1 3 353.467 -0.118 20 0 FBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001264141572 846805892 /nfs/dbraw/zinc/80/58/92/846805892.db2.gz CIUIHWXAFIZOCI-ILXRZTDVSA-N 1 3 353.467 -0.355 20 0 FBADHO CC(=O)NCCOCCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001264167839 846812092 /nfs/dbraw/zinc/81/20/92/846812092.db2.gz CLOGJCJZFZMXAJ-ZBFHGGJFSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001264466321 846819674 /nfs/dbraw/zinc/81/96/74/846819674.db2.gz WACMDRJZXBFIRO-FRRDWIJNSA-N 1 3 353.467 -0.071 20 0 FBADHO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(=O)NC(N)=O ZINC001264466322 846819850 /nfs/dbraw/zinc/81/98/50/846819850.db2.gz WACMDRJZXBFIRO-RWMBFGLXSA-N 1 3 353.467 -0.071 20 0 FBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001264499777 846823728 /nfs/dbraw/zinc/82/37/28/846823728.db2.gz GCFGEMWSOUAVFA-ARFHVFGLSA-N 1 3 355.458 -0.024 20 0 FBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001264499778 846823311 /nfs/dbraw/zinc/82/33/11/846823311.db2.gz GCFGEMWSOUAVFA-HRCADAONSA-N 1 3 355.458 -0.024 20 0 FBADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001264533417 846827799 /nfs/dbraw/zinc/82/77/99/846827799.db2.gz GNXWCCPYRLABNF-ARFHVFGLSA-N 1 3 354.495 -0.131 20 0 FBADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001264533418 846827831 /nfs/dbraw/zinc/82/78/31/846827831.db2.gz GNXWCCPYRLABNF-BZUAXINKSA-N 1 3 354.495 -0.131 20 0 FBADHO C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](CNCC(N)=O)C1 ZINC001264561639 846829459 /nfs/dbraw/zinc/82/94/59/846829459.db2.gz VHEGIPXOMALAIJ-HIFRSBDPSA-N 1 3 350.467 -0.240 20 0 FBADHO CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001264567156 846829954 /nfs/dbraw/zinc/82/99/54/846829954.db2.gz WGSWGDLRAPSZPY-MCIONIFRSA-N 1 3 353.467 -0.390 20 0 FBADHO CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001264567156 846829950 /nfs/dbraw/zinc/82/99/50/846829950.db2.gz WGSWGDLRAPSZPY-MCIONIFRSA-N 1 3 353.467 -0.390 20 0 FBADHO CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264567157 846829550 /nfs/dbraw/zinc/82/95/50/846829550.db2.gz WGSWGDLRAPSZPY-RDBSUJKOSA-N 1 3 353.467 -0.390 20 0 FBADHO CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001264567157 846829541 /nfs/dbraw/zinc/82/95/41/846829541.db2.gz WGSWGDLRAPSZPY-RDBSUJKOSA-N 1 3 353.467 -0.390 20 0 FBADHO COC[C@H](O)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001264700996 846845112 /nfs/dbraw/zinc/84/51/12/846845112.db2.gz CIUIHWXAFIZOCI-KFWWJZLASA-N 1 3 353.467 -0.355 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001264726139 846851991 /nfs/dbraw/zinc/85/19/91/846851991.db2.gz JTACPSSUYZZYKK-KGLIPLIRSA-N 1 3 353.467 -0.151 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001264726139 846851983 /nfs/dbraw/zinc/85/19/83/846851983.db2.gz JTACPSSUYZZYKK-KGLIPLIRSA-N 1 3 353.467 -0.151 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001265430729 846860639 /nfs/dbraw/zinc/86/06/39/846860639.db2.gz HENRSNQBHHHMGE-KWCYVHTRSA-N 1 3 351.451 -0.495 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001265430729 846860635 /nfs/dbraw/zinc/86/06/35/846860635.db2.gz HENRSNQBHHHMGE-KWCYVHTRSA-N 1 3 351.451 -0.495 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001265430780 846860968 /nfs/dbraw/zinc/86/09/68/846860968.db2.gz IXOFQSYDIZNDBC-VNQPRFMTSA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001265430780 846860963 /nfs/dbraw/zinc/86/09/63/846860963.db2.gz IXOFQSYDIZNDBC-VNQPRFMTSA-N 1 3 352.479 -0.188 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001265670133 846863110 /nfs/dbraw/zinc/86/31/10/846863110.db2.gz LYMZBGMMQVQILN-HZSPNIEDSA-N 1 3 353.467 -0.118 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001265670133 846863102 /nfs/dbraw/zinc/86/31/02/846863102.db2.gz LYMZBGMMQVQILN-HZSPNIEDSA-N 1 3 353.467 -0.118 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001265670134 846863941 /nfs/dbraw/zinc/86/39/41/846863941.db2.gz LYMZBGMMQVQILN-MELADBBJSA-N 1 3 353.467 -0.118 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001265670134 846863932 /nfs/dbraw/zinc/86/39/32/846863932.db2.gz LYMZBGMMQVQILN-MELADBBJSA-N 1 3 353.467 -0.118 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001265777617 846864080 /nfs/dbraw/zinc/86/40/80/846864080.db2.gz QPUGSHMMNFKLJR-QLFBSQMISA-N 1 3 360.524 -0.154 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001265777617 846864067 /nfs/dbraw/zinc/86/40/67/846864067.db2.gz QPUGSHMMNFKLJR-QLFBSQMISA-N 1 3 360.524 -0.154 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001265777618 846863340 /nfs/dbraw/zinc/86/33/40/846863340.db2.gz QPUGSHMMNFKLJR-SOUVJXGZSA-N 1 3 360.524 -0.154 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001265777618 846863321 /nfs/dbraw/zinc/86/33/21/846863321.db2.gz QPUGSHMMNFKLJR-SOUVJXGZSA-N 1 3 360.524 -0.154 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCCNS(=O)(=O)CC)C2)CC[N@H+]1C ZINC001265905182 846865853 /nfs/dbraw/zinc/86/58/53/846865853.db2.gz 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ZINC001271658430 836381148 /nfs/dbraw/zinc/38/11/48/836381148.db2.gz PKHZXIDNVDJQQD-HNNXBMFYSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)CCN1CC2(CN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001271658430 836381133 /nfs/dbraw/zinc/38/11/33/836381133.db2.gz PKHZXIDNVDJQQD-HNNXBMFYSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)CCN1CC2(CN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001271658431 836381754 /nfs/dbraw/zinc/38/17/54/836381754.db2.gz PKHZXIDNVDJQQD-OAHLLOKOSA-N 1 3 352.479 -0.280 20 0 FBADHO CN(C)CCN1CC2(CN(C(=O)C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001271658431 836381746 /nfs/dbraw/zinc/38/17/46/836381746.db2.gz PKHZXIDNVDJQQD-OAHLLOKOSA-N 1 3 352.479 -0.280 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C[C@H](O)CN2CCCC2=O)CC[N@H+]1C ZINC001272020029 836419722 /nfs/dbraw/zinc/41/97/22/836419722.db2.gz FINGVVDUSCOVRE-OWCLPIDISA-N 1 3 354.495 -0.300 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001272020029 836419713 /nfs/dbraw/zinc/41/97/13/836419713.db2.gz FINGVVDUSCOVRE-OWCLPIDISA-N 1 3 354.495 -0.300 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)NCC(C)(C)C)CC[N@H+]1C ZINC001272425049 836988769 /nfs/dbraw/zinc/98/87/69/836988769.db2.gz GYBIVJNDYKHSBH-QLFBSQMISA-N 1 3 356.511 -0.054 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001272425049 836988762 /nfs/dbraw/zinc/98/87/62/836988762.db2.gz GYBIVJNDYKHSBH-QLFBSQMISA-N 1 3 356.511 -0.054 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NCC(C)(C)C)CC[N@H+]1C ZINC001272425050 836988506 /nfs/dbraw/zinc/98/85/06/836988506.db2.gz GYBIVJNDYKHSBH-SOUVJXGZSA-N 1 3 356.511 -0.054 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001272425050 836988496 /nfs/dbraw/zinc/98/84/96/836988496.db2.gz GYBIVJNDYKHSBH-SOUVJXGZSA-N 1 3 356.511 -0.054 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)CC[N@H+]1C ZINC001272425471 836988285 /nfs/dbraw/zinc/98/82/85/836988285.db2.gz MXOYPQKKWZFEHH-HRCADAONSA-N 1 3 354.495 -0.158 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001272425471 836988275 /nfs/dbraw/zinc/98/82/75/836988275.db2.gz MXOYPQKKWZFEHH-HRCADAONSA-N 1 3 354.495 -0.158 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)CC[N@H+]1C ZINC001272425472 836989196 /nfs/dbraw/zinc/98/91/96/836989196.db2.gz MXOYPQKKWZFEHH-OWCLPIDISA-N 1 3 354.495 -0.158 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001272425472 836989188 /nfs/dbraw/zinc/98/91/88/836989188.db2.gz MXOYPQKKWZFEHH-OWCLPIDISA-N 1 3 354.495 -0.158 20 0 FBADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001272820415 837370186 /nfs/dbraw/zinc/37/01/86/837370186.db2.gz HMPQVMIPAZAULC-HNNXBMFYSA-N 1 3 352.479 -0.282 20 0 FBADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001272820415 837370178 /nfs/dbraw/zinc/37/01/78/837370178.db2.gz HMPQVMIPAZAULC-HNNXBMFYSA-N 1 3 352.479 -0.282 20 0 FBADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001272820416 837371292 /nfs/dbraw/zinc/37/12/92/837371292.db2.gz HMPQVMIPAZAULC-OAHLLOKOSA-N 1 3 352.479 -0.282 20 0 FBADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)C1 ZINC001272820416 837371282 /nfs/dbraw/zinc/37/12/82/837371282.db2.gz HMPQVMIPAZAULC-OAHLLOKOSA-N 1 3 352.479 -0.282 20 0 FBADHO CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)C1 ZINC001272822327 837370765 /nfs/dbraw/zinc/37/07/65/837370765.db2.gz XJIONTYLRIWSIC-HNNXBMFYSA-N 1 3 352.479 -0.282 20 0 FBADHO CC(C)[N@@H+]1CC[C@H](C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)C1 ZINC001272822327 837370755 /nfs/dbraw/zinc/37/07/55/837370755.db2.gz XJIONTYLRIWSIC-HNNXBMFYSA-N 1 3 352.479 -0.282 20 0 FBADHO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)C1 ZINC001272822329 837370258 /nfs/dbraw/zinc/37/02/58/837370258.db2.gz XJIONTYLRIWSIC-OAHLLOKOSA-N 1 3 352.479 -0.282 20 0 FBADHO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)C1 ZINC001272822329 837370245 /nfs/dbraw/zinc/37/02/45/837370245.db2.gz XJIONTYLRIWSIC-OAHLLOKOSA-N 1 3 352.479 -0.282 20 0 FBADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272830340 837388744 /nfs/dbraw/zinc/38/87/44/837388744.db2.gz HEDBANJVJFCCMW-HNNXBMFYSA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272830342 837387863 /nfs/dbraw/zinc/38/78/63/837387863.db2.gz HEDBANJVJFCCMW-OAHLLOKOSA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272832527 837391281 /nfs/dbraw/zinc/39/12/81/837391281.db2.gz WIAFVOOJCFHRNN-HNNXBMFYSA-N 1 3 352.479 -0.138 20 0 FBADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001272832528 837391211 /nfs/dbraw/zinc/39/12/11/837391211.db2.gz WIAFVOOJCFHRNN-OAHLLOKOSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001272832529 837391123 /nfs/dbraw/zinc/39/11/23/837391123.db2.gz WJBLXXVNMGNYRL-HNNXBMFYSA-N 1 3 350.463 -0.670 20 0 FBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001272832530 837391329 /nfs/dbraw/zinc/39/13/29/837391329.db2.gz WJBLXXVNMGNYRL-OAHLLOKOSA-N 1 3 350.463 -0.670 20 0 FBADHO CN(C)CCN1CC2(CN(C(=O)CCC[NH+]3CCCC3)C2)OCC1=O ZINC001272832584 837391402 /nfs/dbraw/zinc/39/14/02/837391402.db2.gz KOWBSCKTFBUGST-UHFFFAOYSA-N 1 3 352.479 -0.136 20 0 FBADHO CN(C)CCN1CC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)OCC1=O ZINC001272832772 837390276 /nfs/dbraw/zinc/39/02/76/837390276.db2.gz ZBZKDCQFIRABJA-HNNXBMFYSA-N 1 3 350.463 -0.670 20 0 FBADHO CN(C)CCN1CC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)OCC1=O ZINC001272832831 837390003 /nfs/dbraw/zinc/39/00/03/837390003.db2.gz ZBZKDCQFIRABJA-OAHLLOKOSA-N 1 3 350.463 -0.670 20 0 FBADHO CN(C)CCN1C(=O)COCC12CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001272833993 837394258 /nfs/dbraw/zinc/39/42/58/837394258.db2.gz SXFZPYYWLOTKKL-UHFFFAOYSA-N 1 3 352.479 -0.136 20 0 FBADHO CN1CCC(O)(C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001272836857 837395415 /nfs/dbraw/zinc/39/54/15/837395415.db2.gz PFVQAJMSFBNOIV-KRWDZBQOSA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC(O)(C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001272836858 837395642 /nfs/dbraw/zinc/39/56/42/837395642.db2.gz PFVQAJMSFBNOIV-QGZVFWFLSA-N 1 3 352.479 -0.402 20 0 FBADHO CN1CCC(O)(C(=O)N2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001272836975 837396475 /nfs/dbraw/zinc/39/64/75/837396475.db2.gz QHVJNBQEOBWCSY-KRWDZBQOSA-N 1 3 352.479 -0.544 20 0 FBADHO CN1CCC(O)(C(=O)N2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001272836978 837396202 /nfs/dbraw/zinc/39/62/02/837396202.db2.gz QHVJNBQEOBWCSY-QGZVFWFLSA-N 1 3 352.479 -0.544 20 0 FBADHO CN1CCC(O)(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001272837290 837396498 /nfs/dbraw/zinc/39/64/98/837396498.db2.gz RXNDZDTYJGCSBO-HUUCEWRRSA-N 1 3 352.479 -0.403 20 0 FBADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)N(C)C ZINC001273182331 837802024 /nfs/dbraw/zinc/80/20/24/837802024.db2.gz BCNXSMLUGHNEGX-AEFFLSMTSA-N 1 3 354.495 -0.036 20 0 FBADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)N(C)C ZINC001273182332 837801910 /nfs/dbraw/zinc/80/19/10/837801910.db2.gz BCNXSMLUGHNEGX-SJLPKXTDSA-N 1 3 354.495 -0.036 20 0 FBADHO CN(C)CCN1C[C@]2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)OCC1=O ZINC001273192950 837845352 /nfs/dbraw/zinc/84/53/52/837845352.db2.gz VBVQJDNIHKEKQC-DAYGRLMNSA-N 1 3 352.479 -0.282 20 0 FBADHO CN(C)CCN1C[C@@]2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)OCC1=O ZINC001273192953 837845710 /nfs/dbraw/zinc/84/57/10/837845710.db2.gz VBVQJDNIHKEKQC-RVKKMQEKSA-N 1 3 352.479 -0.282 20 0 FBADHO CN(C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C[C@@]2(F)C1=O ZINC001273193275 837849240 /nfs/dbraw/zinc/84/92/40/837849240.db2.gz VZAWMBWSKGKGQL-DLTLXFJOSA-N 1 3 358.433 -0.011 20 0 FBADHO CCNC(=O)NC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273381413 839224053 /nfs/dbraw/zinc/22/40/53/839224053.db2.gz FUKJJSFAEMKSQT-BFHYXJOUSA-N 1 3 355.483 -0.001 20 0 FBADHO CCNC(=O)NC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381413 839224041 /nfs/dbraw/zinc/22/40/41/839224041.db2.gz FUKJJSFAEMKSQT-BFHYXJOUSA-N 1 3 355.483 -0.001 20 0 FBADHO CCNC(=O)NC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273381418 839224356 /nfs/dbraw/zinc/22/43/56/839224356.db2.gz FUKJJSFAEMKSQT-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CCNC(=O)NC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381418 839224349 /nfs/dbraw/zinc/22/43/49/839224349.db2.gz FUKJJSFAEMKSQT-MGPQQGTHSA-N 1 3 355.483 -0.001 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H](C)C(=O)NC(=O)NC)CC[N@H+]1C ZINC001273381771 839223967 /nfs/dbraw/zinc/22/39/67/839223967.db2.gz IUAWMJODERVZRA-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001273381771 839223955 /nfs/dbraw/zinc/22/39/55/839223955.db2.gz IUAWMJODERVZRA-HZSPNIEDSA-N 1 3 355.483 -0.001 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H](C)C(=O)NC(=O)NC)CC[N@H+]1C ZINC001273381773 839224575 /nfs/dbraw/zinc/22/45/75/839224575.db2.gz IUAWMJODERVZRA-MELADBBJSA-N 1 3 355.483 -0.001 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001273381773 839224563 /nfs/dbraw/zinc/22/45/63/839224563.db2.gz IUAWMJODERVZRA-MELADBBJSA-N 1 3 355.483 -0.001 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC2(CNCCS(C)(=O)=O)CCOCC2)CC[N@H+]1C ZINC001273974372 841771479 /nfs/dbraw/zinc/77/14/79/841771479.db2.gz FYYGSOCVLAXDSY-ZIAGYGMSSA-N 1 3 361.508 -0.374 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC2(CNCCS(C)(=O)=O)CCOCC2)CC[N@@H+]1C ZINC001273974372 841771476 /nfs/dbraw/zinc/77/14/76/841771476.db2.gz FYYGSOCVLAXDSY-ZIAGYGMSSA-N 1 3 361.508 -0.374 20 0 FBADHO CN1CCC(O)(C(=O)N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001274105497 841799608 /nfs/dbraw/zinc/79/96/08/841799608.db2.gz ZYHSILXVKGJZRV-UHFFFAOYSA-N 1 3 352.479 -0.369 20 0 FBADHO CN1CCC(O)(C(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)CC1 ZINC001274202283 841812303 /nfs/dbraw/zinc/81/23/03/841812303.db2.gz CXWUDPCIPAAXBZ-KBPBESRZSA-N 1 3 350.463 -0.888 20 0 FBADHO CN1CCC(O)(C(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)CC1 ZINC001274202283 841812292 /nfs/dbraw/zinc/81/22/92/841812292.db2.gz CXWUDPCIPAAXBZ-KBPBESRZSA-N 1 3 350.463 -0.888 20 0 FBADHO CN1CCC(O)(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)CC1 ZINC001274202284 841812518 /nfs/dbraw/zinc/81/25/18/841812518.db2.gz CXWUDPCIPAAXBZ-ZIAGYGMSSA-N 1 3 350.463 -0.888 20 0 FBADHO CN1CCC(O)(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)CC1 ZINC001274202284 841812509 /nfs/dbraw/zinc/81/25/09/841812509.db2.gz CXWUDPCIPAAXBZ-ZIAGYGMSSA-N 1 3 350.463 -0.888 20 0 FBADHO CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001274368901 841838298 /nfs/dbraw/zinc/83/82/98/841838298.db2.gz AARVVGWWNCXKMB-GOSISDBHSA-N 1 3 351.495 -0.563 20 0 FBADHO CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001274368901 841838285 /nfs/dbraw/zinc/83/82/85/841838285.db2.gz AARVVGWWNCXKMB-GOSISDBHSA-N 1 3 351.495 -0.563 20 0 FBADHO CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001274368904 841838675 /nfs/dbraw/zinc/83/86/75/841838675.db2.gz AARVVGWWNCXKMB-SFHVURJKSA-N 1 3 351.495 -0.563 20 0 FBADHO CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001274368904 841838664 /nfs/dbraw/zinc/83/86/64/841838664.db2.gz AARVVGWWNCXKMB-SFHVURJKSA-N 1 3 351.495 -0.563 20 0 FBADHO CC[NH+]1CCN(CC(=O)N2CC[C@H]3CN(CC(=O)N(C)C)C[C@H]32)CC1 ZINC001274369404 841838485 /nfs/dbraw/zinc/83/84/85/841838485.db2.gz FCTVJPWMRATWNS-JKSUJKDBSA-N 1 3 351.495 -0.755 20 0 FBADHO CCN1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001274370023 841837964 /nfs/dbraw/zinc/83/79/64/841837964.db2.gz LUFINHJGAYPOIV-UHFFFAOYSA-N 1 3 351.495 -0.754 20 0 FBADHO CCN1CCN(CC(=O)N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001274370023 841837956 /nfs/dbraw/zinc/83/79/56/841837956.db2.gz LUFINHJGAYPOIV-UHFFFAOYSA-N 1 3 351.495 -0.754 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CN[C@H](C)C(=O)NC)CC2)CC[N@H+]1C ZINC001274520671 841855192 /nfs/dbraw/zinc/85/51/92/841855192.db2.gz NQTVNTXTWRJQQH-QLFBSQMISA-N 1 3 354.495 -0.206 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CN[C@H](C)C(=O)NC)CC2)CC[N@@H+]1C ZINC001274520671 841855182 /nfs/dbraw/zinc/85/51/82/841855182.db2.gz NQTVNTXTWRJQQH-QLFBSQMISA-N 1 3 354.495 -0.206 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CN[C@@H](C)C(=O)NC)CC2)CC[N@H+]1C ZINC001274520673 841854968 /nfs/dbraw/zinc/85/49/68/841854968.db2.gz NQTVNTXTWRJQQH-SOUVJXGZSA-N 1 3 354.495 -0.206 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CN[C@@H](C)C(=O)NC)CC2)CC[N@@H+]1C ZINC001274520673 841854961 /nfs/dbraw/zinc/85/49/61/841854961.db2.gz NQTVNTXTWRJQQH-SOUVJXGZSA-N 1 3 354.495 -0.206 20 0 FBADHO COCCOC[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3C)C[C@H]2CC1 ZINC001274909321 841892388 /nfs/dbraw/zinc/89/23/88/841892388.db2.gz WGWBNEWFWAWUBJ-YVSFHVDLSA-N 1 3 355.479 -0.158 20 0 FBADHO COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3C)C[C@H]2CC1 ZINC001274909321 841892376 /nfs/dbraw/zinc/89/23/76/841892376.db2.gz WGWBNEWFWAWUBJ-YVSFHVDLSA-N 1 3 355.479 -0.158 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(C[C@H](O)COC)CC2)CC[N@H+]1C ZINC001274910564 841892469 /nfs/dbraw/zinc/89/24/69/841892469.db2.gz OKUPPISVDYUGQO-HRCADAONSA-N 1 3 357.495 -0.333 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(C[C@H](O)COC)CC2)CC[N@@H+]1C ZINC001274910564 841892457 /nfs/dbraw/zinc/89/24/57/841892457.db2.gz OKUPPISVDYUGQO-HRCADAONSA-N 1 3 357.495 -0.333 20 0 FBADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(CCN3CCOCC3)C2)C1=O ZINC001275286877 841931231 /nfs/dbraw/zinc/93/12/31/841931231.db2.gz GAKYIYKRTODQSZ-GOSISDBHSA-N 1 3 352.479 -0.279 20 0 FBADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(CCN3CCOCC3)C2)C1=O ZINC001275286878 841931590 /nfs/dbraw/zinc/93/15/90/841931590.db2.gz GAKYIYKRTODQSZ-SFHVURJKSA-N 1 3 352.479 -0.279 20 0 FBADHO C[NH+](C)CCN1C[C@]2(CC1=O)COCCN(CCN1CCOCC1)C2 ZINC001275287448 841932522 /nfs/dbraw/zinc/93/25/22/841932522.db2.gz OTHWVJATMBASDU-GOSISDBHSA-N 1 3 354.495 -0.569 20 0 FBADHO C[NH+](C)CCN1C[C@@]2(CC1=O)COCCN(CCN1CCOCC1)C2 ZINC001275287449 841932060 /nfs/dbraw/zinc/93/20/60/841932060.db2.gz OTHWVJATMBASDU-SFHVURJKSA-N 1 3 354.495 -0.569 20 0 FBADHO CCS(=O)(=O)CCN1C[C@@]2(CCN(CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737265 841957441 /nfs/dbraw/zinc/95/74/41/841957441.db2.gz IWQORMLZLPCDMM-KRWDZBQOSA-N 1 3 373.519 -0.276 20 0 FBADHO CCS(=O)(=O)CCN1C[C@]2(CCN(CC3CC[NH2+]CC3)C2)OCC1=O ZINC001275737266 841957483 /nfs/dbraw/zinc/95/74/83/841957483.db2.gz IWQORMLZLPCDMM-QGZVFWFLSA-N 1 3 373.519 -0.276 20 0 FBADHO COCCOC[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[C@H](O)C3)C[C@H]2CC1 ZINC001275800836 841961572 /nfs/dbraw/zinc/96/15/72/841961572.db2.gz HXBDSZVAGAQJEV-BBWFWOEESA-N 1 3 355.479 -0.156 20 0 FBADHO COCCOC[N@H+]1CC[C@H]2CN(C(=O)CN3CC[C@H](O)C3)C[C@H]2CC1 ZINC001275800836 841961567 /nfs/dbraw/zinc/96/15/67/841961567.db2.gz HXBDSZVAGAQJEV-BBWFWOEESA-N 1 3 355.479 -0.156 20 0 FBADHO COCCOC[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001275800837 841962459 /nfs/dbraw/zinc/96/24/59/841962459.db2.gz HXBDSZVAGAQJEV-IXDOHACOSA-N 1 3 355.479 -0.156 20 0 FBADHO COCCOC[N@H+]1CC[C@H]2CN(C(=O)CN3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001275800837 841962454 /nfs/dbraw/zinc/96/24/54/841962454.db2.gz HXBDSZVAGAQJEV-IXDOHACOSA-N 1 3 355.479 -0.156 20 0 FBADHO COC(=O)[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCN(C)C)C3)C1 ZINC001275817619 841966071 /nfs/dbraw/zinc/96/60/71/841966071.db2.gz PLTQCXZEAOKYTF-HNNXBMFYSA-N 1 3 352.479 -0.423 20 0 FBADHO COC(=O)[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCN(C)C)C3)C1 ZINC001275817619 841966064 /nfs/dbraw/zinc/96/60/64/841966064.db2.gz PLTQCXZEAOKYTF-HNNXBMFYSA-N 1 3 352.479 -0.423 20 0 FBADHO COC(=O)[C@H]1CCN(CC(=O)N2CC3(C2)CCN(CC[NH+](C)C)C3)C1 ZINC001275817619 841966061 /nfs/dbraw/zinc/96/60/61/841966061.db2.gz PLTQCXZEAOKYTF-HNNXBMFYSA-N 1 3 352.479 -0.423 20 0 FBADHO CN1CCN(CCCN2CC3(CN(CC[NH+](C)C)C3)OCC2=O)CC1 ZINC001275841714 841967986 /nfs/dbraw/zinc/96/79/86/841967986.db2.gz CAVXYOQFTPIWPN-UHFFFAOYSA-N 1 3 353.511 -0.901 20 0 FBADHO CN1CCN(CCCN2C(=O)COCC23CN(CC[NH+](C)C)C3)CC1 ZINC001275842244 841968797 /nfs/dbraw/zinc/96/87/97/841968797.db2.gz IMAPVYLDBMIQRU-UHFFFAOYSA-N 1 3 353.511 -0.901 20 0 FBADHO COCCCN1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276316148 842094814 /nfs/dbraw/zinc/09/48/14/842094814.db2.gz RSPAIYSNRBFVKO-UHFFFAOYSA-N 1 3 354.495 -0.426 20 0 FBADHO CN(C)CCN1C[C@]2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276794910 844732745 /nfs/dbraw/zinc/73/27/45/844732745.db2.gz CPOMFKGOVVMQDK-CRAIPNDOSA-N 1 3 356.511 -0.400 20 0 FBADHO CN(C)CCN1C[C@@]2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276794911 844732533 /nfs/dbraw/zinc/73/25/33/844732533.db2.gz CPOMFKGOVVMQDK-QAPCUYQASA-N 1 3 356.511 -0.400 20 0 FBADHO CN(C)CCN1C[C@@]2(F)CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@@]2(F)C1=O ZINC001276795535 844736795 /nfs/dbraw/zinc/73/67/95/844736795.db2.gz LWWAROMAGSTJPF-XOKHGSTOSA-N 1 3 362.465 -0.129 20 0 FBADHO C[C@H](CO)CN1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276973832 845785148 /nfs/dbraw/zinc/78/51/48/845785148.db2.gz JQYUFEKAAVBQEM-INIZCTEOSA-N 1 3 354.495 -0.835 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCCN(C)S(C)(=O)=O)CC2)CC[N@H+]1C ZINC001277060105 845806388 /nfs/dbraw/zinc/80/63/88/845806388.db2.gz IHLOMZJZKPNOKI-UONOGXRCSA-N 1 3 360.524 -0.154 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCCN(C)S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001277060105 845806381 /nfs/dbraw/zinc/80/63/81/845806381.db2.gz IHLOMZJZKPNOKI-UONOGXRCSA-N 1 3 360.524 -0.154 20 0 FBADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3c[nH]c(=O)[nH]c3=O)C2)OCC1=O ZINC001277146880 845834323 /nfs/dbraw/zinc/83/43/23/845834323.db2.gz PFBYXAQXRIBKBY-INIZCTEOSA-N 1 3 351.407 -0.747 20 0 FBADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3c[nH]c(=O)[nH]c3=O)C2)OCC1=O ZINC001277146881 845834914 /nfs/dbraw/zinc/83/49/14/845834914.db2.gz PFBYXAQXRIBKBY-MRXNPFEDSA-N 1 3 351.407 -0.747 20 0 FBADHO CNC(=O)NC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277646742 845967691 /nfs/dbraw/zinc/96/76/91/845967691.db2.gz KECUWFDBHOGKHB-BNOWGMLFSA-N 1 3 353.467 -0.391 20 0 FBADHO CNC(=O)NC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277646742 845967684 /nfs/dbraw/zinc/96/76/84/845967684.db2.gz KECUWFDBHOGKHB-BNOWGMLFSA-N 1 3 353.467 -0.391 20 0 FBADHO CNC(=O)NC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277646743 845967751 /nfs/dbraw/zinc/96/77/51/845967751.db2.gz KECUWFDBHOGKHB-MRVWCRGKSA-N 1 3 353.467 -0.391 20 0 FBADHO CNC(=O)NC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277646743 845967744 /nfs/dbraw/zinc/96/77/44/845967744.db2.gz KECUWFDBHOGKHB-MRVWCRGKSA-N 1 3 353.467 -0.391 20 0 FBADHO C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@H](O)CN2CCOCC2)C1=O ZINC001277695975 845972883 /nfs/dbraw/zinc/97/28/83/845972883.db2.gz CCLTULPKKGBNAP-AEFFLSMTSA-N 1 3 354.495 -0.692 20 0 FBADHO C[NH+](C)CCN1CC[C@]2(CCCN2C[C@@H](O)CN2CCOCC2)C1=O ZINC001277695976 845972460 /nfs/dbraw/zinc/97/24/60/845972460.db2.gz CCLTULPKKGBNAP-FUHWJXTLSA-N 1 3 354.495 -0.692 20 0 FBADHO C[NH+](C)CCN1CC[C@]2(CCCN2C[C@H](O)CN2CCOCC2)C1=O ZINC001277695977 845972546 /nfs/dbraw/zinc/97/25/46/845972546.db2.gz CCLTULPKKGBNAP-SJLPKXTDSA-N 1 3 354.495 -0.692 20 0 FBADHO C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@@H](O)CN2CCOCC2)C1=O ZINC001277695978 845972681 /nfs/dbraw/zinc/97/26/81/845972681.db2.gz CCLTULPKKGBNAP-WMZOPIPTSA-N 1 3 354.495 -0.692 20 0 FBADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001277699048 845975043 /nfs/dbraw/zinc/97/50/43/845975043.db2.gz UUWXACDFVWCDDR-AEFFLSMTSA-N 1 3 354.495 -0.835 20 0 FBADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001277699048 845975040 /nfs/dbraw/zinc/97/50/40/845975040.db2.gz UUWXACDFVWCDDR-AEFFLSMTSA-N 1 3 354.495 -0.835 20 0 FBADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001277699049 845974761 /nfs/dbraw/zinc/97/47/61/845974761.db2.gz UUWXACDFVWCDDR-FUHWJXTLSA-N 1 3 354.495 -0.835 20 0 FBADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001277699049 845974755 /nfs/dbraw/zinc/97/47/55/845974755.db2.gz UUWXACDFVWCDDR-FUHWJXTLSA-N 1 3 354.495 -0.835 20 0 FBADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001277699050 845975005 /nfs/dbraw/zinc/97/50/05/845975005.db2.gz UUWXACDFVWCDDR-SJLPKXTDSA-N 1 3 354.495 -0.835 20 0 FBADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001277699050 845975002 /nfs/dbraw/zinc/97/50/02/845975002.db2.gz UUWXACDFVWCDDR-SJLPKXTDSA-N 1 3 354.495 -0.835 20 0 FBADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001277699051 845974950 /nfs/dbraw/zinc/97/49/50/845974950.db2.gz UUWXACDFVWCDDR-WMZOPIPTSA-N 1 3 354.495 -0.835 20 0 FBADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001277699051 845974948 /nfs/dbraw/zinc/97/49/48/845974948.db2.gz UUWXACDFVWCDDR-WMZOPIPTSA-N 1 3 354.495 -0.835 20 0 FBADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H](O)CO)CC1 ZINC001277718834 845981675 /nfs/dbraw/zinc/98/16/75/845981675.db2.gz ISZDOQWYGQNWOS-GVDBMIGSSA-N 1 3 354.495 -0.958 20 0 FBADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](O)CO)CC1 ZINC001277718834 845981667 /nfs/dbraw/zinc/98/16/67/845981667.db2.gz ISZDOQWYGQNWOS-GVDBMIGSSA-N 1 3 354.495 -0.958 20 0 FBADHO CC(C)OC[C@H](O)CN1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794898 846000584 /nfs/dbraw/zinc/00/05/84/846000584.db2.gz QRPXYQQPUZMSRB-AEFFLSMTSA-N 1 3 357.495 -0.115 20 0 FBADHO CC(C)OC[C@@H](O)CN1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794899 846001010 /nfs/dbraw/zinc/00/10/10/846001010.db2.gz QRPXYQQPUZMSRB-FUHWJXTLSA-N 1 3 357.495 -0.115 20 0 FBADHO CC(C)OC[C@H](O)CN1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794900 846001317 /nfs/dbraw/zinc/00/13/17/846001317.db2.gz QRPXYQQPUZMSRB-SJLPKXTDSA-N 1 3 357.495 -0.115 20 0 FBADHO CC(C)OC[C@@H](O)CN1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001277794901 846000536 /nfs/dbraw/zinc/00/05/36/846000536.db2.gz QRPXYQQPUZMSRB-WMZOPIPTSA-N 1 3 357.495 -0.115 20 0 FBADHO CC[NH+](CC)C[C@H](O)CN1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1 ZINC001277835612 846010008 /nfs/dbraw/zinc/01/00/08/846010008.db2.gz LRDVFROBZXYVLD-BHYGNILZSA-N 1 3 362.465 -0.175 20 0 FBADHO CC[NH+](CC)C[C@@H](O)CN1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1 ZINC001277835619 846010224 /nfs/dbraw/zinc/01/02/24/846010224.db2.gz LRDVFROBZXYVLD-HYVNUMGLSA-N 1 3 362.465 -0.175 20 0 FBADHO CCNC(=O)CN1CC[C@@]2(CCN(C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837476 846011435 /nfs/dbraw/zinc/01/14/35/846011435.db2.gz YQHQRZGRJMYYAO-CRAIPNDOSA-N 1 3 354.495 -0.250 20 0 FBADHO CCNC(=O)CN1CC[C@@]2(CCN(C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837477 846011946 /nfs/dbraw/zinc/01/19/46/846011946.db2.gz YQHQRZGRJMYYAO-MAUKXSAKSA-N 1 3 354.495 -0.250 20 0 FBADHO CCNC(=O)CN1CC[C@]2(CCN(C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837478 846011721 /nfs/dbraw/zinc/01/17/21/846011721.db2.gz YQHQRZGRJMYYAO-QAPCUYQASA-N 1 3 354.495 -0.250 20 0 FBADHO CCNC(=O)CN1CC[C@]2(CCN(C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001277837479 846011239 /nfs/dbraw/zinc/01/12/39/846011239.db2.gz YQHQRZGRJMYYAO-YJBOKZPZSA-N 1 3 354.495 -0.250 20 0 FBADHO COCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001278206582 846055438 /nfs/dbraw/zinc/05/54/38/846055438.db2.gz CTVATDWCBWVYJO-GJZGRUSLSA-N 1 3 352.479 -0.377 20 0 FBADHO COCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001278206585 846055853 /nfs/dbraw/zinc/05/58/53/846055853.db2.gz CTVATDWCBWVYJO-HUUCEWRRSA-N 1 3 352.479 -0.377 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001278644734 846176457 /nfs/dbraw/zinc/17/64/57/846176457.db2.gz JFMCGZILYNSBCR-JHJVBQTASA-N 1 3 353.467 -0.391 20 0 FBADHO CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001278644734 846176450 /nfs/dbraw/zinc/17/64/50/846176450.db2.gz JFMCGZILYNSBCR-JHJVBQTASA-N 1 3 353.467 -0.391 20 0 FBADHO CNC(=O)NC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001278644736 846175931 /nfs/dbraw/zinc/17/59/31/846175931.db2.gz JFMCGZILYNSBCR-UPJWGTAASA-N 1 3 353.467 -0.391 20 0 FBADHO CNC(=O)NC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001278644736 846175920 /nfs/dbraw/zinc/17/59/20/846175920.db2.gz JFMCGZILYNSBCR-UPJWGTAASA-N 1 3 353.467 -0.391 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCC3)CCOCC2)CC[N@H+]1C ZINC001278707657 846213569 /nfs/dbraw/zinc/21/35/69/846213569.db2.gz QJHGNZUUMMNUJO-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCC3)CCOCC2)CC[N@@H+]1C ZINC001278707657 846213564 /nfs/dbraw/zinc/21/35/64/846213564.db2.gz QJHGNZUUMMNUJO-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001278755597 846242200 /nfs/dbraw/zinc/24/22/00/846242200.db2.gz HAJVSICKTRXXIC-GRYCIOLGSA-N 1 3 368.400 -0.586 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001278755597 846242194 /nfs/dbraw/zinc/24/21/94/846242194.db2.gz HAJVSICKTRXXIC-GRYCIOLGSA-N 1 3 368.400 -0.586 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001278755599 846242254 /nfs/dbraw/zinc/24/22/54/846242254.db2.gz HAJVSICKTRXXIC-IJLUTSLNSA-N 1 3 368.400 -0.586 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001278755599 846242241 /nfs/dbraw/zinc/24/22/41/846242241.db2.gz HAJVSICKTRXXIC-IJLUTSLNSA-N 1 3 368.400 -0.586 20 0 FBADHO CCn1nnc(C)c1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278756303 846242138 /nfs/dbraw/zinc/24/21/38/846242138.db2.gz NQAZZRJRVVDNNG-QLFBSQMISA-N 1 3 352.483 -0.144 20 0 FBADHO CCn1nnc(C)c1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278756303 846242124 /nfs/dbraw/zinc/24/21/24/846242124.db2.gz NQAZZRJRVVDNNG-QLFBSQMISA-N 1 3 352.483 -0.144 20 0 FBADHO CCn1nnc(C)c1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278756304 846241914 /nfs/dbraw/zinc/24/19/14/846241914.db2.gz NQAZZRJRVVDNNG-RBSFLKMASA-N 1 3 352.483 -0.144 20 0 FBADHO CCn1nnc(C)c1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278756304 846241904 /nfs/dbraw/zinc/24/19/04/846241904.db2.gz NQAZZRJRVVDNNG-RBSFLKMASA-N 1 3 352.483 -0.144 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)CCN2CCNC2=O)CC[N@H+]1C ZINC001278855389 846301033 /nfs/dbraw/zinc/30/10/33/846301033.db2.gz PJGCYSLPKBIOLN-QLFBSQMISA-N 1 3 355.483 -0.897 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CN(C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001278855389 846301021 /nfs/dbraw/zinc/30/10/21/846301021.db2.gz PJGCYSLPKBIOLN-QLFBSQMISA-N 1 3 355.483 -0.897 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)CCN2CCNC2=O)CC[N@H+]1C ZINC001278855390 846301209 /nfs/dbraw/zinc/30/12/09/846301209.db2.gz PJGCYSLPKBIOLN-RBSFLKMASA-N 1 3 355.483 -0.897 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CN(C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001278855390 846301196 /nfs/dbraw/zinc/30/11/96/846301196.db2.gz PJGCYSLPKBIOLN-RBSFLKMASA-N 1 3 355.483 -0.897 20 0 FBADHO C[NH+](C)CCN1CCC2(CN(C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C2)C1 ZINC001279240140 846889561 /nfs/dbraw/zinc/88/95/61/846889561.db2.gz VILPIQHQTOHDEK-OWCLPIDISA-N 1 3 357.495 -0.571 20 0 FBADHO COCCOCN1C[C@@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@H]2C1 ZINC001279484057 846905013 /nfs/dbraw/zinc/90/50/13/846905013.db2.gz LPTFAZVIIVSTTP-HOTGVXAUSA-N 1 3 354.495 -0.319 20 0 FBADHO COCCOCN1C[C@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC001279484058 846904872 /nfs/dbraw/zinc/90/48/72/846904872.db2.gz LPTFAZVIIVSTTP-HZPDHXFCSA-N 1 3 354.495 -0.319 20 0 FBADHO COC(CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12)OC ZINC001279586871 846914928 /nfs/dbraw/zinc/91/49/28/846914928.db2.gz IIJQWDOMJFTIGD-GJZGRUSLSA-N 1 3 354.495 -0.321 20 0 FBADHO COC(CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12)OC ZINC001279586871 846914924 /nfs/dbraw/zinc/91/49/24/846914924.db2.gz IIJQWDOMJFTIGD-GJZGRUSLSA-N 1 3 354.495 -0.321 20 0 FBADHO COC(CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12)OC ZINC001279586875 846915253 /nfs/dbraw/zinc/91/52/53/846915253.db2.gz IIJQWDOMJFTIGD-HUUCEWRRSA-N 1 3 354.495 -0.321 20 0 FBADHO COC(CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12)OC ZINC001279586875 846915246 /nfs/dbraw/zinc/91/52/46/846915246.db2.gz IIJQWDOMJFTIGD-HUUCEWRRSA-N 1 3 354.495 -0.321 20 0 FBADHO C[NH+](C)CCN1CCO[C@H]2CN(CC3CCN(S(C)(=O)=O)CC3)C[C@@H]21 ZINC001279616470 846918191 /nfs/dbraw/zinc/91/81/91/846918191.db2.gz KUUCLPMXDYKYIF-IRXDYDNUSA-N 1 3 374.551 -0.395 20 0 FBADHO C[NH+](C)CCN1CCO[C@H]2CN(CC3CCN(S(C)(=O)=O)CC3)C[C@H]21 ZINC001279616471 846918767 /nfs/dbraw/zinc/91/87/67/846918767.db2.gz KUUCLPMXDYKYIF-SJORKVTESA-N 1 3 374.551 -0.395 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCC(=O)NC2CCCC2)CC[N@H+]1C ZINC001279716393 846922232 /nfs/dbraw/zinc/92/22/32/846922232.db2.gz AMCCVDVVWMBIIQ-GDBMZVCRSA-N 1 3 354.495 -0.204 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001279716393 846922229 /nfs/dbraw/zinc/92/22/29/846922229.db2.gz AMCCVDVVWMBIIQ-GDBMZVCRSA-N 1 3 354.495 -0.204 20 0 FBADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280021575 846959036 /nfs/dbraw/zinc/95/90/36/846959036.db2.gz LHRSTURHGDKSRU-IYBDPMFKSA-N 1 3 352.479 -0.423 20 0 FBADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]2CC1 ZINC001280021575 846959028 /nfs/dbraw/zinc/95/90/28/846959028.db2.gz LHRSTURHGDKSRU-IYBDPMFKSA-N 1 3 352.479 -0.423 20 0 FBADHO C[NH+](C)CCN1CCN(C[C@@H]2COCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001280029015 846962259 /nfs/dbraw/zinc/96/22/59/846962259.db2.gz SQBOIEWABLFXPY-AEFFLSMTSA-N 1 3 354.495 -0.380 20 0 FBADHO C[NH+](C)CCN1CCN(C[C@H]2COCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280029016 846962522 /nfs/dbraw/zinc/96/25/22/846962522.db2.gz SQBOIEWABLFXPY-FUHWJXTLSA-N 1 3 354.495 -0.380 20 0 FBADHO C[NH+](C)CCN1CCN(C[C@@H]2COCCO2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280029017 846962061 /nfs/dbraw/zinc/96/20/61/846962061.db2.gz SQBOIEWABLFXPY-SJLPKXTDSA-N 1 3 354.495 -0.380 20 0 FBADHO C[NH+](C)CCN1CCN(C[C@H]2COCCO2)C[C@]2(CCCC(=O)N2)C1 ZINC001280029018 846962609 /nfs/dbraw/zinc/96/26/09/846962609.db2.gz SQBOIEWABLFXPY-WMZOPIPTSA-N 1 3 354.495 -0.380 20 0 FBADHO CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(CCS(C)(=O)=O)CC3)[C@H]2C1 ZINC001280058739 846969189 /nfs/dbraw/zinc/96/91/89/846969189.db2.gz OVMLTAOHQRSMAS-GJZGRUSLSA-N 1 3 372.535 -0.895 20 0 FBADHO CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CCS(C)(=O)=O)CC3)[C@H]2C1 ZINC001280058739 846969182 /nfs/dbraw/zinc/96/91/82/846969182.db2.gz OVMLTAOHQRSMAS-GJZGRUSLSA-N 1 3 372.535 -0.895 20 0 FBADHO CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(CCS(C)(=O)=O)CC3)[C@@H]2C1 ZINC001280058741 846969091 /nfs/dbraw/zinc/96/90/91/846969091.db2.gz OVMLTAOHQRSMAS-HUUCEWRRSA-N 1 3 372.535 -0.895 20 0 FBADHO CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(CCS(C)(=O)=O)CC3)[C@@H]2C1 ZINC001280058741 846969088 /nfs/dbraw/zinc/96/90/88/846969088.db2.gz OVMLTAOHQRSMAS-HUUCEWRRSA-N 1 3 372.535 -0.895 20 0 FBADHO CN(C)C(=O)CNC(=O)C1=NO[C@@H]2CN(CC3CC[NH+](C)CC3)C[C@H]12 ZINC001280125931 846977853 /nfs/dbraw/zinc/97/78/53/846977853.db2.gz PVWVJGCDHHVWCM-UONOGXRCSA-N 1 3 351.451 -0.781 20 0 FBADHO CS(=O)(=O)CCNC(=O)[C@@H]1COCCC12CN(CC1CC[NH2+]CC1)C2 ZINC001280137952 846980669 /nfs/dbraw/zinc/98/06/69/846980669.db2.gz QWTBTBJLOYZSEG-HNNXBMFYSA-N 1 3 373.519 -0.515 20 0 FBADHO CS(=O)(=O)CCNC(=O)[C@H]1COCCC12CN(CC1CC[NH2+]CC1)C2 ZINC001280137953 846980629 /nfs/dbraw/zinc/98/06/29/846980629.db2.gz QWTBTBJLOYZSEG-OAHLLOKOSA-N 1 3 373.519 -0.515 20 0 FBADHO CCOCC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001280152273 846982580 /nfs/dbraw/zinc/98/25/80/846982580.db2.gz QXFOIVUTSIYRHV-GJZGRUSLSA-N 1 3 352.479 -0.377 20 0 FBADHO CCOCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001280152275 846982180 /nfs/dbraw/zinc/98/21/80/846982180.db2.gz QXFOIVUTSIYRHV-HUUCEWRRSA-N 1 3 352.479 -0.377 20 0 FBADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001280153999 846982860 /nfs/dbraw/zinc/98/28/60/846982860.db2.gz BTUVPOUVVKXLNR-GJZGRUSLSA-N 1 3 352.479 -0.377 20 0 FBADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001280153999 846982858 /nfs/dbraw/zinc/98/28/58/846982858.db2.gz BTUVPOUVVKXLNR-GJZGRUSLSA-N 1 3 352.479 -0.377 20 0 FBADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001280154000 846982712 /nfs/dbraw/zinc/98/27/12/846982712.db2.gz BTUVPOUVVKXLNR-HUUCEWRRSA-N 1 3 352.479 -0.377 20 0 FBADHO COC(=O)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001280154000 846982707 /nfs/dbraw/zinc/98/27/07/846982707.db2.gz BTUVPOUVVKXLNR-HUUCEWRRSA-N 1 3 352.479 -0.377 20 0 FBADHO C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001280202208 846990327 /nfs/dbraw/zinc/99/03/27/846990327.db2.gz XPZCKZDGDCLIHP-KKUMJFAQSA-N 1 3 352.479 -0.785 20 0 FBADHO C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001280202209 846990030 /nfs/dbraw/zinc/99/00/30/846990030.db2.gz XPZCKZDGDCLIHP-RRFJBIMHSA-N 1 3 352.479 -0.785 20 0 FBADHO CC(C)N(C)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001280555964 847017790 /nfs/dbraw/zinc/01/77/90/847017790.db2.gz BBRBZLFEICURMX-HUUCEWRRSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001280555964 847017779 /nfs/dbraw/zinc/01/77/79/847017779.db2.gz BBRBZLFEICURMX-HUUCEWRRSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001280585561 847020193 /nfs/dbraw/zinc/02/01/93/847020193.db2.gz XWVPJBDIJAXTQV-BZUAXINKSA-N 1 3 354.495 -0.084 20 0 FBADHO CC(C)CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001280585561 847020186 /nfs/dbraw/zinc/02/01/86/847020186.db2.gz XWVPJBDIJAXTQV-BZUAXINKSA-N 1 3 354.495 -0.084 20 0 FBADHO CC(C)CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001280585562 847020158 /nfs/dbraw/zinc/02/01/58/847020158.db2.gz XWVPJBDIJAXTQV-OWCLPIDISA-N 1 3 354.495 -0.084 20 0 FBADHO CC(C)CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001280585562 847020151 /nfs/dbraw/zinc/02/01/51/847020151.db2.gz XWVPJBDIJAXTQV-OWCLPIDISA-N 1 3 354.495 -0.084 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001280585599 847020599 /nfs/dbraw/zinc/02/05/99/847020599.db2.gz YRQYLQXRGVSHMP-QLFBSQMISA-N 1 3 361.508 -0.422 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001280585599 847020591 /nfs/dbraw/zinc/02/05/91/847020591.db2.gz YRQYLQXRGVSHMP-QLFBSQMISA-N 1 3 361.508 -0.422 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001280585600 847020310 /nfs/dbraw/zinc/02/03/10/847020310.db2.gz YRQYLQXRGVSHMP-SOUVJXGZSA-N 1 3 361.508 -0.422 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001280585600 847020304 /nfs/dbraw/zinc/02/03/04/847020304.db2.gz YRQYLQXRGVSHMP-SOUVJXGZSA-N 1 3 361.508 -0.422 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001281271737 847048704 /nfs/dbraw/zinc/04/87/04/847048704.db2.gz GIZUSDICEHMXSS-QLFBSQMISA-N 1 3 351.451 -0.382 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001281271737 847048693 /nfs/dbraw/zinc/04/86/93/847048693.db2.gz GIZUSDICEHMXSS-QLFBSQMISA-N 1 3 351.451 -0.382 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001281271738 847048626 /nfs/dbraw/zinc/04/86/26/847048626.db2.gz GIZUSDICEHMXSS-SOUVJXGZSA-N 1 3 351.451 -0.382 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001281271738 847048617 /nfs/dbraw/zinc/04/86/17/847048617.db2.gz GIZUSDICEHMXSS-SOUVJXGZSA-N 1 3 351.451 -0.382 20 0 FBADHO CCN(CC)CC(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001281617125 847062568 /nfs/dbraw/zinc/06/25/68/847062568.db2.gz YFDMVHZPKOJFCI-JKSUJKDBSA-N 1 3 354.495 -0.034 20 0 FBADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001281624186 847066933 /nfs/dbraw/zinc/06/69/33/847066933.db2.gz KYQVQFBTUQEFRM-JKSUJKDBSA-N 1 3 354.495 -0.034 20 0 FBADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001281668523 847101084 /nfs/dbraw/zinc/10/10/84/847101084.db2.gz BADXFKPLKYSDLK-BZUAXINKSA-N 1 3 354.495 -0.111 20 0 FBADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001281668524 847101007 /nfs/dbraw/zinc/10/10/07/847101007.db2.gz BADXFKPLKYSDLK-OWCLPIDISA-N 1 3 354.495 -0.111 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001281671223 847102422 /nfs/dbraw/zinc/10/24/22/847102422.db2.gz CICVCENMMUOBQA-ARFHVFGLSA-N 1 3 352.479 -0.642 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001281671224 847102321 /nfs/dbraw/zinc/10/23/21/847102321.db2.gz CICVCENMMUOBQA-BZUAXINKSA-N 1 3 352.479 -0.642 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1O ZINC001281671258 847102407 /nfs/dbraw/zinc/10/24/07/847102407.db2.gz DLTHKPTXHIVRTN-HZPDHXFCSA-N 1 3 354.495 -0.108 20 0 FBADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001281678257 847108664 /nfs/dbraw/zinc/10/86/64/847108664.db2.gz CLYDFIGILMCYDS-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001281678257 847108658 /nfs/dbraw/zinc/10/86/58/847108658.db2.gz CLYDFIGILMCYDS-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001281678258 847108460 /nfs/dbraw/zinc/10/84/60/847108460.db2.gz CLYDFIGILMCYDS-OWCLPIDISA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1O ZINC001281678258 847108451 /nfs/dbraw/zinc/10/84/51/847108451.db2.gz CLYDFIGILMCYDS-OWCLPIDISA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001281679740 847111545 /nfs/dbraw/zinc/11/15/45/847111545.db2.gz VOLZHRANYWXTJL-BZUAXINKSA-N 1 3 354.495 -0.111 20 0 FBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001281679740 847111541 /nfs/dbraw/zinc/11/15/41/847111541.db2.gz VOLZHRANYWXTJL-BZUAXINKSA-N 1 3 354.495 -0.111 20 0 FBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001281679741 847111511 /nfs/dbraw/zinc/11/15/11/847111511.db2.gz VOLZHRANYWXTJL-OWCLPIDISA-N 1 3 354.495 -0.111 20 0 FBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001281679741 847111508 /nfs/dbraw/zinc/11/15/08/847111508.db2.gz VOLZHRANYWXTJL-OWCLPIDISA-N 1 3 354.495 -0.111 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001281680760 847113660 /nfs/dbraw/zinc/11/36/60/847113660.db2.gz OZXDEXNZUTXROB-HZPDHXFCSA-N 1 3 354.495 -0.108 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001281681797 847115035 /nfs/dbraw/zinc/11/50/35/847115035.db2.gz VUKJBWDZWPVPPO-HZPDHXFCSA-N 1 3 354.495 -0.108 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)N(C)C ZINC001281682156 847114566 /nfs/dbraw/zinc/11/45/66/847114566.db2.gz YGWGYYDIXCORHK-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CN(CC(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O)C1CCC1 ZINC001281684418 847116893 /nfs/dbraw/zinc/11/68/93/847116893.db2.gz NNUMAYRVYDNGHA-HZPDHXFCSA-N 1 3 352.479 -0.500 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)N(C)C ZINC001281686837 847117908 /nfs/dbraw/zinc/11/79/08/847117908.db2.gz VMRNCKDXRMCZDW-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O)N(C)C ZINC001281694801 847128177 /nfs/dbraw/zinc/12/81/77/847128177.db2.gz KXTSITGIWJNHRN-QLFBSQMISA-N 1 3 354.495 -0.111 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O)N(C)C ZINC001281694802 847128422 /nfs/dbraw/zinc/12/84/22/847128422.db2.gz KXTSITGIWJNHRN-RBSFLKMASA-N 1 3 354.495 -0.111 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001281695420 847129339 /nfs/dbraw/zinc/12/93/39/847129339.db2.gz XZIKZVMBIRGMBH-RBSFLKMASA-N 1 3 354.495 -0.254 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001281695420 847129333 /nfs/dbraw/zinc/12/93/33/847129333.db2.gz XZIKZVMBIRGMBH-RBSFLKMASA-N 1 3 354.495 -0.254 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001281695422 847129562 /nfs/dbraw/zinc/12/95/62/847129562.db2.gz XZIKZVMBIRGMBH-RRFJBIMHSA-N 1 3 354.495 -0.254 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001281695422 847129561 /nfs/dbraw/zinc/12/95/61/847129561.db2.gz XZIKZVMBIRGMBH-RRFJBIMHSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1O)N(C)C ZINC001281697947 847131396 /nfs/dbraw/zinc/13/13/96/847131396.db2.gz ALFAYOCNZJKVQV-BFYDXBDKSA-N 1 3 356.511 -0.008 20 0 FBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1O)N(C)C ZINC001281697948 847131065 /nfs/dbraw/zinc/13/10/65/847131065.db2.gz ALFAYOCNZJKVQV-INMHGKMJSA-N 1 3 356.511 -0.008 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001281699275 847132140 /nfs/dbraw/zinc/13/21/40/847132140.db2.gz VJCWSZKNISDUAE-HZPDHXFCSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001281699275 847132135 /nfs/dbraw/zinc/13/21/35/847132135.db2.gz VJCWSZKNISDUAE-HZPDHXFCSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001281699770 847133528 /nfs/dbraw/zinc/13/35/28/847133528.db2.gz CMLRFUXMSBTQBX-HUUCEWRRSA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001281707827 847139595 /nfs/dbraw/zinc/13/95/95/847139595.db2.gz LWWJUSYJUFWEQN-CAOSSQGBSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001281707827 847139590 /nfs/dbraw/zinc/13/95/90/847139590.db2.gz LWWJUSYJUFWEQN-CAOSSQGBSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001281710791 847141687 /nfs/dbraw/zinc/14/16/87/847141687.db2.gz QGAFVBBNFBXWHD-KFWWJZLASA-N 1 3 354.495 -0.398 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001281710792 847141821 /nfs/dbraw/zinc/14/18/21/847141821.db2.gz QGAFVBBNFBXWHD-RBSFLKMASA-N 1 3 354.495 -0.398 20 0 FBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1O ZINC001281712103 847143999 /nfs/dbraw/zinc/14/39/99/847143999.db2.gz VZUVVCWHNSYTPV-HUUCEWRRSA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281712354 847143874 /nfs/dbraw/zinc/14/38/74/847143874.db2.gz XVQOAEUBFGDYRF-BZUAXINKSA-N 1 3 354.495 -0.111 20 0 FBADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281712355 847144287 /nfs/dbraw/zinc/14/42/87/847144287.db2.gz XVQOAEUBFGDYRF-OWCLPIDISA-N 1 3 354.495 -0.111 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1O)N(C)C ZINC001281719088 847149716 /nfs/dbraw/zinc/14/97/16/847149716.db2.gz FEYWNJARRMUQOR-ARKGTOAJSA-N 1 3 354.495 -0.255 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1O)N(C)C ZINC001281719088 847149709 /nfs/dbraw/zinc/14/97/09/847149709.db2.gz FEYWNJARRMUQOR-ARKGTOAJSA-N 1 3 354.495 -0.255 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001281720982 847151833 /nfs/dbraw/zinc/15/18/33/847151833.db2.gz YROVNECHNSJFEF-HUUCEWRRSA-N 1 3 356.511 -0.006 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001281720982 847151829 /nfs/dbraw/zinc/15/18/29/847151829.db2.gz YROVNECHNSJFEF-HUUCEWRRSA-N 1 3 356.511 -0.006 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC ZINC001281848043 847210555 /nfs/dbraw/zinc/21/05/55/847210555.db2.gz NLVIDMJWRPZKHT-HUUCEWRRSA-N 1 3 352.479 -0.234 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001281886543 847245915 /nfs/dbraw/zinc/24/59/15/847245915.db2.gz GAMLIUPAPZPBPV-CVEARBPZSA-N 1 3 354.495 -0.254 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC001281891795 847250162 /nfs/dbraw/zinc/25/01/62/847250162.db2.gz DLTHKPTXHIVRTN-CVEARBPZSA-N 1 3 354.495 -0.108 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001281891858 847251174 /nfs/dbraw/zinc/25/11/74/847251174.db2.gz GGEMCMFYPSWEKC-CABCVRRESA-N 1 3 356.511 -0.006 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001281891858 847251162 /nfs/dbraw/zinc/25/11/62/847251162.db2.gz GGEMCMFYPSWEKC-CABCVRRESA-N 1 3 356.511 -0.006 20 0 FBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001281892781 847252436 /nfs/dbraw/zinc/25/24/36/847252436.db2.gz UNRBHAGYTGPWSL-OAGGEKHMSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001281892781 847252421 /nfs/dbraw/zinc/25/24/21/847252421.db2.gz UNRBHAGYTGPWSL-OAGGEKHMSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001281892782 847252737 /nfs/dbraw/zinc/25/27/37/847252737.db2.gz UNRBHAGYTGPWSL-PMPSAXMXSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001281892782 847252728 /nfs/dbraw/zinc/25/27/28/847252728.db2.gz UNRBHAGYTGPWSL-PMPSAXMXSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001281896322 847255839 /nfs/dbraw/zinc/25/58/39/847255839.db2.gz OZXDEXNZUTXROB-CVEARBPZSA-N 1 3 354.495 -0.108 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O ZINC001281898630 847258645 /nfs/dbraw/zinc/25/86/45/847258645.db2.gz IWLNVAVJWJKZIA-CABCVRRESA-N 1 3 352.479 -0.357 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1)[NH+](C)C ZINC001281898672 847258764 /nfs/dbraw/zinc/25/87/64/847258764.db2.gz IJMCDWSYKGAACK-ILXRZTDVSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1)[NH+](C)C ZINC001281898673 847260001 /nfs/dbraw/zinc/26/00/01/847260001.db2.gz IJMCDWSYKGAACK-QLFBSQMISA-N 1 3 354.495 -0.255 20 0 FBADHO CN(CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O)C1CCC1 ZINC001281898944 847259883 /nfs/dbraw/zinc/25/98/83/847259883.db2.gz DIRUJWCUAJSRQJ-CABCVRRESA-N 1 3 352.479 -0.500 20 0 FBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)N1CCCC1 ZINC001281899013 847259834 /nfs/dbraw/zinc/25/98/34/847259834.db2.gz OUBAPTARZGFIDU-HLLBOEOZSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)N1CCCC1 ZINC001281899016 847260167 /nfs/dbraw/zinc/26/01/67/847260167.db2.gz OUBAPTARZGFIDU-VYDXJSESSA-N 1 3 354.495 -0.254 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CN(C)C3CCC3)[C@@H](O)C2)CC[N@H+]1C ZINC001281899224 847259798 /nfs/dbraw/zinc/25/97/98/847259798.db2.gz GUWSLQFRPNHJGW-MIGQKNRLSA-N 1 3 352.479 -0.501 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CN(C)C3CCC3)[C@@H](O)C2)CC[N@@H+]1C ZINC001281899224 847259788 /nfs/dbraw/zinc/25/97/88/847259788.db2.gz GUWSLQFRPNHJGW-MIGQKNRLSA-N 1 3 352.479 -0.501 20 0 FBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O)[NH+](C)C ZINC001281902229 847263593 /nfs/dbraw/zinc/26/35/93/847263593.db2.gz FOVLIHJIUPQVRY-VYDXJSESSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O)[NH+](C)C ZINC001281902797 847264478 /nfs/dbraw/zinc/26/44/78/847264478.db2.gz QUAFRRIBUZHLSX-ILXRZTDVSA-N 1 3 354.495 -0.255 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1O)N(C)C ZINC001281902824 847265232 /nfs/dbraw/zinc/26/52/32/847265232.db2.gz BSWPNXMPKWMVIF-KFWWJZLASA-N 1 3 352.479 -0.357 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001281903330 847264875 /nfs/dbraw/zinc/26/48/75/847264875.db2.gz LUZZBVFZJKUNOL-OAGGEKHMSA-N 1 3 354.495 -0.111 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001281903330 847264871 /nfs/dbraw/zinc/26/48/71/847264871.db2.gz LUZZBVFZJKUNOL-OAGGEKHMSA-N 1 3 354.495 -0.111 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001281903332 847265042 /nfs/dbraw/zinc/26/50/42/847265042.db2.gz LUZZBVFZJKUNOL-XHSDSOJGSA-N 1 3 354.495 -0.111 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001281903332 847265027 /nfs/dbraw/zinc/26/50/27/847265027.db2.gz LUZZBVFZJKUNOL-XHSDSOJGSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1O)N(C)C ZINC001281903905 847265931 /nfs/dbraw/zinc/26/59/31/847265931.db2.gz BJKZEBRFPODMPK-KFWWJZLASA-N 1 3 356.511 -0.008 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O)N(C)C ZINC001281903905 847265924 /nfs/dbraw/zinc/26/59/24/847265924.db2.gz BJKZEBRFPODMPK-KFWWJZLASA-N 1 3 356.511 -0.008 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O)N(C)C ZINC001281905135 847268429 /nfs/dbraw/zinc/26/84/29/847268429.db2.gz YMZSSYFBOJHLHT-OAGGEKHMSA-N 1 3 354.495 -0.254 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001281915491 847280609 /nfs/dbraw/zinc/28/06/09/847280609.db2.gz CMLRFUXMSBTQBX-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O)[NH+](C)C ZINC001281916265 847281083 /nfs/dbraw/zinc/28/10/83/847281083.db2.gz QUAFRRIBUZHLSX-QLFBSQMISA-N 1 3 354.495 -0.255 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC001281916427 847281124 /nfs/dbraw/zinc/28/11/24/847281124.db2.gz UAIVHWIICZHAGM-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC001281916427 847281119 /nfs/dbraw/zinc/28/11/19/847281119.db2.gz UAIVHWIICZHAGM-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O ZINC001281916466 847281068 /nfs/dbraw/zinc/28/10/68/847281068.db2.gz VJCWSZKNISDUAE-CVEARBPZSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O ZINC001281916466 847281059 /nfs/dbraw/zinc/28/10/59/847281059.db2.gz VJCWSZKNISDUAE-CVEARBPZSA-N 1 3 354.495 -0.110 20 0 FBADHO CN(CC(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C1CCC1 ZINC001281926078 847289413 /nfs/dbraw/zinc/28/94/13/847289413.db2.gz IVMAMJLDUBKQIA-CABCVRRESA-N 1 3 352.479 -0.500 20 0 FBADHO CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)N(C)C ZINC001281926713 847289981 /nfs/dbraw/zinc/28/99/81/847289981.db2.gz QGAFVBBNFBXWHD-ILXRZTDVSA-N 1 3 354.495 -0.398 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)N(C)C ZINC001281926717 847290129 /nfs/dbraw/zinc/29/01/29/847290129.db2.gz QGAFVBBNFBXWHD-QLFBSQMISA-N 1 3 354.495 -0.398 20 0 FBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1O)N(C)C ZINC001281929513 847291174 /nfs/dbraw/zinc/29/11/74/847291174.db2.gz NBIFDUDCRYIVIR-QKPAOTATSA-N 1 3 356.511 -0.153 20 0 FBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1O ZINC001281930410 847292429 /nfs/dbraw/zinc/29/24/29/847292429.db2.gz VZUVVCWHNSYTPV-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930500 847292552 /nfs/dbraw/zinc/29/25/52/847292552.db2.gz XVQOAEUBFGDYRF-OAGGEKHMSA-N 1 3 354.495 -0.111 20 0 FBADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001281930501 847292276 /nfs/dbraw/zinc/29/22/76/847292276.db2.gz XVQOAEUBFGDYRF-PMPSAXMXSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1O ZINC001281935643 847297817 /nfs/dbraw/zinc/29/78/17/847297817.db2.gz ASSZZURKVAJROP-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1O ZINC001281935643 847297808 /nfs/dbraw/zinc/29/78/08/847297808.db2.gz ASSZZURKVAJROP-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1O ZINC001281935661 847298096 /nfs/dbraw/zinc/29/80/96/847298096.db2.gz BPLCDMLHYDBSHK-OAGGEKHMSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1O ZINC001281935661 847298085 /nfs/dbraw/zinc/29/80/85/847298085.db2.gz BPLCDMLHYDBSHK-OAGGEKHMSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1O ZINC001281935663 847297937 /nfs/dbraw/zinc/29/79/37/847297937.db2.gz BPLCDMLHYDBSHK-PMPSAXMXSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1O ZINC001281935663 847297929 /nfs/dbraw/zinc/29/79/29/847297929.db2.gz BPLCDMLHYDBSHK-PMPSAXMXSA-N 1 3 354.495 -0.111 20 0 FBADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001281935973 847298025 /nfs/dbraw/zinc/29/80/25/847298025.db2.gz DXDGKWXMMHJTOY-OAGGEKHMSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001281935973 847298017 /nfs/dbraw/zinc/29/80/17/847298017.db2.gz DXDGKWXMMHJTOY-OAGGEKHMSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001281935975 847298203 /nfs/dbraw/zinc/29/82/03/847298203.db2.gz DXDGKWXMMHJTOY-PMPSAXMXSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001281935975 847298190 /nfs/dbraw/zinc/29/81/90/847298190.db2.gz DXDGKWXMMHJTOY-PMPSAXMXSA-N 1 3 354.495 -0.110 20 0 FBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001282188138 847340133 /nfs/dbraw/zinc/34/01/33/847340133.db2.gz HGYQGDYEVWFNDV-UKRRQHHQSA-N 1 3 351.451 -0.116 20 0 FBADHO CC[C@@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001285940296 847529169 /nfs/dbraw/zinc/52/91/69/847529169.db2.gz PNULXUQOXUYRHU-KFWWJZLASA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001285940296 847529159 /nfs/dbraw/zinc/52/91/59/847529159.db2.gz PNULXUQOXUYRHU-KFWWJZLASA-N 1 3 354.495 -0.254 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001288092954 847562396 /nfs/dbraw/zinc/56/23/96/847562396.db2.gz CZJQGJADBKGRKL-QLFBSQMISA-N 1 3 354.495 -0.254 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001288092954 847562389 /nfs/dbraw/zinc/56/23/89/847562389.db2.gz CZJQGJADBKGRKL-QLFBSQMISA-N 1 3 354.495 -0.254 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001288092955 847563176 /nfs/dbraw/zinc/56/31/76/847563176.db2.gz CZJQGJADBKGRKL-RBSFLKMASA-N 1 3 354.495 -0.254 20 0 FBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001288092955 847563168 /nfs/dbraw/zinc/56/31/68/847563168.db2.gz CZJQGJADBKGRKL-RBSFLKMASA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001289070067 847621902 /nfs/dbraw/zinc/62/19/02/847621902.db2.gz GAMLIUPAPZPBPV-HZPDHXFCSA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)N(C)C ZINC001289096446 847634783 /nfs/dbraw/zinc/63/47/83/847634783.db2.gz YGWGYYDIXCORHK-OWCLPIDISA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1O ZINC001289097049 847634551 /nfs/dbraw/zinc/63/45/51/847634551.db2.gz AUHGHTPKUMESHP-HZPDHXFCSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001289097099 847633979 /nfs/dbraw/zinc/63/39/79/847633979.db2.gz BSKSQATZYXQNLU-HZPDHXFCSA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001289097331 847634436 /nfs/dbraw/zinc/63/44/36/847634436.db2.gz GBCLJRDKVLBMEP-HZPDHXFCSA-N 1 3 354.495 -0.110 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001289097351 847634744 /nfs/dbraw/zinc/63/47/44/847634744.db2.gz GYSSDUOGUNSCRG-ZJIFWQFVSA-N 1 3 354.495 -0.255 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001289097351 847634741 /nfs/dbraw/zinc/63/47/41/847634741.db2.gz GYSSDUOGUNSCRG-ZJIFWQFVSA-N 1 3 354.495 -0.255 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001289099026 847636736 /nfs/dbraw/zinc/63/67/36/847636736.db2.gz KIGJZPQXLDTRSC-KBUPBQIOSA-N 1 3 352.479 -0.501 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001289099026 847636730 /nfs/dbraw/zinc/63/67/30/847636730.db2.gz KIGJZPQXLDTRSC-KBUPBQIOSA-N 1 3 352.479 -0.501 20 0 FBADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2O)CCC1 ZINC001289099584 847636713 /nfs/dbraw/zinc/63/67/13/847636713.db2.gz RFSVVTUZYAVRGO-RBSFLKMASA-N 1 3 352.479 -0.500 20 0 FBADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2O)CCC1 ZINC001289099584 847636711 /nfs/dbraw/zinc/63/67/11/847636711.db2.gz RFSVVTUZYAVRGO-RBSFLKMASA-N 1 3 352.479 -0.500 20 0 FBADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2O)CCC1 ZINC001289099585 847636623 /nfs/dbraw/zinc/63/66/23/847636623.db2.gz RFSVVTUZYAVRGO-RRFJBIMHSA-N 1 3 352.479 -0.500 20 0 FBADHO CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2O)CCC1 ZINC001289099585 847636620 /nfs/dbraw/zinc/63/66/20/847636620.db2.gz RFSVVTUZYAVRGO-RRFJBIMHSA-N 1 3 352.479 -0.500 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O)N(C)C ZINC001289135830 847650965 /nfs/dbraw/zinc/65/09/65/847650965.db2.gz VMRNCKDXRMCZDW-OWCLPIDISA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1O ZINC001289145673 847655295 /nfs/dbraw/zinc/65/52/95/847655295.db2.gz GPOJLZBTPQKNLC-ARFHVFGLSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1O ZINC001289145673 847655288 /nfs/dbraw/zinc/65/52/88/847655288.db2.gz GPOJLZBTPQKNLC-ARFHVFGLSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1O ZINC001289145675 847655138 /nfs/dbraw/zinc/65/51/38/847655138.db2.gz GPOJLZBTPQKNLC-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1O ZINC001289145675 847655133 /nfs/dbraw/zinc/65/51/33/847655133.db2.gz GPOJLZBTPQKNLC-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1O ZINC001289146237 847655414 /nfs/dbraw/zinc/65/54/14/847655414.db2.gz NRLQFMGFHNAORP-BZUAXINKSA-N 1 3 354.495 -0.111 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001289146237 847655409 /nfs/dbraw/zinc/65/54/09/847655409.db2.gz NRLQFMGFHNAORP-BZUAXINKSA-N 1 3 354.495 -0.111 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1O ZINC001289146240 847655444 /nfs/dbraw/zinc/65/54/44/847655444.db2.gz NRLQFMGFHNAORP-OWCLPIDISA-N 1 3 354.495 -0.111 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1O ZINC001289146240 847655440 /nfs/dbraw/zinc/65/54/40/847655440.db2.gz NRLQFMGFHNAORP-OWCLPIDISA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001289146847 847656196 /nfs/dbraw/zinc/65/61/96/847656196.db2.gz ZCJZVAHZZUQCOP-KFWWJZLASA-N 1 3 356.511 -0.009 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001289146847 847656192 /nfs/dbraw/zinc/65/61/92/847656192.db2.gz ZCJZVAHZZUQCOP-KFWWJZLASA-N 1 3 356.511 -0.009 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001289146848 847656401 /nfs/dbraw/zinc/65/64/01/847656401.db2.gz ZCJZVAHZZUQCOP-RBSFLKMASA-N 1 3 356.511 -0.009 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001289146848 847656396 /nfs/dbraw/zinc/65/63/96/847656396.db2.gz ZCJZVAHZZUQCOP-RBSFLKMASA-N 1 3 356.511 -0.009 20 0 FBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1O ZINC001289169072 847662515 /nfs/dbraw/zinc/66/25/15/847662515.db2.gz FCIKNATWELWZFR-HUUCEWRRSA-N 1 3 354.495 -0.110 20 0 FBADHO CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C1CCC1 ZINC001289169359 847663675 /nfs/dbraw/zinc/66/36/75/847663675.db2.gz IVMAMJLDUBKQIA-HUUCEWRRSA-N 1 3 352.479 -0.500 20 0 FBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001289169805 847663725 /nfs/dbraw/zinc/66/37/25/847663725.db2.gz ODTMAGJLNJQLKH-RBSFLKMASA-N 1 3 352.479 -0.642 20 0 FBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001289169807 847663796 /nfs/dbraw/zinc/66/37/96/847663796.db2.gz ODTMAGJLNJQLKH-RRFJBIMHSA-N 1 3 352.479 -0.642 20 0 FBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O)[NH+](C)C ZINC001289181805 847667686 /nfs/dbraw/zinc/66/76/86/847667686.db2.gz FOVLIHJIUPQVRY-BFYDXBDKSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O)[NH+](C)C ZINC001289182221 847667826 /nfs/dbraw/zinc/66/78/26/847667826.db2.gz QUAFRRIBUZHLSX-RBSFLKMASA-N 1 3 354.495 -0.255 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1O ZINC001289189223 847671084 /nfs/dbraw/zinc/67/10/84/847671084.db2.gz BPLCDMLHYDBSHK-BZUAXINKSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1O ZINC001289189223 847671080 /nfs/dbraw/zinc/67/10/80/847671080.db2.gz BPLCDMLHYDBSHK-BZUAXINKSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1O ZINC001289189224 847671168 /nfs/dbraw/zinc/67/11/68/847671168.db2.gz BPLCDMLHYDBSHK-OWCLPIDISA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1O ZINC001289189224 847671163 /nfs/dbraw/zinc/67/11/63/847671163.db2.gz BPLCDMLHYDBSHK-OWCLPIDISA-N 1 3 354.495 -0.111 20 0 FBADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001289501042 847725282 /nfs/dbraw/zinc/72/52/82/847725282.db2.gz LMXXGROTVKINEV-FVQBIDKESA-N 1 3 352.479 -0.236 20 0 FBADHO CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001289501042 847725273 /nfs/dbraw/zinc/72/52/73/847725273.db2.gz LMXXGROTVKINEV-FVQBIDKESA-N 1 3 352.479 -0.236 20 0 FBADHO CO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001289501043 847725209 /nfs/dbraw/zinc/72/52/09/847725209.db2.gz LMXXGROTVKINEV-NUEKZKHPSA-N 1 3 352.479 -0.236 20 0 FBADHO CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001289501043 847725199 /nfs/dbraw/zinc/72/51/99/847725199.db2.gz LMXXGROTVKINEV-NUEKZKHPSA-N 1 3 352.479 -0.236 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001289624009 847767739 /nfs/dbraw/zinc/76/77/39/847767739.db2.gz YBTVNNROOCYHNF-OAGGEKHMSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001289624009 847767733 /nfs/dbraw/zinc/76/77/33/847767733.db2.gz YBTVNNROOCYHNF-OAGGEKHMSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001289624010 847767660 /nfs/dbraw/zinc/76/76/60/847767660.db2.gz YBTVNNROOCYHNF-PMPSAXMXSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001289624010 847767653 /nfs/dbraw/zinc/76/76/53/847767653.db2.gz YBTVNNROOCYHNF-PMPSAXMXSA-N 1 3 354.495 -0.111 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001289629332 847770106 /nfs/dbraw/zinc/77/01/06/847770106.db2.gz NTCVMQDISDVFOU-OAGGEKHMSA-N 1 3 352.479 -0.644 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001289629333 847769925 /nfs/dbraw/zinc/76/99/25/847769925.db2.gz NTCVMQDISDVFOU-XHSDSOJGSA-N 1 3 352.479 -0.644 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001289629554 847769945 /nfs/dbraw/zinc/76/99/45/847769945.db2.gz BAMKSXVBDHCGLT-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001289647829 847778485 /nfs/dbraw/zinc/77/84/85/847778485.db2.gz RBMOSYZOMFEQDV-CVEARBPZSA-N 1 3 354.495 -0.110 20 0 FBADHO CC[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)N(C)C ZINC001289648025 847778477 /nfs/dbraw/zinc/77/84/77/847778477.db2.gz UUQSEOHCCLZVCY-OAGGEKHMSA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001289648624 847779778 /nfs/dbraw/zinc/77/97/78/847779778.db2.gz GWDIMCGBHHUTEL-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001289648624 847779774 /nfs/dbraw/zinc/77/97/74/847779774.db2.gz GWDIMCGBHHUTEL-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1)[NH+](C)C ZINC001289652917 847781583 /nfs/dbraw/zinc/78/15/83/847781583.db2.gz DEZCSPAMHYACEK-HLLBOEOZSA-N 1 3 354.495 -0.255 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001289666545 847787608 /nfs/dbraw/zinc/78/76/08/847787608.db2.gz WAFSSIKIVBSCHJ-CABCVRRESA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O)N(C)C ZINC001289688269 847796954 /nfs/dbraw/zinc/79/69/54/847796954.db2.gz KXTSITGIWJNHRN-ILXRZTDVSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O)N(C)C ZINC001289688271 847797741 /nfs/dbraw/zinc/79/77/41/847797741.db2.gz KXTSITGIWJNHRN-KFWWJZLASA-N 1 3 354.495 -0.111 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1O)N(C)C ZINC001289688935 847798417 /nfs/dbraw/zinc/79/84/17/847798417.db2.gz YMZSSYFBOJHLHT-PMPSAXMXSA-N 1 3 354.495 -0.254 20 0 FBADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001289696740 847802438 /nfs/dbraw/zinc/80/24/38/847802438.db2.gz REIBUXHEVXZEJH-CVEARBPZSA-N 1 3 354.495 -0.108 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC001289697132 847802378 /nfs/dbraw/zinc/80/23/78/847802378.db2.gz DAKXWHSAOLAFPU-CABCVRRESA-N 1 3 351.451 -0.320 20 0 FBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC001289697132 847802369 /nfs/dbraw/zinc/80/23/69/847802369.db2.gz DAKXWHSAOLAFPU-CABCVRRESA-N 1 3 351.451 -0.320 20 0 FBADHO CN(CC(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)CC(C)(C)C ZINC001289720260 847810462 /nfs/dbraw/zinc/81/04/62/847810462.db2.gz LFXDUQNRMSXCFI-CABCVRRESA-N 1 3 356.511 -0.006 20 0 FBADHO CN(CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O)CC(C)(C)C ZINC001289739246 847818008 /nfs/dbraw/zinc/81/80/08/847818008.db2.gz FKTFELWIUBTOCU-CABCVRRESA-N 1 3 356.511 -0.006 20 0 FBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001316597110 846914733 /nfs/dbraw/zinc/91/47/33/846914733.db2.gz MZIPOHZONRXQLO-HZSPNIEDSA-N 1 3 355.483 -0.003 20 0 FBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001316597111 846914707 /nfs/dbraw/zinc/91/47/07/846914707.db2.gz MZIPOHZONRXQLO-MGPQQGTHSA-N 1 3 355.483 -0.003 20 0 FBADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001316652475 847986544 /nfs/dbraw/zinc/98/65/44/847986544.db2.gz JRZGNNUCJURANQ-UONOGXRCSA-N 1 3 360.524 -0.106 20 0 FBADHO CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001316660351 848037869 /nfs/dbraw/zinc/03/78/69/848037869.db2.gz LAPFTPJTVKWNJB-GZBFAFLISA-N 1 3 355.483 -0.097 20 0 FBADHO COCCOC[C@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001316791314 848324149 /nfs/dbraw/zinc/32/41/49/848324149.db2.gz ITIJWOKWCKQEPP-OIISXLGYSA-N 1 3 357.495 -0.069 20 0 FBADHO COCCOC[C@@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001316791315 848323225 /nfs/dbraw/zinc/32/32/25/848323225.db2.gz ITIJWOKWCKQEPP-PVAVHDDUSA-N 1 3 357.495 -0.069 20 0 FBADHO CCS(=O)(=O)NCCC[N@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001316800972 848303780 /nfs/dbraw/zinc/30/37/80/848303780.db2.gz HHVJPFZUQFSWKJ-CABCVRRESA-N 1 3 360.524 -0.009 20 0 FBADHO CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001316800972 848303774 /nfs/dbraw/zinc/30/37/74/848303774.db2.gz HHVJPFZUQFSWKJ-CABCVRRESA-N 1 3 360.524 -0.009 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)N2CCOCC2)C2CC2)CC[N@H+]1C ZINC001317013940 848329811 /nfs/dbraw/zinc/32/98/11/848329811.db2.gz QONGMVAXAVZTFK-BMFZPTHFSA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)N2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001317013940 848329805 /nfs/dbraw/zinc/32/98/05/848329805.db2.gz QONGMVAXAVZTFK-BMFZPTHFSA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)N2CCOCC2)C2CC2)CC[N@H+]1C ZINC001317013945 848329040 /nfs/dbraw/zinc/32/90/40/848329040.db2.gz QONGMVAXAVZTFK-FVQBIDKESA-N 1 3 352.479 -0.330 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)N2CCOCC2)C2CC2)CC[N@@H+]1C ZINC001317013945 848329032 /nfs/dbraw/zinc/32/90/32/848329032.db2.gz QONGMVAXAVZTFK-FVQBIDKESA-N 1 3 352.479 -0.330 20 0 FBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317057510 848330346 /nfs/dbraw/zinc/33/03/46/848330346.db2.gz HWWYXOPXYCZGCY-MELADBBJSA-N 1 3 353.467 -0.247 20 0 FBADHO CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317057510 848330338 /nfs/dbraw/zinc/33/03/38/848330338.db2.gz HWWYXOPXYCZGCY-MELADBBJSA-N 1 3 353.467 -0.247 20 0 FBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317186376 848332099 /nfs/dbraw/zinc/33/20/99/848332099.db2.gz OBHXAGWPPBQWJL-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CNC(=O)NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317186376 848332090 /nfs/dbraw/zinc/33/20/90/848332090.db2.gz OBHXAGWPPBQWJL-HZSPNIEDSA-N 1 3 353.467 -0.247 20 0 FBADHO CNC(=O)NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317186377 848332256 /nfs/dbraw/zinc/33/22/56/848332256.db2.gz OBHXAGWPPBQWJL-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CNC(=O)NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317186377 848332249 /nfs/dbraw/zinc/33/22/49/848332249.db2.gz OBHXAGWPPBQWJL-MGPQQGTHSA-N 1 3 353.467 -0.247 20 0 FBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC1CC1 ZINC001318523714 848383369 /nfs/dbraw/zinc/38/33/69/848383369.db2.gz DLHSSQSRJBJEFG-MBNYWOFBSA-N 1 3 353.467 -0.201 20 0 FBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC1CC1 ZINC001318523714 848383359 /nfs/dbraw/zinc/38/33/59/848383359.db2.gz DLHSSQSRJBJEFG-MBNYWOFBSA-N 1 3 353.467 -0.201 20 0 FBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC1CC1 ZINC001318523715 848383536 /nfs/dbraw/zinc/38/35/36/848383536.db2.gz DLHSSQSRJBJEFG-YRGRVCCFSA-N 1 3 353.467 -0.201 20 0 FBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC1CC1 ZINC001318523715 848383523 /nfs/dbraw/zinc/38/35/23/848383523.db2.gz DLHSSQSRJBJEFG-YRGRVCCFSA-N 1 3 353.467 -0.201 20 0 FBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319460752 848460681 /nfs/dbraw/zinc/46/06/81/848460681.db2.gz QCXAAKWOULGQJW-OUCADQQQSA-N 1 3 353.467 -0.249 20 0 FBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460752 848460677 /nfs/dbraw/zinc/46/06/77/848460677.db2.gz QCXAAKWOULGQJW-OUCADQQQSA-N 1 3 353.467 -0.249 20 0 FBADHO C[C@H](CNCC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319460753 848460395 /nfs/dbraw/zinc/46/03/95/848460395.db2.gz QCXAAKWOULGQJW-YRGRVCCFSA-N 1 3 353.467 -0.249 20 0 FBADHO C[C@H](CNCC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460753 848460385 /nfs/dbraw/zinc/46/03/85/848460385.db2.gz QCXAAKWOULGQJW-YRGRVCCFSA-N 1 3 353.467 -0.249 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](NC(N)=O)C3)CC2)CC1 ZINC001319820941 848490749 /nfs/dbraw/zinc/49/07/49/848490749.db2.gz HDWGLYRALJALCK-AWEZNQCLSA-N 1 3 352.483 -0.003 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](NC(N)=O)C3)CC2)CC1 ZINC001319820943 848490624 /nfs/dbraw/zinc/49/06/24/848490624.db2.gz HDWGLYRALJALCK-CQSZACIVSA-N 1 3 352.483 -0.003 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001320229837 848523214 /nfs/dbraw/zinc/52/32/14/848523214.db2.gz HQKHMKCCBGOVEX-GMTAPVOTSA-N 1 3 354.373 -0.928 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001320229837 848523208 /nfs/dbraw/zinc/52/32/08/848523208.db2.gz HQKHMKCCBGOVEX-GMTAPVOTSA-N 1 3 354.373 -0.928 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001320229838 848522942 /nfs/dbraw/zinc/52/29/42/848522942.db2.gz HQKHMKCCBGOVEX-OUAUKWLOSA-N 1 3 354.373 -0.928 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001320229838 848522932 /nfs/dbraw/zinc/52/29/32/848522932.db2.gz HQKHMKCCBGOVEX-OUAUKWLOSA-N 1 3 354.373 -0.928 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)CC[N@H+]1C ZINC001320233450 848524551 /nfs/dbraw/zinc/52/45/51/848524551.db2.gz QJIHDYKRSYCRCC-HRCADAONSA-N 1 3 354.495 -0.204 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001320233450 848524546 /nfs/dbraw/zinc/52/45/46/848524546.db2.gz QJIHDYKRSYCRCC-HRCADAONSA-N 1 3 354.495 -0.204 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)CC[N@H+]1C ZINC001320233451 848524470 /nfs/dbraw/zinc/52/44/70/848524470.db2.gz QJIHDYKRSYCRCC-OWCLPIDISA-N 1 3 354.495 -0.204 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001320233451 848524464 /nfs/dbraw/zinc/52/44/64/848524464.db2.gz QJIHDYKRSYCRCC-OWCLPIDISA-N 1 3 354.495 -0.204 20 0 FBADHO COc1coc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001320235391 848524303 /nfs/dbraw/zinc/52/43/03/848524303.db2.gz YKOATWDODWCZHY-MBNYWOFBSA-N 1 3 353.419 -0.445 20 0 FBADHO COc1coc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1=O ZINC001320235391 848524294 /nfs/dbraw/zinc/52/42/94/848524294.db2.gz YKOATWDODWCZHY-MBNYWOFBSA-N 1 3 353.419 -0.445 20 0 FBADHO COc1coc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1=O ZINC001320235392 848524102 /nfs/dbraw/zinc/52/41/02/848524102.db2.gz YKOATWDODWCZHY-YRGRVCCFSA-N 1 3 353.419 -0.445 20 0 FBADHO COc1coc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1=O ZINC001320235392 848524093 /nfs/dbraw/zinc/52/40/93/848524093.db2.gz YKOATWDODWCZHY-YRGRVCCFSA-N 1 3 353.419 -0.445 20 0 FBADHO CC[NH+]1CCC(NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC001321352333 848622392 /nfs/dbraw/zinc/62/23/92/848622392.db2.gz JYQPRBUIIZFQSZ-UHFFFAOYSA-N 1 3 353.511 -0.269 20 0 FBADHO C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC001321367347 848624477 /nfs/dbraw/zinc/62/44/77/848624477.db2.gz TUVJWJBKODQUKX-GFCCVEGCSA-N 1 3 361.512 -0.479 20 0 FBADHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC001321367350 848624182 /nfs/dbraw/zinc/62/41/82/848624182.db2.gz TUVJWJBKODQUKX-LBPRGKRZSA-N 1 3 361.512 -0.479 20 0 FBADHO CNS(=O)(=O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001321645346 848658745 /nfs/dbraw/zinc/65/87/45/848658745.db2.gz LRJLUANFLKKECU-UHFFFAOYSA-N 1 3 361.512 -0.607 20 0 FBADHO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC001321750708 848675795 /nfs/dbraw/zinc/67/57/95/848675795.db2.gz FMFYVCGROIWITO-HNNXBMFYSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC001321750712 848675778 /nfs/dbraw/zinc/67/57/78/848675778.db2.gz FMFYVCGROIWITO-OAHLLOKOSA-N 1 3 351.495 -0.517 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC001321883909 848692181 /nfs/dbraw/zinc/69/21/81/848692181.db2.gz FEYIDPPQORKDFI-BZUAXINKSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC001321883909 848692173 /nfs/dbraw/zinc/69/21/73/848692173.db2.gz FEYIDPPQORKDFI-BZUAXINKSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC001321883910 848691853 /nfs/dbraw/zinc/69/18/53/848691853.db2.gz FEYIDPPQORKDFI-OAGGEKHMSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)CN1CCN(C)CC1 ZINC001321883910 848691844 /nfs/dbraw/zinc/69/18/44/848691844.db2.gz FEYIDPPQORKDFI-OAGGEKHMSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC001321883911 848692253 /nfs/dbraw/zinc/69/22/53/848692253.db2.gz FEYIDPPQORKDFI-OWCLPIDISA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC001321883911 848692251 /nfs/dbraw/zinc/69/22/51/848692251.db2.gz FEYIDPPQORKDFI-OWCLPIDISA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC001321883912 848692038 /nfs/dbraw/zinc/69/20/38/848692038.db2.gz FEYIDPPQORKDFI-PMPSAXMXSA-N 1 3 353.511 -0.415 20 0 FBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)CN1CCN(C)CC1 ZINC001321883912 848692030 /nfs/dbraw/zinc/69/20/30/848692030.db2.gz FEYIDPPQORKDFI-PMPSAXMXSA-N 1 3 353.511 -0.415 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C2CC2)no1 ZINC001322113823 848721652 /nfs/dbraw/zinc/72/16/52/848721652.db2.gz CZUOONDDRVHCBX-UHFFFAOYSA-N 1 3 352.439 -0.485 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001322921551 848821565 /nfs/dbraw/zinc/82/15/65/848821565.db2.gz ZMMQPDHHTCSVDX-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001322921553 848821812 /nfs/dbraw/zinc/82/18/12/848821812.db2.gz ZMMQPDHHTCSVDX-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001322921555 848821901 /nfs/dbraw/zinc/82/19/01/848821901.db2.gz ZMMQPDHHTCSVDX-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001322921557 848821665 /nfs/dbraw/zinc/82/16/65/848821665.db2.gz ZMMQPDHHTCSVDX-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC(C(N)=O)CC1 ZINC001323210595 848862231 /nfs/dbraw/zinc/86/22/31/848862231.db2.gz MAVNVLVPGGZDNX-UHFFFAOYSA-N 1 3 355.483 -0.902 20 0 FBADHO CC[NH+]1CCN(CCC(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001323404596 848891205 /nfs/dbraw/zinc/89/12/05/848891205.db2.gz DPNSCMMSVWRGNN-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001324466447 849045710 /nfs/dbraw/zinc/04/57/10/849045710.db2.gz FGJOPZREABYMES-BNOWGMLFSA-N 1 3 353.467 -0.214 20 0 FBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(=O)NC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001324466447 849045706 /nfs/dbraw/zinc/04/57/06/849045706.db2.gz FGJOPZREABYMES-BNOWGMLFSA-N 1 3 353.467 -0.214 20 0 FBADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001324466448 849045052 /nfs/dbraw/zinc/04/50/52/849045052.db2.gz FGJOPZREABYMES-MRVWCRGKSA-N 1 3 353.467 -0.214 20 0 FBADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(=O)NC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001324466448 849045042 /nfs/dbraw/zinc/04/50/42/849045042.db2.gz FGJOPZREABYMES-MRVWCRGKSA-N 1 3 353.467 -0.214 20 0 FBADHO CC(C)C(=O)N[C@@H](CO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001324743293 849071110 /nfs/dbraw/zinc/07/11/10/849071110.db2.gz VWVHQMDDGUBOBY-INIZCTEOSA-N 1 3 354.495 -0.206 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001324879960 849084005 /nfs/dbraw/zinc/08/40/05/849084005.db2.gz DGHRQAPPBYXYRY-XYPWUTKMSA-N 1 3 354.495 -0.442 20 0 FBADHO CC(C)[C@]1(CO)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001324880278 849083958 /nfs/dbraw/zinc/08/39/58/849083958.db2.gz GNPAJHPWSURKLG-GOSISDBHSA-N 1 3 356.511 -0.195 20 0 FBADHO CC(C)[C@@]1(CO)CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001324880279 849084029 /nfs/dbraw/zinc/08/40/29/849084029.db2.gz GNPAJHPWSURKLG-SFHVURJKSA-N 1 3 356.511 -0.195 20 0 FBADHO Cc1c(CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC001324881790 849083942 /nfs/dbraw/zinc/08/39/42/849083942.db2.gz NXPBPNJRYFTSCE-UHFFFAOYSA-N 1 3 352.483 -0.361 20 0 FBADHO CC(=O)OC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001324937590 849089183 /nfs/dbraw/zinc/08/91/83/849089183.db2.gz LDDQHWZHIQRVCV-UHFFFAOYSA-N 1 3 356.467 -0.508 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](C(N)=O)C3)CC2)CC1 ZINC001325038150 849100327 /nfs/dbraw/zinc/10/03/27/849100327.db2.gz FGIQGVURIZIPSA-INIZCTEOSA-N 1 3 352.479 -0.105 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)CC1 ZINC001325038151 849100272 /nfs/dbraw/zinc/10/02/72/849100272.db2.gz FGIQGVURIZIPSA-MRXNPFEDSA-N 1 3 352.479 -0.105 20 0 FBADHO CCn1nc(C)c(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC001325940823 849197614 /nfs/dbraw/zinc/19/76/14/849197614.db2.gz SSFBQKLSRYNPMQ-UHFFFAOYSA-N 1 3 353.471 -0.826 20 0 FBADHO C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001326011734 849207160 /nfs/dbraw/zinc/20/71/60/849207160.db2.gz VRUSKOJGRXZLEA-CVEARBPZSA-N 1 3 352.479 -0.186 20 0 FBADHO C[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001326011737 849206925 /nfs/dbraw/zinc/20/69/25/849206925.db2.gz VRUSKOJGRXZLEA-HOTGVXAUSA-N 1 3 352.479 -0.186 20 0 FBADHO C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001326011740 849207125 /nfs/dbraw/zinc/20/71/25/849207125.db2.gz VRUSKOJGRXZLEA-HZPDHXFCSA-N 1 3 352.479 -0.186 20 0 FBADHO C[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001326011743 849207214 /nfs/dbraw/zinc/20/72/14/849207214.db2.gz VRUSKOJGRXZLEA-JKSUJKDBSA-N 1 3 352.479 -0.186 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001326340165 849248699 /nfs/dbraw/zinc/24/86/99/849248699.db2.gz XOFDQTZTMACITN-KRWDZBQOSA-N 1 3 353.511 -0.428 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001326409038 849256648 /nfs/dbraw/zinc/25/66/48/849256648.db2.gz QDCZVWOJQADXSO-KRWDZBQOSA-N 1 3 353.511 -0.239 20 0 FBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001326522586 849276892 /nfs/dbraw/zinc/27/68/92/849276892.db2.gz UMYQYVGBAYNBBH-UHFFFAOYSA-N 1 3 355.483 -0.935 20 0 FBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC001326549302 849282216 /nfs/dbraw/zinc/28/22/16/849282216.db2.gz JDMUKCIZOFBCSW-AFIMGQEJSA-N 1 3 350.463 -0.447 20 0 FBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC001326549303 849281886 /nfs/dbraw/zinc/28/18/86/849281886.db2.gz JDMUKCIZOFBCSW-BORJPKMPSA-N 1 3 350.463 -0.447 20 0 FBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC001326549304 849282006 /nfs/dbraw/zinc/28/20/06/849282006.db2.gz JDMUKCIZOFBCSW-KRXQYRFLSA-N 1 3 350.463 -0.447 20 0 FBADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC001326549305 849281919 /nfs/dbraw/zinc/28/19/19/849281919.db2.gz JDMUKCIZOFBCSW-XSWJXKHESA-N 1 3 350.463 -0.447 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC001326560547 849283435 /nfs/dbraw/zinc/28/34/35/849283435.db2.gz LJWAXJYYTAWSHQ-UHFFFAOYSA-N 1 3 353.511 -0.330 20 0 FBADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326584611 849287886 /nfs/dbraw/zinc/28/78/86/849287886.db2.gz XDWLRNXDHLEGEB-MAZHCROVSA-N 1 3 352.479 -0.073 20 0 FBADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326584614 849288111 /nfs/dbraw/zinc/28/81/11/849288111.db2.gz XDWLRNXDHLEGEB-WQVCFCJDSA-N 1 3 352.479 -0.073 20 0 FBADHO COCCN1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC001326584827 849288260 /nfs/dbraw/zinc/28/82/60/849288260.db2.gz ZOFUFSUECFWNDP-JKSUJKDBSA-N 1 3 350.467 -0.033 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC001326594814 849289895 /nfs/dbraw/zinc/28/98/95/849289895.db2.gz CCQUJJHQKZMADK-CVEARBPZSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001326594814 849289891 /nfs/dbraw/zinc/28/98/91/849289891.db2.gz CCQUJJHQKZMADK-CVEARBPZSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC001326594815 849289588 /nfs/dbraw/zinc/28/95/88/849289588.db2.gz CCQUJJHQKZMADK-HOTGVXAUSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001326594815 849289581 /nfs/dbraw/zinc/28/95/81/849289581.db2.gz CCQUJJHQKZMADK-HOTGVXAUSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC001326594816 849289545 /nfs/dbraw/zinc/28/95/45/849289545.db2.gz CCQUJJHQKZMADK-HZPDHXFCSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001326594816 849289541 /nfs/dbraw/zinc/28/95/41/849289541.db2.gz CCQUJJHQKZMADK-HZPDHXFCSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[N@H+]1C ZINC001326594817 849290384 /nfs/dbraw/zinc/29/03/84/849290384.db2.gz CCQUJJHQKZMADK-JKSUJKDBSA-N 1 3 353.511 -0.319 20 0 FBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001326594817 849290377 /nfs/dbraw/zinc/29/03/77/849290377.db2.gz CCQUJJHQKZMADK-JKSUJKDBSA-N 1 3 353.511 -0.319 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(=O)NC(N)=O)CC2)CC1 ZINC001326770708 849320556 /nfs/dbraw/zinc/32/05/56/849320556.db2.gz DGJPTUMPRPVTBG-UHFFFAOYSA-N 1 3 353.467 -0.116 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326970397 849351650 /nfs/dbraw/zinc/35/16/50/849351650.db2.gz UHFDHCXEFSNBLC-CVEARBPZSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326970398 849351642 /nfs/dbraw/zinc/35/16/42/849351642.db2.gz UHFDHCXEFSNBLC-HOTGVXAUSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326970399 849351130 /nfs/dbraw/zinc/35/11/30/849351130.db2.gz UHFDHCXEFSNBLC-HZPDHXFCSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326970400 849351631 /nfs/dbraw/zinc/35/16/31/849351631.db2.gz UHFDHCXEFSNBLC-JKSUJKDBSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001326991756 849352982 /nfs/dbraw/zinc/35/29/82/849352982.db2.gz MPEXDJQQYAWURC-CVEARBPZSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC001326991758 849353001 /nfs/dbraw/zinc/35/30/01/849353001.db2.gz MPEXDJQQYAWURC-HOTGVXAUSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001326991760 849353148 /nfs/dbraw/zinc/35/31/48/849353148.db2.gz MPEXDJQQYAWURC-HZPDHXFCSA-N 1 3 354.495 -0.034 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC001326991762 849352961 /nfs/dbraw/zinc/35/29/61/849352961.db2.gz MPEXDJQQYAWURC-JKSUJKDBSA-N 1 3 354.495 -0.034 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](S(N)(=O)=O)C3)CC2)CC1 ZINC001327047156 849363090 /nfs/dbraw/zinc/36/30/90/849363090.db2.gz TXPAWHYYQCPXSC-HNNXBMFYSA-N 1 3 373.523 -0.383 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)CC2)CC1 ZINC001327047158 849364326 /nfs/dbraw/zinc/36/43/26/849364326.db2.gz TXPAWHYYQCPXSC-OAHLLOKOSA-N 1 3 373.523 -0.383 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)CC1 ZINC001327098815 849373076 /nfs/dbraw/zinc/37/30/76/849373076.db2.gz MHBCCKFJYBKVBH-CYBMUJFWSA-N 1 3 360.524 -0.024 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)S(N)(=O)=O)CC2)CC1 ZINC001327098816 849373204 /nfs/dbraw/zinc/37/32/04/849373204.db2.gz MHBCCKFJYBKVBH-ZDUSSCGKSA-N 1 3 360.524 -0.024 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1(C)C ZINC001327232530 849388075 /nfs/dbraw/zinc/38/80/75/849388075.db2.gz ZQKBSBFEWHJBHH-HNNXBMFYSA-N 1 3 353.511 -0.461 20 0 FBADHO CN1CCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1(C)C ZINC001327232531 849388655 /nfs/dbraw/zinc/38/86/55/849388655.db2.gz ZQKBSBFEWHJBHH-OAHLLOKOSA-N 1 3 353.511 -0.461 20 0 FBADHO COCCC[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001327457044 849429957 /nfs/dbraw/zinc/42/99/57/849429957.db2.gz FSVXCMVKMHQTEZ-UHFFFAOYSA-N 1 3 352.439 -0.059 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC001327471794 849432246 /nfs/dbraw/zinc/43/22/46/849432246.db2.gz LOKBJQSGQBVQKL-KRWDZBQOSA-N 1 3 355.483 -0.657 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC001327471795 849432014 /nfs/dbraw/zinc/43/20/14/849432014.db2.gz LOKBJQSGQBVQKL-QGZVFWFLSA-N 1 3 355.483 -0.657 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327472954 849432068 /nfs/dbraw/zinc/43/20/68/849432068.db2.gz VZOVHCRTBURKSY-DLBZAZTESA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327472955 849432062 /nfs/dbraw/zinc/43/20/62/849432062.db2.gz VZOVHCRTBURKSY-IAGOWNOFSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327472956 849432361 /nfs/dbraw/zinc/43/23/61/849432361.db2.gz VZOVHCRTBURKSY-IRXDYDNUSA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327472957 849432311 /nfs/dbraw/zinc/43/23/11/849432311.db2.gz VZOVHCRTBURKSY-SJORKVTESA-N 1 3 351.495 -0.071 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001327498880 849436560 /nfs/dbraw/zinc/43/65/60/849436560.db2.gz NHSUBDROCSGXFN-CRAIPNDOSA-N 1 3 350.463 -0.432 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001327498881 849436245 /nfs/dbraw/zinc/43/62/45/849436245.db2.gz NHSUBDROCSGXFN-MAUKXSAKSA-N 1 3 350.463 -0.432 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001327498882 849436257 /nfs/dbraw/zinc/43/62/57/849436257.db2.gz NHSUBDROCSGXFN-QAPCUYQASA-N 1 3 350.463 -0.432 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001327498883 849436218 /nfs/dbraw/zinc/43/62/18/849436218.db2.gz NHSUBDROCSGXFN-YJBOKZPZSA-N 1 3 350.463 -0.432 20 0 FBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC001327499777 849437218 /nfs/dbraw/zinc/43/72/18/849437218.db2.gz JDCRKUYQXXLJQY-CYBMUJFWSA-N 1 3 352.439 -0.107 20 0 FBADHO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC001327499778 849437292 /nfs/dbraw/zinc/43/72/92/849437292.db2.gz JDCRKUYQXXLJQY-ZDUSSCGKSA-N 1 3 352.439 -0.107 20 0 FBADHO CCC[NH+]1CCC(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001327501687 849437062 /nfs/dbraw/zinc/43/70/62/849437062.db2.gz ZEMJTCXBNSOHET-UHFFFAOYSA-N 1 3 350.423 -0.752 20 0 FBADHO C[NH+]1CCC(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001327510138 849438923 /nfs/dbraw/zinc/43/89/23/849438923.db2.gz LTKSTOBQTSNZFJ-UHFFFAOYSA-N 1 3 350.423 -0.895 20 0 FBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCNC(C)(C)C3)C2)CC1 ZINC001327516152 849439963 /nfs/dbraw/zinc/43/99/63/849439963.db2.gz GYYIWXNWRKDEEN-AWEZNQCLSA-N 1 3 351.495 -0.519 20 0 FBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCNC(C)(C)C3)C2)CC1 ZINC001327516153 849439456 /nfs/dbraw/zinc/43/94/56/849439456.db2.gz GYYIWXNWRKDEEN-CQSZACIVSA-N 1 3 351.495 -0.519 20 0 FBADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327523198 849440347 /nfs/dbraw/zinc/44/03/47/849440347.db2.gz FXMZOHSUAFYJJX-INIZCTEOSA-N 1 3 350.463 -0.218 20 0 FBADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327523199 849440423 /nfs/dbraw/zinc/44/04/23/849440423.db2.gz FXMZOHSUAFYJJX-MRXNPFEDSA-N 1 3 350.463 -0.218 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC001327582830 849449216 /nfs/dbraw/zinc/44/92/16/849449216.db2.gz HSRBUOJYZCOQEX-INIZCTEOSA-N 1 3 355.483 -0.807 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001327605582 849452559 /nfs/dbraw/zinc/45/25/59/849452559.db2.gz JULCGMRHFSANLI-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001327605582 849452553 /nfs/dbraw/zinc/45/25/53/849452553.db2.gz JULCGMRHFSANLI-CVEARBPZSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001327605583 849452303 /nfs/dbraw/zinc/45/23/03/849452303.db2.gz JULCGMRHFSANLI-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001327605583 849452296 /nfs/dbraw/zinc/45/22/96/849452296.db2.gz JULCGMRHFSANLI-HOTGVXAUSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001327605584 849452624 /nfs/dbraw/zinc/45/26/24/849452624.db2.gz JULCGMRHFSANLI-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001327605584 849452619 /nfs/dbraw/zinc/45/26/19/849452619.db2.gz JULCGMRHFSANLI-HZPDHXFCSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001327605585 849452405 /nfs/dbraw/zinc/45/24/05/849452405.db2.gz JULCGMRHFSANLI-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001327605585 849452401 /nfs/dbraw/zinc/45/24/01/849452401.db2.gz JULCGMRHFSANLI-JKSUJKDBSA-N 1 3 352.479 -0.044 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@](O)(C(N)=O)C3)CC2)CC1 ZINC001327633950 849456779 /nfs/dbraw/zinc/45/67/79/849456779.db2.gz CFJHIOQMFAKDKS-GOSISDBHSA-N 1 3 352.479 -0.369 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@](O)(C(N)=O)C3)CC2)CC1 ZINC001327633951 849456592 /nfs/dbraw/zinc/45/65/92/849456592.db2.gz CFJHIOQMFAKDKS-SFHVURJKSA-N 1 3 352.479 -0.369 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3cnnn3C)CCOCC2)CC[N@H+]1C ZINC001327635024 849456736 /nfs/dbraw/zinc/45/67/36/849456736.db2.gz PYPYJZVDKMKWHG-UKRRQHHQSA-N 1 3 350.467 -0.090 20 0 FBADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3cnnn3C)CCOCC2)CC[N@@H+]1C ZINC001327635024 849456733 /nfs/dbraw/zinc/45/67/33/849456733.db2.gz PYPYJZVDKMKWHG-UKRRQHHQSA-N 1 3 350.467 -0.090 20 0 FBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(OCC(N)=O)CC1 ZINC001327733081 849472283 /nfs/dbraw/zinc/47/22/83/849472283.db2.gz FGXDRMBYJPRZOX-AWEZNQCLSA-N 1 3 357.499 -0.066 20 0 FBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(OCC(N)=O)CC1 ZINC001327733081 849472279 /nfs/dbraw/zinc/47/22/79/849472279.db2.gz FGXDRMBYJPRZOX-AWEZNQCLSA-N 1 3 357.499 -0.066 20 0 FBADHO [NH3+]CCC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001327846694 849491430 /nfs/dbraw/zinc/49/14/30/849491430.db2.gz IJBWFGDMCUXOHA-INIZCTEOSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]CCC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001327846698 849491461 /nfs/dbraw/zinc/49/14/61/849491461.db2.gz IJBWFGDMCUXOHA-MRXNPFEDSA-N 1 3 352.479 -0.057 20 0 FBADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327848758 849491506 /nfs/dbraw/zinc/49/15/06/849491506.db2.gz UMXZDBULNCXJON-INIZCTEOSA-N 1 3 352.479 -0.138 20 0 FBADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327848759 849491478 /nfs/dbraw/zinc/49/14/78/849491478.db2.gz UMXZDBULNCXJON-MRXNPFEDSA-N 1 3 352.479 -0.138 20 0 FBADHO CN(C)S(=O)(=O)NCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001327871359 849494883 /nfs/dbraw/zinc/49/48/83/849494883.db2.gz GOCLTVMMTPGZRB-UHFFFAOYSA-N 1 3 361.512 -0.943 20 0 FBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001328030444 849516653 /nfs/dbraw/zinc/51/66/53/849516653.db2.gz YGWXXKLIZIEHGN-FXUDXRNXSA-N 1 3 352.479 -0.045 20 0 FBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001328030445 849516990 /nfs/dbraw/zinc/51/69/90/849516990.db2.gz YGWXXKLIZIEHGN-LVQVYYBASA-N 1 3 352.479 -0.045 20 0 FBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001328030446 849517085 /nfs/dbraw/zinc/51/70/85/849517085.db2.gz YGWXXKLIZIEHGN-XUWVNRHRSA-N 1 3 352.479 -0.045 20 0 FBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001328030447 849516769 /nfs/dbraw/zinc/51/67/69/849516769.db2.gz YGWXXKLIZIEHGN-YHUYYLMFSA-N 1 3 352.479 -0.045 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001328111737 849527732 /nfs/dbraw/zinc/52/77/32/849527732.db2.gz VPLJNSWMFGKJMD-HNNXBMFYSA-N 1 3 356.467 -0.950 20 0 FBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001328111738 849527827 /nfs/dbraw/zinc/52/78/27/849527827.db2.gz VPLJNSWMFGKJMD-OAHLLOKOSA-N 1 3 356.467 -0.950 20 0 FBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001328152013 849533250 /nfs/dbraw/zinc/53/32/50/849533250.db2.gz INJMTJXUPOTIBD-BMFZPTHFSA-N 1 3 352.479 -0.188 20 0 FBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001328152014 849533625 /nfs/dbraw/zinc/53/36/25/849533625.db2.gz INJMTJXUPOTIBD-CWRNSKLLSA-N 1 3 352.479 -0.188 20 0 FBADHO CC[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001328379643 849572871 /nfs/dbraw/zinc/57/28/71/849572871.db2.gz BMAZRBUIKHHROM-BMFZPTHFSA-N 1 3 352.479 -0.058 20 0 FBADHO CC[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001328379644 849573011 /nfs/dbraw/zinc/57/30/11/849573011.db2.gz BMAZRBUIKHHROM-FVQBIDKESA-N 1 3 352.479 -0.058 20 0 FBADHO CC[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001328379645 849572530 /nfs/dbraw/zinc/57/25/30/849572530.db2.gz BMAZRBUIKHHROM-KBMXLJTQSA-N 1 3 352.479 -0.058 20 0 FBADHO CC[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001328379646 849572466 /nfs/dbraw/zinc/57/24/66/849572466.db2.gz BMAZRBUIKHHROM-VNQPRFMTSA-N 1 3 352.479 -0.058 20 0 FBADHO C[NH2+]CC1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001328380387 849572898 /nfs/dbraw/zinc/57/28/98/849572898.db2.gz MHTXBUMAABMJQH-INIZCTEOSA-N 1 3 352.479 -0.186 20 0 FBADHO C[NH2+]CC1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001328380388 849572427 /nfs/dbraw/zinc/57/24/27/849572427.db2.gz MHTXBUMAABMJQH-MRXNPFEDSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001328921725 849659329 /nfs/dbraw/zinc/65/93/29/849659329.db2.gz NGFQSZUPUKNVAW-BMFZPTHFSA-N 1 3 352.479 -0.045 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328921725 849659326 /nfs/dbraw/zinc/65/93/26/849659326.db2.gz NGFQSZUPUKNVAW-BMFZPTHFSA-N 1 3 352.479 -0.045 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001328921726 849659168 /nfs/dbraw/zinc/65/91/68/849659168.db2.gz NGFQSZUPUKNVAW-FVQBIDKESA-N 1 3 352.479 -0.045 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328921726 849659165 /nfs/dbraw/zinc/65/91/65/849659165.db2.gz NGFQSZUPUKNVAW-FVQBIDKESA-N 1 3 352.479 -0.045 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001328921727 849658805 /nfs/dbraw/zinc/65/88/05/849658805.db2.gz NGFQSZUPUKNVAW-KBMXLJTQSA-N 1 3 352.479 -0.045 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328921727 849658796 /nfs/dbraw/zinc/65/87/96/849658796.db2.gz NGFQSZUPUKNVAW-KBMXLJTQSA-N 1 3 352.479 -0.045 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001328921728 849659244 /nfs/dbraw/zinc/65/92/44/849659244.db2.gz NGFQSZUPUKNVAW-VNQPRFMTSA-N 1 3 352.479 -0.045 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001328921728 849659240 /nfs/dbraw/zinc/65/92/40/849659240.db2.gz NGFQSZUPUKNVAW-VNQPRFMTSA-N 1 3 352.479 -0.045 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC001329071635 849683273 /nfs/dbraw/zinc/68/32/73/849683273.db2.gz XWIQNITWCLJWNM-INIZCTEOSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(CCNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC001329071636 849683110 /nfs/dbraw/zinc/68/31/10/849683110.db2.gz XWIQNITWCLJWNM-MRXNPFEDSA-N 1 3 352.479 -0.186 20 0 FBADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001329188578 849701196 /nfs/dbraw/zinc/70/11/96/849701196.db2.gz KQCRNOMBLSVPBS-GDBMZVCRSA-N 1 3 352.479 -0.234 20 0 FBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001329188579 849701429 /nfs/dbraw/zinc/70/14/29/849701429.db2.gz KQCRNOMBLSVPBS-GOEBONIOSA-N 1 3 352.479 -0.234 20 0 FBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001329188580 849701680 /nfs/dbraw/zinc/70/16/80/849701680.db2.gz KQCRNOMBLSVPBS-HOCLYGCPSA-N 1 3 352.479 -0.234 20 0 FBADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001329188581 849701288 /nfs/dbraw/zinc/70/12/88/849701288.db2.gz KQCRNOMBLSVPBS-ZBFHGGJFSA-N 1 3 352.479 -0.234 20 0 FBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001329337708 849722940 /nfs/dbraw/zinc/72/29/40/849722940.db2.gz BAAZNXSIIJLGOL-UHFFFAOYSA-N 1 3 353.511 -0.365 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001329443388 849742157 /nfs/dbraw/zinc/74/21/57/849742157.db2.gz ZSFOCTNQJYMHNK-HZSPNIEDSA-N 1 3 353.467 -0.295 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001329443388 849742152 /nfs/dbraw/zinc/74/21/52/849742152.db2.gz ZSFOCTNQJYMHNK-HZSPNIEDSA-N 1 3 353.467 -0.295 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001329443389 849742301 /nfs/dbraw/zinc/74/23/01/849742301.db2.gz ZSFOCTNQJYMHNK-MELADBBJSA-N 1 3 353.467 -0.295 20 0 FBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001329443389 849742296 /nfs/dbraw/zinc/74/22/96/849742296.db2.gz ZSFOCTNQJYMHNK-MELADBBJSA-N 1 3 353.467 -0.295 20 0 FBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC001329517028 849760021 /nfs/dbraw/zinc/76/00/21/849760021.db2.gz PHDYFAHGLZRDKX-HNNXBMFYSA-N 1 3 351.495 -0.565 20 0 FBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC001329517029 849760117 /nfs/dbraw/zinc/76/01/17/849760117.db2.gz PHDYFAHGLZRDKX-OAHLLOKOSA-N 1 3 351.495 -0.565 20 0 FBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001329569068 849768485 /nfs/dbraw/zinc/76/84/85/849768485.db2.gz LSKBPNPVLLBEGY-INIZCTEOSA-N 1 3 355.483 -0.855 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC001329719288 849802633 /nfs/dbraw/zinc/80/26/33/849802633.db2.gz PJEOZHWCGDBOIG-GFCCVEGCSA-N 1 3 350.410 -0.569 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C(F)F)C1 ZINC001329719291 849802583 /nfs/dbraw/zinc/80/25/83/849802583.db2.gz PJEOZHWCGDBOIG-LBPRGKRZSA-N 1 3 350.410 -0.569 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC001329725391 849803812 /nfs/dbraw/zinc/80/38/12/849803812.db2.gz PFQAHHIGGXYCKJ-UHFFFAOYSA-N 1 3 353.511 -0.364 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC001329728606 849805808 /nfs/dbraw/zinc/80/58/08/849805808.db2.gz WGHSLWUOCRYNOL-AWEZNQCLSA-N 1 3 352.479 -0.020 20 0 FBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC001329728607 849805875 /nfs/dbraw/zinc/80/58/75/849805875.db2.gz WGHSLWUOCRYNOL-CQSZACIVSA-N 1 3 352.479 -0.020 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC001329746103 849809411 /nfs/dbraw/zinc/80/94/11/849809411.db2.gz NERKMQCLQWGGRJ-UHFFFAOYSA-N 1 3 353.511 -0.412 20 0 FBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001329754374 849811829 /nfs/dbraw/zinc/81/18/29/849811829.db2.gz KDALYPYKZJBGPU-UHFFFAOYSA-N 1 3 358.508 -0.398 20 0 FBADHO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001329805910 849824503 /nfs/dbraw/zinc/82/45/03/849824503.db2.gz HCBVUDVPJXRWFD-CABCVRRESA-N 1 3 350.419 -0.675 20 0 FBADHO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001329805914 849824984 /nfs/dbraw/zinc/82/49/84/849824984.db2.gz HCBVUDVPJXRWFD-GJZGRUSLSA-N 1 3 350.419 -0.675 20 0 FBADHO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001329805918 849824396 /nfs/dbraw/zinc/82/43/96/849824396.db2.gz HCBVUDVPJXRWFD-HUUCEWRRSA-N 1 3 350.419 -0.675 20 0 FBADHO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001329805922 849824471 /nfs/dbraw/zinc/82/44/71/849824471.db2.gz HCBVUDVPJXRWFD-LSDHHAIUSA-N 1 3 350.419 -0.675 20 0 FBADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001329822344 849830163 /nfs/dbraw/zinc/83/01/63/849830163.db2.gz AYAVOUTWFRNRQP-UHFFFAOYSA-N 1 3 352.439 -0.325 20 0 FBADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329855455 849840758 /nfs/dbraw/zinc/84/07/58/849840758.db2.gz JQQXBTKCZXRDMD-UHFFFAOYSA-N 1 3 350.423 -0.943 20 0 FBADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001329857210 849840983 /nfs/dbraw/zinc/84/09/83/849840983.db2.gz SQFVCZRBFGYMMS-GDBMZVCRSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001329857211 849841150 /nfs/dbraw/zinc/84/11/50/849841150.db2.gz SQFVCZRBFGYMMS-GOEBONIOSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001329857212 849841114 /nfs/dbraw/zinc/84/11/14/849841114.db2.gz SQFVCZRBFGYMMS-HOCLYGCPSA-N 1 3 352.479 -0.057 20 0 FBADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001329857213 849840601 /nfs/dbraw/zinc/84/06/01/849840601.db2.gz SQFVCZRBFGYMMS-ZBFHGGJFSA-N 1 3 352.479 -0.057 20 0 FBADHO CN(C)CCC[C@H]1CN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CCO1 ZINC001329954004 849862717 /nfs/dbraw/zinc/86/27/17/849862717.db2.gz YPXJQTAGIJMAAL-AWEZNQCLSA-N 1 3 361.508 -0.278 20 0 FBADHO CN(C)CCC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CCO1 ZINC001329954005 849862699 /nfs/dbraw/zinc/86/26/99/849862699.db2.gz YPXJQTAGIJMAAL-CQSZACIVSA-N 1 3 361.508 -0.278 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001329993205 849868965 /nfs/dbraw/zinc/86/89/65/849868965.db2.gz UCTCWVDMZKWVOS-IYBDPMFKSA-N 1 3 353.511 -0.413 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC001330006417 849871242 /nfs/dbraw/zinc/87/12/42/849871242.db2.gz YYMAHKWQUQPSSZ-INIZCTEOSA-N 1 3 364.437 -0.179 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC001330006418 849871561 /nfs/dbraw/zinc/87/15/61/849871561.db2.gz YYMAHKWQUQPSSZ-MRXNPFEDSA-N 1 3 364.437 -0.179 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(=O)N1CCCC1 ZINC001330370958 849931308 /nfs/dbraw/zinc/93/13/08/849931308.db2.gz ALIIIHPYEBKNRZ-UHFFFAOYSA-N 1 3 355.483 -0.981 20 0 FBADHO COC(=O)C1=CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001330384150 849933032 /nfs/dbraw/zinc/93/30/32/849933032.db2.gz FMWZJOYOWYDQJG-AWEZNQCLSA-N 1 3 354.451 -0.684 20 0 FBADHO COC(=O)C1=CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001330384151 849932980 /nfs/dbraw/zinc/93/29/80/849932980.db2.gz FMWZJOYOWYDQJG-CQSZACIVSA-N 1 3 354.451 -0.684 20 0 FBADHO C[NH+](C)CCOC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001330519624 849962050 /nfs/dbraw/zinc/96/20/50/849962050.db2.gz LXCLDINWNVEWTC-UHFFFAOYSA-N 1 3 352.439 -0.107 20 0 FBADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001330521214 849961930 /nfs/dbraw/zinc/96/19/30/849961930.db2.gz SWCVSRXOXWOMOQ-LLVKDONJSA-N 1 3 350.423 -0.895 20 0 FBADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001330521214 849961916 /nfs/dbraw/zinc/96/19/16/849961916.db2.gz SWCVSRXOXWOMOQ-LLVKDONJSA-N 1 3 350.423 -0.895 20 0 FBADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001330521216 849962229 /nfs/dbraw/zinc/96/22/29/849962229.db2.gz SWCVSRXOXWOMOQ-NSHDSACASA-N 1 3 350.423 -0.895 20 0 FBADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001330521216 849962223 /nfs/dbraw/zinc/96/22/23/849962223.db2.gz SWCVSRXOXWOMOQ-NSHDSACASA-N 1 3 350.423 -0.895 20 0 FBADHO C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCC1 ZINC001330526024 849962803 /nfs/dbraw/zinc/96/28/03/849962803.db2.gz NTEMQKSPOHWPFL-LLVKDONJSA-N 1 3 350.423 -0.895 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCC1 ZINC001330526026 849963113 /nfs/dbraw/zinc/96/31/13/849963113.db2.gz NTEMQKSPOHWPFL-NSHDSACASA-N 1 3 350.423 -0.895 20 0 FBADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001330542594 849966729 /nfs/dbraw/zinc/96/67/29/849966729.db2.gz ATANFYXVDJTUTI-BBRMVZONSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001330542596 849967233 /nfs/dbraw/zinc/96/72/33/849967233.db2.gz ATANFYXVDJTUTI-CJNGLKHVSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001330542598 849967162 /nfs/dbraw/zinc/96/71/62/849967162.db2.gz ATANFYXVDJTUTI-CZUORRHYSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001330542600 849966948 /nfs/dbraw/zinc/96/69/48/849966948.db2.gz ATANFYXVDJTUTI-XJKSGUPXSA-N 1 3 352.479 -0.058 20 0 FBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001330543014 849967047 /nfs/dbraw/zinc/96/70/47/849967047.db2.gz DYTVNKOOZUYJLK-LLVKDONJSA-N 1 3 350.423 -0.943 20 0 FBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001330543014 849967038 /nfs/dbraw/zinc/96/70/38/849967038.db2.gz DYTVNKOOZUYJLK-LLVKDONJSA-N 1 3 350.423 -0.943 20 0 FBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001330543015 849967279 /nfs/dbraw/zinc/96/72/79/849967279.db2.gz DYTVNKOOZUYJLK-NSHDSACASA-N 1 3 350.423 -0.943 20 0 FBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001330543015 849967272 /nfs/dbraw/zinc/96/72/72/849967272.db2.gz DYTVNKOOZUYJLK-NSHDSACASA-N 1 3 350.423 -0.943 20 0 FBADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001330566667 849970068 /nfs/dbraw/zinc/97/00/68/849970068.db2.gz AOMGJWNYYLMZCW-UHFFFAOYSA-N 1 3 353.511 -0.332 20 0 FBADHO COC(=O)Cn1cc(CC[NH+]2CCC(N3CCN(C)CC3)CC2)nn1 ZINC001330695051 849987970 /nfs/dbraw/zinc/98/79/70/849987970.db2.gz LHVINQZGVNQWAP-UHFFFAOYSA-N 1 3 350.467 -0.295 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC001330747927 849994787 /nfs/dbraw/zinc/99/47/87/849994787.db2.gz TUHYFKRBYLMHSD-HNNXBMFYSA-N 1 3 356.511 -0.052 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(C)(C)O)C1 ZINC001330747929 849995025 /nfs/dbraw/zinc/99/50/25/849995025.db2.gz TUHYFKRBYLMHSD-OAHLLOKOSA-N 1 3 356.511 -0.052 20 0 FBADHO COCC[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001330877203 850011481 /nfs/dbraw/zinc/01/14/81/850011481.db2.gz SCBZBSYGVPJFJN-KBPBESRZSA-N 1 3 350.467 -0.111 20 0 FBADHO COCC[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001330877204 850011661 /nfs/dbraw/zinc/01/16/61/850011661.db2.gz SCBZBSYGVPJFJN-KGLIPLIRSA-N 1 3 350.467 -0.111 20 0 FBADHO COCC[C@@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001330877205 850011947 /nfs/dbraw/zinc/01/19/47/850011947.db2.gz SCBZBSYGVPJFJN-UONOGXRCSA-N 1 3 350.467 -0.111 20 0 FBADHO COCC[C@@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001330877206 850011552 /nfs/dbraw/zinc/01/15/52/850011552.db2.gz SCBZBSYGVPJFJN-ZIAGYGMSSA-N 1 3 350.467 -0.111 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CCNS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001331029125 850027782 /nfs/dbraw/zinc/02/77/82/850027782.db2.gz NLVLLKBNUIJAIR-UKRRQHHQSA-N 1 3 360.524 -0.201 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001331029125 850027778 /nfs/dbraw/zinc/02/77/78/850027778.db2.gz NLVLLKBNUIJAIR-UKRRQHHQSA-N 1 3 360.524 -0.201 20 0 FBADHO OCC1(CO)CCN(CCOCC[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001331180525 850048542 /nfs/dbraw/zinc/04/85/42/850048542.db2.gz QZACMGARAHZIQY-UHFFFAOYSA-N 1 3 360.495 -0.863 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331195017 850049612 /nfs/dbraw/zinc/04/96/12/850049612.db2.gz FIVLWURDGNVEAI-SHTZXODSSA-N 1 3 352.479 -0.057 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001331205942 850051627 /nfs/dbraw/zinc/05/16/27/850051627.db2.gz ZAEFYKXBUDCONG-BZUAXINKSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001331205943 850051950 /nfs/dbraw/zinc/05/19/50/850051950.db2.gz ZAEFYKXBUDCONG-OAGGEKHMSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001331205944 850051259 /nfs/dbraw/zinc/05/12/59/850051259.db2.gz ZAEFYKXBUDCONG-OWCLPIDISA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001331205945 850051609 /nfs/dbraw/zinc/05/16/09/850051609.db2.gz ZAEFYKXBUDCONG-PMPSAXMXSA-N 1 3 350.463 -0.291 20 0 FBADHO CN1C(=O)N=NC1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001331269247 850060661 /nfs/dbraw/zinc/06/06/61/850060661.db2.gz MKAVCGJTLHBRMN-UHFFFAOYSA-N 1 3 351.455 -0.122 20 0 FBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC1CC1 ZINC001331455480 850077781 /nfs/dbraw/zinc/07/77/81/850077781.db2.gz NNIYDSNEDHWSKJ-OUCADQQQSA-N 1 3 353.467 -0.249 20 0 FBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC1CC1 ZINC001331455480 850077769 /nfs/dbraw/zinc/07/77/69/850077769.db2.gz NNIYDSNEDHWSKJ-OUCADQQQSA-N 1 3 353.467 -0.249 20 0 FBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC1CC1 ZINC001331455482 850078182 /nfs/dbraw/zinc/07/81/82/850078182.db2.gz NNIYDSNEDHWSKJ-YRGRVCCFSA-N 1 3 353.467 -0.249 20 0 FBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(=O)NC1CC1 ZINC001331455482 850078167 /nfs/dbraw/zinc/07/81/67/850078167.db2.gz NNIYDSNEDHWSKJ-YRGRVCCFSA-N 1 3 353.467 -0.249 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC001331585831 850090731 /nfs/dbraw/zinc/09/07/31/850090731.db2.gz TYSPBLNETYOUJI-HNNXBMFYSA-N 1 3 351.495 -0.469 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC001331585832 850091030 /nfs/dbraw/zinc/09/10/30/850091030.db2.gz TYSPBLNETYOUJI-OAHLLOKOSA-N 1 3 351.495 -0.469 20 0 FBADHO CO[C@@]1(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)CCS(=O)(=O)C1 ZINC001331887004 850143234 /nfs/dbraw/zinc/14/32/34/850143234.db2.gz UBOFGJCWLVCSQD-FMKPAKJESA-N 1 3 361.508 -0.612 20 0 FBADHO CO[C@]1(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)CCS(=O)(=O)C1 ZINC001331887005 850143846 /nfs/dbraw/zinc/14/38/46/850143846.db2.gz UBOFGJCWLVCSQD-IIAWOOMASA-N 1 3 361.508 -0.612 20 0 FBADHO CN(C)C[C@@H]1CN(S(=O)(=O)CCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001332036225 846395811 /nfs/dbraw/zinc/39/58/11/846395811.db2.gz IQENNFMFOFLKSQ-CHWSQXEVSA-N 1 3 355.526 -0.968 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001332326739 850203856 /nfs/dbraw/zinc/20/38/56/850203856.db2.gz OVUKEIGAJWZGNS-WKILWMFISA-N 1 3 353.511 -0.284 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCCNS(C)(=O)=O)C(C)(C)C2)CC[N@H+]1C ZINC001332381305 850213320 /nfs/dbraw/zinc/21/33/20/850213320.db2.gz VJXDIWGHEXSTGC-MCIONIFRSA-N 1 3 360.524 -0.298 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCCNS(C)(=O)=O)C(C)(C)C2)CC[N@@H+]1C ZINC001332381305 850213309 /nfs/dbraw/zinc/21/33/09/850213309.db2.gz VJXDIWGHEXSTGC-MCIONIFRSA-N 1 3 360.524 -0.298 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCNS(C)(=O)=O)C(C)(C)C2)CC[N@H+]1C ZINC001332381306 850213665 /nfs/dbraw/zinc/21/36/65/850213665.db2.gz VJXDIWGHEXSTGC-MGPQQGTHSA-N 1 3 360.524 -0.298 20 0 FBADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCCNS(C)(=O)=O)C(C)(C)C2)CC[N@@H+]1C ZINC001332381306 850213658 /nfs/dbraw/zinc/21/36/58/850213658.db2.gz VJXDIWGHEXSTGC-MGPQQGTHSA-N 1 3 360.524 -0.298 20 0 FBADHO CC(C)N1CC[NH+](CCCC(=O)NC2CCN(CC(N)=O)CC2)CC1 ZINC001332687976 850261469 /nfs/dbraw/zinc/26/14/69/850261469.db2.gz HMUNQCCHFTZTEZ-UHFFFAOYSA-N 1 3 353.511 -0.142 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC001332691992 850263117 /nfs/dbraw/zinc/26/31/17/850263117.db2.gz FMGFXNREBDQKGV-UHFFFAOYSA-N 1 3 353.511 -0.282 20 0 FBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@H](O)COC2CCOCC2)C1 ZINC001332816654 850283259 /nfs/dbraw/zinc/28/32/59/850283259.db2.gz VMMFCIZPRJRFLA-CLWVCHIJSA-N 1 3 355.435 -0.590 20 0 FBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@H](O)COC2CCOCC2)C1 ZINC001332816656 850283297 /nfs/dbraw/zinc/28/32/97/850283297.db2.gz VMMFCIZPRJRFLA-UGQVUOCMSA-N 1 3 355.435 -0.590 20 0 FBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@@H](O)COC2CCOCC2)C1 ZINC001332816659 850283123 /nfs/dbraw/zinc/28/31/23/850283123.db2.gz VMMFCIZPRJRFLA-XNISGKROSA-N 1 3 355.435 -0.590 20 0 FBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@@H](O)COC2CCOCC2)C1 ZINC001332816662 850283635 /nfs/dbraw/zinc/28/36/35/850283635.db2.gz VMMFCIZPRJRFLA-XOUADPBQSA-N 1 3 355.435 -0.590 20 0 FBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC001332990241 850306641 /nfs/dbraw/zinc/30/66/41/850306641.db2.gz BFSPMVDCUMZZEM-HRCADAONSA-N 1 3 353.511 -0.558 20 0 FBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC001332990242 850306466 /nfs/dbraw/zinc/30/64/66/850306466.db2.gz BFSPMVDCUMZZEM-OAGGEKHMSA-N 1 3 353.511 -0.558 20 0 FBADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333532656 850385459 /nfs/dbraw/zinc/38/54/59/850385459.db2.gz SEZGWMVDISBDIV-NEPJUHHUSA-N 1 3 350.423 -0.754 20 0 FBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333532657 850385175 /nfs/dbraw/zinc/38/51/75/850385175.db2.gz SEZGWMVDISBDIV-NWDGAFQWSA-N 1 3 350.423 -0.754 20 0 FBADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333532658 850384745 /nfs/dbraw/zinc/38/47/45/850384745.db2.gz SEZGWMVDISBDIV-RYUDHWBXSA-N 1 3 350.423 -0.754 20 0 FBADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001333532659 850384705 /nfs/dbraw/zinc/38/47/05/850384705.db2.gz SEZGWMVDISBDIV-VXGBXAGGSA-N 1 3 350.423 -0.754 20 0 FBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC001333533912 850385069 /nfs/dbraw/zinc/38/50/69/850385069.db2.gz XFLBNILIKODKEB-DOMZBBRYSA-N 1 3 350.423 -0.321 20 0 FBADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001333565052 850390727 /nfs/dbraw/zinc/39/07/27/850390727.db2.gz FJMQGXROECHZKJ-LLVKDONJSA-N 1 3 350.423 -0.895 20 0 FBADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001333565052 850390718 /nfs/dbraw/zinc/39/07/18/850390718.db2.gz FJMQGXROECHZKJ-LLVKDONJSA-N 1 3 350.423 -0.895 20 0 FBADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001333565053 850390518 /nfs/dbraw/zinc/39/05/18/850390518.db2.gz FJMQGXROECHZKJ-NSHDSACASA-N 1 3 350.423 -0.895 20 0 FBADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001333565053 850390504 /nfs/dbraw/zinc/39/05/04/850390504.db2.gz FJMQGXROECHZKJ-NSHDSACASA-N 1 3 350.423 -0.895 20 0 FBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333567316 850390913 /nfs/dbraw/zinc/39/09/13/850390913.db2.gz QZJAWANCXRLSQG-KBMXLJTQSA-N 1 3 350.463 -0.291 20 0 FBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333567317 850390261 /nfs/dbraw/zinc/39/02/61/850390261.db2.gz QZJAWANCXRLSQG-VNQPRFMTSA-N 1 3 350.463 -0.291 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC001333568535 850390748 /nfs/dbraw/zinc/39/07/48/850390748.db2.gz WHYZMUTWRZZYLM-UHFFFAOYSA-N 1 3 355.483 -0.887 20 0 FBADHO CC[NH+]1CCC(NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001333946971 850428399 /nfs/dbraw/zinc/42/83/99/850428399.db2.gz LDYLDWINTCIWQZ-INIZCTEOSA-N 1 3 352.479 -0.044 20 0 FBADHO CC[NH+]1CCC(NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001333946972 850428475 /nfs/dbraw/zinc/42/84/75/850428475.db2.gz LDYLDWINTCIWQZ-MRXNPFEDSA-N 1 3 352.479 -0.044 20 0 FBADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC001333960660 850430523 /nfs/dbraw/zinc/43/05/23/850430523.db2.gz RDBOKIFZGBJURO-UHFFFAOYSA-N 1 3 353.511 -0.140 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001333980321 850434203 /nfs/dbraw/zinc/43/42/03/850434203.db2.gz UWHYQEQAIORODA-CABCVRRESA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001333980322 850434139 /nfs/dbraw/zinc/43/41/39/850434139.db2.gz UWHYQEQAIORODA-GJZGRUSLSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001333980323 850434049 /nfs/dbraw/zinc/43/40/49/850434049.db2.gz UWHYQEQAIORODA-HUUCEWRRSA-N 1 3 351.495 -0.389 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001333980325 850433999 /nfs/dbraw/zinc/43/39/99/850433999.db2.gz UWHYQEQAIORODA-LSDHHAIUSA-N 1 3 351.495 -0.389 20 0 FBADHO CCN(C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@H]1CC[NH2+]C1 ZINC001334047559 850444508 /nfs/dbraw/zinc/44/45/08/850444508.db2.gz VXDSDCMQRNCFIG-INIZCTEOSA-N 1 3 351.495 -0.565 20 0 FBADHO CCN(C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC001334047561 850444605 /nfs/dbraw/zinc/44/46/05/850444605.db2.gz VXDSDCMQRNCFIG-MRXNPFEDSA-N 1 3 351.495 -0.565 20 0 FBADHO CC[C@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001334624518 850513838 /nfs/dbraw/zinc/51/38/38/850513838.db2.gz PNULXUQOXUYRHU-RBSFLKMASA-N 1 3 354.495 -0.254 20 0 FBADHO CC[C@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001334624518 850513832 /nfs/dbraw/zinc/51/38/32/850513832.db2.gz PNULXUQOXUYRHU-RBSFLKMASA-N 1 3 354.495 -0.254 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cccc(=O)[nH]1 ZINC001334938566 850550068 /nfs/dbraw/zinc/55/00/68/850550068.db2.gz GQDHTYYLXGGPHO-UHFFFAOYSA-N 1 3 351.451 -0.303 20 0 FBADHO COC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001335045237 850569789 /nfs/dbraw/zinc/56/97/89/850569789.db2.gz DDDWIRHGZAWIAB-KGLIPLIRSA-N 1 3 356.467 -0.604 20 0 FBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001335188332 850597727 /nfs/dbraw/zinc/59/77/27/850597727.db2.gz RIKZDUYNIIEJGC-HZPDHXFCSA-N 1 3 353.511 -0.508 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001335189904 850598836 /nfs/dbraw/zinc/59/88/36/850598836.db2.gz YJIJDHVYCBCORA-JKSUJKDBSA-N 1 3 351.495 -0.802 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C[C@H]1CC[NH3+] ZINC001335224233 850605121 /nfs/dbraw/zinc/60/51/21/850605121.db2.gz ROZJDSCHBYCQTC-HZPDHXFCSA-N 1 3 353.511 -0.427 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@@H]1C[NH3+] ZINC001335240805 850608299 /nfs/dbraw/zinc/60/82/99/850608299.db2.gz KGTRZTVNEYIARW-FMKPAKJESA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@@H]1C[NH3+] ZINC001335240806 850608363 /nfs/dbraw/zinc/60/83/63/850608363.db2.gz KGTRZTVNEYIARW-IIAWOOMASA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@H]1C[NH3+] ZINC001335240807 850608356 /nfs/dbraw/zinc/60/83/56/850608356.db2.gz KGTRZTVNEYIARW-IJEWVQPXSA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@H]1C[NH3+] ZINC001335240808 850608328 /nfs/dbraw/zinc/60/83/28/850608328.db2.gz KGTRZTVNEYIARW-YCPHGPKFSA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC001335264804 850611810 /nfs/dbraw/zinc/61/18/10/850611810.db2.gz VQIXOHGPMYDEKR-HZPDHXFCSA-N 1 3 353.511 -0.556 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C[C@H]3C(N)=O)CC2)CC1 ZINC001335329828 850621355 /nfs/dbraw/zinc/62/13/55/850621355.db2.gz PKZOWAFXHQLNFY-CVEARBPZSA-N 1 3 352.479 -0.370 20 0 FBADHO C[C@@H](CN1CCN(C)CC1)NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001335475451 850636153 /nfs/dbraw/zinc/63/61/53/850636153.db2.gz DIVFYMBWZUPBAB-KRWDZBQOSA-N 1 3 354.543 -0.003 20 0 FBADHO C[C@H](CN1CCN(C)CC1)NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001335475454 850636530 /nfs/dbraw/zinc/63/65/30/850636530.db2.gz DIVFYMBWZUPBAB-QGZVFWFLSA-N 1 3 354.543 -0.003 20 0 FBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001335518950 850639721 /nfs/dbraw/zinc/63/97/21/850639721.db2.gz BTYCCVUKSQMVMO-UHFFFAOYSA-N 1 3 358.508 -0.398 20 0 FBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CCC34CCOCC4)C[C@@H]21 ZINC001336295858 850728008 /nfs/dbraw/zinc/72/80/08/850728008.db2.gz QTQMZQUJUOBCGI-CABCVRRESA-N 1 3 350.463 -0.480 20 0 FBADHO CCOC(=O)[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001336442212 850745839 /nfs/dbraw/zinc/74/58/39/850745839.db2.gz NDENGOBZJBZIRB-AWEZNQCLSA-N 1 3 356.467 -0.650 20 0 FBADHO CCOC(=O)[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001336442214 850745990 /nfs/dbraw/zinc/74/59/90/850745990.db2.gz NDENGOBZJBZIRB-CQSZACIVSA-N 1 3 356.467 -0.650 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC001336654554 850776757 /nfs/dbraw/zinc/77/67/57/850776757.db2.gz IPMHGYYRZQYROQ-JKSUJKDBSA-N 1 3 354.495 -0.131 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001336721689 850781514 /nfs/dbraw/zinc/78/15/14/850781514.db2.gz OLOJZFHNDQVZFN-IZHWHUGBSA-N 1 3 358.552 -0.123 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001336721690 850781525 /nfs/dbraw/zinc/78/15/25/850781525.db2.gz OLOJZFHNDQVZFN-MYYSRTQBSA-N 1 3 358.552 -0.123 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001336721691 850781542 /nfs/dbraw/zinc/78/15/42/850781542.db2.gz OLOJZFHNDQVZFN-OWJWWREXSA-N 1 3 358.552 -0.123 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001336722192 850781442 /nfs/dbraw/zinc/78/14/42/850781442.db2.gz OLOJZFHNDQVZFN-OYLFLEFRSA-N 1 3 358.552 -0.123 20 0 FBADHO O=C(CNCC1(O)CCS(=O)(=O)CC1)NCC[NH+]1CCCCCC1 ZINC001336805409 850784147 /nfs/dbraw/zinc/78/41/47/850784147.db2.gz USSBIHYTPYXGDC-UHFFFAOYSA-N 1 3 361.508 -0.492 20 0 FBADHO CN1CC[C@H]([NH+]2CCC(NC(=O)CN3CCC(CO)CC3)CC2)C1=O ZINC001337228103 850803972 /nfs/dbraw/zinc/80/39/72/850803972.db2.gz LBTDJWXRKDXNBT-INIZCTEOSA-N 1 3 352.479 -0.498 20 0 FBADHO CN1CC[C@@H]([NH+]2CCC(NC(=O)CN3CCC(CO)CC3)CC2)C1=O ZINC001337228104 850803945 /nfs/dbraw/zinc/80/39/45/850803945.db2.gz LBTDJWXRKDXNBT-MRXNPFEDSA-N 1 3 352.479 -0.498 20 0 FBADHO CN1CCN(C2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)CC1 ZINC001337455723 850815100 /nfs/dbraw/zinc/81/51/00/850815100.db2.gz PYKQZGILXWNUMF-UHFFFAOYSA-N 1 3 351.495 -0.517 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001337456420 850814665 /nfs/dbraw/zinc/81/46/65/850814665.db2.gz VKRWVXABTPRPAZ-BZUAXINKSA-N 1 3 353.511 -0.238 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001337456422 850815219 /nfs/dbraw/zinc/81/52/19/850815219.db2.gz VKRWVXABTPRPAZ-OAGGEKHMSA-N 1 3 353.511 -0.238 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001337456424 850814754 /nfs/dbraw/zinc/81/47/54/850814754.db2.gz VKRWVXABTPRPAZ-OWCLPIDISA-N 1 3 353.511 -0.238 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001337456426 850814787 /nfs/dbraw/zinc/81/47/87/850814787.db2.gz VKRWVXABTPRPAZ-PMPSAXMXSA-N 1 3 353.511 -0.238 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001338280512 850870070 /nfs/dbraw/zinc/87/00/70/850870070.db2.gz YIPIIYKQFVELFN-GOSISDBHSA-N 1 3 351.495 -0.515 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001338280513 850870471 /nfs/dbraw/zinc/87/04/71/850870471.db2.gz YIPIIYKQFVELFN-SFHVURJKSA-N 1 3 351.495 -0.515 20 0 FBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001338336976 850874479 /nfs/dbraw/zinc/87/44/79/850874479.db2.gz HALYGXODYAEAEP-UHFFFAOYSA-N 1 3 353.511 -0.268 20 0 FBADHO CCCN(C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338667960 850897194 /nfs/dbraw/zinc/89/71/94/850897194.db2.gz UHIBUAFPNVYUPY-BZUAXINKSA-N 1 3 356.511 -0.054 20 0 FBADHO CCCN(C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001338667960 850897188 /nfs/dbraw/zinc/89/71/88/850897188.db2.gz UHIBUAFPNVYUPY-BZUAXINKSA-N 1 3 356.511 -0.054 20 0 FBADHO CCCN(C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338667963 850897537 /nfs/dbraw/zinc/89/75/37/850897537.db2.gz UHIBUAFPNVYUPY-OWCLPIDISA-N 1 3 356.511 -0.054 20 0 FBADHO CCCN(C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001338667963 850897526 /nfs/dbraw/zinc/89/75/26/850897526.db2.gz UHIBUAFPNVYUPY-OWCLPIDISA-N 1 3 356.511 -0.054 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nnn(C)c1C(F)F ZINC001339800011 850947026 /nfs/dbraw/zinc/94/70/26/850947026.db2.gz WRFUVNBIFSXMDB-UHFFFAOYSA-N 1 3 361.397 -0.357 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001340077230 850964238 /nfs/dbraw/zinc/96/42/38/850964238.db2.gz FGZOHORPMYONJD-CVEARBPZSA-N 1 3 353.511 -0.474 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[C@H]1C[NH3+] ZINC001340077231 850964287 /nfs/dbraw/zinc/96/42/87/850964287.db2.gz FGZOHORPMYONJD-HOTGVXAUSA-N 1 3 353.511 -0.474 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001340077232 850964128 /nfs/dbraw/zinc/96/41/28/850964128.db2.gz FGZOHORPMYONJD-HZPDHXFCSA-N 1 3 353.511 -0.474 20 0 FBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC[C@@H]1C[NH3+] ZINC001340077233 850964198 /nfs/dbraw/zinc/96/41/98/850964198.db2.gz FGZOHORPMYONJD-JKSUJKDBSA-N 1 3 353.511 -0.474 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001340206573 850973191 /nfs/dbraw/zinc/97/31/91/850973191.db2.gz VSRRWGLZBDNBJB-UHFFFAOYSA-N 1 3 350.467 -0.142 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249659 850975693 /nfs/dbraw/zinc/97/56/93/850975693.db2.gz QNBBMPBVKCTWQI-CVEARBPZSA-N 1 3 353.511 -0.427 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249662 850975673 /nfs/dbraw/zinc/97/56/73/850975673.db2.gz QNBBMPBVKCTWQI-HOTGVXAUSA-N 1 3 353.511 -0.427 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249664 850975918 /nfs/dbraw/zinc/97/59/18/850975918.db2.gz QNBBMPBVKCTWQI-HZPDHXFCSA-N 1 3 353.511 -0.427 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340249667 850975555 /nfs/dbraw/zinc/97/55/55/850975555.db2.gz QNBBMPBVKCTWQI-JKSUJKDBSA-N 1 3 353.511 -0.427 20 0 FBADHO CC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001340261835 850976532 /nfs/dbraw/zinc/97/65/32/850976532.db2.gz UZXBMJFJTGTMRI-UHFFFAOYSA-N 1 3 355.483 -0.935 20 0 FBADHO COC[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CNCCO1 ZINC001340931061 851019767 /nfs/dbraw/zinc/01/97/67/851019767.db2.gz JIEDPPYLADQOGJ-JZXOWHBKSA-N 1 3 352.479 -0.581 20 0 FBADHO COC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CNCCO1 ZINC001340931064 851019651 /nfs/dbraw/zinc/01/96/51/851019651.db2.gz JIEDPPYLADQOGJ-SOLBZPMBSA-N 1 3 352.479 -0.581 20 0 FBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001340957198 851022489 /nfs/dbraw/zinc/02/24/89/851022489.db2.gz UYDPHGUBRVSISU-ARFHVFGLSA-N 1 3 352.479 -0.282 20 0 FBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001340957199 851022271 /nfs/dbraw/zinc/02/22/71/851022271.db2.gz UYDPHGUBRVSISU-HRCADAONSA-N 1 3 352.479 -0.282 20 0 FBADHO CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21)N(C)C ZINC001341071732 851035186 /nfs/dbraw/zinc/03/51/86/851035186.db2.gz SFLGHDKKJBZNOV-ARFHVFGLSA-N 1 3 354.495 -0.036 20 0 FBADHO CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]21)N(C)C ZINC001341103886 851039699 /nfs/dbraw/zinc/03/96/99/851039699.db2.gz SFLGHDKKJBZNOV-HRCADAONSA-N 1 3 354.495 -0.036 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001341184042 851048843 /nfs/dbraw/zinc/04/88/43/851048843.db2.gz XDHMFWXVFABQDA-ARFHVFGLSA-N 1 3 350.463 -0.338 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001341184042 851048830 /nfs/dbraw/zinc/04/88/30/851048830.db2.gz XDHMFWXVFABQDA-ARFHVFGLSA-N 1 3 350.463 -0.338 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001341184044 851048700 /nfs/dbraw/zinc/04/87/00/851048700.db2.gz XDHMFWXVFABQDA-BZUAXINKSA-N 1 3 350.463 -0.338 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001341184044 851048688 /nfs/dbraw/zinc/04/86/88/851048688.db2.gz XDHMFWXVFABQDA-BZUAXINKSA-N 1 3 350.463 -0.338 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001341184047 851049430 /nfs/dbraw/zinc/04/94/30/851049430.db2.gz XDHMFWXVFABQDA-HRCADAONSA-N 1 3 350.463 -0.338 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001341184047 851049422 /nfs/dbraw/zinc/04/94/22/851049422.db2.gz XDHMFWXVFABQDA-HRCADAONSA-N 1 3 350.463 -0.338 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001341184050 851049385 /nfs/dbraw/zinc/04/93/85/851049385.db2.gz XDHMFWXVFABQDA-OWCLPIDISA-N 1 3 350.463 -0.338 20 0 FBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001341184050 851049380 /nfs/dbraw/zinc/04/93/80/851049380.db2.gz XDHMFWXVFABQDA-OWCLPIDISA-N 1 3 350.463 -0.338 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001341293576 851067815 /nfs/dbraw/zinc/06/78/15/851067815.db2.gz URSLUQNLMFEIJI-INIZCTEOSA-N 1 3 352.479 -0.232 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001341293578 851068776 /nfs/dbraw/zinc/06/87/76/851068776.db2.gz URSLUQNLMFEIJI-MRXNPFEDSA-N 1 3 352.479 -0.232 20 0 FBADHO C[C@@H]1CN(CCS(=O)(=O)CCC(N)=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001341388879 851082634 /nfs/dbraw/zinc/08/26/34/851082634.db2.gz LOVVNRDTLYOJDT-CABCVRRESA-N 1 3 360.524 -0.766 20 0 FBADHO C[C@H]1CN(CCS(=O)(=O)CCC(N)=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001341388883 851082510 /nfs/dbraw/zinc/08/25/10/851082510.db2.gz LOVVNRDTLYOJDT-GJZGRUSLSA-N 1 3 360.524 -0.766 20 0 FBADHO C[C@@H]1CN(CCS(=O)(=O)CCC(N)=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC001341388885 851082894 /nfs/dbraw/zinc/08/28/94/851082894.db2.gz LOVVNRDTLYOJDT-HUUCEWRRSA-N 1 3 360.524 -0.766 20 0 FBADHO C[C@H]1CN(CCS(=O)(=O)CCC(N)=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC001341388887 851082979 /nfs/dbraw/zinc/08/29/79/851082979.db2.gz LOVVNRDTLYOJDT-LSDHHAIUSA-N 1 3 360.524 -0.766 20 0 FBADHO O=C(NCC1CCN(CC2CC2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341416887 851087448 /nfs/dbraw/zinc/08/74/48/851087448.db2.gz CRHRFZHNLRAABW-RDJZCZTQSA-N 1 3 355.504 -0.141 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001341420226 851088082 /nfs/dbraw/zinc/08/80/82/851088082.db2.gz SABFGZUAMNHUTQ-HZPDHXFCSA-N 1 3 354.495 -0.252 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341444161 851093414 /nfs/dbraw/zinc/09/34/14/851093414.db2.gz GXZOYUNCMMXDFM-ARFHVFGLSA-N 1 3 352.479 -0.642 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341444162 851093620 /nfs/dbraw/zinc/09/36/20/851093620.db2.gz GXZOYUNCMMXDFM-BZUAXINKSA-N 1 3 352.479 -0.642 20 0 FBADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1O ZINC001341445070 851094660 /nfs/dbraw/zinc/09/46/60/851094660.db2.gz NPSFHRJOHSHPIF-HUUCEWRRSA-N 1 3 352.479 -0.356 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1O ZINC001341505152 851104571 /nfs/dbraw/zinc/10/45/71/851104571.db2.gz AKDBCXNQYZAIRV-CAOSSQGBSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1O ZINC001341505152 851104565 /nfs/dbraw/zinc/10/45/65/851104565.db2.gz AKDBCXNQYZAIRV-CAOSSQGBSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341507627 851106097 /nfs/dbraw/zinc/10/60/97/851106097.db2.gz VILMXYGSSJJVLZ-ARFHVFGLSA-N 1 3 352.479 -0.644 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1O ZINC001341507628 851105801 /nfs/dbraw/zinc/10/58/01/851105801.db2.gz VILMXYGSSJJVLZ-BZUAXINKSA-N 1 3 352.479 -0.644 20 0 FBADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001341520188 851109089 /nfs/dbraw/zinc/10/90/89/851109089.db2.gz CZDGCENFGDKKKT-INMHGKMJSA-N 1 3 356.511 -0.008 20 0 FBADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001341520188 851109086 /nfs/dbraw/zinc/10/90/86/851109086.db2.gz CZDGCENFGDKKKT-INMHGKMJSA-N 1 3 356.511 -0.008 20 0 FBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O)[NH+](C)C ZINC001341520543 851108894 /nfs/dbraw/zinc/10/88/94/851108894.db2.gz FOVLIHJIUPQVRY-INMHGKMJSA-N 1 3 354.495 -0.255 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001341548085 851113921 /nfs/dbraw/zinc/11/39/21/851113921.db2.gz UHMKJWWNIPKYRA-ARFHVFGLSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001341548085 851113917 /nfs/dbraw/zinc/11/39/17/851113917.db2.gz UHMKJWWNIPKYRA-ARFHVFGLSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001341548097 851113763 /nfs/dbraw/zinc/11/37/63/851113763.db2.gz UHMKJWWNIPKYRA-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001341548097 851113756 /nfs/dbraw/zinc/11/37/56/851113756.db2.gz UHMKJWWNIPKYRA-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001341554839 851115867 /nfs/dbraw/zinc/11/58/67/851115867.db2.gz WAFSSIKIVBSCHJ-HUUCEWRRSA-N 1 3 354.495 -0.254 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341585527 851121547 /nfs/dbraw/zinc/12/15/47/851121547.db2.gz ODKFDSRYEQNOKR-RKVPGOIHSA-N 1 3 352.479 -0.329 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341585530 851121127 /nfs/dbraw/zinc/12/11/27/851121127.db2.gz ODKFDSRYEQNOKR-VKJFTORMSA-N 1 3 352.479 -0.329 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)C3CNCCS3(=O)=O)CC2)CC1 ZINC001341587999 851121476 /nfs/dbraw/zinc/12/14/76/851121476.db2.gz ZYIIYXINCPREIM-HNNXBMFYSA-N 1 3 358.508 -0.952 20 0 FBADHO C[NH+]1CCC(N2CCC(NC(=O)C3CNCCS3(=O)=O)CC2)CC1 ZINC001341588000 851121407 /nfs/dbraw/zinc/12/14/07/851121407.db2.gz ZYIIYXINCPREIM-OAHLLOKOSA-N 1 3 358.508 -0.952 20 0 FBADHO O=C(NC1CCN(C[C@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341616221 851128561 /nfs/dbraw/zinc/12/85/61/851128561.db2.gz XMFLTTFBUOYMEE-KEYYUXOJSA-N 1 3 371.503 -0.762 20 0 FBADHO O=C(NC1CCN(C[C@@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341616222 851128587 /nfs/dbraw/zinc/12/85/87/851128587.db2.gz XMFLTTFBUOYMEE-ZQIUZPCESA-N 1 3 371.503 -0.762 20 0 FBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O)[NH+](C)C ZINC001341664238 851136216 /nfs/dbraw/zinc/13/62/16/851136216.db2.gz QUAFRRIBUZHLSX-KFWWJZLASA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)N(C)C ZINC001341664595 851137927 /nfs/dbraw/zinc/13/79/27/851137927.db2.gz XKKJJWODMXDQEH-KFWWJZLASA-N 1 3 352.479 -0.644 20 0 FBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O)N(C)C ZINC001341664596 851137802 /nfs/dbraw/zinc/13/78/02/851137802.db2.gz XKKJJWODMXDQEH-RBSFLKMASA-N 1 3 352.479 -0.644 20 0 FBADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001341738613 851150456 /nfs/dbraw/zinc/15/04/56/851150456.db2.gz USWCRPOLYDROQS-BZUAXINKSA-N 1 3 354.495 -0.110 20 0 FBADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001341738614 851150993 /nfs/dbraw/zinc/15/09/93/851150993.db2.gz USWCRPOLYDROQS-OWCLPIDISA-N 1 3 354.495 -0.110 20 0 FBADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CNCCS1(=O)=O ZINC001341794694 851160334 /nfs/dbraw/zinc/16/03/34/851160334.db2.gz FZVDLBDOPKZRRR-HNNXBMFYSA-N 1 3 362.540 -0.505 20 0 FBADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CNCCS1(=O)=O ZINC001341794697 851159943 /nfs/dbraw/zinc/15/99/43/851159943.db2.gz FZVDLBDOPKZRRR-OAHLLOKOSA-N 1 3 362.540 -0.505 20 0 FBADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1CNCCS1(=O)=O ZINC001342187928 851209062 /nfs/dbraw/zinc/20/90/62/851209062.db2.gz AANRAHSTWWVROM-HNNXBMFYSA-N 1 3 359.492 -0.620 20 0 FBADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1CNCCS1(=O)=O ZINC001342187932 851208962 /nfs/dbraw/zinc/20/89/62/851208962.db2.gz AANRAHSTWWVROM-OAHLLOKOSA-N 1 3 359.492 -0.620 20 0 FBADHO O=C(NC[C@H]1CCCN(CC2CC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001342273205 851215441 /nfs/dbraw/zinc/21/54/41/851215441.db2.gz XDLWSSSQLXXAFZ-VYDXJSESSA-N 1 3 355.504 -0.141 20 0 FBADHO O=C(NC[C@@H]1CCCN(CC2CC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001342273208 851215412 /nfs/dbraw/zinc/21/54/12/851215412.db2.gz XDLWSSSQLXXAFZ-ZOBUZTSGSA-N 1 3 355.504 -0.141 20 0 FBADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001342392349 851227577 /nfs/dbraw/zinc/22/75/77/851227577.db2.gz NJKNDAAHXWBVTH-KRWDZBQOSA-N 1 3 353.511 -0.286 20 0 FBADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001342392350 851227698 /nfs/dbraw/zinc/22/76/98/851227698.db2.gz NJKNDAAHXWBVTH-QGZVFWFLSA-N 1 3 353.511 -0.286 20 0 FBADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC)N(C)C ZINC001342953508 851289461 /nfs/dbraw/zinc/28/94/61/851289461.db2.gz NRUYEMNZQDPJNW-RBSFLKMASA-N 1 3 352.479 -0.236 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001342997623 851295064 /nfs/dbraw/zinc/29/50/64/851295064.db2.gz NVPVQXCWBQCCTB-HUUCEWRRSA-N 1 3 352.479 -0.234 20 0 FBADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OC)N(C)C ZINC001343114940 851310795 /nfs/dbraw/zinc/31/07/95/851310795.db2.gz NRUYEMNZQDPJNW-QLFBSQMISA-N 1 3 352.479 -0.236 20 0 FBADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001343371820 851359501 /nfs/dbraw/zinc/35/95/01/851359501.db2.gz SABFGZUAMNHUTQ-CVEARBPZSA-N 1 3 354.495 -0.252 20 0 FBADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H](C)O1 ZINC001343393861 851364090 /nfs/dbraw/zinc/36/40/90/851364090.db2.gz IUPGITVAJPCLJZ-KFWWJZLASA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001343393863 851364215 /nfs/dbraw/zinc/36/42/15/851364215.db2.gz IUPGITVAJPCLJZ-QLFBSQMISA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H](C)O1 ZINC001343393865 851364119 /nfs/dbraw/zinc/36/41/19/851364119.db2.gz IUPGITVAJPCLJZ-RBSFLKMASA-N 1 3 352.479 -0.188 20 0 FBADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001343393867 851364302 /nfs/dbraw/zinc/36/43/02/851364302.db2.gz IUPGITVAJPCLJZ-ZNMIVQPWSA-N 1 3 352.479 -0.188 20 0 FBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001343422168 851369856 /nfs/dbraw/zinc/36/98/56/851369856.db2.gz WYNXNNYOXFXHDO-QAPCUYQASA-N 1 3 352.479 -0.375 20 0 FBADHO C[C@H]([NH3+])C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC001343422302 851369691 /nfs/dbraw/zinc/36/96/91/851369691.db2.gz YYOWUHCCTHBADZ-HNNXBMFYSA-N 1 3 352.479 -0.103 20 0 FBADHO C[C@@H]([NH3+])C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC001343422304 851369763 /nfs/dbraw/zinc/36/97/63/851369763.db2.gz YYOWUHCCTHBADZ-OAHLLOKOSA-N 1 3 352.479 -0.103 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343451051 851377277 /nfs/dbraw/zinc/37/72/77/851377277.db2.gz AKDBCXNQYZAIRV-JONQDZQNSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1O ZINC001343451051 851377261 /nfs/dbraw/zinc/37/72/61/851377261.db2.gz AKDBCXNQYZAIRV-JONQDZQNSA-N 1 3 354.495 -0.255 20 0 FBADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1O ZINC001343451084 851376999 /nfs/dbraw/zinc/37/69/99/851376999.db2.gz BRHCSSMJTBTDSN-CABCVRRESA-N 1 3 354.495 -0.111 20 0 FBADHO CCN1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001343451712 851377592 /nfs/dbraw/zinc/37/75/92/851377592.db2.gz DUHCNQCXQHZLCN-RDJZCZTQSA-N 1 3 372.535 -0.846 20 0 FBADHO CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)N(C)C ZINC001343453901 851378385 /nfs/dbraw/zinc/37/83/85/851378385.db2.gz UUQSEOHCCLZVCY-PMPSAXMXSA-N 1 3 354.495 -0.110 20 0 FBADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001343462538 851381022 /nfs/dbraw/zinc/38/10/22/851381022.db2.gz LOMJUCFZQHMXMM-KGLIPLIRSA-N 1 3 354.495 -0.111 20 0 FBADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001343462538 851381014 /nfs/dbraw/zinc/38/10/14/851381014.db2.gz LOMJUCFZQHMXMM-KGLIPLIRSA-N 1 3 354.495 -0.111 20 0 FBADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1O)N(C)C ZINC001343466480 851382212 /nfs/dbraw/zinc/38/22/12/851382212.db2.gz NBIFDUDCRYIVIR-UGUYLWEFSA-N 1 3 356.511 -0.153 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001343495059 851386627 /nfs/dbraw/zinc/38/66/27/851386627.db2.gz UHMKJWWNIPKYRA-OAGGEKHMSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001343495059 851386620 /nfs/dbraw/zinc/38/66/20/851386620.db2.gz UHMKJWWNIPKYRA-OAGGEKHMSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001343495060 851386418 /nfs/dbraw/zinc/38/64/18/851386418.db2.gz UHMKJWWNIPKYRA-XHSDSOJGSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001343495060 851386411 /nfs/dbraw/zinc/38/64/11/851386411.db2.gz UHMKJWWNIPKYRA-XHSDSOJGSA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001343570300 851400465 /nfs/dbraw/zinc/40/04/65/851400465.db2.gz MRHUQKCRFNHVCF-CABCVRRESA-N 1 3 352.479 -0.356 20 0 FBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001343614291 851408358 /nfs/dbraw/zinc/40/83/58/851408358.db2.gz RXNZMMWDIUDNHF-CABCVRRESA-N 1 3 351.451 -0.320 20 0 FBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001343616264 851408444 /nfs/dbraw/zinc/40/84/44/851408444.db2.gz CKDSWUSVBOQBDU-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001343616264 851408435 /nfs/dbraw/zinc/40/84/35/851408435.db2.gz CKDSWUSVBOQBDU-CABCVRRESA-N 1 3 354.495 -0.110 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001343655947 851416607 /nfs/dbraw/zinc/41/66/07/851416607.db2.gz ZWUOYWUDEGCMEO-JONQDZQNSA-N 1 3 354.495 -0.254 20 0 FBADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001343655947 851416600 /nfs/dbraw/zinc/41/66/00/851416600.db2.gz ZWUOYWUDEGCMEO-JONQDZQNSA-N 1 3 354.495 -0.254 20 0 FBADHO CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O)[NH+](C)C ZINC001343704744 851422945 /nfs/dbraw/zinc/42/29/45/851422945.db2.gz FOVLIHJIUPQVRY-HLLBOEOZSA-N 1 3 354.495 -0.255 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1=O ZINC001344642700 851513564 /nfs/dbraw/zinc/51/35/64/851513564.db2.gz SHSZNBWPKBBUNR-CABCVRRESA-N 1 3 352.479 -0.329 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1=O ZINC001344642705 851513494 /nfs/dbraw/zinc/51/34/94/851513494.db2.gz SHSZNBWPKBBUNR-GJZGRUSLSA-N 1 3 352.479 -0.329 20 0 FBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1=O ZINC001344642710 851513112 /nfs/dbraw/zinc/51/31/12/851513112.db2.gz SHSZNBWPKBBUNR-HUUCEWRRSA-N 1 3 352.479 -0.329 20 0 FBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1=O ZINC001344642715 851513472 /nfs/dbraw/zinc/51/34/72/851513472.db2.gz SHSZNBWPKBBUNR-LSDHHAIUSA-N 1 3 352.479 -0.329 20 0 FBADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CC1 ZINC001344651822 851512829 /nfs/dbraw/zinc/51/28/29/851512829.db2.gz KNHCDUJPHIFHGD-DAYGRLMNSA-N 1 3 352.479 -0.247 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001344754570 851519329 /nfs/dbraw/zinc/51/93/29/851519329.db2.gz AWFHRYVQQZFIFU-HNNXBMFYSA-N 1 3 350.410 -0.833 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](O)(C(F)F)C1 ZINC001344754571 851519951 /nfs/dbraw/zinc/51/99/51/851519951.db2.gz AWFHRYVQQZFIFU-OAHLLOKOSA-N 1 3 350.410 -0.833 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)CN1CCN(C)CC1 ZINC001344774770 851522097 /nfs/dbraw/zinc/52/20/97/851522097.db2.gz QRVWNPZLVDEAHG-CVEARBPZSA-N 1 3 353.511 -0.604 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)CN1CCN(C)CC1 ZINC001344774778 851522146 /nfs/dbraw/zinc/52/21/46/851522146.db2.gz QRVWNPZLVDEAHG-HOTGVXAUSA-N 1 3 353.511 -0.604 20 0 FBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)CN1CCN(C)CC1 ZINC001344774780 851522381 /nfs/dbraw/zinc/52/23/81/851522381.db2.gz QRVWNPZLVDEAHG-HZPDHXFCSA-N 1 3 353.511 -0.604 20 0 FBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)CN1CCN(C)CC1 ZINC001344774782 851521809 /nfs/dbraw/zinc/52/18/09/851521809.db2.gz QRVWNPZLVDEAHG-JKSUJKDBSA-N 1 3 353.511 -0.604 20 0 FBADHO CCN1CCN(CCC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001344929601 851539291 /nfs/dbraw/zinc/53/92/91/851539291.db2.gz BUTKLPZMHVPBPM-HNNXBMFYSA-N 1 3 352.479 -0.185 20 0 FBADHO CCN1CCN(CCC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC001344929603 851539406 /nfs/dbraw/zinc/53/94/06/851539406.db2.gz BUTKLPZMHVPBPM-OAHLLOKOSA-N 1 3 352.479 -0.185 20 0 FBADHO COC(=O)C1CCN(CCCNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001345767047 851625192 /nfs/dbraw/zinc/62/51/92/851625192.db2.gz CEMPAMKXFIAUTC-UHFFFAOYSA-N 1 3 352.439 -0.368 20 0 FBADHO C[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CCN(C)CC1 ZINC001345881150 851636821 /nfs/dbraw/zinc/63/68/21/851636821.db2.gz CXXBZMHNCCMPCZ-INIZCTEOSA-N 1 3 354.543 -0.053 20 0 FBADHO C[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCN(C)CC1 ZINC001345881150 851636815 /nfs/dbraw/zinc/63/68/15/851636815.db2.gz CXXBZMHNCCMPCZ-INIZCTEOSA-N 1 3 354.543 -0.053 20 0 FBADHO C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)N1CCN(C)CC1 ZINC001345881151 851636496 /nfs/dbraw/zinc/63/64/96/851636496.db2.gz CXXBZMHNCCMPCZ-MRXNPFEDSA-N 1 3 354.543 -0.053 20 0 FBADHO C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CCN(C)CC1 ZINC001345881151 851636492 /nfs/dbraw/zinc/63/64/92/851636492.db2.gz CXXBZMHNCCMPCZ-MRXNPFEDSA-N 1 3 354.543 -0.053 20 0 FBADHO CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001345957401 851643334 /nfs/dbraw/zinc/64/33/34/851643334.db2.gz BQTAJRGOGIHJMG-INIZCTEOSA-N 1 3 355.527 -0.167 20 0 FBADHO CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001345957416 851643488 /nfs/dbraw/zinc/64/34/88/851643488.db2.gz BQTAJRGOGIHJMG-MRXNPFEDSA-N 1 3 355.527 -0.167 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1CC[NH3+] ZINC001345983050 851646257 /nfs/dbraw/zinc/64/62/57/851646257.db2.gz QULMEJKXUSVRHD-FMKPAKJESA-N 1 3 352.479 -0.201 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1CC[NH3+] ZINC001345983051 851646020 /nfs/dbraw/zinc/64/60/20/851646020.db2.gz QULMEJKXUSVRHD-IIAWOOMASA-N 1 3 352.479 -0.201 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(=O)N1CCCCC1 ZINC001346055783 851653253 /nfs/dbraw/zinc/65/32/53/851653253.db2.gz DHUNFAKYFIBQKL-UHFFFAOYSA-N 1 3 355.483 -0.933 20 0 FBADHO CN1CCN(C2CCN(C(=O)NCCN3CCC([NH3+])CC3)CC2)CC1 ZINC001346569314 851708987 /nfs/dbraw/zinc/70/89/87/851708987.db2.gz GUJCFANAWNKPRX-UHFFFAOYSA-N 1 3 352.527 -0.169 20 0 FBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCOC3(CNC3)C2)CC1 ZINC001347062186 851751694 /nfs/dbraw/zinc/75/16/94/851751694.db2.gz YEIIGVSDWSCXOY-UHFFFAOYSA-N 1 3 353.467 -0.639 20 0 FBADHO C[N@@H+](CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC1 ZINC001347063578 851751931 /nfs/dbraw/zinc/75/19/31/851751931.db2.gz RLILNVNABDMOGL-UHFFFAOYSA-N 1 3 350.423 -0.752 20 0 FBADHO C[N@H+](CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC1 ZINC001347063578 851751927 /nfs/dbraw/zinc/75/19/27/851751927.db2.gz RLILNVNABDMOGL-UHFFFAOYSA-N 1 3 350.423 -0.752 20 0 FBADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001347063586 851751783 /nfs/dbraw/zinc/75/17/83/851751783.db2.gz RMCAXHBFSRXVEO-UHFFFAOYSA-N 1 3 350.423 -0.754 20 0 FBADHO CCN1CCN(C2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC001347432149 851790621 /nfs/dbraw/zinc/79/06/21/851790621.db2.gz HACLIKDPFPAGJU-HNNXBMFYSA-N 1 3 351.495 -0.755 20 0 FBADHO CCN1CCN(C2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2)CC1 ZINC001347432151 851791612 /nfs/dbraw/zinc/79/16/12/851791612.db2.gz HACLIKDPFPAGJU-OAHLLOKOSA-N 1 3 351.495 -0.755 20 0 FBADHO C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CN(C)CCN1C ZINC001348079846 851841415 /nfs/dbraw/zinc/84/14/15/851841415.db2.gz JFVHAUUACZFQEF-CVEARBPZSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CN(C)CCN1C ZINC001348079846 851841410 /nfs/dbraw/zinc/84/14/10/851841410.db2.gz JFVHAUUACZFQEF-CVEARBPZSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CN(C)CCN1C ZINC001348079848 851841854 /nfs/dbraw/zinc/84/18/54/851841854.db2.gz JFVHAUUACZFQEF-HOTGVXAUSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CN(C)CCN1C ZINC001348079848 851841846 /nfs/dbraw/zinc/84/18/46/851841846.db2.gz JFVHAUUACZFQEF-HOTGVXAUSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CN(C)CCN1C ZINC001348079921 851841320 /nfs/dbraw/zinc/84/13/20/851841320.db2.gz JFVHAUUACZFQEF-HZPDHXFCSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CN(C)CCN1C ZINC001348079921 851841314 /nfs/dbraw/zinc/84/13/14/851841314.db2.gz JFVHAUUACZFQEF-HZPDHXFCSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CN(C)CCN1C ZINC001348079923 851841676 /nfs/dbraw/zinc/84/16/76/851841676.db2.gz JFVHAUUACZFQEF-JKSUJKDBSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CN(C)CCN1C ZINC001348079923 851841664 /nfs/dbraw/zinc/84/16/64/851841664.db2.gz JFVHAUUACZFQEF-JKSUJKDBSA-N 1 3 354.543 -0.054 20 0 FBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001349582701 851939686 /nfs/dbraw/zinc/93/96/86/851939686.db2.gz YXKKKYVUIQJWEJ-BBWFWOEESA-N 1 3 352.479 -0.105 20 0 FBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC001349582705 851939451 /nfs/dbraw/zinc/93/94/51/851939451.db2.gz YXKKKYVUIQJWEJ-GVDBMIGSSA-N 1 3 352.479 -0.105 20 0 FBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001349582710 851939574 /nfs/dbraw/zinc/93/95/74/851939574.db2.gz YXKKKYVUIQJWEJ-ULQDDVLXSA-N 1 3 352.479 -0.105 20 0 FBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC001349582713 851939223 /nfs/dbraw/zinc/93/92/23/851939223.db2.gz YXKKKYVUIQJWEJ-YESZJQIVSA-N 1 3 352.479 -0.105 20 0 FBADHO COC[C@@]1(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CNCCO1 ZINC001349600858 851940395 /nfs/dbraw/zinc/94/03/95/851940395.db2.gz ZXJIEDFMOWFGBK-GOSISDBHSA-N 1 3 354.495 -0.334 20 0 FBADHO COC[C@]1(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CNCCO1 ZINC001349600860 851940304 /nfs/dbraw/zinc/94/03/04/851940304.db2.gz ZXJIEDFMOWFGBK-SFHVURJKSA-N 1 3 354.495 -0.334 20 0 FBADHO CC(C)N1CC[NH+](CCCC(=O)NCC(=O)N2CCN(C)CC2)CC1 ZINC001349617539 851941942 /nfs/dbraw/zinc/94/19/42/851941942.db2.gz KFCOEAZOIAGSDZ-UHFFFAOYSA-N 1 3 353.511 -0.317 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C(N)=O)CCOC3)CC2)CC1 ZINC001349827559 851956538 /nfs/dbraw/zinc/95/65/38/851956538.db2.gz WFQXEUZQWCAAPB-GOSISDBHSA-N 1 3 352.479 -0.057 20 0 FBADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C(N)=O)CCOC3)CC2)CC1 ZINC001349827562 851956300 /nfs/dbraw/zinc/95/63/00/851956300.db2.gz WFQXEUZQWCAAPB-SFHVURJKSA-N 1 3 352.479 -0.057 20 0 FBADHO COC[C@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]C1 ZINC001349848834 851957381 /nfs/dbraw/zinc/95/73/81/851957381.db2.gz CUEUYUOTKOOPMR-KRWDZBQOSA-N 1 3 352.479 -0.055 20 0 FBADHO COC[C@@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]C1 ZINC001349848837 851957291 /nfs/dbraw/zinc/95/72/91/851957291.db2.gz CUEUYUOTKOOPMR-QGZVFWFLSA-N 1 3 352.479 -0.055 20 0 FBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001349849756 851957197 /nfs/dbraw/zinc/95/71/97/851957197.db2.gz QJYIFVGPULAQNJ-YOEHRIQHSA-N 1 3 350.463 -0.445 20 0 FBADHO CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001349852454 851957137 /nfs/dbraw/zinc/95/71/37/851957137.db2.gz PTQPECFIKJJACY-IYBDPMFKSA-N 1 3 353.511 -0.461 20 0 FBADHO CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001350024790 851964718 /nfs/dbraw/zinc/96/47/18/851964718.db2.gz AEDCZXSFYUNMPP-WKILWMFISA-N 1 3 353.511 -0.236 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC001350027144 851964787 /nfs/dbraw/zinc/96/47/87/851964787.db2.gz AXVSVSGPXQSXOG-GOSISDBHSA-N 1 3 354.495 -0.033 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC001350027330 851965060 /nfs/dbraw/zinc/96/50/60/851965060.db2.gz AXVSVSGPXQSXOG-SFHVURJKSA-N 1 3 354.495 -0.033 20 0 FBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC001350202079 851973390 /nfs/dbraw/zinc/97/33/90/851973390.db2.gz NTVOSOODOWKDMC-HDICACEKSA-N 1 3 354.495 -0.177 20 0 FBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001350344270 851983856 /nfs/dbraw/zinc/98/38/56/851983856.db2.gz INAAUSNDXMSLOL-DZKIICNBSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001350344271 851983469 /nfs/dbraw/zinc/98/34/69/851983469.db2.gz INAAUSNDXMSLOL-LZWOXQAQSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001350344272 851983783 /nfs/dbraw/zinc/98/37/83/851983783.db2.gz INAAUSNDXMSLOL-OFQRWUPVSA-N 1 3 352.479 -0.058 20 0 FBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001350344273 851983348 /nfs/dbraw/zinc/98/33/48/851983348.db2.gz INAAUSNDXMSLOL-SQWLQELKSA-N 1 3 352.479 -0.058 20 0 FBADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001350346650 851983838 /nfs/dbraw/zinc/98/38/38/851983838.db2.gz VGOBJUZDWUWTOW-GDBMZVCRSA-N 1 3 352.479 -0.186 20 0 FBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001350346651 851983732 /nfs/dbraw/zinc/98/37/32/851983732.db2.gz VGOBJUZDWUWTOW-GOEBONIOSA-N 1 3 352.479 -0.186 20 0 FBADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001350346652 851983632 /nfs/dbraw/zinc/98/36/32/851983632.db2.gz VGOBJUZDWUWTOW-HOCLYGCPSA-N 1 3 352.479 -0.186 20 0 FBADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001350346653 851983616 /nfs/dbraw/zinc/98/36/16/851983616.db2.gz VGOBJUZDWUWTOW-ZBFHGGJFSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001350356693 851984870 /nfs/dbraw/zinc/98/48/70/851984870.db2.gz ZXXRITUUAOEANV-UHFFFAOYSA-N 1 3 350.423 -0.799 20 0 FBADHO C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CN(C)CCN1C ZINC001350816771 852014474 /nfs/dbraw/zinc/01/44/74/852014474.db2.gz VMXBLYXHSAYIFD-DOTOQJQBSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CN(C)CCN1C ZINC001350816772 852014498 /nfs/dbraw/zinc/01/44/98/852014498.db2.gz VMXBLYXHSAYIFD-NVXWUHKLSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CN(C)CCN1C ZINC001350816773 852013874 /nfs/dbraw/zinc/01/38/74/852013874.db2.gz VMXBLYXHSAYIFD-RDJZCZTQSA-N 1 3 354.543 -0.054 20 0 FBADHO C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CN(C)CCN1C ZINC001350816774 852014302 /nfs/dbraw/zinc/01/43/02/852014302.db2.gz VMXBLYXHSAYIFD-WBVHZDCISA-N 1 3 354.543 -0.054 20 0 FBADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001351568490 852061545 /nfs/dbraw/zinc/06/15/45/852061545.db2.gz GOEZYHAWNDYHOT-CABCVRRESA-N 1 3 350.463 -0.243 20 0 FBADHO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001351568492 852061282 /nfs/dbraw/zinc/06/12/82/852061282.db2.gz GOEZYHAWNDYHOT-GJZGRUSLSA-N 1 3 350.463 -0.243 20 0 FBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001351568622 852061650 /nfs/dbraw/zinc/06/16/50/852061650.db2.gz GOEZYHAWNDYHOT-HUUCEWRRSA-N 1 3 350.463 -0.243 20 0 FBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001351568625 852061596 /nfs/dbraw/zinc/06/15/96/852061596.db2.gz GOEZYHAWNDYHOT-LSDHHAIUSA-N 1 3 350.463 -0.243 20 0 FBADHO CS(=O)(=O)N1CCC(NC(=O)CN2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001351801988 852077927 /nfs/dbraw/zinc/07/79/27/852077927.db2.gz UJHGEKMLKXTHTO-UHFFFAOYSA-N 1 3 372.535 -0.008 20 0 FBADHO CN1CCN(C2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001352052736 852090743 /nfs/dbraw/zinc/09/07/43/852090743.db2.gz CHLXAGRLXDRZFK-INIZCTEOSA-N 1 3 351.495 -0.517 20 0 FBADHO CN1CCN(C2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC001352052737 852090828 /nfs/dbraw/zinc/09/08/28/852090828.db2.gz CHLXAGRLXDRZFK-MRXNPFEDSA-N 1 3 351.495 -0.517 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCC23CCOCC3)CC[N@H+]1C ZINC001353121252 852170563 /nfs/dbraw/zinc/17/05/63/852170563.db2.gz IFPPRQHLRDCPNZ-CABCVRRESA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCC23CCOCC3)CC[N@@H+]1C ZINC001353121252 852170562 /nfs/dbraw/zinc/17/05/62/852170562.db2.gz IFPPRQHLRDCPNZ-CABCVRRESA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCC23CCOCC3)CC[N@H+]1C ZINC001353121253 852170571 /nfs/dbraw/zinc/17/05/71/852170571.db2.gz IFPPRQHLRDCPNZ-GJZGRUSLSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCC23CCOCC3)CC[N@@H+]1C ZINC001353121253 852170570 /nfs/dbraw/zinc/17/05/70/852170570.db2.gz IFPPRQHLRDCPNZ-GJZGRUSLSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCC23CCOCC3)CC[N@H+]1C ZINC001353121254 852170095 /nfs/dbraw/zinc/17/00/95/852170095.db2.gz IFPPRQHLRDCPNZ-HUUCEWRRSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCC23CCOCC3)CC[N@@H+]1C ZINC001353121254 852170085 /nfs/dbraw/zinc/17/00/85/852170085.db2.gz IFPPRQHLRDCPNZ-HUUCEWRRSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCCC23CCOCC3)CC[N@H+]1C ZINC001353121255 852170245 /nfs/dbraw/zinc/17/02/45/852170245.db2.gz IFPPRQHLRDCPNZ-LSDHHAIUSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCCC23CCOCC3)CC[N@@H+]1C ZINC001353121255 852170242 /nfs/dbraw/zinc/17/02/42/852170242.db2.gz IFPPRQHLRDCPNZ-LSDHHAIUSA-N 1 3 352.479 -0.044 20 0 FBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001353159164 852174035 /nfs/dbraw/zinc/17/40/35/852174035.db2.gz NIHWUAIWTVHOMK-FMKPAKJESA-N 1 3 352.479 -0.282 20 0 FBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001353159166 852174022 /nfs/dbraw/zinc/17/40/22/852174022.db2.gz NIHWUAIWTVHOMK-IIAWOOMASA-N 1 3 352.479 -0.282 20 0 FBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001353309192 852181191 /nfs/dbraw/zinc/18/11/91/852181191.db2.gz JACWCFLOQIUHNV-DZKIICNBSA-N 1 3 352.479 -0.010 20 0 FBADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001353309195 852181408 /nfs/dbraw/zinc/18/14/08/852181408.db2.gz JACWCFLOQIUHNV-IIAWOOMASA-N 1 3 352.479 -0.010 20 0 FBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001353324988 852182362 /nfs/dbraw/zinc/18/23/62/852182362.db2.gz FIVLWURDGNVEAI-GASCZTMLSA-N 1 3 352.479 -0.057 20 0 FBADHO CN1CCN(C2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)CC1 ZINC001353488575 852189019 /nfs/dbraw/zinc/18/90/19/852189019.db2.gz KNELUIUZHMOWMK-UHFFFAOYSA-N 1 3 352.527 -0.297 20 0 FBADHO [NH3+]CCn1cc(Br)cc(C(=O)NC[C@@H]2CNCCO2)c1=O ZINC001353881755 852204259 /nfs/dbraw/zinc/20/42/59/852204259.db2.gz ILVJYQAMJXLOCW-JTQLQIEISA-N 1 3 359.224 -0.712 20 0 FBADHO [NH3+]CCn1cc(Br)cc(C(=O)NC[C@H]2CNCCO2)c1=O ZINC001353881758 852203920 /nfs/dbraw/zinc/20/39/20/852203920.db2.gz ILVJYQAMJXLOCW-SNVBAGLBSA-N 1 3 359.224 -0.712 20 0 FBADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@H]1C(=O)NCC12CCOCC2 ZINC001354206276 852215816 /nfs/dbraw/zinc/21/58/16/852215816.db2.gz XEOAGBBETIQHJJ-CABCVRRESA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@H]1C(=O)NCC12CCOCC2 ZINC001354206276 852215805 /nfs/dbraw/zinc/21/58/05/852215805.db2.gz XEOAGBBETIQHJJ-CABCVRRESA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1C(=O)NCC12CCOCC2 ZINC001354206277 852215133 /nfs/dbraw/zinc/21/51/33/852215133.db2.gz XEOAGBBETIQHJJ-GJZGRUSLSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1C(=O)NCC12CCOCC2 ZINC001354206277 852215131 /nfs/dbraw/zinc/21/51/31/852215131.db2.gz XEOAGBBETIQHJJ-GJZGRUSLSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001354206278 852216063 /nfs/dbraw/zinc/21/60/63/852216063.db2.gz XEOAGBBETIQHJJ-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001354206278 852216051 /nfs/dbraw/zinc/21/60/51/852216051.db2.gz XEOAGBBETIQHJJ-HUUCEWRRSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001354206279 852215877 /nfs/dbraw/zinc/21/58/77/852215877.db2.gz XEOAGBBETIQHJJ-LSDHHAIUSA-N 1 3 352.479 -0.186 20 0 FBADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001354206279 852215867 /nfs/dbraw/zinc/21/58/67/852215867.db2.gz XEOAGBBETIQHJJ-LSDHHAIUSA-N 1 3 352.479 -0.186 20 0 FBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C[C@H]1C[NH3+] ZINC001354245527 852216637 /nfs/dbraw/zinc/21/66/37/852216637.db2.gz CZTJRPPUFVNOAF-HUUCEWRRSA-N 1 3 351.495 -0.722 20 0 FBADHO CN1CCN(C2CCN(C(=O)[C@H]3CCCN(CC[NH3+])C3=O)CC2)CC1 ZINC001354524584 852231646 /nfs/dbraw/zinc/23/16/46/852231646.db2.gz ZWRMVKBQMUCWDU-INIZCTEOSA-N 1 3 351.495 -0.578 20 0 FBADHO CN1CCN(C2CCN(C(=O)[C@@H]3CCCN(CC[NH3+])C3=O)CC2)CC1 ZINC001354524585 852231041 /nfs/dbraw/zinc/23/10/41/852231041.db2.gz ZWRMVKBQMUCWDU-MRXNPFEDSA-N 1 3 351.495 -0.578 20 0 FBADHO CCN1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC001354934449 852247833 /nfs/dbraw/zinc/24/78/33/852247833.db2.gz SHOCBLZFGNDWKB-AWEZNQCLSA-N 1 3 355.483 -0.935 20 0 FBADHO CCN1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC001354934451 852248365 /nfs/dbraw/zinc/24/83/65/852248365.db2.gz SHOCBLZFGNDWKB-CQSZACIVSA-N 1 3 355.483 -0.935 20 0 FBADHO CN(C)S(=O)(=O)N[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)C1CCCC1 ZINC001357210368 852329728 /nfs/dbraw/zinc/32/97/28/852329728.db2.gz NZTHUXGAJLSLAG-CVEARBPZSA-N 1 3 362.540 -0.013 20 0 FBADHO CN(C)S(=O)(=O)N[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)C1CCCC1 ZINC001357210373 852330128 /nfs/dbraw/zinc/33/01/28/852330128.db2.gz NZTHUXGAJLSLAG-HOTGVXAUSA-N 1 3 362.540 -0.013 20 0 FBADHO CN(C)S(=O)(=O)N[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)C1CCCC1 ZINC001357210374 852329902 /nfs/dbraw/zinc/32/99/02/852329902.db2.gz NZTHUXGAJLSLAG-HZPDHXFCSA-N 1 3 362.540 -0.013 20 0 FBADHO CN(C)S(=O)(=O)N[C@H](C[NH2+]C[C@H](O)CN1CCCC1)C1CCCC1 ZINC001357210375 852330210 /nfs/dbraw/zinc/33/02/10/852330210.db2.gz NZTHUXGAJLSLAG-JKSUJKDBSA-N 1 3 362.540 -0.013 20 0 FBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001357391698 852334485 /nfs/dbraw/zinc/33/44/85/852334485.db2.gz LRNUZEGLCQUSSC-HNNXBMFYSA-N 1 3 350.467 -0.096 20 0 FBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccn(CCC[NH3+])n1 ZINC001357391699 852335008 /nfs/dbraw/zinc/33/50/08/852335008.db2.gz LRNUZEGLCQUSSC-OAHLLOKOSA-N 1 3 350.467 -0.096 20 0 FBADHO O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001357589625 852343955 /nfs/dbraw/zinc/34/39/55/852343955.db2.gz CEHOHRQHULDKOB-BFHYXJOUSA-N 1 3 352.435 -0.868 20 0 FBADHO O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001357589626 852343887 /nfs/dbraw/zinc/34/38/87/852343887.db2.gz CEHOHRQHULDKOB-MJBXVCDLSA-N 1 3 352.435 -0.868 20 0 FBADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)C[C@H]1c1ccccc1F ZINC001357629950 852344315 /nfs/dbraw/zinc/34/43/15/852344315.db2.gz MPSPJTGCDPLOPG-CQPIRRRNSA-N 1 3 367.446 -0.287 20 0 FBADHO