smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)[nH]c1c2ncn(CCN2CC[NH2+]CC2)c1=O ZINC000020290694 202037248 /nfs/dbraw/zinc/03/72/48/202037248.db2.gz UQJPESRQQSLWMT-UHFFFAOYSA-N 1 0 327.388 0.792 50 0 ECAARO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000020948677 202059181 /nfs/dbraw/zinc/05/91/81/202059181.db2.gz MMDIVIFXZGCIRP-CYBMUJFWSA-N 1 0 337.395 0.990 50 0 ECAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000022937678 202095522 /nfs/dbraw/zinc/09/55/22/202095522.db2.gz CGDVPLSQLJGRCU-QGZVFWFLSA-N 1 0 330.432 0.328 50 0 ECAARO CC(=O)[C@H]1CCCN(C(=O)Cn2c3c(n(C(C)C)c2=O)C[NH2+]CC3)C1 ZINC000023542494 202105658 /nfs/dbraw/zinc/10/56/58/202105658.db2.gz JGJBTKMRYBWNKT-AWEZNQCLSA-N 1 0 348.447 0.704 50 0 ECAARO CC[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000030144642 202193802 /nfs/dbraw/zinc/19/38/02/202193802.db2.gz PGNZMZNXHNAGDS-ZDUSSCGKSA-N 1 0 333.436 0.946 50 0 ECAARO COCCNC(=O)NC(=O)C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000030267783 202194495 /nfs/dbraw/zinc/19/44/95/202194495.db2.gz BCZRKLCTWMSOFD-UHFFFAOYSA-N 1 0 341.383 0.999 50 0 ECAARO CCCn1nc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1=O ZINC000032268227 202222129 /nfs/dbraw/zinc/22/21/29/202222129.db2.gz RUEILBLPTQRLSU-CQSZACIVSA-N 1 0 336.436 0.740 50 0 ECAARO CNC(=O)NC(=O)[C@H](C)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065624433 283362003 /nfs/dbraw/zinc/36/20/03/283362003.db2.gz CNZZINMNRFMICJ-MCIONIFRSA-N 1 0 340.468 0.652 50 0 ECAARO COc1ccc(COC[C@H](O)C[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000069740506 202290994 /nfs/dbraw/zinc/29/09/94/202290994.db2.gz PWNMVSHNMWBOJY-LSDHHAIUSA-N 1 0 332.404 0.769 50 0 ECAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCC(=O)N3CCOCC3)C2)nn1 ZINC000069929116 202299501 /nfs/dbraw/zinc/29/95/01/202299501.db2.gz CKUPGLNFZLYWFJ-MRXNPFEDSA-N 1 0 347.463 0.935 50 0 ECAARO CC1(C)NC(=O)N(CC[NH2+]C[C@H]2CCCN2c2cccnn2)C1=O ZINC000071859903 202355770 /nfs/dbraw/zinc/35/57/70/202355770.db2.gz FQPDGDMEARKVRJ-GFCCVEGCSA-N 1 0 332.408 0.365 50 0 ECAARO Cc1nc([C@H]2CCC[N@H+](CCC(N)=O)C2)cc(N2CCOCC2)n1 ZINC000072433491 216228553 /nfs/dbraw/zinc/22/85/53/216228553.db2.gz CGSWERDOVYMKJO-AWEZNQCLSA-N 1 0 333.436 0.676 50 0 ECAARO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CC[C@H]21 ZINC000072432505 216226739 /nfs/dbraw/zinc/22/67/39/216226739.db2.gz URNBCGXPUXHPGE-XJKSGUPXSA-N 1 0 341.415 0.975 50 0 ECAARO C[N@@H+]1CCN(CCNC(=O)Cn2cccn2)[C@@H](c2ccccc2)C1 ZINC000229301341 201041443 /nfs/dbraw/zinc/04/14/43/201041443.db2.gz MBCVVXIZOKGJKK-QGZVFWFLSA-N 1 0 327.432 0.988 50 0 ECAARO NC(=O)c1cnn2c1NC[C@@H](C[NH2+]CCC(=O)NC1CCCCC1)C2 ZINC000071888680 201170562 /nfs/dbraw/zinc/17/05/62/201170562.db2.gz OFWRUQXPEZZAPS-GFCCVEGCSA-N 1 0 348.451 0.452 50 0 ECAARO Cc1nc(NC(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)nn1C(C)C ZINC000023478562 212380239 /nfs/dbraw/zinc/38/02/39/212380239.db2.gz RQPSFJCEFBKYHO-LBPRGKRZSA-N 1 0 337.428 0.486 50 0 ECAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000216270159 241178819 /nfs/dbraw/zinc/17/88/19/241178819.db2.gz DCAMFPLLLCWXIY-UHFFFAOYSA-N 1 0 328.372 0.141 50 0 ECAARO O=c1[nH]nc2c(N3CC[C@@H]([NH2+]Cc4ccc(F)cc4)C3)nccn12 ZINC000067350111 202912040 /nfs/dbraw/zinc/91/20/40/202912040.db2.gz QYJMMUICADIECR-CYBMUJFWSA-N 1 0 328.351 0.925 50 0 ECAARO CCOc1cc(C)nc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000069630213 203030232 /nfs/dbraw/zinc/03/02/32/203030232.db2.gz FRRHJPCOBJAQIY-OAHLLOKOSA-N 1 0 346.435 0.563 50 0 ECAARO C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000069738447 203041889 /nfs/dbraw/zinc/04/18/89/203041889.db2.gz DIBJKSBMBZZDBP-WMZOPIPTSA-N 1 0 346.475 0.819 50 0 ECAARO O[C@@H](CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1)c1ccccc1 ZINC000069776642 203048535 /nfs/dbraw/zinc/04/85/35/203048535.db2.gz PFYGFCMSKQYITI-ROUUACIJSA-N 1 0 330.432 0.595 50 0 ECAARO Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H]1[C@@H]([NH3+])[C@@H]2C=C[C@H]1O2 ZINC000252478166 243759698 /nfs/dbraw/zinc/75/96/98/243759698.db2.gz AFAAIBPWUJBOSC-DMWPJOQESA-N 1 0 330.310 0.607 50 0 ECAARO Cc1cnn(CC[NH2+]CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 ZINC000069951952 203066791 /nfs/dbraw/zinc/06/67/91/203066791.db2.gz LEJHFKKFUWYUPX-HNNXBMFYSA-N 1 0 343.387 0.061 50 0 ECAARO COCC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000070020321 203071596 /nfs/dbraw/zinc/07/15/96/203071596.db2.gz CHWRFNUOWMEWBN-UHFFFAOYSA-N 1 0 341.477 0.537 50 0 ECAARO Cn1cnc2c1c(=O)n(CCC[N@H+](C)C[C@@H]1CCCCO1)c(=O)n2C ZINC000071828200 203121865 /nfs/dbraw/zinc/12/18/65/203121865.db2.gz CONVTQRVZWESNU-ZDUSSCGKSA-N 1 0 349.435 0.325 50 0 ECAARO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071841788 203126675 /nfs/dbraw/zinc/12/66/75/203126675.db2.gz OMIHSAAIJKMBAY-ZDUSSCGKSA-N 1 0 342.399 0.387 50 0 ECAARO C[NH+](C)C[C@]1(O)CCN(C(=O)C(C)(C)NC(=O)c2cccs2)C1 ZINC000072132153 203166982 /nfs/dbraw/zinc/16/69/82/203166982.db2.gz WHVOKQUFOSNUFP-MRXNPFEDSA-N 1 0 339.461 0.782 50 0 ECAARO CN1CC(=O)N(c2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)C1=O ZINC000072161497 203175967 /nfs/dbraw/zinc/17/59/67/203175967.db2.gz PCYPLNYODDDQMM-LBPRGKRZSA-N 1 0 332.360 0.402 50 0 ECAARO CCOc1ccc(CN2CC[NH2+][C@H](C(=O)NC3CC3)C2)cc1CO ZINC000072162949 203177819 /nfs/dbraw/zinc/17/78/19/203177819.db2.gz HULQTRQDNQCCPO-INIZCTEOSA-N 1 0 333.432 0.630 50 0 ECAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCCN(Cc2cccnc2)CC1 ZINC000072481654 203233285 /nfs/dbraw/zinc/23/32/85/203233285.db2.gz FGYXRUDKNKWOKQ-KRWDZBQOSA-N 1 0 332.448 0.573 50 0 ECAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(CO)o3)CC[C@H]21 ZINC000072462592 203228113 /nfs/dbraw/zinc/22/81/13/203228113.db2.gz GPKLMFKXNTYTCD-GXTWGEPZSA-N 1 0 335.404 0.444 50 0 ECAARO O=C(CCn1cnnn1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072407894 203216464 /nfs/dbraw/zinc/21/64/64/203216464.db2.gz YLQDDWPBSUNWTK-QGZVFWFLSA-N 1 0 340.431 0.765 50 0 ECAARO Cc1nc2c(c(NCC3(CN4CCOCC4)CC3)n1)CC[NH2+]CC2 ZINC000072423283 203219728 /nfs/dbraw/zinc/21/97/28/203219728.db2.gz BITUUDPCDOTVAI-UHFFFAOYSA-N 1 0 331.464 0.998 50 0 ECAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000072423190 203219775 /nfs/dbraw/zinc/21/97/75/203219775.db2.gz VIVQPDJMORYSCO-OAHLLOKOSA-N 1 0 348.495 0.579 50 0 ECAARO CN(C)C(=O)CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000075582745 203320004 /nfs/dbraw/zinc/32/00/04/203320004.db2.gz LOWGMSRUFPEXCI-MRXNPFEDSA-N 1 0 332.448 0.938 50 0 ECAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(CC[NH3+])nn2)n1 ZINC000077376904 203383247 /nfs/dbraw/zinc/38/32/47/203383247.db2.gz LLZMOINJQRQLGS-UHFFFAOYSA-N 1 0 343.313 0.327 50 0 ECAARO Cn1ncc(N2CC[C@@H](CNC(=O)CC[NH+]3CCCCC3)C2)cc1=O ZINC000077407077 203386313 /nfs/dbraw/zinc/38/63/13/203386313.db2.gz FXWYIKSYOMUROT-HNNXBMFYSA-N 1 0 347.463 0.599 50 0 ECAARO Cc1c(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)cnn1C ZINC000077471407 203390118 /nfs/dbraw/zinc/39/01/18/203390118.db2.gz UYAMSKRTSNDWST-CQSZACIVSA-N 1 0 331.424 0.782 50 0 ECAARO O=C(NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)[C@H]1CC[NH2+]C1 ZINC000077535208 203393764 /nfs/dbraw/zinc/39/37/64/203393764.db2.gz NRPOXPMPRSQXMW-AWEZNQCLSA-N 1 0 345.447 0.641 50 0 ECAARO O=C(NCC(F)F)c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000091656088 203644414 /nfs/dbraw/zinc/64/44/14/203644414.db2.gz MLXXPEBVNAEZCC-NSHDSACASA-N 1 0 347.387 0.712 50 0 ECAARO C[NH+](C)CCCNc1c(=O)c(=O)c1NCc1ccc2c(c1)OCO2 ZINC000101685596 204017496 /nfs/dbraw/zinc/01/74/96/204017496.db2.gz CKRUHPHWYSIDRI-UHFFFAOYSA-N 1 0 331.372 0.987 50 0 ECAARO Cc1cccc(C)c1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC000010111569 211148686 /nfs/dbraw/zinc/14/86/86/211148686.db2.gz FEOIQRMMXLGXOS-UHFFFAOYSA-N 1 0 327.450 0.747 50 0 ECAARO C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCC[NH+](C)C)cc2)C1=O ZINC000012021067 207063117 /nfs/dbraw/zinc/06/31/17/207063117.db2.gz ILOGSTFMBQSZDN-LLVKDONJSA-N 1 0 339.417 0.291 50 0 ECAARO CNC(=O)C1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000012334812 207103531 /nfs/dbraw/zinc/10/35/31/207103531.db2.gz AJRXAMYBBXGWLC-UHFFFAOYSA-N 1 0 346.431 0.861 50 0 ECAARO COCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000035421775 284976525 /nfs/dbraw/zinc/97/65/25/284976525.db2.gz LLNPDZCRBIPYIY-UHFFFAOYSA-N 1 0 333.432 0.906 50 0 ECAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NC[C@H](O)c3ccccn3)nn2)CC1 ZINC000243893009 258000556 /nfs/dbraw/zinc/00/05/56/258000556.db2.gz ANKLWJYSASGSGQ-ZOWXZIJZSA-N 1 0 330.392 0.579 50 0 ECAARO Cc1c(Cl)c(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)nn1C ZINC000299776990 258087181 /nfs/dbraw/zinc/08/71/81/258087181.db2.gz GPAWJZHXYHTIDV-JTQLQIEISA-N 1 0 327.816 0.309 50 0 ECAARO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000299784310 258091610 /nfs/dbraw/zinc/09/16/10/258091610.db2.gz OWMPIKMWCRYBKT-KRWDZBQOSA-N 1 0 347.463 0.980 50 0 ECAARO Cn1c(=O)cc(C(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)n(C)c1=O ZINC000299799955 258103745 /nfs/dbraw/zinc/10/37/45/258103745.db2.gz YACOZJBIYDQVDB-AWEZNQCLSA-N 1 0 344.415 0.507 50 0 ECAARO Cc1cccc2ncc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c(=O)n12 ZINC000299755772 258074505 /nfs/dbraw/zinc/07/45/05/258074505.db2.gz CSRTVXTZCSBBDP-GJZGRUSLSA-N 1 0 342.399 0.596 50 0 ECAARO COc1ccc(N2C[C@H](C(=O)N(C)[C@@H]3CC[NH2+]C3)CC2=O)c(OC)c1 ZINC000262585360 286325816 /nfs/dbraw/zinc/32/58/16/286325816.db2.gz USFARLPEDRLPKT-CHWSQXEVSA-N 1 0 347.415 0.877 50 0 ECAARO O=C(N1CCC[C@H](N2CCNCC2=O)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262420105 263177066 /nfs/dbraw/zinc/17/70/66/263177066.db2.gz RRJDWSAGFPZKDZ-RLFYNMQTSA-N 1 0 334.464 0.189 50 0 ECAARO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(N4CCNC4=O)cc3)[C@H]2C1 ZINC000285942102 264353287 /nfs/dbraw/zinc/35/32/87/264353287.db2.gz VRTRGCXAQIVGPD-JKSUJKDBSA-N 1 0 344.415 0.761 50 0 ECAARO CCc1ccc([C@H](C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1 ZINC000022777176 276691438 /nfs/dbraw/zinc/69/14/38/276691438.db2.gz JUUKZGFBURZPJG-PMPSAXMXSA-N 1 0 326.462 0.599 50 0 ECAARO CC(=O)Nc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)cc1 ZINC000067539880 278192821 /nfs/dbraw/zinc/19/28/21/278192821.db2.gz FWALHROEJFXHTA-HIFRSBDPSA-N 1 0 332.404 0.711 50 0 ECAARO Cn1ccnc1[C@@](O)(CCNC(=O)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000153175345 294425281 /nfs/dbraw/zinc/42/52/81/294425281.db2.gz RBPGOEKCTHFDFI-MFKMUULPSA-N 1 0 334.342 0.676 50 0 ECAARO C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC3(CCOCC3)C2)CC1=O ZINC000365695187 300472990 /nfs/dbraw/zinc/47/29/90/300472990.db2.gz IMMMLEAEJNRSCA-HNNXBMFYSA-N 1 0 337.464 0.816 50 0 ECAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cccc(Br)c1 ZINC000002437193 435963887 /nfs/dbraw/zinc/96/38/87/435963887.db2.gz CZBPDPUYWHFHLH-UHFFFAOYSA-N 1 0 340.181 0.934 50 0 ECAARO COCCn1c(CN2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002436718 435965578 /nfs/dbraw/zinc/96/55/78/435965578.db2.gz ZXNXNHOBKPKQSY-GFCCVEGCSA-N 1 0 349.435 0.312 50 0 ECAARO C[NH+](C)CCCNC(=S)NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000003504216 435974719 /nfs/dbraw/zinc/97/47/19/435974719.db2.gz NDKMEOOVVDJISS-MRXNPFEDSA-N 1 0 349.460 0.784 50 0 ECAARO Cc1ccc(S(=O)(=O)NCCNC(=O)C[NH+]2CCCC2)cc1 ZINC000004100187 435976809 /nfs/dbraw/zinc/97/68/09/435976809.db2.gz QNNDILQRSDVOON-UHFFFAOYSA-N 1 0 325.434 0.485 50 0 ECAARO C[NH+](C)CC(C)(C)CNCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000006023068 435994876 /nfs/dbraw/zinc/99/48/76/435994876.db2.gz DCYQGAIUCUXGJE-UHFFFAOYSA-N 1 0 342.465 0.450 50 0 ECAARO CCOC(=O)NCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069937318 435977737 /nfs/dbraw/zinc/97/77/37/435977737.db2.gz FOKOFHJRHWNPGZ-CQSZACIVSA-N 1 0 342.440 0.486 50 0 ECAARO CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069951964 435978845 /nfs/dbraw/zinc/97/88/45/435978845.db2.gz VNVMYDGQFQMDMY-LSDHHAIUSA-N 1 0 325.453 0.549 50 0 ECAARO Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000070013209 435983182 /nfs/dbraw/zinc/98/31/82/435983182.db2.gz LELWMEYGENSNLK-ZDUSSCGKSA-N 1 0 336.411 0.825 50 0 ECAARO O=C1c2cccc3c(N4CC[NH2+]CC4)ccc(c23)C(=O)N1CCO ZINC000005344595 435989680 /nfs/dbraw/zinc/98/96/80/435989680.db2.gz FQBCJEPRTORROZ-UHFFFAOYSA-N 1 0 325.368 0.838 50 0 ECAARO CC[NH+](CC)CCn1ncc(N2CCN(C)CC2)c(Cl)c1=O ZINC000005952405 435993709 /nfs/dbraw/zinc/99/37/09/435993709.db2.gz UVQKZSIWFUYKHM-UHFFFAOYSA-N 1 0 327.860 0.990 50 0 ECAARO C[NH+](C)CCCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000000485754 435956579 /nfs/dbraw/zinc/95/65/79/435956579.db2.gz NXYXPYNRHMYNHQ-UHFFFAOYSA-N 1 0 327.388 0.886 50 0 ECAARO COC[C@@H](C)NC(=O)C1CCN(c2nc(C)nc3c2CC[NH2+]C3)CC1 ZINC000071589409 436006814 /nfs/dbraw/zinc/00/68/14/436006814.db2.gz MKIJSCNSTWUKPE-GFCCVEGCSA-N 1 0 347.463 0.798 50 0 ECAARO Cc1nc(CN2CCC[C@@H]([N@H+](C)CCCNS(C)(=O)=O)C2)no1 ZINC000071870534 436022073 /nfs/dbraw/zinc/02/20/73/436022073.db2.gz XUXYBZRWEVHSHY-CYBMUJFWSA-N 1 0 345.469 0.214 50 0 ECAARO C[NH+](C)CCNC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O ZINC000009418490 436033886 /nfs/dbraw/zinc/03/38/86/436033886.db2.gz MHTTUTISNWEJMD-UHFFFAOYSA-N 1 0 346.431 0.928 50 0 ECAARO C[NH2+]CCNC(=O)C1(N2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000072165467 436034658 /nfs/dbraw/zinc/03/46/58/436034658.db2.gz 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CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000072481172 203233577 /nfs/dbraw/zinc/23/35/77/203233577.db2.gz WNCGIBMHWOHDBG-UHFFFAOYSA-N 1 0 325.376 0.695 50 0 ECAARO CC1CC[NH+](CC(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000077377039 203383881 /nfs/dbraw/zinc/38/38/81/203383881.db2.gz XPUSQHCFGSFVDS-OAHLLOKOSA-N 1 0 347.463 0.455 50 0 ECAARO O=c1[nH]c2ccccc2n1C1CCN(C[C@@]2(O)C[NH2+]CCOC2)CC1 ZINC000077357547 203383935 /nfs/dbraw/zinc/38/39/35/203383935.db2.gz ANYXBISJSCONCP-SFHVURJKSA-N 1 0 346.431 0.317 50 0 ECAARO CCc1nc2c(ncnc2N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077344076 203380854 /nfs/dbraw/zinc/38/08/54/203380854.db2.gz JUEWICAUJQPFDX-QGZVFWFLSA-N 1 0 347.419 0.844 50 0 ECAARO C[C@@H](C(=O)NCc1ccccc1)N1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000077378047 203384914 /nfs/dbraw/zinc/38/49/14/203384914.db2.gz MXRSQRFAERKQIW-LBPRGKRZSA-N 1 0 330.388 0.365 50 0 ECAARO O=C(c1ncoc1C1CC1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077421938 203386828 /nfs/dbraw/zinc/38/68/28/203386828.db2.gz ILOKWPCJKWYEMQ-KRWDZBQOSA-N 1 0 335.404 0.851 50 0 ECAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccn(CC)c(=O)c1 ZINC000077520102 203393383 /nfs/dbraw/zinc/39/33/83/203393383.db2.gz DFDIBJUERJRIPU-KBPBESRZSA-N 1 0 334.420 0.278 50 0 ECAARO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077524888 203394012 /nfs/dbraw/zinc/39/40/12/203394012.db2.gz WQFSJOFYTHIHJI-AWEZNQCLSA-N 1 0 348.447 0.639 50 0 ECAARO CC1(C)SC[C@H](C(=O)NCc2cc3n(n2)CCC[NH2+]C3)NC1=O ZINC000097532508 203949453 /nfs/dbraw/zinc/94/94/53/203949453.db2.gz ZAUQXRVNUGJILE-GFCCVEGCSA-N 1 0 337.449 0.003 50 0 ECAARO C[NH+](C)CCCNc1c(=O)c(=O)c1N[C@@H](CO)Cc1ccccc1 ZINC000101676112 204017647 /nfs/dbraw/zinc/01/76/47/204017647.db2.gz YIMWSJOSUWLYLE-CQSZACIVSA-N 1 0 331.416 0.662 50 0 ECAARO O=C(c1c[nH]c2ncnn2c1=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000102533661 296166223 /nfs/dbraw/zinc/16/62/23/296166223.db2.gz LBMOIOKOFUIDLH-CYBMUJFWSA-N 1 0 344.419 0.756 50 0 ECAARO CCCC[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000044891742 204309114 /nfs/dbraw/zinc/30/91/14/204309114.db2.gz KZDPNQDPKCMRTN-UHFFFAOYSA-N 1 0 325.434 0.955 50 0 ECAARO CC1CC[NH+](CCNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000046957939 204336908 /nfs/dbraw/zinc/33/69/08/204336908.db2.gz VZKRHXLICXZHGL-UHFFFAOYSA-N 1 0 331.482 0.506 50 0 ECAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000037799901 204352271 /nfs/dbraw/zinc/35/22/71/204352271.db2.gz XVVJNCHLDJHRAA-JQWIXIFHSA-N 1 0 329.853 0.769 50 0 ECAARO CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)Cc2ccc(O)cc2)C[C@@H]1CO ZINC000091461377 218009907 /nfs/dbraw/zinc/00/99/07/218009907.db2.gz XDCDFKGUJCAHCO-IAGOWNOFSA-N 1 0 349.475 0.495 50 0 ECAARO C[NH+](C)CCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 ZINC000012234243 207082267 /nfs/dbraw/zinc/08/22/67/207082267.db2.gz PINJPDOTYJUTCS-UHFFFAOYSA-N 1 0 346.366 0.221 50 0 ECAARO Cn1ccnc1SCCNC(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426413001 254786160 /nfs/dbraw/zinc/78/61/60/254786160.db2.gz RLJYTLSVMCTTOO-CYBMUJFWSA-N 1 0 348.476 0.992 50 0 ECAARO Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCC[N@@H+](C3CCCC3)CC1)CC2 ZINC000299777199 258087011 /nfs/dbraw/zinc/08/70/11/258087011.db2.gz KAFXVEPVQHQQPI-AWEZNQCLSA-N 1 0 347.463 0.621 50 0 ECAARO OCCOc1cccc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299777821 258087801 /nfs/dbraw/zinc/08/78/01/258087801.db2.gz OSDLFUXXYJOYMW-DLBZAZTESA-N 1 0 330.388 0.995 50 0 ECAARO Cn1cnnc1SCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299799455 258102985 /nfs/dbraw/zinc/10/29/85/258102985.db2.gz RIPCKGACVFACLX-CYBMUJFWSA-N 1 0 339.465 0.667 50 0 ECAARO C[NH+]1CCC(N2CCN(Cc3cccc(OCC(N)=O)c3)CC2)CC1 ZINC000216026369 258072231 /nfs/dbraw/zinc/07/22/31/258072231.db2.gz DDGQQZOKMBGESS-UHFFFAOYSA-N 1 0 346.475 0.763 50 0 ECAARO C[NH+]1CCN(c2cc(CNC(=O)c3ccc[nH]c3=O)ccn2)CC1 ZINC000056792515 132197878 /nfs/dbraw/zinc/19/78/78/132197878.db2.gz NDBZKHAKKRZLFF-UHFFFAOYSA-N 1 0 327.388 0.452 50 0 ECAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000238099003 165103129 /nfs/dbraw/zinc/10/31/29/165103129.db2.gz SHWVCDWAWFRVMD-KBPBESRZSA-N 1 0 337.807 0.234 50 0 ECAARO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000245400189 165104894 /nfs/dbraw/zinc/10/48/94/165104894.db2.gz BPUJENPFEWMECC-GJZGRUSLSA-N 1 0 328.453 0.876 50 0 ECAARO CNS(=O)(=O)c1csc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000122222727 222040572 /nfs/dbraw/zinc/04/05/72/222040572.db2.gz UYCCVMZQXKXRIM-KOLCDFICSA-N 1 0 331.463 0.998 50 0 ECAARO CS(=O)(=O)c1ccccc1-n1cc(C(=O)N2CCC[C@@H]2C[NH3+])cn1 ZINC000299739480 278121051 /nfs/dbraw/zinc/12/10/51/278121051.db2.gz OXNCYTVBRYFZQF-CYBMUJFWSA-N 1 0 348.428 0.839 50 0 ECAARO Cc1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c(=O)n(C)c1C ZINC000426548910 280363636 /nfs/dbraw/zinc/36/36/36/280363636.db2.gz XDIPIJDJWMNVLV-HOTGVXAUSA-N 1 0 333.432 0.985 50 0 ECAARO C[C@H](CCN1CCCC1=O)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000095416666 289481612 /nfs/dbraw/zinc/48/16/12/289481612.db2.gz OEKAZFBPAKCLTH-OAHLLOKOSA-N 1 0 346.479 0.719 50 0 ECAARO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000332981639 297096548 /nfs/dbraw/zinc/09/65/48/297096548.db2.gz OBUZQLGZAUZDJO-XUWVNRHRSA-N 1 0 341.452 0.685 50 0 ECAARO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@@H]1c1ccccc1 ZINC000002323653 435966149 /nfs/dbraw/zinc/96/61/49/435966149.db2.gz DFMGFUKBAFQTGG-ZIAGYGMSSA-N 1 0 331.372 0.725 50 0 ECAARO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2[C@@H]2COC(C)(C)O2)cc1OC ZINC000005482280 435989171 /nfs/dbraw/zinc/98/91/71/435989171.db2.gz GKNFGWIRAORKFH-SOUVJXGZSA-N 1 0 336.388 0.893 50 0 ECAARO CC(=O)N1CCN(CC[NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000071825220 436014294 /nfs/dbraw/zinc/01/42/94/436014294.db2.gz MCKOUKVADNZDNG-UHFFFAOYSA-N 1 0 342.447 0.736 50 0 ECAARO O=C(Cn1nnc2ccccc21)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072268982 436037186 /nfs/dbraw/zinc/03/71/86/436037186.db2.gz YVVNGPYRGWFPTM-HZPDHXFCSA-N 1 0 329.404 0.489 50 0 ECAARO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269284 436038375 /nfs/dbraw/zinc/03/83/75/436038375.db2.gz FLOWVGFGJRDETF-HUUCEWRRSA-N 1 0 342.399 0.594 50 0 ECAARO CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@H]2CCCN2c2cccnn2)CC1 ZINC000072276703 436038585 /nfs/dbraw/zinc/03/85/85/436038585.db2.gz OAZPWNYNSTYAKG-HZPDHXFCSA-N 1 0 346.479 0.588 50 0 ECAARO C[C@]1([C@H]2CCC[N@H+](CC(=O)NCc3ccccc3)C2)NC(=O)NC1=O ZINC000072300707 436041391 /nfs/dbraw/zinc/04/13/91/436041391.db2.gz DHQNGBNXJQABCL-KBXCAEBGSA-N 1 0 344.415 0.613 50 0 ECAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1)c1ccco1 ZINC000072300672 436042171 /nfs/dbraw/zinc/04/21/71/436042171.db2.gz MLIJFGBHRYPIKM-NVGCLXPQSA-N 1 0 348.403 0.767 50 0 ECAARO CN1N=C(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)CCC1=O ZINC000012075607 436047175 /nfs/dbraw/zinc/04/71/75/436047175.db2.gz HQUACAGUKXQZJK-ZDUSSCGKSA-N 1 0 335.452 0.269 50 0 ECAARO CN(CCc1cn[nH]c1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000011873428 436048952 /nfs/dbraw/zinc/04/89/52/436048952.db2.gz ANYUCDVJJIWGSH-OAHLLOKOSA-N 1 0 333.436 0.544 50 0 ECAARO CC[NH+]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000072590251 436049877 /nfs/dbraw/zinc/04/98/77/436049877.db2.gz MQYCAGWHARTNOA-UHFFFAOYSA-N 1 0 334.420 0.202 50 0 ECAARO CCn1ccnc1CN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000012431348 436051399 /nfs/dbraw/zinc/05/13/99/436051399.db2.gz UMPMVNYQAZGTEQ-HNNXBMFYSA-N 1 0 347.463 0.995 50 0 ECAARO CCOC(=O)c1ccc2c(c1)[n+](CCOC(C)=O)c(C)n2CCO ZINC000017138388 436100830 /nfs/dbraw/zinc/10/08/30/436100830.db2.gz VROXTACYUZUNSG-UHFFFAOYSA-N 1 0 335.380 0.969 50 0 ECAARO CC[NH+]1CCN(C2=N[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2)CC1 ZINC000013690284 436064473 /nfs/dbraw/zinc/06/44/73/436064473.db2.gz VLTXFOXCEXKHAU-OAHLLOKOSA-N 1 0 343.431 0.816 50 0 ECAARO CC[NH+]1CCN(C2=N[C@@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2)CC1 ZINC000013690285 436066044 /nfs/dbraw/zinc/06/60/44/436066044.db2.gz VLTXFOXCEXKHAU-HNNXBMFYSA-N 1 0 343.431 0.816 50 0 ECAARO CCN(CC[NH+](CC)CC)C(=O)Cn1nnnc1CN(C)C(C)C ZINC000015065057 436075484 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C[C@@H](C1CCN(C(=O)CCc2nc(N)n[nH]2)CC1)[NH+]1CCOCC1 ZINC000072418851 203219170 /nfs/dbraw/zinc/21/91/70/203219170.db2.gz VNIGFPAIOPZSQY-LBPRGKRZSA-N 1 0 336.440 0.279 50 0 ECAARO CNC(=O)CC[N@@H+]1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072422853 203219907 /nfs/dbraw/zinc/21/99/07/203219907.db2.gz NZUMHLVWHCXJAV-OAHLLOKOSA-N 1 0 347.463 0.937 50 0 ECAARO CS(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072429179 203223260 /nfs/dbraw/zinc/22/32/60/203223260.db2.gz GOGAHGHPLSHRTR-HNNXBMFYSA-N 1 0 339.461 0.359 50 0 ECAARO Cc1nn(C)cc1CNC(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000077287371 203377439 /nfs/dbraw/zinc/37/74/39/203377439.db2.gz MSVLAZUNWQHASS-AWEZNQCLSA-N 1 0 331.424 0.782 50 0 ECAARO CCC[N@H+](Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)C1CC1 ZINC000077298966 203378754 /nfs/dbraw/zinc/37/87/54/203378754.db2.gz CXHOBWPWHSZHBU-OAHLLOKOSA-N 1 0 349.431 0.895 50 0 ECAARO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2nnc(-c3cccc(F)c3)n2)C[C@H](C)O1 ZINC000106865219 204214381 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ISGCIDSIRTXKBR-UHFFFAOYSA-N 1 0 336.436 0.981 50 0 ECAARO C[C@H](O)C[N@@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000106868161 278294863 /nfs/dbraw/zinc/29/48/63/278294863.db2.gz YDIGVLOFIRDXEK-GJZGRUSLSA-N 1 0 341.477 0.352 50 0 ECAARO CCCCNC(=O)CN(C)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426360141 278702127 /nfs/dbraw/zinc/70/21/27/278702127.db2.gz URURMNLJNBQWQZ-CQSZACIVSA-N 1 0 335.452 0.725 50 0 ECAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2O)CC1 ZINC000239667670 279361844 /nfs/dbraw/zinc/36/18/44/279361844.db2.gz BRDKGNCHRNMQDG-OWCLPIDISA-N 1 0 326.485 0.863 50 0 ECAARO O=C(CCN1CC[NH2+]CC1)N1CCC2(CC1)c1ccccc1C[C@@H]2O ZINC000072161731 279751308 /nfs/dbraw/zinc/75/13/08/279751308.db2.gz LSVYJJAMYZOHLC-SFHVURJKSA-N 1 0 343.471 0.759 50 0 ECAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000072173880 279791280 /nfs/dbraw/zinc/79/12/80/279791280.db2.gz YUKKETQAGJBTAO-CYBMUJFWSA-N 1 0 344.415 0.790 50 0 ECAARO CC[C@H]1CN(CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C[C@H](C)O 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50 0 ECAARO COc1ccccc1COC[C@H](O)C[NH2+]CCCN1CCOCC1 ZINC000083980379 436376922 /nfs/dbraw/zinc/37/69/22/436376922.db2.gz IUKXRMAYHMSEAS-QGZVFWFLSA-N 1 0 338.448 0.885 50 0 ECAARO CCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000045944719 436381394 /nfs/dbraw/zinc/38/13/94/436381394.db2.gz DQJZWUDEIVPLMO-UHFFFAOYSA-N 1 0 339.461 0.909 50 0 ECAARO Cc1ccc(CNC(=O)CN2CC[NH+](C[C@@H](O)C3CC3)CC2)cc1 ZINC000085436850 436386963 /nfs/dbraw/zinc/38/69/63/436386963.db2.gz DJOFYHHSDOIPAX-GOSISDBHSA-N 1 0 331.460 1.000 50 0 ECAARO Cn1ncc2c1ncn(CCC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)c2=O ZINC000044941720 436355832 /nfs/dbraw/zinc/35/58/32/436355832.db2.gz JXGFKNPNZRAYRS-ZIAGYGMSSA-N 1 0 344.419 0.263 50 0 ECAARO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000044952673 436357547 /nfs/dbraw/zinc/35/75/47/436357547.db2.gz ZISHFQVNUNRFIP-CQSZACIVSA-N 1 0 347.481 0.029 50 0 ECAARO Cc1ccccc1CN1CCN(C(=O)C[N@@H+]2CC[C@@H](C(N)=O)C2)CC1 ZINC000048041506 436439490 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CN1c2ccccc2C2(CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)C1=O ZINC000072167898 277217139 /nfs/dbraw/zinc/21/71/39/277217139.db2.gz OCYSQSJQJYBMOB-CQSZACIVSA-N 1 0 343.427 0.902 50 0 ECAARO CC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(NC(N)=O)cc2)C1 ZINC000067895715 279395597 /nfs/dbraw/zinc/39/55/97/279395597.db2.gz PJTQVRLKZWYQKH-NSHDSACASA-N 1 0 326.422 0.797 50 0 ECAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCN1CCCCCC1=O ZINC000067755928 279598467 /nfs/dbraw/zinc/59/84/67/279598467.db2.gz XDCHRASTAVOZDX-KBPBESRZSA-N 1 0 338.452 0.232 50 0 ECAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000072437431 280012506 /nfs/dbraw/zinc/01/25/06/280012506.db2.gz YKZJAKMSQJTCEG-HUUCEWRRSA-N 1 0 345.509 0.896 50 0 ECAARO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186704192 280153486 /nfs/dbraw/zinc/15/34/86/280153486.db2.gz RDRRBXNGYSWLQI-DLBZAZTESA-N 1 0 342.443 0.124 50 0 ECAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC000069772384 288217089 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COC(=O)[C@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccccc1 ZINC000004624787 435981516 /nfs/dbraw/zinc/98/15/16/435981516.db2.gz FTQZPWXFDCZGIL-CYBMUJFWSA-N 1 0 347.400 0.764 50 0 ECAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)CC2 ZINC000070013341 435982538 /nfs/dbraw/zinc/98/25/38/435982538.db2.gz YLTHYYARGMEPLL-GFCCVEGCSA-N 1 0 329.470 0.587 50 0 ECAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000071876679 436020552 /nfs/dbraw/zinc/02/05/52/436020552.db2.gz LQHYUECAZLJLPY-AWEZNQCLSA-N 1 0 331.420 0.771 50 0 ECAARO CC(=O)NCc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000072269381 436038415 /nfs/dbraw/zinc/03/84/15/436038415.db2.gz IWMMFPBCIHLNOF-ZWKOTPCHSA-N 1 0 345.443 0.994 50 0 ECAARO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000072279635 436038547 /nfs/dbraw/zinc/03/85/47/436038547.db2.gz TXMCZWFVKPSWEN-JKSUJKDBSA-N 1 0 339.480 0.796 50 0 ECAARO Cn1nc2c(cc1=O)CN(C[C@H](O)C[N@H+](C)Cc1ccccc1)CC2 ZINC000072302243 436042007 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ECAARO O=S1(=O)C[C@H](O)[C@@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)C1 ZINC000040464765 436264716 /nfs/dbraw/zinc/26/47/16/436264716.db2.gz QGCOMHAVTVZOHF-XQQFMLRXSA-N 1 0 330.475 0.633 50 0 ECAARO CCCOc1ccc(C[NH2+]CCNC(=O)c2nonc2N)cc1OC ZINC000040744434 436265799 /nfs/dbraw/zinc/26/57/99/436265799.db2.gz FEGGLTSBRNMAGD-UHFFFAOYSA-N 1 0 349.391 0.969 50 0 ECAARO C[C@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)C[C@H]1[NH+](C)C ZINC000078895104 436282866 /nfs/dbraw/zinc/28/28/66/436282866.db2.gz BAFZGFPGBXZXPZ-XHDPSFHLSA-N 1 0 332.379 0.944 50 0 ECAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000043305249 436329580 /nfs/dbraw/zinc/32/95/80/436329580.db2.gz DIVBUGJSUFKWEY-GJZGRUSLSA-N 1 0 325.453 0.814 50 0 ECAARO O=C(CN1CCOC1=O)N1C[C@@H]2CC[N@H+](Cc3ccncc3)[C@@H]2C1 ZINC000082134908 436360735 /nfs/dbraw/zinc/36/07/35/436360735.db2.gz QYCJANJLWFWHPY-LSDHHAIUSA-N 1 0 330.388 0.567 50 0 ECAARO O=C(CN1CC[NH+](C[C@H](O)C2CC2)CC1)N1CCc2ccccc21 ZINC000085436825 436387106 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CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000089893602 436420044 /nfs/dbraw/zinc/42/00/44/436420044.db2.gz FVAFXBVYUWHSHW-AWEZNQCLSA-N 1 0 347.423 0.908 50 0 ECAARO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2C[NH2+]CCO2)C3)cc1 ZINC000096152556 436517087 /nfs/dbraw/zinc/51/70/87/436517087.db2.gz PSMLVWHZJCAJJD-MRXNPFEDSA-N 1 0 342.399 0.958 50 0 ECAARO C[C@H]1CCc2[nH]c(=O)c(C(=O)NCCCN3CC[NH+](C)CC3)cc2C1 ZINC000049551168 436468641 /nfs/dbraw/zinc/46/86/41/436468641.db2.gz PTLMOAYOKCMLDG-AWEZNQCLSA-N 1 0 346.475 0.867 50 0 ECAARO CC[NH+](CC)CCNC(=O)Cc1ccc(OCc2nnnn2C)cc1 ZINC000096191983 436521954 /nfs/dbraw/zinc/52/19/54/436521954.db2.gz TUWPCVAIKLQDOM-UHFFFAOYSA-N 1 0 346.435 0.790 50 0 ECAARO Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)n1 ZINC000095353943 436491308 /nfs/dbraw/zinc/49/13/08/436491308.db2.gz PXCHDRUMAFSPFP-GOEBONIOSA-N 1 0 347.463 0.876 50 0 ECAARO CCc1c(C)[nH+]c(N)nc1N1CCC(c2nnc(CO)n2C)CC1 ZINC000095375142 436492156 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O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(CCO)CC2)C1 ZINC000071415572 203094715 /nfs/dbraw/zinc/09/47/15/203094715.db2.gz UQPMHXYTHSYXLO-MRXNPFEDSA-N 1 0 346.475 0.867 50 0 ECAARO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H](OC)C2)cc1Cn1cncn1 ZINC000071750897 203108010 /nfs/dbraw/zinc/10/80/10/203108010.db2.gz TYTVKWLQTGVPNS-WBVHZDCISA-N 1 0 331.420 0.883 50 0 ECAARO O=C([C@@H]1CCC[NH2+]CC1)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000071752463 203108450 /nfs/dbraw/zinc/10/84/50/203108450.db2.gz IXKONELXCLRLBR-CQSZACIVSA-N 1 0 345.447 0.588 50 0 ECAARO C[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)CN1CC[NH+](C)CC1 ZINC000071972573 203155086 /nfs/dbraw/zinc/15/50/86/203155086.db2.gz CHWMSZPJAOENKO-LLVKDONJSA-N 1 0 349.888 0.235 50 0 ECAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2nc3ccccc3n2)CC1 ZINC000072145856 203169986 /nfs/dbraw/zinc/16/99/86/203169986.db2.gz KDEGOLRNIACWTL-KRWDZBQOSA-N 1 0 331.420 0.737 50 0 ECAARO C[NH+]1CCC(N(CC(=O)N2CCOCC2)Cc2cccnc2)CC1 ZINC000072164359 203177879 /nfs/dbraw/zinc/17/78/79/203177879.db2.gz 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CN1CCC([NH2+]CC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000077321816 203379914 /nfs/dbraw/zinc/37/99/14/203379914.db2.gz AXBDKHXYFNMXPV-MRXNPFEDSA-N 1 0 335.452 0.059 50 0 ECAARO [NH3+]CCn1cc(C(=O)NCCc2csc(-c3cccnc3)n2)nn1 ZINC000077427654 203388812 /nfs/dbraw/zinc/38/88/12/203388812.db2.gz XWWCYXFXCWZIRD-UHFFFAOYSA-N 1 0 343.416 0.728 50 0 ECAARO Cn1ncc(N2CC[C@@H](CNC(=O)CCC[NH+]3CCCC3)C2)cc1=O ZINC000077485485 203391287 /nfs/dbraw/zinc/39/12/87/203391287.db2.gz QWBILTOEKJUDHE-HNNXBMFYSA-N 1 0 347.463 0.599 50 0 ECAARO O=C(c1nc2ccccc2[nH]1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077490003 203391443 /nfs/dbraw/zinc/39/14/43/203391443.db2.gz BLIUKDZKVSJZIK-SFHVURJKSA-N 1 0 344.415 0.862 50 0 ECAARO CCc1c(C)[nH+]c(N)nc1N1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000095388472 203725995 /nfs/dbraw/zinc/72/59/95/203725995.db2.gz KWHGNFVUWZOXBK-NSHDSACASA-N 1 0 331.424 0.934 50 0 ECAARO O=C(c1c[nH]c2ncnn2c1=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000102791887 204050145 /nfs/dbraw/zinc/05/01/45/204050145.db2.gz 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O=C(Cn1c(=O)c2cccn2c2cccnc21)NCC[NH+]1CCCC1 ZINC000006797283 436002143 /nfs/dbraw/zinc/00/21/43/436002143.db2.gz PAXUIIZWRCHMOJ-UHFFFAOYSA-N 1 0 339.399 0.861 50 0 ECAARO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCCN1c1cccnn1 ZINC000071860034 436018603 /nfs/dbraw/zinc/01/86/03/436018603.db2.gz GFURMOPRCSPIAW-ZDUSSCGKSA-N 1 0 346.435 0.708 50 0 ECAARO CC1(C)NC(=O)N(CC[NH2+]C[C@@H]2CCCN2c2cccnn2)C1=O ZINC000071859902 436020000 /nfs/dbraw/zinc/02/00/00/436020000.db2.gz FQPDGDMEARKVRJ-LBPRGKRZSA-N 1 0 332.408 0.365 50 0 ECAARO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(=O)NC[C@@H]1CCCO1 ZINC000071877462 436024060 /nfs/dbraw/zinc/02/40/60/436024060.db2.gz MYRRSGRUDSUAFX-ZNMIVQPWSA-N 1 0 333.436 0.719 50 0 ECAARO Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000071921617 436029932 /nfs/dbraw/zinc/02/99/32/436029932.db2.gz MFPOQLWIOGQWBY-SNVBAGLBSA-N 1 0 349.888 0.296 50 0 ECAARO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C(N)=O)CC2)cc1OC ZINC000071915241 436030428 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CCn1nc(-c2ccc(C(N)=O)cc2)nc1CCN1CC[NH+](C)CC1 ZINC000096131746 436516248 /nfs/dbraw/zinc/51/62/48/436516248.db2.gz ZVGRZDBCRLNWLS-UHFFFAOYSA-N 1 0 342.447 0.854 50 0 ECAARO O=C(Nc1ccc(-n2cnnn2)cc1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000096166876 436520059 /nfs/dbraw/zinc/52/00/59/436520059.db2.gz KZUPZZBQKOIOOE-GJZGRUSLSA-N 1 0 343.391 0.647 50 0 ECAARO Cn1c(NC2CC[NH+](C3CCCC3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000095407479 436494950 /nfs/dbraw/zinc/49/49/50/436494950.db2.gz NJPJMLCGYUVDPJ-UHFFFAOYSA-N 1 0 346.435 0.779 50 0 ECAARO C[NH+](C)CCCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095479969 436496554 /nfs/dbraw/zinc/49/65/54/436496554.db2.gz OGKILQOMKLEUFM-LBPRGKRZSA-N 1 0 329.404 0.984 50 0 ECAARO CNC(=O)NC(=O)CN[C@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000095462590 436496898 /nfs/dbraw/zinc/49/68/98/436496898.db2.gz YFKRKVPWHGEMOV-OAHLLOKOSA-N 1 0 336.436 0.741 50 0 ECAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000095972579 436500978 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O=C(C[NH2+]C[C@H](c1ccccn1)N1CCOCC1)Nc1cnccn1 ZINC000065407555 436660223 /nfs/dbraw/zinc/66/02/23/436660223.db2.gz XFFGOZVCJBLIKG-OAHLLOKOSA-N 1 0 342.403 0.473 50 0 ECAARO CC(C)(C)c1csc(NC(=O)C[NH2+]CCN2CCNC2=O)n1 ZINC000065374524 436656418 /nfs/dbraw/zinc/65/64/18/436656418.db2.gz RYOIPXGATMPSHI-UHFFFAOYSA-N 1 0 325.438 0.994 50 0 ECAARO Cc1c(C(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)nnn1Cc1ccccc1 ZINC000065396767 436656754 /nfs/dbraw/zinc/65/67/54/436656754.db2.gz MSCVRBDNUQMDOF-CVEARBPZSA-N 1 0 343.431 0.772 50 0 ECAARO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000065386056 436658191 /nfs/dbraw/zinc/65/81/91/436658191.db2.gz JUKRIKCPQBHNOB-MRXNPFEDSA-N 1 0 337.464 0.957 50 0 ECAARO CCn1ccnc1CN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000195514476 436693108 /nfs/dbraw/zinc/69/31/08/436693108.db2.gz SOMIHGNKGNMTCT-UHFFFAOYSA-N 1 0 326.408 0.971 50 0 ECAARO COCCn1c(Cn2cnc(C(F)(F)F)n2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000220527307 436699332 /nfs/dbraw/zinc/69/93/32/436699332.db2.gz 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0.359 50 0 ECAARO Nc1ncc(Cl)cc1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000154072963 436770420 /nfs/dbraw/zinc/77/04/20/436770420.db2.gz YICSWXKSYDHIPX-NSHDSACASA-N 1 0 346.840 0.459 50 0 ECAARO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000069560112 436780466 /nfs/dbraw/zinc/78/04/66/436780466.db2.gz NYEABNAKTUUQLB-NEPJUHHUSA-N 1 0 340.387 0.556 50 0 ECAARO CC(C)[C@@H](C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[NH+](C)C ZINC000126818440 436793053 /nfs/dbraw/zinc/79/30/53/436793053.db2.gz DNCLBXXLSODLSN-HNNXBMFYSA-N 1 0 337.424 0.267 50 0 ECAARO C[C@@H](NC(=O)CN1CCOCC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279784307 436840130 /nfs/dbraw/zinc/84/01/30/436840130.db2.gz HSAHDKIYRZGSSP-WBVHZDCISA-N 1 0 345.443 0.872 50 0 ECAARO C[N@@H+]1CC[C@@H]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000253417134 436843494 /nfs/dbraw/zinc/84/34/94/436843494.db2.gz UYVQUWXHIAJUBN-CZUORRHYSA-N 1 0 339.461 0.739 50 0 ECAARO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CN1CCOCC1=O ZINC000253431392 436846477 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CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000079050344 217181897 /nfs/dbraw/zinc/18/18/97/217181897.db2.gz YPFIBHFFBDGNDA-ZDUSSCGKSA-N 1 0 345.447 0.860 50 0 ECAARO CCc1nccn1CCCNC(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000011935328 211271818 /nfs/dbraw/zinc/27/18/18/211271818.db2.gz JDYSUJPSRCSNEO-OAHLLOKOSA-N 1 0 349.479 0.752 50 0 ECAARO Cn1c(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)cc2ccccc21 ZINC000091724332 218053921 /nfs/dbraw/zinc/05/39/21/218053921.db2.gz DAHBCYAVBNAPBB-HZPDHXFCSA-N 1 0 345.443 0.783 50 0 ECAARO Cc1nccn1Cc1nnc(C2CCN(C(=O)C(C)(C)[NH3+])CC2)n1C ZINC000091914876 218088172 /nfs/dbraw/zinc/08/81/72/218088172.db2.gz PRKSATBNHVRORU-UHFFFAOYSA-N 1 0 345.451 0.812 50 0 ECAARO COCc1noc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000092002110 218101853 /nfs/dbraw/zinc/10/18/53/218101853.db2.gz ASIKNNOOHNJEKK-MRXNPFEDSA-N 1 0 337.424 0.345 50 0 ECAARO Cc1cccc(NC(=O)C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)n1 ZINC000095422774 218364807 /nfs/dbraw/zinc/36/48/07/218364807.db2.gz IHEDVSKBYVGQPU-UHFFFAOYSA-N 1 0 340.449 0.684 50 0 ECAARO C[NH+](C)CCN1CCCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000095444870 218388673 /nfs/dbraw/zinc/38/86/73/218388673.db2.gz MNKYUKASEGDDBP-UHFFFAOYSA-N 1 0 342.447 0.977 50 0 ECAARO COc1ccccc1[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1noc(C)n1 ZINC000187783877 532980400 /nfs/dbraw/zinc/98/04/00/532980400.db2.gz IJRBRFLPRWGPMD-ZIAGYGMSSA-N 1 0 332.360 0.581 50 0 ECAARO O=S(=O)(NCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000069894838 285040159 /nfs/dbraw/zinc/04/01/59/285040159.db2.gz FCCDONNNIRHFGO-OAHLLOKOSA-N 1 0 349.460 0.969 50 0 ECAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000426593877 254788867 /nfs/dbraw/zinc/78/88/67/254788867.db2.gz USVOBAYZYUIXNA-QGZVFWFLSA-N 1 0 347.419 0.898 50 0 ECAARO COc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)ccc1OCC[NH3+] ZINC000426746104 254790087 /nfs/dbraw/zinc/79/00/87/254790087.db2.gz NGZLDTZEDQDNHR-GFCCVEGCSA-N 1 0 335.360 0.309 50 0 ECAARO C=Cn1cc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 ZINC000328588964 258044833 /nfs/dbraw/zinc/04/48/33/258044833.db2.gz ZJVIOICWEVUHJN-OAHLLOKOSA-N 1 0 340.449 0.610 50 0 ECAARO NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(OCCC[NH3+])cc2)C1 ZINC000299775437 258086085 /nfs/dbraw/zinc/08/60/85/258086085.db2.gz JJDANZREJJYTRM-LBPRGKRZSA-N 1 0 341.433 0.165 50 0 ECAARO CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(OC)c1OCCC[NH3+] ZINC000299802266 258105015 /nfs/dbraw/zinc/10/50/15/258105015.db2.gz ZQGRFRYEZKJAHG-CYBMUJFWSA-N 1 0 335.404 0.773 50 0 ECAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)CCn2cnnn2)C1 ZINC000299803156 258105947 /nfs/dbraw/zinc/10/59/47/258105947.db2.gz YMCJWGWYHSEADC-HNNXBMFYSA-N 1 0 328.420 0.977 50 0 ECAARO Cc1cc(C)n(CCC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c(=O)n1 ZINC000055061036 258060997 /nfs/dbraw/zinc/06/09/97/258060997.db2.gz HWEXWCVRYKNTCJ-HOTGVXAUSA-N 1 0 348.447 0.308 50 0 ECAARO Cc1n[nH]c(C)c1CC(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000299756255 258075016 /nfs/dbraw/zinc/07/50/16/258075016.db2.gz FLPSMDOXYRUISH-QGZVFWFLSA-N 1 0 331.464 0.807 50 0 ECAARO O=C(CC[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)NCc1ccco1 ZINC000299761781 258078324 /nfs/dbraw/zinc/07/83/24/258078324.db2.gz NOWGKAFAGVUSAX-LSDHHAIUSA-N 1 0 331.376 0.723 50 0 ECAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H](C)C(=O)OC)cnn2c1 ZINC000067691662 273639658 /nfs/dbraw/zinc/63/96/58/273639658.db2.gz RGXBHYZRZZFOML-NSHDSACASA-N 1 0 333.392 0.862 50 0 ECAARO CCN(CC)C1=NC(=O)C2(CC[NH+](C3CCN(C(C)=O)CC3)CC2)N1 ZINC000063856138 276092964 /nfs/dbraw/zinc/09/29/64/276092964.db2.gz ZZDMLLHVSYAMFO-UHFFFAOYSA-N 1 0 349.479 0.660 50 0 ECAARO CC(C)(C)c1ncc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c(=O)[nH]1 ZINC000091725181 277275221 /nfs/dbraw/zinc/27/52/21/277275221.db2.gz KKWGMBBUGVKTJK-KBPBESRZSA-N 1 0 348.447 0.739 50 0 ECAARO CC1(C)CC(NC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC(C)(C)[NH2+]1 ZINC000426536596 278190516 /nfs/dbraw/zinc/19/05/16/278190516.db2.gz ZXNSWJXZRMGGNI-LLVKDONJSA-N 1 0 349.435 0.026 50 0 ECAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-n2cnnc2)n1 ZINC000097495413 289140511 /nfs/dbraw/zinc/14/05/11/289140511.db2.gz OVCTYIZHUMGRJJ-AWEZNQCLSA-N 1 0 344.419 0.845 50 0 ECAARO CN(CCNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1)S(C)(=O)=O ZINC000095363652 289673427 /nfs/dbraw/zinc/67/34/27/289673427.db2.gz FUSXIMXWDIVPRD-OAHLLOKOSA-N 1 0 339.461 0.775 50 0 ECAARO COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069740504 435962373 /nfs/dbraw/zinc/96/23/73/435962373.db2.gz PWNMVSHNMWBOJY-HUUCEWRRSA-N 1 0 332.404 0.769 50 0 ECAARO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]C[C@H](O)CO ZINC000002075302 435962417 /nfs/dbraw/zinc/96/24/17/435962417.db2.gz OMFSXGNBRWMILL-JTQLQIEISA-N 1 0 330.406 0.423 50 0 ECAARO COC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000069770267 435964181 /nfs/dbraw/zinc/96/41/81/435964181.db2.gz FAYYZSXWRLRIFA-AAEUAGOBSA-N 1 0 333.388 0.998 50 0 ECAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)no1 ZINC000069776801 435964479 /nfs/dbraw/zinc/96/44/79/435964479.db2.gz LQBGGLSDSFRJRA-LBPRGKRZSA-N 1 0 334.380 0.867 50 0 ECAARO COC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000069770270 435965656 /nfs/dbraw/zinc/96/56/56/435965656.db2.gz FAYYZSXWRLRIFA-DGCLKSJQSA-N 1 0 333.388 0.998 50 0 ECAARO CC[NH+]1CCC(NC(=O)CN2CCN(CCOC)[C@H](C)C2)CC1 ZINC000069844787 435969357 /nfs/dbraw/zinc/96/93/57/435969357.db2.gz NLSHXYRYRIYAJH-OAHLLOKOSA-N 1 0 326.485 0.239 50 0 ECAARO CCc1nc(CN2CCC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)no1 ZINC000069894793 435973158 /nfs/dbraw/zinc/97/31/58/435973158.db2.gz IBIRTJRLGWZXEB-KGLIPLIRSA-N 1 0 334.424 0.444 50 0 ECAARO COCCn1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1=O ZINC000069976159 435979822 /nfs/dbraw/zinc/97/98/22/435979822.db2.gz XBMSUACYDSRSOR-UHFFFAOYSA-N 1 0 337.420 0.023 50 0 ECAARO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cn2nc(C)cc2C)CC1 ZINC000070005737 435983055 /nfs/dbraw/zinc/98/30/55/435983055.db2.gz HRLKRMVLUYTSAK-QGZVFWFLSA-N 1 0 347.463 0.655 50 0 ECAARO OCC(CO)(CO)[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000005673424 435991229 /nfs/dbraw/zinc/99/12/29/435991229.db2.gz NITRARYPSWRKTI-CQSZACIVSA-N 1 0 344.411 0.461 50 0 ECAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-n2cnnn2)c1 ZINC000069587957 435950194 /nfs/dbraw/zinc/95/01/94/435950194.db2.gz FUFKYMDZOKEVHU-MRXNPFEDSA-N 1 0 344.419 0.845 50 0 ECAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)n1 ZINC000069624628 435950387 /nfs/dbraw/zinc/95/03/87/435950387.db2.gz AWZIIFIOPHDNSM-CYBMUJFWSA-N 1 0 334.424 0.690 50 0 ECAARO CCOc1ccnc(N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)n1 ZINC000069655072 435954680 /nfs/dbraw/zinc/95/46/80/435954680.db2.gz PSYXFRZFIVPHSU-AWEZNQCLSA-N 1 0 332.408 0.255 50 0 ECAARO CC(C)(C[NH2+]Cc1cnc(N2CCOCC2)nc1)N1CCOCC1 ZINC000069645801 435955104 /nfs/dbraw/zinc/95/51/04/435955104.db2.gz HOFZZDVDYIYCNF-UHFFFAOYSA-N 1 0 335.452 0.514 50 0 ECAARO CCCc1n[nH]cc1C(=O)N1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000071639149 436007749 /nfs/dbraw/zinc/00/77/49/436007749.db2.gz LJYCSCKJEPKZHI-HZPDHXFCSA-N 1 0 336.436 0.394 50 0 ECAARO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000071422383 436008104 /nfs/dbraw/zinc/00/81/04/436008104.db2.gz IFAXBAIFOUHVKE-LLVKDONJSA-N 1 0 329.422 0.381 50 0 ECAARO [NH3+]CCn1cc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)nn1 ZINC000071715083 436011062 /nfs/dbraw/zinc/01/10/62/436011062.db2.gz VKGGLWWEWWTJKG-AWEZNQCLSA-N 1 0 333.367 0.460 50 0 ECAARO CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000071856696 436018178 /nfs/dbraw/zinc/01/81/78/436018178.db2.gz DGNMPNTZJMXLGQ-CHWSQXEVSA-N 1 0 342.440 0.674 50 0 ECAARO CCc1c(C)cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(=O)n1C ZINC000072126725 436034793 /nfs/dbraw/zinc/03/47/93/436034793.db2.gz FLIKKMUSBRDKPX-SFHVURJKSA-N 1 0 335.448 0.785 50 0 ECAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)c1ccc3c(c1)OCCO3)CC2 ZINC000072254058 436036249 /nfs/dbraw/zinc/03/62/49/436036249.db2.gz JWALHDBYEQPDMS-KGLIPLIRSA-N 1 0 330.388 0.996 50 0 ECAARO Cc1nc(CN2CCC[C@@H]([NH2+]CC(=O)NCc3ccccn3)C2)no1 ZINC000072234608 436037339 /nfs/dbraw/zinc/03/73/39/436037339.db2.gz BYFHFHHKSANDAU-OAHLLOKOSA-N 1 0 344.419 0.643 50 0 ECAARO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000072279636 436039096 /nfs/dbraw/zinc/03/90/96/436039096.db2.gz TXMCZWFVKPSWEN-HZPDHXFCSA-N 1 0 339.480 0.796 50 0 ECAARO C[n+]1ccn(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000012941476 436056710 /nfs/dbraw/zinc/05/67/10/436056710.db2.gz KPGRAAUVGQDDHS-UHFFFAOYSA-N 1 0 335.409 0.287 50 0 ECAARO OC[C@H]1CCCC[N@@H+]1CCNc1nc2nonc2nc1N1CCCC1 ZINC000015062266 436076853 /nfs/dbraw/zinc/07/68/53/436076853.db2.gz XRDVODJNKUQSDO-GFCCVEGCSA-N 1 0 347.423 0.872 50 0 ECAARO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([NH2+]CCO)C2 ZINC000014750721 436076888 /nfs/dbraw/zinc/07/68/88/436076888.db2.gz OIYONQXLTOECFQ-AWEZNQCLSA-N 1 0 346.406 0.928 50 0 ECAARO Cc1c(CN2CC[NH+](CCO)CC2)c(=O)n(-c2ccccc2)n1C ZINC000022455625 436117148 /nfs/dbraw/zinc/11/71/48/436117148.db2.gz 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/nfs/dbraw/zinc/23/18/61/436231861.db2.gz URXIBTOAEAGIHI-UHFFFAOYSA-N 1 0 327.344 0.911 50 0 ECAARO CSCCC[N@@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000082106990 436361221 /nfs/dbraw/zinc/36/12/21/436361221.db2.gz DREVCXLRKOEUAM-UHFFFAOYSA-N 1 0 332.495 0.891 50 0 ECAARO NC(=O)COc1cccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000084374548 436380773 /nfs/dbraw/zinc/38/07/73/436380773.db2.gz VGBIFKQLUIOCIY-HOTGVXAUSA-N 1 0 347.415 0.222 50 0 ECAARO Cc1ccccc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000045974270 436382832 /nfs/dbraw/zinc/38/28/32/436382832.db2.gz XTDQTTWOXRAUQA-UHFFFAOYSA-N 1 0 339.461 0.826 50 0 ECAARO CC[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000084779895 436385652 /nfs/dbraw/zinc/38/56/52/436385652.db2.gz WLJAXIZGDUXVRL-IINYFYTJSA-N 1 0 337.449 0.895 50 0 ECAARO C[N@H+](CCO)C[C@H]1COCCN1C(=O)COc1ccccc1F ZINC000085469982 436389933 /nfs/dbraw/zinc/38/99/33/436389933.db2.gz JTDWCQNFKAQHJU-ZDUSSCGKSA-N 1 0 326.368 0.356 50 0 ECAARO 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[NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000097019764 436536322 /nfs/dbraw/zinc/53/63/22/436536322.db2.gz RFXUFZJKKBJFFB-UHFFFAOYSA-N 1 0 349.456 0.500 50 0 ECAARO Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)NC(N)=O)CC2)n1 ZINC000058356987 436624865 /nfs/dbraw/zinc/62/48/65/436624865.db2.gz GIGGCTXXMGBUKU-UHFFFAOYSA-N 1 0 333.392 0.626 50 0 ECAARO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000106513286 436595995 /nfs/dbraw/zinc/59/59/95/436595995.db2.gz SJWPLSALKLDGEV-ZIAGYGMSSA-N 1 0 330.454 0.038 50 0 ECAARO CC(C)C[NH+]1CCC(N2CCn3nc(C(=O)NCCO)cc3C2)CC1 ZINC000065409223 436659994 /nfs/dbraw/zinc/65/99/94/436659994.db2.gz GGYVOVTVFZODES-UHFFFAOYSA-N 1 0 349.479 0.541 50 0 ECAARO O=S1(=O)C=C[C@H](NCc2cnn(CC[NH+]3CCSCC3)c2)C1 ZINC000065370878 436655638 /nfs/dbraw/zinc/65/56/38/436655638.db2.gz GHARPWDLMBEINN-AWEZNQCLSA-N 1 0 342.490 0.332 50 0 ECAARO CC(C)[C@H]([NH3+])C(=O)N1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000195543780 436693602 /nfs/dbraw/zinc/69/36/02/436693602.db2.gz 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OTTRRUMLGTVRMY-AOOOYVTPSA-N 1 0 334.380 0.505 50 0 ECAARO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CN1CCOCC1=O ZINC000253431400 436846148 /nfs/dbraw/zinc/84/61/48/436846148.db2.gz PYVOJTZPHURCSO-HOCLYGCPSA-N 1 0 346.431 0.267 50 0 ECAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249737663 436825988 /nfs/dbraw/zinc/82/59/88/436825988.db2.gz GIACINZSQKNTEK-RQJABVFESA-N 1 0 331.482 0.839 50 0 ECAARO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157867697 436834791 /nfs/dbraw/zinc/83/47/91/436834791.db2.gz MPOTUWSHPKLBBP-GXTWGEPZSA-N 1 0 329.408 0.803 50 0 ECAARO CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000262652586 436940558 /nfs/dbraw/zinc/94/05/58/436940558.db2.gz YEBRGIUOZLYNJE-LLVKDONJSA-N 1 0 327.406 0.037 50 0 ECAARO NS(=O)(=O)c1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000281041024 436941403 /nfs/dbraw/zinc/94/14/03/436941403.db2.gz PLMYNPMJJZFXME-UHFFFAOYSA-N 1 0 337.445 0.938 50 0 ECAARO CC(C)N1C(=O)C[C@H](NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1=O ZINC000276723451 437153039 /nfs/dbraw/zinc/15/30/39/437153039.db2.gz XUCDVPUJFDFUEF-HNNXBMFYSA-N 1 0 329.400 0.641 50 0 ECAARO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277697046 437245324 /nfs/dbraw/zinc/24/53/24/437245324.db2.gz HWDXVOCEGAINAK-CMPLNLGQSA-N 1 0 326.780 0.493 50 0 ECAARO Cn1c(=O)oc2c1cccc2C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288525051 437331614 /nfs/dbraw/zinc/33/16/14/437331614.db2.gz NXNKICAEVNNIEI-GFCCVEGCSA-N 1 0 333.388 0.708 50 0 ECAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCc1nnc2n1CCC2 ZINC000426429907 438059627 /nfs/dbraw/zinc/05/96/27/438059627.db2.gz ZNHCHOJRGRPLMU-LBPRGKRZSA-N 1 0 329.408 0.204 50 0 ECAARO COCC(=O)NCCN(CC[NH+]1CCCCCC1)C(=O)COC ZINC000408516656 438581755 /nfs/dbraw/zinc/58/17/55/438581755.db2.gz MFOIMVWBJKUZAG-UHFFFAOYSA-N 1 0 329.441 0.100 50 0 ECAARO CN1CC[NH+](C2(CNc3nc(N)nc4nc[nH]c43)CCCC2)CC1 ZINC000534575235 439529093 /nfs/dbraw/zinc/52/90/93/439529093.db2.gz MZIKEUKOVHENGV-UHFFFAOYSA-N 1 0 330.440 0.689 50 0 ECAARO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c2c1CCCC2 ZINC000534675011 439533982 /nfs/dbraw/zinc/53/39/82/439533982.db2.gz SBNJLGONHUDQSD-LBPRGKRZSA-N 1 0 340.445 0.841 50 0 ECAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CCn3cnnn3)CC2)o1 ZINC000584890225 439623965 /nfs/dbraw/zinc/62/39/65/439623965.db2.gz ZQEYQOWYHMCFSZ-UHFFFAOYSA-N 1 0 332.408 0.993 50 0 ECAARO CC[C@@H]1CN(C(=O)[C@]2(COC)CC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000333815600 320927363 /nfs/dbraw/zinc/92/73/63/320927363.db2.gz KAYCGRUBKRJGKA-BFYDXBDKSA-N 1 0 325.453 0.182 50 0 ECAARO CNS(=O)(=O)c1cc(/C=C\C(=O)N2CC[C@@H]([NH3+])C2)ccc1OC ZINC000493626870 321943813 /nfs/dbraw/zinc/94/38/13/321943813.db2.gz JTLDFGMGTXIMMO-TXNVCOODSA-N 1 0 339.417 0.176 50 0 ECAARO [NH3+]CCC(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091782058 527168119 /nfs/dbraw/zinc/16/81/19/527168119.db2.gz DZWCUHNJFGVCCE-UHFFFAOYSA-N 1 0 343.435 0.913 50 0 ECAARO CCNc1ncc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cn1 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50 0 ECAARO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CCn3cncn3)CC2)C1 ZINC000670446504 548013246 /nfs/dbraw/zinc/01/32/46/548013246.db2.gz DGOZIEVSWDZYCB-HNNXBMFYSA-N 1 0 335.456 0.090 50 0 ECAARO C[NH+](C)[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1n1ccnn1 ZINC000685940141 549727049 /nfs/dbraw/zinc/72/70/49/549727049.db2.gz XMVPCZKCCXNBCQ-KGLIPLIRSA-N 1 0 327.392 0.573 50 0 ECAARO CN(Cc1ccccc1F)C(=O)[C@@]12C[N@H+](CC(N)=O)C[C@H]1COCC2 ZINC000685940519 549727323 /nfs/dbraw/zinc/72/73/23/549727323.db2.gz NGOZVRLCDXBEHW-KSSFIOAISA-N 1 0 349.406 0.608 50 0 ECAARO COc1ccccc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COCC3)CC1 ZINC000685941616 549727974 /nfs/dbraw/zinc/72/79/74/549727974.db2.gz DSYDLZQZWARRKB-HNAYVOBHSA-N 1 0 345.443 0.970 50 0 ECAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCCNC(=O)C1 ZINC000726848439 578149467 /nfs/dbraw/zinc/14/94/67/578149467.db2.gz AESPBLHUTJLJBY-UHFFFAOYSA-N 1 0 331.420 0.578 50 0 ECAARO CC(=O)N1C[C@@H](CO)C2(C1)CC[NH+](C1CCN(C(C)=O)CC1)CC2 ZINC000169791343 609747295 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C[C@@H]1C[NH+](C[C@H](O)CN2CCO[C@@H](c3nccs3)C2)C[C@@H](C)O1 ZINC000222215030 241499353 /nfs/dbraw/zinc/49/93/53/241499353.db2.gz OVRZPOGWHKAMRL-KBUPBQIOSA-N 1 0 341.477 0.987 50 0 ECAARO Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)nnn1C1CC[NH2+]CC1 ZINC000237736967 242776180 /nfs/dbraw/zinc/77/61/80/242776180.db2.gz YOHAKQONBVCMPB-KBPBESRZSA-N 1 0 346.435 0.394 50 0 ECAARO Cc1nonc1N1CCN(c2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)CC1 ZINC000244633490 243046961 /nfs/dbraw/zinc/04/69/61/243046961.db2.gz GDXJOXIRGIFXRA-PHIMTYICSA-N 1 0 331.380 0.315 50 0 ECAARO Cc1ncnc(N2CCN(C(=O)C[C@H](C)[NH+]3CCOCC3)CC2)c1C ZINC000244659812 243055336 /nfs/dbraw/zinc/05/53/36/243055336.db2.gz HJFJSQBEHDCKHC-AWEZNQCLSA-N 1 0 347.463 0.853 50 0 ECAARO C[N@@H+]1CCCN(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)CC1 ZINC000244741889 243072897 /nfs/dbraw/zinc/07/28/97/243072897.db2.gz NYJYUUNMNFXADX-MPGHIAIKSA-N 1 0 332.448 0.647 50 0 ECAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1 ZINC000078582460 217080837 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[NH3+]CCCOc1ccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1 ZINC000299798108 258101764 /nfs/dbraw/zinc/10/17/64/258101764.db2.gz PNTSXGLWVYVCDS-UHFFFAOYSA-N 1 0 344.419 0.490 50 0 ECAARO CNC(=O)Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000299800635 258103396 /nfs/dbraw/zinc/10/33/96/258103396.db2.gz UIVDOEWCRMBQHP-OAHLLOKOSA-N 1 0 334.420 0.553 50 0 ECAARO Cn1cc(C(=O)N[C@H](CC[NH+](C)C)c2ccccc2)c(=O)[nH]c1=O ZINC000299802094 258104934 /nfs/dbraw/zinc/10/49/34/258104934.db2.gz XFIRXCDBBCHDRR-CQSZACIVSA-N 1 0 330.388 0.909 50 0 ECAARO C[N@@H+]1CCCN(CC(=O)N2CCC3(CC2)OCCC[C@@H]3O)CC1 ZINC000107694709 258070122 /nfs/dbraw/zinc/07/01/22/258070122.db2.gz HOAXNWJSHJXTCC-HNNXBMFYSA-N 1 0 325.453 0.156 50 0 ECAARO CO[C@]12CC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)[C@H]1C[C@@H](OCCO)CC2 ZINC000299761249 258077715 /nfs/dbraw/zinc/07/77/15/258077715.db2.gz YIEBDOZOOVROLC-HEHGZKQESA-N 1 0 339.392 0.409 50 0 ECAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000299766177 258081102 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CCC[NH+]1CCC(CC(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)CC1 ZINC000091738325 218055953 /nfs/dbraw/zinc/05/59/53/218055953.db2.gz AZSPUWQACJTYHP-UHFFFAOYSA-N 1 0 348.451 0.601 50 0 ECAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2sccc2N)C[C@@H]1CO ZINC000091755715 218060575 /nfs/dbraw/zinc/06/05/75/218060575.db2.gz XBGTVNLNJQIBTO-VXGBXAGGSA-N 1 0 327.450 0.589 50 0 ECAARO Cc1ccc([C@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]2[NH3+])o1 ZINC000091988508 218099273 /nfs/dbraw/zinc/09/92/73/218099273.db2.gz DDIALFUZAAVYPU-KBPBESRZSA-N 1 0 330.388 0.715 50 0 ECAARO CCc1cc(=O)n2nc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)sc2n1 ZINC000095349635 218283966 /nfs/dbraw/zinc/28/39/66/218283966.db2.gz RODUHCRDKLCNEL-CHWSQXEVSA-N 1 0 349.460 0.749 50 0 ECAARO O=C1OCCCN1CC[NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095500357 218414737 /nfs/dbraw/zinc/41/47/37/218414737.db2.gz NVWVPVHXWWIBRJ-UHFFFAOYSA-N 1 0 345.407 0.754 50 0 ECAARO COc1ccccc1[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1noc(C)n1 ZINC000187783895 533020324 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COc1ccc(N2C[C@H](C(=O)N3CC[C@@H](C[NH3+])C3)CC2=O)cc1OC ZINC000299740213 258009286 /nfs/dbraw/zinc/00/92/86/258009286.db2.gz XBWKMUIOGAAKAS-QWHCGFSZSA-N 1 0 347.415 0.864 50 0 ECAARO CN(C(=O)c1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1CC[NH2+]C1 ZINC000299739505 258010236 /nfs/dbraw/zinc/01/02/36/258010236.db2.gz PMTKVNBXVQATIQ-CYBMUJFWSA-N 1 0 348.428 0.710 50 0 ECAARO O=C(N1CCN(c2nc[nH]n2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000299782630 258090688 /nfs/dbraw/zinc/09/06/88/258090688.db2.gz WCKASADSUZOSOP-UHFFFAOYSA-N 1 0 340.431 0.775 50 0 ECAARO CO[C@]12CC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)[C@H]1C[C@H](OCCO)CC2 ZINC000299789494 258095678 /nfs/dbraw/zinc/09/56/78/258095678.db2.gz YIEBDOZOOVROLC-DVOMOZLQSA-N 1 0 339.392 0.409 50 0 ECAARO Cc1n[nH]c(C)c1CC(=O)NCC[C@@H]1CCC(=O)N1CC[NH+](C)C ZINC000299792326 258097214 /nfs/dbraw/zinc/09/72/14/258097214.db2.gz DXGWIMUOFDCTNQ-AWEZNQCLSA-N 1 0 335.452 0.628 50 0 ECAARO COCCN1C[C@H](C[NH+]2CCN(c3ncnc(C)c3C)CC2)CC1=O ZINC000299768536 258082583 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CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000069818361 435969763 /nfs/dbraw/zinc/96/97/63/435969763.db2.gz DBYUQLLHMHQHOW-CABCVRRESA-N 1 0 331.482 0.743 50 0 ECAARO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000002944193 435971854 /nfs/dbraw/zinc/97/18/54/435971854.db2.gz MHBJPKQVHPSILB-OAHLLOKOSA-N 1 0 345.509 0.896 50 0 ECAARO Nc1cc(N)[nH+]c(SCC(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000003510281 435974592 /nfs/dbraw/zinc/97/45/92/435974592.db2.gz VUWQFZLKKRHCGA-UHFFFAOYSA-N 1 0 333.373 0.778 50 0 ECAARO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000070006594 435983799 /nfs/dbraw/zinc/98/37/99/435983799.db2.gz SLPIDXHEIDQFRP-AWEZNQCLSA-N 1 0 331.420 0.562 50 0 ECAARO CS(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000000261926 435952808 /nfs/dbraw/zinc/95/28/08/435952808.db2.gz USGDZDVEIXGHDY-UHFFFAOYSA-N 1 0 331.482 0.650 50 0 ECAARO CNC(=O)NC(=O)CC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000069659584 435956597 /nfs/dbraw/zinc/95/65/97/435956597.db2.gz ASCLKMRBDLZUJH-JTQLQIEISA-N 1 0 342.421 0.173 50 0 ECAARO CC[C@@H](C)[C@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)C(=O)OC ZINC000007692807 436016423 /nfs/dbraw/zinc/01/64/23/436016423.db2.gz GTJLYMJAQUFDOG-HQJQHLMTSA-N 1 0 327.410 0.437 50 0 ECAARO Cc1nc(CN2CCC[C@@H]([NH2+]CC(=O)Nc3ccncc3)C2)no1 ZINC000071870622 436022754 /nfs/dbraw/zinc/02/27/54/436022754.db2.gz TVETXHWDCJCHIP-CQSZACIVSA-N 1 0 330.392 0.966 50 0 ECAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)CN(C)Cc1ccccc1)CC2 ZINC000071877196 436023662 /nfs/dbraw/zinc/02/36/62/436023662.db2.gz QZGWRFWTVIZAIT-SJORKVTESA-N 1 0 329.448 0.984 50 0 ECAARO O=C1CCC(=O)N1C[C@@H](O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000071898288 436027782 /nfs/dbraw/zinc/02/77/82/436027782.db2.gz JKNNLPSLPMTJPW-QFBILLFUSA-N 1 0 346.427 0.942 50 0 ECAARO CCCCn1nnnc1C[NH2+][C@H]1CCCN(Cc2noc(C)n2)C1 ZINC000072234592 436036975 /nfs/dbraw/zinc/03/69/75/436036975.db2.gz KABOEZZPUUCTRF-ZDUSSCGKSA-N 1 0 334.428 0.919 50 0 ECAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O 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BNXUKWONGCVBRO-WMLDXEAASA-N 1 0 336.480 0.482 50 0 ECAARO Cn1ncc(N2CC[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)cc1=O ZINC000077357197 436233549 /nfs/dbraw/zinc/23/35/49/436233549.db2.gz OGPDQOFRSQJWPV-CQSZACIVSA-N 1 0 347.463 0.597 50 0 ECAARO C[NH+](C)CCN1CC2(CCN(C(=O)c3cnccn3)CC2)OC1=O ZINC000077394450 436236033 /nfs/dbraw/zinc/23/60/33/436236033.db2.gz UMYKKBRUOKBDQG-UHFFFAOYSA-N 1 0 333.392 0.465 50 0 ECAARO CN1CCc2n[nH]c(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)c2C1 ZINC000077391207 436236505 /nfs/dbraw/zinc/23/65/05/436236505.db2.gz JLEIXCXAATYZFO-UHFFFAOYSA-N 1 0 347.463 0.582 50 0 ECAARO O=C1CC2(CN1)CC[NH+](Cc1cnc(N3CCOCC3)nc1)CC2 ZINC000077379436 436237037 /nfs/dbraw/zinc/23/70/37/436237037.db2.gz ZRQOIGGRYFFUJT-UHFFFAOYSA-N 1 0 331.420 0.415 50 0 ECAARO Cn1ncc(N2CCC(CNC(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1=O ZINC000077516735 436241241 /nfs/dbraw/zinc/24/12/41/436241241.db2.gz WWFGUNCQSWCMEX-GOSISDBHSA-N 1 0 347.463 0.503 50 0 ECAARO NC(=O)C1CC[NH+](CC(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000029121308 436196677 /nfs/dbraw/zinc/19/66/77/436196677.db2.gz ULFOGDAVJVIICT-UHFFFAOYSA-N 1 0 347.415 0.314 50 0 ECAARO Cn1cnc2c1c(=O)n(CCC[N@H+](C)Cc1ccccc1)c(=O)n2C ZINC000030776380 436221206 /nfs/dbraw/zinc/22/12/06/436221206.db2.gz QTNTYSUYLUIPFG-UHFFFAOYSA-N 1 0 341.415 0.956 50 0 ECAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000078898663 436282911 /nfs/dbraw/zinc/28/29/11/436282911.db2.gz MFDVAUYBJDMFGU-ZFWWWQNUSA-N 1 0 339.461 0.935 50 0 ECAARO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C[C@@H]1[NH+](C)C ZINC000078894904 436283228 /nfs/dbraw/zinc/28/32/28/436283228.db2.gz IAMYDTLNRFFDGH-FMKPAKJESA-N 1 0 330.432 0.839 50 0 ECAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000089374946 436409815 /nfs/dbraw/zinc/40/98/15/436409815.db2.gz AEONWFSNJLQRSG-AWEZNQCLSA-N 1 0 346.497 0.251 50 0 ECAARO O=C(CN1CC[NH+](C[C@H](O)C2CC2)CC1)NCc1ccc(F)cc1 ZINC000085436835 436387845 /nfs/dbraw/zinc/38/78/45/436387845.db2.gz VMDPTSRMKCLUSS-KRWDZBQOSA-N 1 0 335.423 0.830 50 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Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072421542 216210003 /nfs/dbraw/zinc/21/00/03/216210003.db2.gz SFOCMBWNFAQWJT-GOEBONIOSA-N 1 0 347.463 0.757 50 0 ECAARO CCc1nc2c(c(N(C)Cc3nncn3CCOC)n1)CC[NH2+]CC2 ZINC000072429763 216222047 /nfs/dbraw/zinc/22/20/47/216222047.db2.gz YLXILYLXKBWMST-UHFFFAOYSA-N 1 0 345.451 0.602 50 0 ECAARO c1cn(CCNc2ncnc3c2CC[N@@H+](C2CCOCC2)CC3)nn1 ZINC000072426582 216217971 /nfs/dbraw/zinc/21/79/71/216217971.db2.gz YAUULQFIYJIQMC-UHFFFAOYSA-N 1 0 343.435 0.760 50 0 ECAARO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072453890 216240421 /nfs/dbraw/zinc/24/04/21/216240421.db2.gz JAKDXKBSGJJMIF-INIZCTEOSA-N 1 0 330.432 0.835 50 0 ECAARO CCOCc1nc2c(c(NC[C@@H]3CCCO3)n1)CCN(CC[NH3+])CC2 ZINC000072453990 216241107 /nfs/dbraw/zinc/24/11/07/216241107.db2.gz OYQHYYTXILVUOQ-AWEZNQCLSA-N 1 0 349.479 0.963 50 0 ECAARO Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2=O)cc1C ZINC000072463590 216246787 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O=C(CCC1CC[NH+](CCn2cc[nH]c2=O)CC1)N1CCOCC1 ZINC000244594042 243042355 /nfs/dbraw/zinc/04/23/55/243042355.db2.gz DFMNMXNHXIBDHX-UHFFFAOYSA-N 1 0 336.436 0.527 50 0 ECAARO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccnc(Cl)c2)CC1 ZINC000020677764 212162749 /nfs/dbraw/zinc/16/27/49/212162749.db2.gz RYLDRZYWVPWVMQ-UHFFFAOYSA-N 1 0 339.827 0.427 50 0 ECAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000253536685 244014038 /nfs/dbraw/zinc/01/40/38/244014038.db2.gz KONXKWNMZCAFKD-KBPBESRZSA-N 1 0 344.371 0.634 50 0 ECAARO CC[NH+]1CCN(CCNC(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000078394443 217047007 /nfs/dbraw/zinc/04/70/07/217047007.db2.gz XYRUOSJHWUZPRW-UHFFFAOYSA-N 1 0 328.420 0.635 50 0 ECAARO NC(=O)c1cc([C@H]2CCC[N@H+](C[C@H](O)COCc3ccco3)C2)n[nH]1 ZINC000078900850 217143878 /nfs/dbraw/zinc/14/38/78/217143878.db2.gz DUTGEMSPMUPXEK-STQMWFEESA-N 1 0 348.403 0.859 50 0 ECAARO O=C(Cc1cccc(F)c1)N1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000011951688 211274338 /nfs/dbraw/zinc/27/43/38/211274338.db2.gz JLCGLWQNXXTDIW-IAGOWNOFSA-N 1 0 336.407 0.787 50 0 ECAARO Nc1cc(N2C[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C3CC3)C2)nc(N)n1 ZINC000091445054 218007412 /nfs/dbraw/zinc/00/74/12/218007412.db2.gz VYEGVTHYXPINDK-OLZOCXBDSA-N 1 0 345.451 0.068 50 0 ECAARO CN1CC[NH+]([C@H]2CCN(c3cc(N)ncn3)C[C@H]2CCCO)CC1 ZINC000091452296 218009173 /nfs/dbraw/zinc/00/91/73/218009173.db2.gz AVQLQAHUWWOFCK-CABCVRRESA-N 1 0 334.468 0.274 50 0 ECAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1ccncc1)CC2 ZINC000091468359 218010588 /nfs/dbraw/zinc/01/05/88/218010588.db2.gz JLXOCLMPKAYJKG-CVEARBPZSA-N 1 0 333.432 0.732 50 0 ECAARO CC[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H]1CO ZINC000091587011 218025728 /nfs/dbraw/zinc/02/57/28/218025728.db2.gz FTRDIYXZQLSMSD-CHWSQXEVSA-N 1 0 342.386 0.960 50 0 ECAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000091586258 218025782 /nfs/dbraw/zinc/02/57/82/218025782.db2.gz MVYYLUHNKDWESM-GFCCVEGCSA-N 1 0 342.399 0.455 50 0 ECAARO CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000091871879 218080586 /nfs/dbraw/zinc/08/05/86/218080586.db2.gz AWQYEJUHRBBNMV-NSHDSACASA-N 1 0 327.348 0.383 50 0 ECAARO Cn1cccc1C(=O)N1CC[C@@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091871745 218080602 /nfs/dbraw/zinc/08/06/02/218080602.db2.gz URVGWTUMCSUNHL-GOSISDBHSA-N 1 0 335.448 0.961 50 0 ECAARO C[N@@H+]1CCN(C(=O)CCc2ccccn2)C[C@@]12CCNC(=O)CC2 ZINC000091943485 218092300 /nfs/dbraw/zinc/09/23/00/218092300.db2.gz SLLIOZAUOLEJRD-GOSISDBHSA-N 1 0 330.432 0.827 50 0 ECAARO Cc1[nH+]c(N(C)C)nc(N2CC[C@@]3(C2)CCCN(CCO)C3=O)c1C ZINC000091952329 218094342 /nfs/dbraw/zinc/09/43/42/218094342.db2.gz LTLCKFQSVWTREI-GOSISDBHSA-N 1 0 347.463 0.971 50 0 ECAARO C[NH+]1CCC(C2CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)CC1 ZINC000095366714 218298926 /nfs/dbraw/zinc/29/89/26/218298926.db2.gz WIIKZWZFPXHAMO-UHFFFAOYSA-N 1 0 334.420 0.186 50 0 ECAARO Cc1nc(C)n(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000095370834 218303700 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COc1ccc(N2C[C@@H](C(=O)N3CCC[NH2+]CC3)CC2=O)cc1OC ZINC000299746398 258008699 /nfs/dbraw/zinc/00/86/99/258008699.db2.gz XCTQGMADVQKGLF-ZDUSSCGKSA-N 1 0 347.415 0.879 50 0 ECAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)s2)C1 ZINC000299739156 258011517 /nfs/dbraw/zinc/01/15/17/258011517.db2.gz LFSPDJDNXMSRCN-SNVBAGLBSA-N 1 0 331.463 0.776 50 0 ECAARO Cc1nc(C)n(CCCNC(=O)[C@@H]2CCCN2C2CC[NH+](C)CC2)n1 ZINC000299775346 258086206 /nfs/dbraw/zinc/08/62/06/258086206.db2.gz DQZSBEZQYSOSCF-KRWDZBQOSA-N 1 0 348.495 0.960 50 0 ECAARO Cn1cc(C(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)ccc1=O ZINC000299794381 258099311 /nfs/dbraw/zinc/09/93/11/258099311.db2.gz KDRJRDFQZLKNAB-UHFFFAOYSA-N 1 0 332.448 0.627 50 0 ECAARO CNC(=O)Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000299800631 258103824 /nfs/dbraw/zinc/10/38/24/258103824.db2.gz UIVDOEWCRMBQHP-HNNXBMFYSA-N 1 0 334.420 0.553 50 0 ECAARO CCc1nccn1CC1(CNC(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000299756379 258074910 /nfs/dbraw/zinc/07/49/10/258074910.db2.gz 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COCCN1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(COC)n2)CC1 ZINC000244701136 243059761 /nfs/dbraw/zinc/05/97/61/243059761.db2.gz KATXQEGKOKXNGK-OKILXGFUSA-N 1 0 335.452 0.596 50 0 ECAARO C[NH+]1CCN(CCCNC(=O)c2nc(-c3ccccn3)no2)CC1 ZINC000020676978 212162616 /nfs/dbraw/zinc/16/26/16/212162616.db2.gz FKGUNWJQRYLZTR-UHFFFAOYSA-N 1 0 330.392 0.499 50 0 ECAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccnc(N)c2)C1 ZINC000091445216 218007595 /nfs/dbraw/zinc/00/75/95/218007595.db2.gz XCZNOQPBBXDTEL-ZIAGYGMSSA-N 1 0 336.436 0.313 50 0 ECAARO O=C(COc1ccc2c(c1)OCO2)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091563221 218022745 /nfs/dbraw/zinc/02/27/45/218022745.db2.gz VLUOONHHXOWFGK-SJCJKPOMSA-N 1 0 334.372 0.367 50 0 ECAARO COCCN1CC[C@]2(CN(C(=O)NC(C)C)CC[N@@H+]2C)CCC1=O ZINC000091616688 218031279 /nfs/dbraw/zinc/03/12/79/218031279.db2.gz MFVKLMHMCYRHEZ-KRWDZBQOSA-N 1 0 340.468 0.750 50 0 ECAARO CN1CC[NH+](C[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@H]2CO)CC1 ZINC000091644671 218037832 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DKJAAPJWJQXRPP-KGLIPLIRSA-N 1 0 331.482 0.649 50 0 ECAARO Cc1cccc(CN2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014742415 436076570 /nfs/dbraw/zinc/07/65/70/436076570.db2.gz VHYSYSHOZYTSCH-DLBZAZTESA-N 1 0 344.459 0.635 50 0 ECAARO CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000015864222 436087620 /nfs/dbraw/zinc/08/76/20/436087620.db2.gz CACDMHPKOQLPSM-UHFFFAOYSA-N 1 0 341.433 0.138 50 0 ECAARO CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000075132309 436152231 /nfs/dbraw/zinc/15/22/31/436152231.db2.gz NDVRGQSTCCFTNJ-INIZCTEOSA-N 1 0 347.463 0.865 50 0 ECAARO CN1CCN(C2CC[NH+](Cc3cccc(OCC(N)=O)c3)CC2)C1=O ZINC000075131572 436153169 /nfs/dbraw/zinc/15/31/69/436153169.db2.gz BTLFNNSFGNDQTH-UHFFFAOYSA-N 1 0 346.431 0.883 50 0 ECAARO CCn1c(=O)[nH]c2cc(C(=O)NC3CC[NH+](CC)CC3)ccc2c1=O ZINC000075119300 436153292 /nfs/dbraw/zinc/15/32/92/436153292.db2.gz ZTKZAKZIYCTVBU-UHFFFAOYSA-N 1 0 344.415 0.924 50 0 ECAARO CCN1CCN(C(=O)c2cnc(N3CC[NH+](CC)CC3)nc2C)CC1 ZINC000021638451 436113894 /nfs/dbraw/zinc/11/38/94/436113894.db2.gz JAXPSIBAUSHIHV-UHFFFAOYSA-N 1 0 346.479 0.705 50 0 ECAARO Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)c3cn(C)nn3)CC2)n1 ZINC000075162640 436155864 /nfs/dbraw/zinc/15/58/64/436155864.db2.gz RRMVZZRQOLTRQG-UHFFFAOYSA-N 1 0 331.424 0.477 50 0 ECAARO CN(C)C(=O)CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000075582744 436167633 /nfs/dbraw/zinc/16/76/33/436167633.db2.gz LOWGMSRUFPEXCI-INIZCTEOSA-N 1 0 332.448 0.938 50 0 ECAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]2C)CC1 ZINC000076055829 436187835 /nfs/dbraw/zinc/18/78/35/436187835.db2.gz YUMWZDKTLOFIDU-YOEHRIQHSA-N 1 0 332.448 0.370 50 0 ECAARO CN1C[C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000032065003 436235192 /nfs/dbraw/zinc/23/51/92/436235192.db2.gz BBNIBNAPEJNAMG-KRWDZBQOSA-N 1 0 344.459 0.399 50 0 ECAARO [NH3+]CCn1cc(C(=O)NCc2noc(-c3c(F)cccc3F)n2)nn1 ZINC000077486691 436240435 /nfs/dbraw/zinc/24/04/35/436240435.db2.gz RVSQNILHXQBFGF-UHFFFAOYSA-N 1 0 349.301 0.495 50 0 ECAARO C[NH+](C)CCN1CN=C(NS(=O)(=O)c2ccc(Cl)cc2)NC1 ZINC000030874777 436223166 /nfs/dbraw/zinc/22/31/66/436223166.db2.gz UALPRIQNRRTVCT-UHFFFAOYSA-N 1 0 345.856 0.356 50 0 ECAARO CNC(=O)C[NH+]1CCC(CN(C)c2c(C)c(C)nc3ncnn32)CC1 ZINC000077226656 436229102 /nfs/dbraw/zinc/22/91/02/436229102.db2.gz ZOUVQPBNIAMGGQ-UHFFFAOYSA-N 1 0 345.451 0.635 50 0 ECAARO C[NH+]1CCN(c2ccc(CNC(=O)Cn3ccccc3=O)cn2)CC1 ZINC000042061978 436295358 /nfs/dbraw/zinc/29/53/58/436295358.db2.gz DITCGGHUMLTKHE-UHFFFAOYSA-N 1 0 341.415 0.312 50 0 ECAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccco1 ZINC000033372376 436252480 /nfs/dbraw/zinc/25/24/80/436252480.db2.gz LVURILACPAOGPN-KBPBESRZSA-N 1 0 348.403 0.623 50 0 ECAARO Cc1nc(N2CCN(S(C)(=O)=O)CC2)cc(N2CCCCC2)[nH+]1 ZINC000033318390 436253991 /nfs/dbraw/zinc/25/39/91/436253991.db2.gz VCXCQJXTWFMKTH-UHFFFAOYSA-N 1 0 339.465 0.857 50 0 ECAARO C[C@H]1CN(C(=O)c2ccccc2CN2C(=O)CNC2=O)C[C@H]1[NH+](C)C ZINC000078895052 436282508 /nfs/dbraw/zinc/28/25/08/436282508.db2.gz KALJVVRVIRUAKT-SWLSCSKDSA-N 1 0 344.415 0.761 50 0 ECAARO CC(C)c1cc(C(=O)NCc2cc3n(n2)CC[NH2+]C3)nc2ncnn21 ZINC000082091180 436361512 /nfs/dbraw/zinc/36/15/12/436361512.db2.gz JBZKLZPSJYDSSW-UHFFFAOYSA-N 1 0 340.391 0.477 50 0 ECAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@@H]1CCCN(c2ccccn2)C1 ZINC000082087105 436362165 /nfs/dbraw/zinc/36/21/65/436362165.db2.gz WGZNSAWTKRIHAT-CQSZACIVSA-N 1 0 340.431 0.914 50 0 ECAARO O=C(CCNC(=O)c1ccccc1F)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082170807 436363261 /nfs/dbraw/zinc/36/32/61/436363261.db2.gz JBIIGAHOJBODRU-UHFFFAOYSA-N 1 0 345.378 0.562 50 0 ECAARO Cn1c(=O)ccn(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1=O ZINC000048072509 436439571 /nfs/dbraw/zinc/43/95/71/436439571.db2.gz VYHHJGQMMWZGQD-ZDUSSCGKSA-N 1 0 346.387 0.093 50 0 ECAARO C[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000048355622 436450990 /nfs/dbraw/zinc/45/09/90/436450990.db2.gz TYPCQYBUIOUGOV-UHFFFAOYSA-N 1 0 328.420 0.635 50 0 ECAARO CCc1nc(C)sc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091650391 436456606 /nfs/dbraw/zinc/45/66/06/436456606.db2.gz XDGCJXZYQPGVNI-CHWSQXEVSA-N 1 0 341.477 0.619 50 0 ECAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)CCCN2CCCCC2=O)C1 ZINC000091792703 436459996 /nfs/dbraw/zinc/45/99/96/436459996.db2.gz QVDPGHBRVODYKR-CVEARBPZSA-N 1 0 339.480 0.798 50 0 ECAARO CCn1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](CC)CCO)C2)c(C)n1 ZINC000091830641 436460253 /nfs/dbraw/zinc/46/02/53/436460253.db2.gz NQRIFSIUCSGTTM-HUUCEWRRSA-N 1 0 338.452 0.206 50 0 ECAARO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCOCC2)CC1 ZINC000095461025 436493660 /nfs/dbraw/zinc/49/36/60/436493660.db2.gz UTFKZKOVSMIALO-OAHLLOKOSA-N 1 0 342.484 0.053 50 0 ECAARO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)cc1 ZINC000096477463 436531855 /nfs/dbraw/zinc/53/18/55/436531855.db2.gz CPQNBVMMHUFNIV-DZGCQCFKSA-N 1 0 340.493 0.491 50 0 ECAARO CCc1ncnc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1F ZINC000096489046 436533136 /nfs/dbraw/zinc/53/31/36/436533136.db2.gz QYOMEMFOLLHIAE-LBPRGKRZSA-N 1 0 342.440 0.924 50 0 ECAARO Cn1nc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097813619 436544951 /nfs/dbraw/zinc/54/49/51/436544951.db2.gz JJUQNKOVJKOJTQ-SECBINFHSA-N 1 0 347.341 0.366 50 0 ECAARO C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000107058916 436608000 /nfs/dbraw/zinc/60/80/00/436608000.db2.gz WUYXXOGRRJOIJU-ZYHUDNBSSA-N 1 0 338.433 0.105 50 0 ECAARO CC(=O)N1CCN([C@@H]2C[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@@H]2C)CC1 ZINC000107141969 436608853 /nfs/dbraw/zinc/60/88/53/436608853.db2.gz ZMRCDSKEYRIUIT-JJRVBVJISA-N 1 0 336.480 0.386 50 0 ECAARO CCN(CC)[C@H](C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1 ZINC000058060445 436619835 /nfs/dbraw/zinc/61/98/35/436619835.db2.gz LFRMWQXKCRCXMD-XHSDSOJGSA-N 1 0 326.462 0.817 50 0 ECAARO O=C(CC[NH2+]CCS(=O)(=O)N1CCCC1)Nc1nccs1 ZINC000065386476 436657713 /nfs/dbraw/zinc/65/77/13/436657713.db2.gz NOGCDQOXQSGCQL-UHFFFAOYSA-N 1 0 332.451 0.487 50 0 ECAARO CCn1c(C2CC[NH2+]CC2)nn(C[C@@H]2CCCS(=O)(=O)C2)c1=O ZINC000065383831 436658011 /nfs/dbraw/zinc/65/80/11/436658011.db2.gz VBUGWHVVUXDQOU-LBPRGKRZSA-N 1 0 342.465 0.357 50 0 ECAARO NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000219950330 436697234 /nfs/dbraw/zinc/69/72/34/436697234.db2.gz UXRXBUCWBPOPTJ-LLVKDONJSA-N 1 0 325.796 0.901 50 0 ECAARO O=C(C1CC1)N1CCC([NH2+]Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000065465645 436662450 /nfs/dbraw/zinc/66/24/50/436662450.db2.gz ZQNKOSUTGDRPJZ-UHFFFAOYSA-N 1 0 345.447 0.804 50 0 ECAARO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)n1cccn1 ZINC000065454274 436663776 /nfs/dbraw/zinc/66/37/76/436663776.db2.gz KKDRGDRUGKYEFP-CQSZACIVSA-N 1 0 328.420 0.907 50 0 ECAARO Cn1c2ccc(C[NH2+]CC(=O)Nc3cnccn3)cc2n(C)c1=O ZINC000065494558 436664698 /nfs/dbraw/zinc/66/46/98/436664698.db2.gz VGOXVSVAIHUTQU-UHFFFAOYSA-N 1 0 326.360 0.395 50 0 ECAARO O=C(CCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)NCc1ccncc1 ZINC000066194605 436678883 /nfs/dbraw/zinc/67/88/83/436678883.db2.gz QUXIXSVRNNHGKS-INIZCTEOSA-N 1 0 345.447 0.968 50 0 ECAARO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C[NH2+]C[C@@H]1CCCO1)CC2 ZINC000236850820 436719608 /nfs/dbraw/zinc/71/96/08/436719608.db2.gz RALKNPQUWXFWIC-RRFJBIMHSA-N 1 0 326.437 0.534 50 0 ECAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]CCn1ccnn1 ZINC000067642032 436719627 /nfs/dbraw/zinc/71/96/27/436719627.db2.gz BUSNVUFVFQAWSN-GOSISDBHSA-N 1 0 343.431 0.464 50 0 ECAARO COc1ccc([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2nccn2C)cc1 ZINC000237352696 436731879 /nfs/dbraw/zinc/73/18/79/436731879.db2.gz AEKMTIYKTCZQGB-GJZGRUSLSA-N 1 0 330.388 0.623 50 0 ECAARO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000237636165 436740407 /nfs/dbraw/zinc/74/04/07/436740407.db2.gz IOQXGOHACTVJHM-WDEREUQCSA-N 1 0 332.447 0.590 50 0 ECAARO CN(CCc1ccccn1)C(=O)CCN(C)[C@H]1CCS(=O)(=O)C1 ZINC000240936846 436759377 /nfs/dbraw/zinc/75/93/77/436759377.db2.gz SETWNHMTXCONRS-HNNXBMFYSA-N 1 0 339.461 0.592 50 0 ECAARO CCNc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)nc(C)[nH+]1 ZINC000067613533 436717732 /nfs/dbraw/zinc/71/77/32/436717732.db2.gz MFYMJNCXTHXSJX-UHFFFAOYSA-N 1 0 328.442 0.145 50 0 ECAARO Cn1ccnc1CN1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000069452807 436773970 /nfs/dbraw/zinc/77/39/70/436773970.db2.gz CVYLUYYQJDCXAG-CVEARBPZSA-N 1 0 338.452 0.094 50 0 ECAARO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CO)C1)c1cccs1 ZINC000253408179 436841438 /nfs/dbraw/zinc/84/14/38/436841438.db2.gz XWPTWFNBZQJLHZ-QWHCGFSZSA-N 1 0 339.461 0.698 50 0 ECAARO C[C@@H]1C[C@@H](NC(=O)NCC2(OCCO)CCOCC2)C[N@@H+]1C1CC1 ZINC000253394465 436842194 /nfs/dbraw/zinc/84/21/94/436842194.db2.gz DZLPVCNTXGZPTA-ZIAGYGMSSA-N 1 0 341.452 0.469 50 0 ECAARO O=C(Cc1ccccc1F)N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1CO ZINC000257183523 436857554 /nfs/dbraw/zinc/85/75/54/436857554.db2.gz HOVNVZRFJXLKGL-WMLDXEAASA-N 1 0 336.407 0.956 50 0 ECAARO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000257176450 436857842 /nfs/dbraw/zinc/85/78/42/436857842.db2.gz SVWAVWVGJXGVJP-SJORKVTESA-N 1 0 345.443 0.531 50 0 ECAARO COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@]1(C)CCC[NH2+]C1 ZINC000261646328 436880528 /nfs/dbraw/zinc/88/05/28/436880528.db2.gz HBNLQZNZKILNBI-GFCCVEGCSA-N 1 0 333.435 0.598 50 0 ECAARO COc1ccc(N2C[C@@H](C(=O)N3CC[NH2+]C[C@@H]3C)CC2=O)c(OC)c1 ZINC000261778753 436887977 /nfs/dbraw/zinc/88/79/77/436887977.db2.gz NQAVIPSJPGBJIT-STQMWFEESA-N 1 0 347.415 0.877 50 0 ECAARO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(N)cc2)CC1 ZINC000170605018 436946740 /nfs/dbraw/zinc/94/67/40/436946740.db2.gz IDSATZIXTWUZAF-CYBMUJFWSA-N 1 0 326.466 0.573 50 0 ECAARO CS(=O)(=O)NCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000173817836 437066956 /nfs/dbraw/zinc/06/69/56/437066956.db2.gz SQBQNLYAMZLTIM-HNNXBMFYSA-N 1 0 339.461 0.707 50 0 ECAARO [NH3+]CCn1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)nn1 ZINC000077377654 303390820 /nfs/dbraw/zinc/39/08/20/303390820.db2.gz BIYRGSWTWABETM-LBPRGKRZSA-N 1 0 343.309 0.719 50 0 ECAARO COc1cccc(C[C@H](NC(C)=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000299739576 437107144 /nfs/dbraw/zinc/10/71/44/437107144.db2.gz QHQXUPQATDBXKN-XNJGSVPQSA-N 1 0 333.432 0.951 50 0 ECAARO CN(C(=O)C[C@@H]1CCCC(=O)N1)C1CC[NH+](CCn2cccn2)CC1 ZINC000289874709 437446747 /nfs/dbraw/zinc/44/67/47/437446747.db2.gz HXOROMSPZZNTSW-HNNXBMFYSA-N 1 0 347.463 0.865 50 0 ECAARO COCC[N@H+](C)CCN1C[C@H](NC(=O)CCc2ccccn2)CC1=O ZINC000354129987 437538270 /nfs/dbraw/zinc/53/82/70/437538270.db2.gz HLCHQGMTGSGWDW-MRXNPFEDSA-N 1 0 348.447 0.310 50 0 ECAARO Cc1ccc(C(=O)N2CCN(C)[C@@H](CCO)C2)cc1OCCC[NH3+] ZINC000426399258 438057189 /nfs/dbraw/zinc/05/71/89/438057189.db2.gz QESOUIIQZCFYKL-INIZCTEOSA-N 1 0 335.448 0.861 50 0 ECAARO CN(C)c1nc(N)nc(CNC(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000426477669 438059039 /nfs/dbraw/zinc/05/90/39/438059039.db2.gz ZDFJROWDNMUAFW-UHFFFAOYSA-N 1 0 329.408 0.511 50 0 ECAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)NCCc1ccncc1)CC2 ZINC000426530848 438064923 /nfs/dbraw/zinc/06/49/23/438064923.db2.gz OEQKRDYWMYWWQD-UHFFFAOYSA-N 1 0 345.447 0.620 50 0 ECAARO COc1cc(C(=O)NCCc2csc(N)n2)ccc1OCC[NH3+] ZINC000426701337 438071491 /nfs/dbraw/zinc/07/14/91/438071491.db2.gz BQCINJZZBDOIMS-UHFFFAOYSA-N 1 0 336.417 1.044 50 0 ECAARO CCCCCC[C@](O)(CN1CCO[C@@H](C(=O)NC)C1)C(=O)OC ZINC000408524440 438582281 /nfs/dbraw/zinc/58/22/81/438582281.db2.gz UNIDRNMTXXGWIT-CJNGLKHVSA-N 1 0 330.425 0.308 50 0 ECAARO O=S(=O)(NC[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(C(F)(F)F)cc1 ZINC000534592811 439528619 /nfs/dbraw/zinc/52/86/19/439528619.db2.gz NTZIPGWJMZLIKF-JOYOIKCWSA-N 1 0 338.351 0.954 50 0 ECAARO Cn1ccc(NC(=O)CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)n1 ZINC000534673632 439534493 /nfs/dbraw/zinc/53/44/93/439534493.db2.gz UVZMGFTZOVGWBC-SNVBAGLBSA-N 1 0 335.437 0.746 50 0 ECAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000159334703 533837049 /nfs/dbraw/zinc/83/70/49/533837049.db2.gz MDMFDJBYHSVMMX-INIZCTEOSA-N 1 0 348.495 0.941 50 0 ECAARO CCOc1ccccc1N1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000077376813 545692000 /nfs/dbraw/zinc/69/20/00/545692000.db2.gz WHVJEZVHUZJDFU-UHFFFAOYSA-N 1 0 344.419 0.598 50 0 ECAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](CCC(=O)N3CCOCC3)C2)o1 ZINC000084258850 545710148 /nfs/dbraw/zinc/71/01/48/545710148.db2.gz INHMGBILXPIHLO-HNNXBMFYSA-N 1 0 336.436 0.738 50 0 ECAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000084736315 545713515 /nfs/dbraw/zinc/71/35/15/545713515.db2.gz VHKZXASMDVYUCH-ZFWWWQNUSA-N 1 0 339.461 0.935 50 0 ECAARO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2onc3c2CCCC3)C1 ZINC000667939209 547571940 /nfs/dbraw/zinc/57/19/40/547571940.db2.gz BHJFCFFLNRXBLV-GFCCVEGCSA-N 1 0 334.420 0.871 50 0 ECAARO CN(C)C(=O)CC[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000670454156 548014507 /nfs/dbraw/zinc/01/45/07/548014507.db2.gz WGMSXKKMVMDZOZ-AWEZNQCLSA-N 1 0 333.498 0.848 50 0 ECAARO Cc1nc(C(=O)N[C@H](CO)C[NH+]2CCCC2)nn1-c1ccc(F)cc1 ZINC000673532166 548512532 /nfs/dbraw/zinc/51/25/32/548512532.db2.gz QTHHUNXQEQIHDT-AWEZNQCLSA-N 1 0 347.394 0.901 50 0 ECAARO Cc1nnc2n1C[C@@H](C[NH+](C)C)N(C(=O)CCn1ccccc1=O)C2 ZINC000685941735 549728064 /nfs/dbraw/zinc/72/80/64/549728064.db2.gz ATOUYYYQEIJGKM-CQSZACIVSA-N 1 0 344.419 0.111 50 0 ECAARO Cc1nn(C)c(C)c1C(=O)N1Cc2nnc(C)n2C[C@@H]1C[NH+](C)C ZINC000685942725 549728416 /nfs/dbraw/zinc/72/84/16/549728416.db2.gz NIFLXBQGLTVIJG-ZDUSSCGKSA-N 1 0 331.424 0.523 50 0 ECAARO COCC1(CC(=O)NC[C@H](C[NH3+])NC(=O)CC2(COC)CC2)CC1 ZINC000888096788 586349509 /nfs/dbraw/zinc/34/95/09/586349509.db2.gz QOEKULHFABTZEP-ZDUSSCGKSA-N 1 0 341.452 0.180 50 0 ECAARO CCNC(=O)N1CCc2ccc(NC(=O)[C@H]3C[NH2+]CCN3C)cc21 ZINC000888096971 586349874 /nfs/dbraw/zinc/34/98/74/586349874.db2.gz XTCGDTLCTMRZPX-OAHLLOKOSA-N 1 0 331.420 0.621 50 0 ECAARO CC[NH+](CC)CCSCC(=O)N[C@@H](CO)[C@@H](O)c1cccnc1 ZINC000888098862 586349998 /nfs/dbraw/zinc/34/99/98/586349998.db2.gz PRAUESLIVHLUHL-HOCLYGCPSA-N 1 0 341.477 0.667 50 0 ECAARO O=C(CC[N@@H+]1C[C@@H](O)[C@@H](O)[C@@H](O)C1)Nc1cc(Cl)ccc1Cl ZINC000888101200 586350249 /nfs/dbraw/zinc/35/02/49/586350249.db2.gz QUXHTZYDRMZCCZ-DABQJJPHSA-N 1 0 349.214 0.720 50 0 ECAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000159839552 611466299 /nfs/dbraw/zinc/46/62/99/611466299.db2.gz WGXUBWFDPQGTEI-AWEZNQCLSA-N 1 0 344.463 0.972 50 0 ECAARO CCn1nccc1C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1C[NH+](C)C ZINC000169781358 609745762 /nfs/dbraw/zinc/74/57/62/609745762.db2.gz GWBVCFUNLWZZHG-ZIAGYGMSSA-N 1 0 343.435 0.489 50 0 ECAARO COc1ccc(C(=O)N2C[C@@H](CO)C3(C2)CC[NH2+]CC3)c(OC)n1 ZINC000169789401 609746571 /nfs/dbraw/zinc/74/65/71/609746571.db2.gz JMBNNHJRLLFOPN-LBPRGKRZSA-N 1 0 335.404 0.533 50 0 ECAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N[C@@H](c2cccnc2)C(F)(F)F)C1 ZINC000952967601 612139291 /nfs/dbraw/zinc/13/92/91/612139291.db2.gz IEVFYDNQUNODQS-AAEUAGOBSA-N 1 0 344.337 0.999 50 0 ECAARO CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000952977321 612139694 /nfs/dbraw/zinc/13/96/94/612139694.db2.gz PUULMUHYEKKIAG-AWEZNQCLSA-N 1 0 346.431 0.961 50 0 ECAARO c1nnnn1-c1ccc2[nH]c(-c3cn(C4CC[NH2+]CC4)nn3)nc2c1 ZINC000091847748 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C[C@H](Cn1cncn1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067804129 278222517 /nfs/dbraw/zinc/22/25/17/278222517.db2.gz PLPRQPONFZYKFM-CQSZACIVSA-N 1 0 343.435 0.377 50 0 ECAARO C[NH+](C)C1(CNC(=O)[C@H]2COCCN2CC2CCC2)CCOCC1 ZINC000187354249 289056484 /nfs/dbraw/zinc/05/64/84/289056484.db2.gz LVILVJOCXSVXAX-MRXNPFEDSA-N 1 0 339.480 0.714 50 0 ECAARO CN(CCNC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1)S(C)(=O)=O ZINC000095363653 289673435 /nfs/dbraw/zinc/67/34/35/289673435.db2.gz FUSXIMXWDIVPRD-HNNXBMFYSA-N 1 0 339.461 0.775 50 0 ECAARO [NH3+]C1(C(=O)N2CCn3nc(C(=O)NCc4ccccn4)cc3C2)CC1 ZINC000067878877 295202385 /nfs/dbraw/zinc/20/23/85/295202385.db2.gz MNDBYOSBNZNKKH-UHFFFAOYSA-N 1 0 340.387 0.042 50 0 ECAARO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(CNC2=[NH+]CCN2)cc1 ZINC000069706851 435959159 /nfs/dbraw/zinc/95/91/59/435959159.db2.gz LTGDAGVPHRDUFR-ZDUSSCGKSA-N 1 0 338.433 0.193 50 0 ECAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000069816839 435969808 /nfs/dbraw/zinc/96/98/08/435969808.db2.gz 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347.463 0.854 50 0 ECAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21c2cc(C)ccc2NC1=O ZINC000020548700 436111007 /nfs/dbraw/zinc/11/10/07/436111007.db2.gz FAHKKPNRQUGDPP-GAMKEXDWSA-N 1 0 343.383 0.382 50 0 ECAARO NS(=O)(=O)c1ccc(OCC[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000026935549 436169208 /nfs/dbraw/zinc/16/92/08/436169208.db2.gz HGPNOXRBYZZWGS-UHFFFAOYSA-N 1 0 342.417 0.552 50 0 ECAARO O[C@]1(CN2CCN(C/C=C/c3ccccc3)CC2)C[NH2+]CCOC1 ZINC000077323360 436234134 /nfs/dbraw/zinc/23/41/34/436234134.db2.gz DXDYHQMSOGSIFI-QTWIXLPOSA-N 1 0 331.460 0.668 50 0 ECAARO [NH3+]CCn1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)nn1 ZINC000077322935 436234562 /nfs/dbraw/zinc/23/45/62/436234562.db2.gz CLXZNKBPRYPGGL-GFCCVEGCSA-N 1 0 340.391 0.299 50 0 ECAARO O=C(c1ncoc1C1CC1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077421947 436236613 /nfs/dbraw/zinc/23/66/13/436236613.db2.gz ILOKWPCJKWYEMQ-QGZVFWFLSA-N 1 0 335.404 0.851 50 0 ECAARO C[C@H](Cc1cncs1)NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077437278 436237932 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[NH3+]CCn1cc(C(=O)N[C@@H]2CCCCN(C(=O)C3CCCC3)C2)nn1 ZINC000082116096 217469954 /nfs/dbraw/zinc/46/99/54/217469954.db2.gz UITGOSAUVJCNCS-CQSZACIVSA-N 1 0 348.451 0.538 50 0 ECAARO COC1CCN(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)CC1 ZINC000091434240 218004943 /nfs/dbraw/zinc/00/49/43/218004943.db2.gz WWMAWLOHJOCLTK-CVEARBPZSA-N 1 0 339.461 0.769 50 0 ECAARO O=C(C[C@H]1COCC[NH2+]1)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000091486354 218013096 /nfs/dbraw/zinc/01/30/96/218013096.db2.gz UOFKGSBJULTPDN-ZDUSSCGKSA-N 1 0 337.807 0.894 50 0 ECAARO CC[N@H+](CCO)C[C@@H]1CN(c2ncnc3onc(C)c32)C[C@@H]1CO ZINC000091574423 218023638 /nfs/dbraw/zinc/02/36/38/218023638.db2.gz WEDFJSLTEFLGEH-CHWSQXEVSA-N 1 0 335.408 0.285 50 0 ECAARO Cn1cnnc1SCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091737030 218056457 /nfs/dbraw/zinc/05/64/57/218056457.db2.gz ZWLJZGSBDXDKRM-CHWSQXEVSA-N 1 0 339.465 0.070 50 0 ECAARO [NH3+][C@H]1CN(C(=O)c2ccnc(-n3cnnn3)c2)C[C@@H]1c1ccccc1 ZINC000091987587 218099432 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CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+]CCO)c1 ZINC000006537541 435999190 /nfs/dbraw/zinc/99/91/90/435999190.db2.gz QJYCDPJZWACYBH-UHFFFAOYSA-N 1 0 329.422 0.238 50 0 ECAARO COC[C@H](C)NC(=O)C1CCN(c2nc(C)nc3c2CC[NH2+]C3)CC1 ZINC000071589408 436007848 /nfs/dbraw/zinc/00/78/48/436007848.db2.gz MKIJSCNSTWUKPE-LBPRGKRZSA-N 1 0 347.463 0.798 50 0 ECAARO Cn1ncc2c1ncnc2N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000071824690 436013494 /nfs/dbraw/zinc/01/34/94/436013494.db2.gz QKLDANKPHQEWMS-UHFFFAOYSA-N 1 0 343.435 0.498 50 0 ECAARO Cc1nn(CC(C)C)c(N(C)C)c1C[NH2+]CCCNS(C)(=O)=O ZINC000071851892 436017132 /nfs/dbraw/zinc/01/71/32/436017132.db2.gz TUMUFFHOCHBZBD-UHFFFAOYSA-N 1 0 345.513 0.942 50 0 ECAARO Cc1nc(CN2CCC[N@@H+](CCCS(=O)(=O)N(C)C)CC2)no1 ZINC000071871627 436021419 /nfs/dbraw/zinc/02/14/19/436021419.db2.gz OTIXZDNICUIOGB-UHFFFAOYSA-N 1 0 345.469 0.167 50 0 ECAARO CN1CCN(C2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)C1=O ZINC000071876962 436021454 /nfs/dbraw/zinc/02/14/54/436021454.db2.gz YRXHVSBSTBOEJZ-HZPDHXFCSA-N 1 0 341.452 0.375 50 0 ECAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CC2 ZINC000071877199 436024001 /nfs/dbraw/zinc/02/40/01/436024001.db2.gz QZGWRFWTVIZAIT-DLBZAZTESA-N 1 0 329.448 0.984 50 0 ECAARO COCC[N@H+](C)CCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000071916708 436031209 /nfs/dbraw/zinc/03/12/09/436031209.db2.gz VTTCGKRWKWOOIC-GOSISDBHSA-N 1 0 349.475 0.972 50 0 ECAARO Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CC[C@@H]([NH+](C)C)C1)C2 ZINC000072164965 436033645 /nfs/dbraw/zinc/03/36/45/436033645.db2.gz WCBXLQUGQRWKLC-CQSZACIVSA-N 1 0 346.479 0.372 50 0 ECAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000072147979 436033902 /nfs/dbraw/zinc/03/39/02/436033902.db2.gz NUVLMGJFIZJZDF-CYBMUJFWSA-N 1 0 329.400 0.877 50 0 ECAARO C[NH+](C)CCNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000009738339 436034378 /nfs/dbraw/zinc/03/43/78/436034378.db2.gz WSWJFURVQDTYHI-UHFFFAOYSA-N 1 0 344.415 0.528 50 0 ECAARO CN1CCO[C@H](C[NH2+]CC(=O)NCCOc2ccc(Cl)cc2)C1 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CC(=O)N[C@@](C)(C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)C1CC1 ZINC000069779296 277050013 /nfs/dbraw/zinc/05/00/13/277050013.db2.gz NFFJNWZZHHGELZ-CRAIPNDOSA-N 1 0 339.480 0.842 50 0 ECAARO C[N@@H+]1CCCN(CC(=O)N2CCC3(CC2)OCCC[C@H]3O)CC1 ZINC000091997368 277051312 /nfs/dbraw/zinc/05/13/12/277051312.db2.gz HOAXNWJSHJXTCC-OAHLLOKOSA-N 1 0 325.453 0.156 50 0 ECAARO CN1c2ccccc2C2(CC[NH+](C[C@]3(O)CNCCOC3)CC2)C1=O ZINC000077423560 277217433 /nfs/dbraw/zinc/21/74/33/277217433.db2.gz BIJVCIJMXJRARK-GOSISDBHSA-N 1 0 345.443 0.348 50 0 ECAARO Cc1cc(C)[n+]2c(n1)N(C)[C@H](CC1=NN3C(C)=CC(C)=N[C@H]3N1C)N2 ZINC000006825410 280379568 /nfs/dbraw/zinc/37/95/68/280379568.db2.gz IOLKKWKMKBAONJ-PBHICJAKSA-N 1 0 341.443 0.918 50 0 ECAARO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000189708405 437608213 /nfs/dbraw/zinc/60/82/13/437608213.db2.gz GZBMFWTUGIWVQO-PBHICJAKSA-N 1 0 337.489 0.988 50 0 ECAARO C[NH+](C)C1(CNC(=O)N2CCN(S(C)(=O)=O)CC2)CCCC1 ZINC000043147209 289047846 /nfs/dbraw/zinc/04/78/46/289047846.db2.gz KFMHFJGGXVIQRA-UHFFFAOYSA-N 1 0 332.470 0.148 50 0 ECAARO NS(=O)(=O)c1ccccc1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000190317611 437619627 /nfs/dbraw/zinc/61/96/27/437619627.db2.gz JVJSHTNLOZMMOE-UHFFFAOYSA-N 1 0 349.460 0.743 50 0 ECAARO O[C@H](C[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)Cn1cccn1 ZINC000069740489 435962019 /nfs/dbraw/zinc/96/20/19/435962019.db2.gz GRJQDBQUXISOOR-HUUCEWRRSA-N 1 0 346.435 0.759 50 0 ECAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)n1 ZINC000069740207 435962509 /nfs/dbraw/zinc/96/25/09/435962509.db2.gz KLGRTOPJBGFING-IAGOWNOFSA-N 1 0 337.468 0.300 50 0 ECAARO C[C@@H]1CN(c2ccc3nnnn3n2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069738266 435963318 /nfs/dbraw/zinc/96/33/18/435963318.db2.gz QNHOATLWDABEAR-HIFRSBDPSA-N 1 0 339.403 0.763 50 0 ECAARO COC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(C)cc1 ZINC000002496336 435963573 /nfs/dbraw/zinc/96/35/73/435963573.db2.gz FKMJXALNHKIDOD-GFCCVEGCSA-N 1 0 342.421 0.078 50 0 ECAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@H](O)CN3CCOCC3)C2)nn1 ZINC000069775449 435965500 /nfs/dbraw/zinc/96/55/00/435965500.db2.gz WJDDNEJDVSANSA-SJORKVTESA-N 1 0 349.479 0.379 50 0 ECAARO CC(C)(O)C[NH+]1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 ZINC000069771870 435965535 /nfs/dbraw/zinc/96/55/35/435965535.db2.gz ADYIZVNAKGNRNF-UHFFFAOYSA-N 1 0 347.415 0.900 50 0 ECAARO CS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000002944182 435971886 /nfs/dbraw/zinc/97/18/86/435971886.db2.gz QXCSOGKADLKGLF-CQSZACIVSA-N 1 0 331.482 0.650 50 0 ECAARO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC2)N1CC[NH+](C)CC1 ZINC000069973715 435978914 /nfs/dbraw/zinc/97/89/14/435978914.db2.gz PWVKIAPDPADNEN-AWEZNQCLSA-N 1 0 344.459 0.866 50 0 ECAARO CCOC(=O)c1cnn(CC[N@H+]2CCC[C@H](C(=O)OCC)C2)c1N ZINC000069976933 435980507 /nfs/dbraw/zinc/98/05/07/435980507.db2.gz ABLLUOQCNPDEBP-LBPRGKRZSA-N 1 0 338.408 0.917 50 0 ECAARO C[NH+](C)CCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000005439023 435989097 /nfs/dbraw/zinc/98/90/97/435989097.db2.gz GAEIMBNFFYFMML-UHFFFAOYSA-N 1 0 325.434 0.908 50 0 ECAARO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2Cn2nc(C)nc2C)CC1 ZINC000069624908 435950026 /nfs/dbraw/zinc/95/00/26/435950026.db2.gz WXEMQFHUXSYDAS-QGZVFWFLSA-N 1 0 348.495 0.960 50 0 ECAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-n2cnnn2)c1 ZINC000069587953 435952056 /nfs/dbraw/zinc/95/20/56/435952056.db2.gz FUFKYMDZOKEVHU-INIZCTEOSA-N 1 0 344.419 0.845 50 0 ECAARO CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CC[N@H+](C)C1)C2=O ZINC000069663203 435956816 /nfs/dbraw/zinc/95/68/16/435956816.db2.gz DGFAWMILNRJXKK-UIORMTCPSA-N 1 0 336.436 0.555 50 0 ECAARO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCO2)c(OC)c1 ZINC000006583844 436000647 /nfs/dbraw/zinc/00/06/47/436000647.db2.gz DMMWTSIUZPDQFP-UONOGXRCSA-N 1 0 339.388 0.990 50 0 ECAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]CCOCCO ZINC000006605235 436000726 /nfs/dbraw/zinc/00/07/26/436000726.db2.gz BYFHCWFJDNWDIX-AWEZNQCLSA-N 1 0 327.377 0.236 50 0 ECAARO CC[NH+](CC)CCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000006998788 436006227 /nfs/dbraw/zinc/00/62/27/436006227.db2.gz HISRPLPIFPJRIX-UHFFFAOYSA-N 1 0 331.420 0.921 50 0 ECAARO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2Cn2cncn2)C1 ZINC000071876388 436022008 /nfs/dbraw/zinc/02/20/08/436022008.db2.gz DGKCCXYJPIGYLJ-HZPDHXFCSA-N 1 0 348.451 0.260 50 0 ECAARO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000071871714 436022583 /nfs/dbraw/zinc/02/25/83/436022583.db2.gz SWRCIWGYCCOMEC-DGCLKSJQSA-N 1 0 343.387 0.616 50 0 ECAARO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)CCO1 ZINC000071878832 436023557 /nfs/dbraw/zinc/02/35/57/436023557.db2.gz BJZBSTAYISSHEP-MRXNPFEDSA-N 1 0 330.432 0.885 50 0 ECAARO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000071880845 436024404 /nfs/dbraw/zinc/02/44/04/436024404.db2.gz KNISOHFKZCGVLC-INIZCTEOSA-N 1 0 335.448 0.964 50 0 ECAARO O=C(C[NH2+]CCn1cccn1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000071879209 436024471 /nfs/dbraw/zinc/02/44/71/436024471.db2.gz LPQAWIMPHVLBRS-GFCCVEGCSA-N 1 0 333.358 0.473 50 0 ECAARO CCCCC[N@H+](CCO)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000071902325 436026683 /nfs/dbraw/zinc/02/66/83/436026683.db2.gz FXBAZCHYMQQKKT-GFCCVEGCSA-N 1 0 327.425 0.989 50 0 ECAARO C[N@@H+]1CCCN(CCCNC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000071920356 436030958 /nfs/dbraw/zinc/03/09/58/436030958.db2.gz HJLDBCQGOLLUAS-UHFFFAOYSA-N 1 0 336.411 0.908 50 0 ECAARO Cc1nnnn1-c1cccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000072144560 436034200 /nfs/dbraw/zinc/03/42/00/436034200.db2.gz VQBHWVZEJUVELY-INIZCTEOSA-N 1 0 330.392 0.109 50 0 ECAARO CC[NH+](CC)[C@@H]1CCN(c2nc3nonc3nc2N2CCOCC2)C1 ZINC000011844628 436048162 /nfs/dbraw/zinc/04/81/62/436048162.db2.gz SAEOFZBHXPZPJE-GFCCVEGCSA-N 1 0 347.423 0.770 50 0 ECAARO CN(CC1CCOCC1)C(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000014955595 436077132 /nfs/dbraw/zinc/07/71/32/436077132.db2.gz XQWAWZRHPCNFOG-OAHLLOKOSA-N 1 0 325.453 0.672 50 0 ECAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000075133576 436152632 /nfs/dbraw/zinc/15/26/32/436152632.db2.gz DWFCZAWXCKMNJV-DLBZAZTESA-N 1 0 347.463 0.854 50 0 ECAARO Cc1onc2c1c(C)nn(CCC(=O)NCCC[NH+]1CCCC1)c2=O ZINC000075403129 436159924 /nfs/dbraw/zinc/15/99/24/436159924.db2.gz AXRDMYJMRAIGGJ-UHFFFAOYSA-N 1 0 347.419 0.994 50 0 ECAARO Cc1onc2c1c(C)nn(CCC(=O)NCC[NH+]1CCCCC1)c2=O ZINC000075403109 436160027 /nfs/dbraw/zinc/16/00/27/436160027.db2.gz UHEBAYYSQQRRQB-UHFFFAOYSA-N 1 0 347.419 0.994 50 0 ECAARO Cc1nc(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)cc(=O)[nH]1 ZINC000077439423 436238981 /nfs/dbraw/zinc/23/89/81/436238981.db2.gz NESOXSASXJGOAO-GFCCVEGCSA-N 1 0 345.407 0.132 50 0 ECAARO CC[N@H+](CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)C1CC1 ZINC000029914149 436213260 /nfs/dbraw/zinc/21/32/60/436213260.db2.gz VQHCEDMLMLRDKQ-UHFFFAOYSA-N 1 0 343.435 0.496 50 0 ECAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccccc1 ZINC000034065329 436252917 /nfs/dbraw/zinc/25/29/17/436252917.db2.gz IPRYZUVUMQMFDV-GJZGRUSLSA-N 1 0 344.415 0.640 50 0 ECAARO CNS(=O)(=O)c1cc(/C=C\C(=O)N2CC[NH2+]CC2)ccc1OC ZINC000493662524 301546603 /nfs/dbraw/zinc/54/66/03/301546603.db2.gz POLBRVUIHVVDJJ-XQRVVYSFSA-N 1 0 339.417 0.048 50 0 ECAARO CS(=O)(=O)N1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000044891324 436350806 /nfs/dbraw/zinc/35/08/06/436350806.db2.gz DXUCWXQQUJUVAA-UHFFFAOYSA-N 1 0 332.470 0.149 50 0 ECAARO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045085595 436360833 /nfs/dbraw/zinc/36/08/33/436360833.db2.gz BMUGVCLHQBHKJC-UHFFFAOYSA-N 1 0 334.420 0.391 50 0 ECAARO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000084789334 436386556 /nfs/dbraw/zinc/38/65/56/436386556.db2.gz OPSLFGCYYMRXJP-HZPDHXFCSA-N 1 0 326.485 0.674 50 0 ECAARO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H](C(N)=O)C2)cc1OC ZINC000048034566 436438977 /nfs/dbraw/zinc/43/89/77/436438977.db2.gz GLVBPVFTDQXBMB-ZDUSSCGKSA-N 1 0 335.404 0.170 50 0 ECAARO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@H](C(N)=O)C1)CC2 ZINC000048034339 436439408 /nfs/dbraw/zinc/43/94/08/436439408.db2.gz ISOMRNQKVMFCEE-ZDUSSCGKSA-N 1 0 347.415 0.396 50 0 ECAARO CS(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091254553 436448630 /nfs/dbraw/zinc/44/86/30/436448630.db2.gz QESDJUBMRSCUFM-INIZCTEOSA-N 1 0 344.477 0.525 50 0 ECAARO COCC[N@@H+]1CCCN(C(=O)Cn2c3ccccc3n(C)c2=O)CC1 ZINC000048368823 436450905 /nfs/dbraw/zinc/45/09/05/436450905.db2.gz KPMDLOKCFKGFGK-UHFFFAOYSA-N 1 0 346.431 0.521 50 0 ECAARO [NH3+][C@@H](CO)C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 ZINC000091547591 436452626 /nfs/dbraw/zinc/45/26/26/436452626.db2.gz SVNKAFWAMCLPQS-HNNXBMFYSA-N 1 0 329.404 0.352 50 0 ECAARO COCCN1CCC[C@]2(CC[N@H+](CC(=O)Nc3ccn(C)n3)C2)C1=O ZINC000091617108 436455258 /nfs/dbraw/zinc/45/52/58/436455258.db2.gz QIKNVTYHINWAEN-QGZVFWFLSA-N 1 0 349.435 0.320 50 0 ECAARO CNC(=O)NCC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000090060405 436428101 /nfs/dbraw/zinc/42/81/01/436428101.db2.gz QZLTUKKTZLCOFW-OKILXGFUSA-N 1 0 340.468 0.653 50 0 ECAARO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O 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0.778 50 0 ECAARO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](CN2CCOCC2)C(C)C)CC1 ZINC000095941474 436500552 /nfs/dbraw/zinc/50/05/52/436500552.db2.gz SIJXCTCWOKJYEQ-DLBZAZTESA-N 1 0 340.512 0.485 50 0 ECAARO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000095972582 436501236 /nfs/dbraw/zinc/50/12/36/436501236.db2.gz XFJGLVNLPQBIEV-VIFPVBQESA-N 1 0 336.410 0.212 50 0 ECAARO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cncc(F)c2)CC1 ZINC000095961884 436501439 /nfs/dbraw/zinc/50/14/39/436501439.db2.gz BAAPZKIUDFBJFZ-CYBMUJFWSA-N 1 0 344.456 0.773 50 0 ECAARO CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000096441419 436532867 /nfs/dbraw/zinc/53/28/67/436532867.db2.gz NRQVJLUEDSPRGC-ZDUSSCGKSA-N 1 0 326.466 0.758 50 0 ECAARO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000097200598 436540953 /nfs/dbraw/zinc/54/09/53/436540953.db2.gz GTWWLZZKAISJKJ-INIZCTEOSA-N 1 0 345.447 0.506 50 0 ECAARO O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NC(=O)NCc1ccco1 ZINC000109757943 436625459 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C[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(OCC(N)=O)CC1 ZINC000069416969 436772671 /nfs/dbraw/zinc/77/26/71/436772671.db2.gz ONXNZENJTHEQCW-ZDUSSCGKSA-N 1 0 326.441 0.537 50 0 ECAARO CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069491805 436776015 /nfs/dbraw/zinc/77/60/15/436776015.db2.gz NGBFSMXLDKJGMN-CQSZACIVSA-N 1 0 329.404 0.898 50 0 ECAARO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000069491806 436776096 /nfs/dbraw/zinc/77/60/96/436776096.db2.gz NGBFSMXLDKJGMN-AWEZNQCLSA-N 1 0 329.404 0.898 50 0 ECAARO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125863461 436778610 /nfs/dbraw/zinc/77/86/10/436778610.db2.gz LCOIACODADWFOQ-JTQLQIEISA-N 1 0 331.420 0.631 50 0 ECAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(N2CCNC2=O)CC1 ZINC000069560263 436780811 /nfs/dbraw/zinc/78/08/11/436780811.db2.gz GTLHQHILHAVSEE-GOSISDBHSA-N 1 0 346.475 0.969 50 0 ECAARO CN(CC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000252549899 436838829 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C[NH+]1CCN(c2ncccc2CNC(=O)NCC(F)(F)CO)CC1 ZINC000184683704 437408447 /nfs/dbraw/zinc/40/84/47/437408447.db2.gz QDCWQAXFZSTGSB-UHFFFAOYSA-N 1 0 343.378 0.260 50 0 ECAARO OCC[NH2+]C1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1 ZINC000357461967 437992639 /nfs/dbraw/zinc/99/26/39/437992639.db2.gz STVVLRXNXXMHIY-OAHLLOKOSA-N 1 0 335.452 0.379 50 0 ECAARO CCNC(=O)[C@@H]1CCN(C(=O)c2ccc(OCC[NH3+])c(OC)c2)C1 ZINC000426431707 438058896 /nfs/dbraw/zinc/05/88/96/438058896.db2.gz DAWDWJVBWZYWFB-CYBMUJFWSA-N 1 0 335.404 0.631 50 0 ECAARO CCc1noc([C@H](C)NC(=O)N2CCC([N@H+](C)CCO)CC2)n1 ZINC000426445187 438059151 /nfs/dbraw/zinc/05/91/51/438059151.db2.gz XOWCIKSJZLBRTR-NSHDSACASA-N 1 0 325.413 0.791 50 0 ECAARO CN(CCO)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000426494371 438063355 /nfs/dbraw/zinc/06/33/55/438063355.db2.gz SICSYLNCIIUJDD-URSIVYNOSA-N 1 0 344.459 0.188 50 0 ECAARO Cc1nc(SCCNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000426746096 438073974 /nfs/dbraw/zinc/07/39/74/438073974.db2.gz 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CC[N@@H+]1CCCN(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@@H](C)C1 ZINC000583650865 439494622 /nfs/dbraw/zinc/49/46/22/439494622.db2.gz ATQJGZFHYMHIHE-LBPRGKRZSA-N 1 0 342.465 0.490 50 0 ECAARO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)[C@H](C)C1 ZINC000583650863 439494693 /nfs/dbraw/zinc/49/46/93/439494693.db2.gz ATQJGZFHYMHIHE-GFCCVEGCSA-N 1 0 342.465 0.490 50 0 ECAARO COc1cc(S(=O)(=O)NC[C@@]2(O)CCC[NH2+]C2)c(OC)cc1C ZINC000534649985 439531520 /nfs/dbraw/zinc/53/15/20/439531520.db2.gz SOQFJODIUHACAP-OAHLLOKOSA-N 1 0 344.433 0.405 50 0 ECAARO CN(C)S(=O)(=O)CCCSc1nnc([C@@H]2CCC[NH2+]C2)n1C ZINC000534642172 439532328 /nfs/dbraw/zinc/53/23/28/439532328.db2.gz ZREZYKMUKRTPBE-LLVKDONJSA-N 1 0 347.510 0.656 50 0 ECAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)N1CCCNC(=O)C1 ZINC000534674040 439534482 /nfs/dbraw/zinc/53/44/82/439534482.db2.gz KHZXLVUEKBWHNG-UHFFFAOYSA-N 1 0 346.431 0.888 50 0 ECAARO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)ccn1 ZINC000585141201 439633718 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0.839 50 0 ECAARO O=C(CCN1CCCCCC1=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000670443555 548012272 /nfs/dbraw/zinc/01/22/72/548012272.db2.gz UUCOYQQHJOMHLK-HNNXBMFYSA-N 1 0 325.453 0.742 50 0 ECAARO O=C(NCc1noc(-c2ccccc2F)n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000684154434 549568497 /nfs/dbraw/zinc/56/84/97/549568497.db2.gz SXVXFNRRTVRGHH-CQSZACIVSA-N 1 0 345.378 0.882 50 0 ECAARO C[C@@H]1CN(CCO)CCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685942470 549728857 /nfs/dbraw/zinc/72/88/57/549728857.db2.gz RFOFLRZHUOZORM-CYBMUJFWSA-N 1 0 335.452 0.358 50 0 ECAARO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC[C@](O)(Cn3ccnn3)C2)C1=O ZINC000585081579 586779321 /nfs/dbraw/zinc/77/93/21/586779321.db2.gz RRWWSTVCYWQSCZ-RHSMWYFYSA-N 1 0 335.452 0.752 50 0 ECAARO CCNC(=O)N1CCc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc21 ZINC000852846264 589517318 /nfs/dbraw/zinc/51/73/18/589517318.db2.gz SSYICNPNLSYYNE-GFCCVEGCSA-N 1 0 331.376 0.821 50 0 ECAARO O=C(c1ccc(N2CCCC2)nn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178104616 608948238 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CC[NH+]1CCN(CC(=O)Nc2ccc(NC(=O)COC)cc2)CC1 ZINC000081246491 612170676 /nfs/dbraw/zinc/17/06/76/612170676.db2.gz NNGBKMAXDVFQAL-UHFFFAOYSA-N 1 0 334.420 0.848 50 0 ECAARO Cn1cc(/C=C/C(=O)N2CCC[C@@H](Cn3cc(C[NH3+])nn3)C2)cn1 ZINC000023128790 736235334 /nfs/dbraw/zinc/23/53/34/736235334.db2.gz JSFSEFQXBCBFBI-ISZGNANSSA-N 1 0 329.408 0.422 50 0 ECAARO O[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000023375225 738252910 /nfs/dbraw/zinc/25/29/10/738252910.db2.gz WHHPTQQLIOCFHV-ROUUACIJSA-N 1 0 339.443 0.844 50 0 ECAARO COc1c[nH]c(C(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)cc1=O ZINC000426488518 753134710 /nfs/dbraw/zinc/13/47/10/753134710.db2.gz UJTDCCKVUIFYCO-CYBMUJFWSA-N 1 0 335.404 0.710 50 0 ECAARO COCC[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2nnc(C)o2)C1 ZINC000426494495 753137352 /nfs/dbraw/zinc/13/73/52/753137352.db2.gz YPUIMRYETWQMJP-CYBMUJFWSA-N 1 0 325.413 0.878 50 0 ECAARO Cn1ccnc1[C@H](NC(=O)C[N@@H+]1CC[C@H](C(N)=O)C1)c1ccccc1 ZINC000052960964 214157815 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CCN(Cc1ccncc1)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)COC)C2 ZINC000065385475 214884435 /nfs/dbraw/zinc/88/44/35/214884435.db2.gz SPLPUENMZQPYAK-CRAIPNDOSA-N 1 0 346.431 0.125 50 0 ECAARO CC[C@@]1(O)CCN(C(=O)CC2=CSC3=NCCCN23)C[C@H]1O ZINC000102702629 219223874 /nfs/dbraw/zinc/22/38/74/219223874.db2.gz HMYXNEPSNCHVFH-IUODEOHRSA-N 1 0 325.434 0.761 50 0 ECAARO CCn1cc2[nH]c(OC)c(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc-2c1=O ZINC000102844013 219235081 /nfs/dbraw/zinc/23/50/81/219235081.db2.gz BRNIQYCDKPNZCE-IMRBUKKESA-N 1 0 330.388 0.148 50 0 ECAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cccnc1 ZINC000067642299 215172459 /nfs/dbraw/zinc/17/24/59/215172459.db2.gz OUBAHSFMIBEYSJ-YPMHNXCESA-N 1 0 326.422 0.040 50 0 ECAARO C[NH2+]CCNC[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067783831 215210989 /nfs/dbraw/zinc/21/09/89/215210989.db2.gz BYHIZJMIPIOWRA-QGZVFWFLSA-N 1 0 339.411 0.497 50 0 ECAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(-n3cnnn3)ccc2O)C1 ZINC000067852330 215231386 /nfs/dbraw/zinc/23/13/86/215231386.db2.gz DREHHTJWDJIZMA-LBPRGKRZSA-N 1 0 330.392 0.830 50 0 ECAARO CCn1cc(NC(=O)C2CC[NH+](CC(=O)N3CCOCC3)CC2)cn1 ZINC000069347279 215380548 /nfs/dbraw/zinc/38/05/48/215380548.db2.gz MWJFFDKYZUIYCW-UHFFFAOYSA-N 1 0 349.435 0.412 50 0 ECAARO CCn1ccnc1CN1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000069386794 215397183 /nfs/dbraw/zinc/39/71/83/215397183.db2.gz TWPHJRCUNVTEJU-UHFFFAOYSA-N 1 0 335.452 0.270 50 0 ECAARO CN(CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC000072142094 216027575 /nfs/dbraw/zinc/02/75/75/216027575.db2.gz FLSJOLATWPYKLU-CQSZACIVSA-N 1 0 345.451 0.461 50 0 ECAARO O=C(c1cc(NCC[N@H+]2CCCC[C@@H]2CO)ccn1)N1CCOCC1 ZINC000072133523 216022465 /nfs/dbraw/zinc/02/24/65/216022465.db2.gz ISVPJLZTRQTGMS-MRXNPFEDSA-N 1 0 348.447 0.813 50 0 ECAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000072149210 216036659 /nfs/dbraw/zinc/03/66/59/216036659.db2.gz ZPZOTNTXAUXILG-QGZVFWFLSA-N 1 0 344.419 0.581 50 0 ECAARO Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCC[C@H]([NH3+])CC1 ZINC000072157276 216047520 /nfs/dbraw/zinc/04/75/20/216047520.db2.gz YOPBZBAOMGALAT-AWEZNQCLSA-N 1 0 332.452 0.490 50 0 ECAARO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000072164372 216053015 /nfs/dbraw/zinc/05/30/15/216053015.db2.gz RGZOGCQFWFGUFP-MRXNPFEDSA-N 1 0 326.462 0.979 50 0 ECAARO O=C(NC1CC1)[C@H]1CN(Cc2cnc(-c3ccccn3)nc2)CC[NH2+]1 ZINC000072170081 216061684 /nfs/dbraw/zinc/06/16/84/216061684.db2.gz XSVHFBZBWXOLLN-MRXNPFEDSA-N 1 0 338.415 0.591 50 0 ECAARO O=C(CCn1cnnn1)N[C@H]1CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000072407117 216198071 /nfs/dbraw/zinc/19/80/71/216198071.db2.gz KXXJCBLJMKKZLU-CVEARBPZSA-N 1 0 326.404 0.467 50 0 ECAARO COCCN1C[C@H](C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)CC1=O ZINC000072429585 216222638 /nfs/dbraw/zinc/22/26/38/216222638.db2.gz JOYRMJILMCGYMV-CYBMUJFWSA-N 1 0 346.431 0.147 50 0 ECAARO C[C@H](C1CCN(C(=O)CCc2nncn2C)CC1)[NH+]1CCOCC1 ZINC000072427373 216218150 /nfs/dbraw/zinc/21/81/50/216218150.db2.gz ACHYLYXLZUCPBO-CQSZACIVSA-N 1 0 335.452 0.707 50 0 ECAARO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072453891 216240608 /nfs/dbraw/zinc/24/06/08/216240608.db2.gz JAKDXKBSGJJMIF-MRXNPFEDSA-N 1 0 330.432 0.835 50 0 ECAARO O=C1CC[C@H]2C[N@H+](C(CO)CO)CC[C@H]2N1CCc1ccccc1 ZINC000072456873 216242365 /nfs/dbraw/zinc/24/23/65/216242365.db2.gz PXDRXWGHIGVPCA-FUHWJXTLSA-N 1 0 332.444 0.895 50 0 ECAARO Cc1cc(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c(=O)[nH]1 ZINC000072459073 216243750 /nfs/dbraw/zinc/24/37/50/216243750.db2.gz ITSBPPDQLHACDP-UONOGXRCSA-N 1 0 346.431 0.404 50 0 ECAARO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)o1 ZINC000072475346 216253305 /nfs/dbraw/zinc/25/33/05/216253305.db2.gz OQWCCBWFYOWQGZ-DZGCQCFKSA-N 1 0 348.447 0.753 50 0 ECAARO C[C@@H](C(=O)NC1CC1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000022593021 212309015 /nfs/dbraw/zinc/30/90/15/212309015.db2.gz VWFXURSKTSDKTC-DOTOQJQBSA-N 1 0 347.459 0.711 50 0 ECAARO Cc1ccc2c(c1)CCCN2C(=O)CN1CC[N@H+](CCO)C[C@@H](O)C1 ZINC000216909695 241220011 /nfs/dbraw/zinc/22/00/11/241220011.db2.gz STJFZBPOYMNZRX-QGZVFWFLSA-N 1 0 347.459 0.245 50 0 ECAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000221416086 241470078 /nfs/dbraw/zinc/47/00/78/241470078.db2.gz DQLLDWJRNSLJPJ-UHFFFAOYSA-N 1 0 343.387 0.130 50 0 ECAARO COc1ccc(OCc2cn(CC(=O)NCC[NH+](C)C)nn2)cc1 ZINC000227167931 242127409 /nfs/dbraw/zinc/12/74/09/242127409.db2.gz IGPLWSNSJADBPR-UHFFFAOYSA-N 1 0 333.392 0.544 50 0 ECAARO C[NH+](C)[C@H]1CCN(CC(=O)NCCn2ncc3ccccc3c2=O)C1 ZINC000244794905 243085197 /nfs/dbraw/zinc/08/51/97/243085197.db2.gz QWBCDSWSEYKDIL-HNNXBMFYSA-N 1 0 343.431 0.149 50 0 ECAARO CCc1nc(C)c(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077406258 216896699 /nfs/dbraw/zinc/89/66/99/216896699.db2.gz IVKGJFMYISDPFZ-KRWDZBQOSA-N 1 0 337.420 0.845 50 0 ECAARO C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCCCN3CC[NH+](C)CC3)cc2C1 ZINC000049551166 214019243 /nfs/dbraw/zinc/01/92/43/214019243.db2.gz PTLMOAYOKCMLDG-CQSZACIVSA-N 1 0 346.475 0.867 50 0 ECAARO CC[NH+]1CCN(CCNC(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 ZINC000078394440 217047024 /nfs/dbraw/zinc/04/70/24/217047024.db2.gz JROWQRWUWLNJQU-UHFFFAOYSA-N 1 0 342.447 0.943 50 0 ECAARO COc1ccc(C[NH2+]CCS(=O)(=O)N2CCOCC2)c(OC)c1 ZINC000078553490 217075711 /nfs/dbraw/zinc/07/57/11/217075711.db2.gz HAEGSUAYYWZNBR-UHFFFAOYSA-N 1 0 344.433 0.455 50 0 ECAARO Cc1c(C)n(C[C@H](O)C[NH2+]C(CO)(CO)CO)c2ccc(F)cc12 ZINC000012422009 211376767 /nfs/dbraw/zinc/37/67/67/211376767.db2.gz VLJOINRQZURMIP-CQSZACIVSA-N 1 0 340.395 0.063 50 0 ECAARO COCC[N@@H+]1C[C@H](NC(=O)CCc2nc(Cl)n[nH]2)[C@@H](C2CC2)C1 ZINC000091625968 218034164 /nfs/dbraw/zinc/03/41/64/218034164.db2.gz YDOGJLALLYTMMV-NEPJUHHUSA-N 1 0 341.843 0.864 50 0 ECAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000091586751 218026125 /nfs/dbraw/zinc/02/61/25/218026125.db2.gz JWCLRDDWKWTVHU-OAHLLOKOSA-N 1 0 345.443 0.694 50 0 ECAARO C[N@@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@]12CCNC(=O)CC2 ZINC000091603084 218029972 /nfs/dbraw/zinc/02/99/72/218029972.db2.gz UAPWWZWQXFSLFK-SFHVURJKSA-N 1 0 345.447 0.715 50 0 ECAARO Cn1ccc2ccc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCO)C3)cc21 ZINC000091690613 218048657 /nfs/dbraw/zinc/04/86/57/218048657.db2.gz CEPGVYVDYXQITJ-IAGOWNOFSA-N 1 0 345.443 0.783 50 0 ECAARO CCCc1cc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)n(C)n1 ZINC000091694358 218049313 /nfs/dbraw/zinc/04/93/13/218049313.db2.gz KLJWZDLJUCMYNL-GOSISDBHSA-N 1 0 347.463 0.799 50 0 ECAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)C1 ZINC000091664215 218043052 /nfs/dbraw/zinc/04/30/52/218043052.db2.gz NKYXQHOBZHIQNE-CYBMUJFWSA-N 1 0 334.424 0.210 50 0 ECAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)on1 ZINC000091746488 218058265 /nfs/dbraw/zinc/05/82/65/218058265.db2.gz RASLYIANYFOFGK-HUUCEWRRSA-N 1 0 336.436 0.301 50 0 ECAARO Cc1ccc2c(c1)c(CNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)nn2C ZINC000091820234 218071865 /nfs/dbraw/zinc/07/18/65/218071865.db2.gz WFARAAJEQLQUGZ-ZDUSSCGKSA-N 1 0 343.431 0.695 50 0 ECAARO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091892699 218084839 /nfs/dbraw/zinc/08/48/39/218084839.db2.gz CXQBXGILGNRATM-GXTWGEPZSA-N 1 0 332.404 0.485 50 0 ECAARO O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)N1CCOCC1 ZINC000091907713 218087010 /nfs/dbraw/zinc/08/70/10/218087010.db2.gz PETPIIDYIRMZCU-FUHWJXTLSA-N 1 0 344.459 0.837 50 0 ECAARO O=C(C[C@H]1C[NH2+]CCO1)NCCNC(=O)c1ccccc1Cl ZINC000097295058 219009845 /nfs/dbraw/zinc/00/98/45/219009845.db2.gz KPNYJWYIGZCBEY-NSHDSACASA-N 1 0 325.796 0.565 50 0 ECAARO Cc1cc(N)n(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000299776138 258086465 /nfs/dbraw/zinc/08/64/65/258086465.db2.gz KPJAFGZAXXOFJV-UHFFFAOYSA-N 1 0 328.420 0.950 50 0 ECAARO Cc1cc(=O)cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n1C ZINC000299787964 258094250 /nfs/dbraw/zinc/09/42/50/258094250.db2.gz UFYKNHRAOARCSD-OAHLLOKOSA-N 1 0 333.432 0.755 50 0 ECAARO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[NH2+]CC2 ZINC000299802800 258105701 /nfs/dbraw/zinc/10/57/01/258105701.db2.gz QAFYHPCZSWMEJG-UHFFFAOYSA-N 1 0 348.428 0.731 50 0 ECAARO COCC[NH+]1CCN(Cc2cnc(NC[C@H]3CCCO3)nc2)CC1 ZINC000215958919 258072357 /nfs/dbraw/zinc/07/23/57/258072357.db2.gz PGDYHNRUPREULJ-MRXNPFEDSA-N 1 0 335.452 0.832 50 0 ECAARO NC(=O)[C@H]1CCC[N@H+](CCNC(=O)Nc2cccc3c[nH]nc32)C1 ZINC000299763011 258079154 /nfs/dbraw/zinc/07/91/54/258079154.db2.gz ODTCVAISZXGAGA-LBPRGKRZSA-N 1 0 330.392 0.882 50 0 ECAARO CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237420552 295561470 /nfs/dbraw/zinc/56/14/70/295561470.db2.gz LWDPSYGNJVYSKR-WDEREUQCSA-N 1 0 332.447 0.496 50 0 ECAARO COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000332981637 297096688 /nfs/dbraw/zinc/09/66/88/297096688.db2.gz OBUZQLGZAUZDJO-LVQVYYBASA-N 1 0 341.452 0.685 50 0 ECAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000072286564 300316265 /nfs/dbraw/zinc/31/62/65/300316265.db2.gz UWUNAELSTACKNV-GXTWGEPZSA-N 1 0 349.456 0.830 50 0 ECAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)on1 ZINC000069739207 435962926 /nfs/dbraw/zinc/96/29/26/435962926.db2.gz TYTCZTZMMXPEOH-GFCCVEGCSA-N 1 0 334.380 0.867 50 0 ECAARO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@H]1c1ccccc1 ZINC000002323655 435964748 /nfs/dbraw/zinc/96/47/48/435964748.db2.gz DFMGFUKBAFQTGG-KBPBESRZSA-N 1 0 331.372 0.725 50 0 ECAARO CNC(=O)COc1ccccc1C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000069778356 435965312 /nfs/dbraw/zinc/96/53/12/435965312.db2.gz JZYFOQIEKSNTAN-CQSZACIVSA-N 1 0 329.404 0.816 50 0 ECAARO C[C@@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)[C@H](C)n1cccn1 ZINC000069981541 435982815 /nfs/dbraw/zinc/98/28/15/435982815.db2.gz KYFWLGVVIXLJAO-CABCVRRESA-N 1 0 337.468 0.649 50 0 ECAARO c1ccc(Nc2nc(N3CC[NH2+]CC3)nc(N3CCOCC3)n2)cc1 ZINC000000269416 435951990 /nfs/dbraw/zinc/95/19/90/435951990.db2.gz VWXIJCRXGJVNDM-UHFFFAOYSA-N 1 0 341.419 0.861 50 0 ECAARO C[C@@H](C(=O)Nc1ncccn1)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069628012 435954239 /nfs/dbraw/zinc/95/42/39/435954239.db2.gz XGPRVRBEKXGCIL-UONOGXRCSA-N 1 0 335.452 0.828 50 0 ECAARO CC(C)(C)[C@H](O)C[NH+]1CCN(CC(=O)NC2CCOCC2)CC1 ZINC000069667892 435956214 /nfs/dbraw/zinc/95/62/14/435956214.db2.gz GAYALKAHWJHDRA-OAHLLOKOSA-N 1 0 327.469 0.306 50 0 ECAARO CO[C@H]1CN(C(=O)Cc2ccc(N3CCNC3=O)cc2)CC[C@H]1[NH3+] ZINC000071730459 436008960 /nfs/dbraw/zinc/00/89/60/436008960.db2.gz SGKHWLPRCZXOKP-CABCVRRESA-N 1 0 332.404 0.333 50 0 ECAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)CC[NH3+] ZINC000071759046 436010087 /nfs/dbraw/zinc/01/00/87/436010087.db2.gz AXTHYPGHUOVKOY-UHFFFAOYSA-N 1 0 332.404 0.954 50 0 ECAARO COC(=O)CNc1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2 ZINC000071753646 436010129 /nfs/dbraw/zinc/01/01/29/436010129.db2.gz BOYUYYNCHVWROF-UHFFFAOYSA-N 1 0 341.371 0.473 50 0 ECAARO Cc1cccn2c(=O)cc(CN3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)nc12 ZINC000071864272 436018374 /nfs/dbraw/zinc/01/83/74/436018374.db2.gz FZMJLPQCOCJHIP-HUUCEWRRSA-N 1 0 330.432 0.890 50 0 ECAARO Cc1nc(CN2CCC[C@H]([NH2+]CC(=O)NCc3ccco3)C2)no1 ZINC000071870565 436021957 /nfs/dbraw/zinc/02/19/57/436021957.db2.gz LLKLHTYNHQBBJV-ZDUSSCGKSA-N 1 0 333.392 0.841 50 0 ECAARO CC[N@H+](CCO)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000008395499 436028228 /nfs/dbraw/zinc/02/82/28/436028228.db2.gz DMTFYULSARXERR-ZDUSSCGKSA-N 1 0 327.377 0.536 50 0 ECAARO CCOC(=O)CCCS(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC000071893101 436029173 /nfs/dbraw/zinc/02/91/73/436029173.db2.gz YPKGFPWSBLVFLK-UHFFFAOYSA-N 1 0 349.497 0.277 50 0 ECAARO CCN(C[C@H]1CCOC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000071920331 436029974 /nfs/dbraw/zinc/02/99/74/436029974.db2.gz JHEKMXOICWAFTL-CABCVRRESA-N 1 0 340.468 0.642 50 0 ECAARO Cn1c2ccc(S(=O)(=O)NCC[NH2+]C(C)(C)C)cc2oc1=O ZINC000071921609 436031086 /nfs/dbraw/zinc/03/10/86/436031086.db2.gz MAJJIWQDGQKAGD-UHFFFAOYSA-N 1 0 327.406 0.798 50 0 ECAARO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000072290629 436038310 /nfs/dbraw/zinc/03/83/10/436038310.db2.gz SXYFUHJUZNWZSS-GOSISDBHSA-N 1 0 344.415 0.953 50 0 ECAARO C[N@@H+]1CCCC[C@H]1CNc1nc2nonc2nc1N1CCOCC1 ZINC000019742738 436106974 /nfs/dbraw/zinc/10/69/74/436106974.db2.gz WZSUYMJROLAZSL-NSHDSACASA-N 1 0 333.396 0.746 50 0 ECAARO CC1CCN(Cc2nnnn2CC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000014975522 436075961 /nfs/dbraw/zinc/07/59/61/436075961.db2.gz OJBXCBZIOZDSRV-CQSZACIVSA-N 1 0 335.456 0.068 50 0 ECAARO Cc1cnn(CC[NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000075131686 436151406 /nfs/dbraw/zinc/15/14/06/436151406.db2.gz QYWGRWLFQBTYEH-UHFFFAOYSA-N 1 0 348.407 0.067 50 0 ECAARO C[C@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)C[C@@H]1[NH+](C)C ZINC000076050785 436187824 /nfs/dbraw/zinc/18/78/24/436187824.db2.gz PTVAZXADGMIGDE-WFASDCNBSA-N 1 0 329.404 0.590 50 0 ECAARO CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000076046957 436185770 /nfs/dbraw/zinc/18/57/70/436185770.db2.gz XIXWNJLIBSHMCD-CZUORRHYSA-N 1 0 347.463 0.949 50 0 ECAARO O=C(CN1CCC[C@H]1c1nc(-c2ccccn2)no1)N1CC[NH2+]CC1 ZINC000077419519 436236155 /nfs/dbraw/zinc/23/61/55/436236155.db2.gz HJWQDPODNPZCDJ-AWEZNQCLSA-N 1 0 342.403 0.700 50 0 ECAARO [NH3+]CCn1cc(C(=O)NCc2noc(Cc3ccccc3)n2)nn1 ZINC000077425830 436236918 /nfs/dbraw/zinc/23/69/18/436236918.db2.gz LGLLHCLCWHMBSQ-UHFFFAOYSA-N 1 0 327.348 0.141 50 0 ECAARO O=C(CN1C(=O)NC2(CC[NH2+]CC2)C1=O)N1CCc2ccccc21 ZINC000077486067 436239738 /nfs/dbraw/zinc/23/97/38/436239738.db2.gz TUJPQIITBFOMCQ-UHFFFAOYSA-N 1 0 328.372 0.250 50 0 ECAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2C)CC1 ZINC000076055443 436188597 /nfs/dbraw/zinc/18/85/97/436188597.db2.gz XPDYTOILWRYMEF-KSSFIOAISA-N 1 0 344.459 0.770 50 0 ECAARO Cn1c(=O)ccn(CC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1=O ZINC000032731979 436243380 /nfs/dbraw/zinc/24/33/80/436243380.db2.gz DTRSZMXRDQICNB-AWEZNQCLSA-N 1 0 348.378 0.105 50 0 ECAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccccc1 ZINC000034065328 436253458 /nfs/dbraw/zinc/25/34/58/436253458.db2.gz IPRYZUVUMQMFDV-CABCVRRESA-N 1 0 344.415 0.640 50 0 ECAARO CC[NH+]1CCN(CCCNC(=O)c2cnc3sccn3c2=O)CC1 ZINC000041442202 436277728 /nfs/dbraw/zinc/27/77/28/436277728.db2.gz FBZXFVIFHQAXQB-UHFFFAOYSA-N 1 0 349.460 0.513 50 0 ECAARO O=C(c1ccc(-n2cnnc2)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000078788913 436278772 /nfs/dbraw/zinc/27/87/72/436278772.db2.gz BKOGVOYIDALASP-SJORKVTESA-N 1 0 341.415 0.939 50 0 ECAARO Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000078896553 436283342 /nfs/dbraw/zinc/28/33/42/436283342.db2.gz QVOADKASIRTTFY-JSGCOSHPSA-N 1 0 339.461 0.973 50 0 ECAARO C[NH+](C)C1(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000042763780 436316895 /nfs/dbraw/zinc/31/68/95/436316895.db2.gz HRVIYVXXSRWZHT-GFCCVEGCSA-N 1 0 334.507 0.897 50 0 ECAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC1(C(N)=O)CCOCC1 ZINC000043861287 436335921 /nfs/dbraw/zinc/33/59/21/436335921.db2.gz LARFZHGXTCXWQI-CQSZACIVSA-N 1 0 340.468 0.832 50 0 ECAARO Cc1cnc(CN2C[C@]3(CCCN(C(=O)CC[NH3+])C3)CCC2=O)cn1 ZINC000082115038 436361244 /nfs/dbraw/zinc/36/12/44/436361244.db2.gz WPGOIQJIEFMPDW-GOSISDBHSA-N 1 0 345.447 0.865 50 0 ECAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCCn1cnnn1 ZINC000082160453 436363231 /nfs/dbraw/zinc/36/32/31/436363231.db2.gz ZCEBOHOHIRVPEX-MRXNPFEDSA-N 1 0 328.420 0.968 50 0 ECAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@@H](CO)C2)CC1 ZINC000084789331 436386573 /nfs/dbraw/zinc/38/65/73/436386573.db2.gz OPSLFGCYYMRXJP-JKSUJKDBSA-N 1 0 326.485 0.674 50 0 ECAARO O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)N1CCc2ccccc21 ZINC000085436826 436387691 /nfs/dbraw/zinc/38/76/91/436387691.db2.gz QOCLWIYOOQQJEY-GOSISDBHSA-N 1 0 329.444 0.964 50 0 ECAARO CN1C[C@H](C(=O)NCc2ccccc2CN2CC[NH+](C)CC2)CC1=O ZINC000046935239 436405852 /nfs/dbraw/zinc/40/58/52/436405852.db2.gz BRVWMWOEXHYCDK-QGZVFWFLSA-N 1 0 344.459 0.529 50 0 ECAARO Cn1c(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)cc(=O)n(C)c1=O ZINC000044949150 436356095 /nfs/dbraw/zinc/35/60/95/436356095.db2.gz DYZDRFMFBUKBIQ-GASCZTMLSA-N 1 0 337.420 0.244 50 0 ECAARO O=C(NCCCC[NH+]1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000044970211 436358763 /nfs/dbraw/zinc/35/87/63/436358763.db2.gz XQDXYGBILYLQOJ-UHFFFAOYSA-N 1 0 348.451 0.421 50 0 ECAARO Cc1cc(C)n2nc(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)nc2n1 ZINC000048130101 436441542 /nfs/dbraw/zinc/44/15/42/436441542.db2.gz UJHBYWSKEVZTLV-UHFFFAOYSA-N 1 0 345.451 0.497 50 0 ECAARO CC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)C[C@H](O)C1 ZINC000091321026 436449278 /nfs/dbraw/zinc/44/92/78/436449278.db2.gz MPVNZTMNTMNPFG-OAHLLOKOSA-N 1 0 333.436 0.805 50 0 ECAARO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)n1cccn1 ZINC000048325723 436449953 /nfs/dbraw/zinc/44/99/53/436449953.db2.gz GFJSWGGSURVWGZ-HOTGVXAUSA-N 1 0 335.452 0.214 50 0 ECAARO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)[nH]1 ZINC000091657292 436457202 /nfs/dbraw/zinc/45/72/02/436457202.db2.gz VEBWOTWAEXQZKD-HZPDHXFCSA-N 1 0 348.491 0.895 50 0 ECAARO CC(C)N1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CCn3cncn3)C2)C1=O ZINC000089869771 436419746 /nfs/dbraw/zinc/41/97/46/436419746.db2.gz KHEQAJPLNSITKZ-CJNGLKHVSA-N 1 0 334.424 0.709 50 0 ECAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1cnc(-c2cccnc2)nc1 ZINC000096137129 436515186 /nfs/dbraw/zinc/51/51/86/436515186.db2.gz CNHQUKQVBHVJIB-UHFFFAOYSA-N 1 0 335.371 0.768 50 0 ECAARO O=C(Cn1cnnn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095371013 436491477 /nfs/dbraw/zinc/49/14/77/436491477.db2.gz WRHRZDTYPYGJKI-HZPDHXFCSA-N 1 0 326.404 0.796 50 0 ECAARO CN(CCc1cnn(C)c1)C(=O)CN1CC2(CC1=O)CC[NH+](C)CC2 ZINC000095501752 436497066 /nfs/dbraw/zinc/49/70/66/436497066.db2.gz QUXBLIZERFCSKA-UHFFFAOYSA-N 1 0 347.463 0.365 50 0 ECAARO CN1CCN(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1=O ZINC000095942130 436499666 /nfs/dbraw/zinc/49/96/66/436499666.db2.gz KXWTUJLBLPBPOU-HNNXBMFYSA-N 1 0 348.447 0.697 50 0 ECAARO Cn1c2ncc(NC(=O)c3ccc(C[NH3+])cc3)cc2c(=O)n(C)c1=O ZINC000095971694 436501244 /nfs/dbraw/zinc/50/12/44/436501244.db2.gz KHPQIZAXANJYSB-UHFFFAOYSA-N 1 0 339.355 0.343 50 0 ECAARO CC(C)Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000096495075 436532234 /nfs/dbraw/zinc/53/22/34/436532234.db2.gz BZOJMZHZCRVRJB-AWEZNQCLSA-N 1 0 334.464 0.939 50 0 ECAARO CC(C)(C)OC(=O)NCC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000058290625 436623239 /nfs/dbraw/zinc/62/32/39/436623239.db2.gz IXVHKQMOUBJJMX-UHFFFAOYSA-N 1 0 328.413 0.808 50 0 ECAARO COCC(=O)N1CCC2(CC1)C[N@H+](C[C@H]1CCOC1)CCN2C ZINC000106722597 436600854 /nfs/dbraw/zinc/60/08/54/436600854.db2.gz LSWLLJQXAGRDSE-OAHLLOKOSA-N 1 0 325.453 0.278 50 0 ECAARO Cc1ccc(F)c(-n2nnnc2CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000106868182 436603061 /nfs/dbraw/zinc/60/30/61/436603061.db2.gz NPTUHYSNTHKNOR-KBPBESRZSA-N 1 0 348.426 0.997 50 0 ECAARO C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000107142635 436608321 /nfs/dbraw/zinc/60/83/21/436608321.db2.gz MMJICISBXYTVGY-MWLCHTKSSA-N 1 0 325.390 0.360 50 0 ECAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000107058206 436608867 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CCc1nnc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)s1 ZINC000067714766 215193123 /nfs/dbraw/zinc/19/31/23/215193123.db2.gz NXNKZFIQWATLCD-SNVBAGLBSA-N 1 0 335.437 0.622 50 0 ECAARO O=c1n(CCn2cncn2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000067739829 215198777 /nfs/dbraw/zinc/19/87/77/215198777.db2.gz ZUIVGGFNLBCKRP-AWEZNQCLSA-N 1 0 339.403 0.793 50 0 ECAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc2ccc(C)cc2[nH]c1=O ZINC000067910334 215248226 /nfs/dbraw/zinc/24/82/26/215248226.db2.gz UVIYWKXJMQKLBU-HOCLYGCPSA-N 1 0 328.416 0.874 50 0 ECAARO Cn1ccc([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C(N)=O)CC2)n1 ZINC000091794256 282720722 /nfs/dbraw/zinc/72/07/22/282720722.db2.gz ASEQQINOINMLHR-HNNXBMFYSA-N 1 0 333.436 0.671 50 0 ECAARO C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)[NH+](C)C ZINC000069348018 215382027 /nfs/dbraw/zinc/38/20/27/215382027.db2.gz SGRPUXIWBGNKFY-NWDGAFQWSA-N 1 0 345.490 0.968 50 0 ECAARO C[C@@H]1CCC[N@H+](CCNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000040534297 213339968 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Cc1nc(N)nc(C)c1CC(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072134351 216023342 /nfs/dbraw/zinc/02/33/42/216023342.db2.gz QFOHDAGSGINAGD-UHFFFAOYSA-N 1 0 347.463 0.666 50 0 ECAARO Cc1cc2nc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)cc(C)n2n1 ZINC000072141897 216027879 /nfs/dbraw/zinc/02/78/79/216027879.db2.gz DMPPRZHDMZVVOA-QGZVFWFLSA-N 1 0 331.420 0.875 50 0 ECAARO O=C(Cn1cnnn1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000072292911 216128474 /nfs/dbraw/zinc/12/84/74/216128474.db2.gz XDKCKRWODNNUPA-UHFFFAOYSA-N 1 0 348.382 0.472 50 0 ECAARO CS(=O)(=O)c1cnc(NCCCCO)nc1[C@H]1CCC[NH2+]C1 ZINC000072407925 216199790 /nfs/dbraw/zinc/19/97/90/216199790.db2.gz KOKVNQKAOWKDNQ-NSHDSACASA-N 1 0 328.438 0.532 50 0 ECAARO Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072425132 216215449 /nfs/dbraw/zinc/21/54/49/216215449.db2.gz SRGGKKQLNNBRLI-KRWDZBQOSA-N 1 0 335.452 0.523 50 0 ECAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C[C@H](C)O1 ZINC000072430692 216223115 /nfs/dbraw/zinc/22/31/15/216223115.db2.gz PMZGVIZPESVVPK-BETUJISGSA-N 1 0 334.420 0.494 50 0 ECAARO O=C([C@H]1C[NH2+]CCO1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000072454449 216241328 /nfs/dbraw/zinc/24/13/28/216241328.db2.gz KSIFJEOZCNKLHC-OAHLLOKOSA-N 1 0 330.388 0.482 50 0 ECAARO COCCNc1nc2c(c(NC[C@H](C)n3cncn3)n1)CC[NH2+]CC2 ZINC000072458041 216244076 /nfs/dbraw/zinc/24/40/76/216244076.db2.gz MBVUCWZLLCRUEB-LBPRGKRZSA-N 1 0 346.439 0.488 50 0 ECAARO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)CC[C@H]21 ZINC000072479639 216259107 /nfs/dbraw/zinc/25/91/07/216259107.db2.gz PYQQLVPSIYEZAG-SWLSCSKDSA-N 1 0 331.420 0.699 50 0 ECAARO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccc2c(c1)OCCO2 ZINC000022945135 212339998 /nfs/dbraw/zinc/33/99/98/212339998.db2.gz BPDJWYOWHPHZDG-UHFFFAOYSA-N 1 0 335.404 0.396 50 0 ECAARO C[NH+]1CCN(CCCNC(=O)N[C@@H]2COc3ccccc3C2)CC1 ZINC000022938054 212338130 /nfs/dbraw/zinc/33/81/30/212338130.db2.gz PICQTYWFJZKEMW-INIZCTEOSA-N 1 0 332.448 0.927 50 0 ECAARO COc1ccc(OC)c(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000022913151 212332625 /nfs/dbraw/zinc/33/26/25/212332625.db2.gz UHDDYLLMZKJFKH-UHFFFAOYSA-N 1 0 343.449 0.230 50 0 ECAARO Cn1c2ccccc2n(CC(=O)NCCC[NH+]2CCCC2)c(=O)c1=O ZINC000021943744 212265469 /nfs/dbraw/zinc/26/54/69/212265469.db2.gz NAFNXIXYVFBVSW-UHFFFAOYSA-N 1 0 344.415 0.302 50 0 ECAARO COCCN(CCOC)S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229697456 242191680 /nfs/dbraw/zinc/19/16/80/242191680.db2.gz IEKABXQQCKAINR-KBPBESRZSA-N 1 0 335.470 0.042 50 0 ECAARO COc1cc2c(cc1CNC(=O)CN1CC[C@@H]([NH+](C)C)C1)OCCO2 ZINC000244874469 243093822 /nfs/dbraw/zinc/09/38/22/243093822.db2.gz XBTNEEHBCNCQGZ-CQSZACIVSA-N 1 0 349.431 0.719 50 0 ECAARO Cc1nc(C)c(CC(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)c(=O)[nH]1 ZINC000253535383 244010255 /nfs/dbraw/zinc/01/02/55/244010255.db2.gz NTOPHRGCOFNPCH-CKEIUWERSA-N 1 0 348.447 0.597 50 0 ECAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@H](c3cc(=O)[nH]cn3)C2)c(=O)[nH]1 ZINC000253536610 244012457 /nfs/dbraw/zinc/01/24/57/244012457.db2.gz YBWQHRZPABNVAH-LBPRGKRZSA-N 1 0 331.376 0.633 50 0 ECAARO C[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1nc(-c2ccccn2)no1 ZINC000077505045 216922682 /nfs/dbraw/zinc/92/26/82/216922682.db2.gz FIGFJLTYRYNUNB-VIFPVBQESA-N 1 0 328.336 0.173 50 0 ECAARO O=C(c1ccc2c(c1)CCC(=O)N2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261615659 244610715 /nfs/dbraw/zinc/61/07/15/244610715.db2.gz FKKRWKPZVIGCCF-OAHLLOKOSA-N 1 0 328.416 0.691 50 0 ECAARO OCCN1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019363148 212020779 /nfs/dbraw/zinc/02/07/79/212020779.db2.gz LJHZZYGODNYHLD-MRXNPFEDSA-N 1 0 328.840 0.827 50 0 ECAARO O=C(C[N@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O)NCc1ccco1 ZINC000091434071 218004997 /nfs/dbraw/zinc/00/49/97/218004997.db2.gz PFMHQEATIZRLNK-QGZVFWFLSA-N 1 0 335.404 0.203 50 0 ECAARO Cc1nonc1CN(C)C(=O)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011816286 211250281 /nfs/dbraw/zinc/25/02/81/211250281.db2.gz FQUHHNIFEUGDNJ-UHFFFAOYSA-N 1 0 333.396 0.728 50 0 ECAARO Cc1nnc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CCO)CC3)s1 ZINC000091664439 218042819 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CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)on1)C2=O ZINC000009660750 211112157 /nfs/dbraw/zinc/11/21/57/211112157.db2.gz RUBWIOMUCOMKMI-UHFFFAOYSA-N 1 0 349.391 0.718 50 0 ECAARO CN(C(=O)C1CC[NH+](CCNS(C)(=O)=O)CC1)c1ccccc1 ZINC000095393122 218325070 /nfs/dbraw/zinc/32/50/70/218325070.db2.gz ASLZJGIVDJKBRB-UHFFFAOYSA-N 1 0 339.461 0.911 50 0 ECAARO C[NH+]1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3ccccc31)C2=O ZINC000008769161 211002477 /nfs/dbraw/zinc/00/24/77/211002477.db2.gz IJZGVLWVLYLUDW-UHFFFAOYSA-N 1 0 342.399 0.592 50 0 ECAARO CC(=O)N1CCOC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000095449069 218392941 /nfs/dbraw/zinc/39/29/41/218392941.db2.gz OLKHHBFVWJNUNF-HOCLYGCPSA-N 1 0 325.453 0.862 50 0 ECAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21c2cc(C)ccc2NC1=O ZINC000016022052 285007682 /nfs/dbraw/zinc/00/76/82/285007682.db2.gz FAHKKPNRQUGDPP-AVUWZVCYSA-N 1 0 343.383 0.382 50 0 ECAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000133069429 533025422 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NS(=O)(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299765018 258080103 /nfs/dbraw/zinc/08/01/03/258080103.db2.gz YSSSBJXQQIDHNI-QPUJVOFHSA-N 1 0 344.824 0.813 50 0 ECAARO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000237747360 165099310 /nfs/dbraw/zinc/09/93/10/165099310.db2.gz HKEUKPIDCQXTSF-PMPSAXMXSA-N 1 0 334.416 0.892 50 0 ECAARO Cc1nccn1CCC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000125045596 274861118 /nfs/dbraw/zinc/86/11/18/274861118.db2.gz ICEJVWNNRXYRQP-UHFFFAOYSA-N 1 0 328.420 0.898 50 0 ECAARO CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCC[NH2+]3)[nH]c2=O)C1 ZINC000035605832 276390666 /nfs/dbraw/zinc/39/06/66/276390666.db2.gz OJXQWUNZQCGHNQ-NSHDSACASA-N 1 0 326.422 0.292 50 0 ECAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000237161625 277279169 /nfs/dbraw/zinc/27/91/69/277279169.db2.gz JXJHZYBXKCMJHP-NSHDSACASA-N 1 0 332.447 0.463 50 0 ECAARO CS[C@@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1[NH+](C)C ZINC000253393982 278154407 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ECAARO O[C@H](C[NH2+][C@@H]1CCc2ncnn2C1)COCc1ccc2c(c1)OCO2 ZINC000069740399 435963087 /nfs/dbraw/zinc/96/30/87/435963087.db2.gz DEMFDIOVRVLMJH-ZIAGYGMSSA-N 1 0 346.387 0.489 50 0 ECAARO CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000069895623 435974009 /nfs/dbraw/zinc/97/40/09/435974009.db2.gz KLVNGCDZQWLTJI-SJORKVTESA-N 1 0 332.452 0.537 50 0 ECAARO CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cn2nc(C)cc2C)CC1 ZINC000070005733 435982315 /nfs/dbraw/zinc/98/23/15/435982315.db2.gz HRLKRMVLUYTSAK-KRWDZBQOSA-N 1 0 347.463 0.655 50 0 ECAARO C[C@H](O)C[NH+]1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000070037025 435984174 /nfs/dbraw/zinc/98/41/74/435984174.db2.gz AHISNTMKSFZAHV-GOEBONIOSA-N 1 0 326.412 0.702 50 0 ECAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CC2 ZINC000070013343 435984325 /nfs/dbraw/zinc/98/43/25/435984325.db2.gz YLTHYYARGMEPLL-LBPRGKRZSA-N 1 0 329.470 0.587 50 0 ECAARO CCN(CC)S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000069620190 435952239 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O=C(NCCc1c[nH]cn1)[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000008764430 436029933 /nfs/dbraw/zinc/02/99/33/436029933.db2.gz CFRSVKLOZQPXTR-LLVKDONJSA-N 1 0 340.391 0.651 50 0 ECAARO O=C(CNC(=O)c1ccco1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008742800 436031863 /nfs/dbraw/zinc/03/18/63/436031863.db2.gz PHYUHQWJIBZNII-UHFFFAOYSA-N 1 0 343.387 0.396 50 0 ECAARO CN1c2ccccc2C2(CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1=O ZINC000072156692 436034344 /nfs/dbraw/zinc/03/43/44/436034344.db2.gz MVWFXDPTXYTZGE-HNNXBMFYSA-N 1 0 329.400 0.512 50 0 ECAARO C[C@@]1([C@H]2CCC[N@H+](CC(=O)N3CCCCCC3)C2)NC(=O)NC1=O ZINC000072300756 436042443 /nfs/dbraw/zinc/04/24/43/436042443.db2.gz XZAMPZOTPNOSNE-GUYCJALGSA-N 1 0 336.436 0.699 50 0 ECAARO Cc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)c(C)c1 ZINC000014539678 436072840 /nfs/dbraw/zinc/07/28/40/436072840.db2.gz HJIUULXJVDRDCD-QCEMKRCNSA-N 1 0 331.416 0.242 50 0 ECAARO CC(=O)NCCNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1 ZINC000014531678 436073821 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Nc1nc(CCNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)cs1 ZINC000077428374 436238626 /nfs/dbraw/zinc/23/86/26/436238626.db2.gz OELAURBVDMTCPY-LLVKDONJSA-N 1 0 349.464 0.822 50 0 ECAARO COc1ccc(-c2cc(CNC[C@@]3(O)C[NH2+]CCOC3)no2)cc1 ZINC000077487544 436240052 /nfs/dbraw/zinc/24/00/52/436240052.db2.gz HFENRUPAJGCPPD-KRWDZBQOSA-N 1 0 333.388 0.791 50 0 ECAARO O=C(NCCNC[C@@]1(O)C[NH2+]CCOC1)c1ccccc1Cl ZINC000077505760 436241303 /nfs/dbraw/zinc/24/13/03/436241303.db2.gz OQVIXGBZGZORFF-OAHLLOKOSA-N 1 0 327.812 0.010 50 0 ECAARO CN1C(=O)N[C@@](C)([C@H]2CCC[N@H+](CC(=O)NCc3ccco3)C2)C1=O ZINC000076058767 436188351 /nfs/dbraw/zinc/18/83/51/436188351.db2.gz WRBZXPVECXJDNP-SJCJKPOMSA-N 1 0 348.403 0.548 50 0 ECAARO CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2C)CC1 ZINC000076055439 436189936 /nfs/dbraw/zinc/18/99/36/436189936.db2.gz XPDYTOILWRYMEF-KDOFPFPSSA-N 1 0 344.459 0.770 50 0 ECAARO Cn1c(=O)ccn(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1=O ZINC000030636959 436219902 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QHZVQMJDUUIVRL-AWEZNQCLSA-N 1 0 333.436 0.190 50 0 ECAARO CN1CCN(C(=O)c2ccnc(N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c2)CC1 ZINC000095364299 218297086 /nfs/dbraw/zinc/29/70/86/218297086.db2.gz GTMWZWQJWCIECK-CVEARBPZSA-N 1 0 329.448 0.643 50 0 ECAARO O=C(CN1C(=O)CNC1=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000095378543 218311056 /nfs/dbraw/zinc/31/10/56/218311056.db2.gz JPHMEYRXSWWHJK-AWEZNQCLSA-N 1 0 348.378 0.631 50 0 ECAARO COc1c2c(c(CNS(C)(=O)=O)c3c1C[N@H+](C)CC3)OCO2 ZINC000008765431 211002400 /nfs/dbraw/zinc/00/24/00/211002400.db2.gz WYUJBFZPDGOGMC-UHFFFAOYSA-N 1 0 328.390 0.461 50 0 ECAARO CC[NH+]1CCC(N(CC(=O)NCC(=O)N2CCCC2)C2CC2)CC1 ZINC000095446699 218390657 /nfs/dbraw/zinc/39/06/57/218390657.db2.gz YMPFILXDZVVGKB-UHFFFAOYSA-N 1 0 336.480 0.674 50 0 ECAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ncc(OC)cn1 ZINC000328596639 258042433 /nfs/dbraw/zinc/04/24/33/258042433.db2.gz KNDMGUVINCKHCT-NEPJUHHUSA-N 1 0 333.392 0.509 50 0 ECAARO COc1cccc(C[C@H](NC(C)=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000299739574 258010330 /nfs/dbraw/zinc/01/03/30/258010330.db2.gz QHQXUPQATDBXKN-AHIWAGSCSA-N 1 0 333.432 0.951 50 0 ECAARO Cc1nnnn1-c1cccc(C(=O)N2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000299801056 258104066 /nfs/dbraw/zinc/10/40/66/258104066.db2.gz VKGJYFRSSGHRAN-CQSZACIVSA-N 1 0 344.419 0.621 50 0 ECAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](CCn3c(=O)cc(C)[nH]c3=O)[C@H]2C1 ZINC000299800989 258104135 /nfs/dbraw/zinc/10/41/35/258104135.db2.gz UJSWWEMAFWDSQU-JKIFEVAISA-N 1 0 337.420 0.916 50 0 ECAARO CCn1cc(-n2cc3[nH]c(N4CC[NH+](CC)CC4)ncc-3c2=O)cn1 ZINC000046088848 132423013 /nfs/dbraw/zinc/42/30/13/132423013.db2.gz PIMQYCJNDFEPMI-UHFFFAOYSA-N 1 0 341.419 0.995 50 0 ECAARO COc1ccc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)c(OC)n1 ZINC000091965107 286282476 /nfs/dbraw/zinc/28/24/76/286282476.db2.gz WUCJVJWMNKDCSJ-OLZOCXBDSA-N 1 0 337.420 0.731 50 0 ECAARO C[C@@H]([NH3+])C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 ZINC000071775995 274234022 /nfs/dbraw/zinc/23/40/22/274234022.db2.gz GNXDOWOTLKIRMT-LLVKDONJSA-N 1 0 326.404 0.837 50 0 ECAARO CN1CCN(c2ncc(C[NH2+]CC3CCC(C(N)=O)CC3)cn2)CC1 ZINC000095416700 277114300 /nfs/dbraw/zinc/11/43/00/277114300.db2.gz WAAMGIXOVZARMQ-UHFFFAOYSA-N 1 0 346.479 0.610 50 0 ECAARO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000046503925 278204890 /nfs/dbraw/zinc/20/48/90/278204890.db2.gz ZHKHVDHRDBOVMW-HNNXBMFYSA-N 1 0 336.480 0.674 50 0 ECAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1CCCO1)C2 ZINC000065469536 289163892 /nfs/dbraw/zinc/16/38/92/289163892.db2.gz JNNSNDWXWDSPLC-OAHLLOKOSA-N 1 0 349.435 0.086 50 0 ECAARO Cc1cnn(CC[NH2+][C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000069976309 435979091 /nfs/dbraw/zinc/97/90/91/435979091.db2.gz XVRHRIOLDYLHMO-OAHLLOKOSA-N 1 0 343.435 0.308 50 0 ECAARO O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069596187 435951797 /nfs/dbraw/zinc/95/17/97/435951797.db2.gz POGVOALKNLKDEB-ZIAGYGMSSA-N 1 0 346.387 0.911 50 0 ECAARO CCOc1ccnc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000069655073 435955091 /nfs/dbraw/zinc/95/50/91/435955091.db2.gz PSYXFRZFIVPHSU-CQSZACIVSA-N 1 0 332.408 0.255 50 0 ECAARO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000069661812 435955890 /nfs/dbraw/zinc/95/58/90/435955890.db2.gz IJONPUJYDXVXAB-SNVBAGLBSA-N 1 0 344.341 0.954 50 0 ECAARO CNC(=O)NC(=O)CC[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000069659585 435956162 /nfs/dbraw/zinc/95/61/62/435956162.db2.gz ASCLKMRBDLZUJH-SNVBAGLBSA-N 1 0 342.421 0.173 50 0 ECAARO CC(C)[C@H](CNC(=O)NCCCn1ccnc1)[NH+]1CCN(C)CC1 ZINC000071798627 436014040 /nfs/dbraw/zinc/01/40/40/436014040.db2.gz KHVGTNXUINJQKW-INIZCTEOSA-N 1 0 336.484 0.844 50 0 ECAARO C[C@@H](O)C[N@@H+]1CCN(CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000071864572 436018204 /nfs/dbraw/zinc/01/82/04/436018204.db2.gz YDIGVLOFIRDXEK-LSDHHAIUSA-N 1 0 341.477 0.352 50 0 ECAARO Cc1nc(CN2CCC[C@@H]([NH2+]CC(=O)NCc3ccco3)C2)no1 ZINC000071870566 436022614 /nfs/dbraw/zinc/02/26/14/436022614.db2.gz LLKLHTYNHQBBJV-CYBMUJFWSA-N 1 0 333.392 0.841 50 0 ECAARO CCCCC[N@H+](CCO)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000071902324 436026591 /nfs/dbraw/zinc/02/65/91/436026591.db2.gz FXBAZCHYMQQKKT-LBPRGKRZSA-N 1 0 327.425 0.989 50 0 ECAARO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000071920360 436029701 /nfs/dbraw/zinc/02/97/01/436029701.db2.gz DCJPCGDBHFKIJD-SECBINFHSA-N 1 0 345.321 0.879 50 0 ECAARO Cc1nn2c(nc(CN3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)cc2=O)s1 ZINC000072279664 436040456 /nfs/dbraw/zinc/04/04/56/436040456.db2.gz TUEKHKJPUIHSSN-GHMZBOCLSA-N 1 0 337.449 0.346 50 0 ECAARO O[C@@H]1CCC[N@H+](CCNc2nc3nonc3nc2N2CCCCC2)C1 ZINC000012031229 436046964 /nfs/dbraw/zinc/04/69/64/436046964.db2.gz SBIRHKQRDIVJSA-GFCCVEGCSA-N 1 0 347.423 0.872 50 0 ECAARO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCn1cccn1 ZINC000012584584 436051130 /nfs/dbraw/zinc/05/11/30/436051130.db2.gz QRSHBPWVULFMLD-HNNXBMFYSA-N 1 0 335.452 0.626 50 0 ECAARO CCNC(=O)NC(=O)CN(CC)CC(=O)NCc1ccc(F)cc1 ZINC000012697876 436055178 /nfs/dbraw/zinc/05/51/78/436055178.db2.gz IPXUHOZNDWMBFZ-UHFFFAOYSA-N 1 0 338.383 0.610 50 0 ECAARO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+]C(C)(C)C ZINC000014189089 436070537 /nfs/dbraw/zinc/07/05/37/436070537.db2.gz LDJVYJOBSMAQJT-SNVBAGLBSA-N 1 0 325.434 1.000 50 0 ECAARO COc1ccc(C[C@@H]2NC(=O)[C@H]3C[N@H+](CC(C)C)CCN3C2=O)cc1 ZINC000014542165 436072891 /nfs/dbraw/zinc/07/28/91/436072891.db2.gz DJUBMVBHDABDIF-DLBZAZTESA-N 1 0 345.443 0.905 50 0 ECAARO CCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073692774 436089072 /nfs/dbraw/zinc/08/90/72/436089072.db2.gz OGTVASBBRLETBX-AWEZNQCLSA-N 1 0 334.420 0.507 50 0 ECAARO Cc1cc(N2CCN(C[C@H](O)COc3ccccc3)CC2)nc(N)[nH+]1 ZINC000075128677 436151692 /nfs/dbraw/zinc/15/16/92/436151692.db2.gz RRFZASUNTPRQKW-HNNXBMFYSA-N 1 0 343.431 0.929 50 0 ECAARO CC(=O)NCCNC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000026259052 436160754 /nfs/dbraw/zinc/16/07/54/436160754.db2.gz UKDNXFTVINZDRL-CYBMUJFWSA-N 1 0 344.419 0.512 50 0 ECAARO Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)NCC[NH+](C)C)o1 ZINC000075504881 436162759 /nfs/dbraw/zinc/16/27/59/436162759.db2.gz BRVAEXBFNHBYLT-UHFFFAOYSA-N 1 0 327.410 0.830 50 0 ECAARO O=C(c1ccc(S(=O)(=O)c2ccccc2)cn1)N1CC[NH2+]CC1 ZINC000075567664 436164775 /nfs/dbraw/zinc/16/47/75/436164775.db2.gz SSKNSAGMNSWIDY-UHFFFAOYSA-N 1 0 331.397 0.960 50 0 ECAARO CC1(C)NC(=O)N(CC[NH+]2CCC(C(=O)N3CCCC3)CC2)C1=O ZINC000026910908 436168940 /nfs/dbraw/zinc/16/89/40/436168940.db2.gz URDNGCUJFCVRBX-UHFFFAOYSA-N 1 0 336.436 0.651 50 0 ECAARO O[C@H](C[NH2+][C@H]1CCc2ncnn2C1)COc1ccc2c(c1)OCO2 ZINC000075603517 436167666 /nfs/dbraw/zinc/16/76/66/436167666.db2.gz JQRUEIIGUQKWSY-NWDGAFQWSA-N 1 0 332.360 0.351 50 0 ECAARO Cc1ccc([C@@H](C)NC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)cn1 ZINC000077456031 436238608 /nfs/dbraw/zinc/23/86/08/436238608.db2.gz OLAWKGRPXDMEKB-CQSZACIVSA-N 1 0 343.435 0.378 50 0 ECAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCn1ccccc1=O ZINC000077503507 436240706 /nfs/dbraw/zinc/24/07/06/436240706.db2.gz YABGZOVWHNEYLK-KGLIPLIRSA-N 1 0 334.420 0.035 50 0 ECAARO COc1ccc(CN2CCN(C[C@]3(O)CCC[NH2+]C3)CC2=O)cc1 ZINC000077521339 436240835 /nfs/dbraw/zinc/24/08/35/436240835.db2.gz HVEYLNCUAWNHBI-SFHVURJKSA-N 1 0 333.432 0.454 50 0 ECAARO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)C(=O)N1CCC(C)CC1 ZINC000076057139 436188368 /nfs/dbraw/zinc/18/83/68/436188368.db2.gz PUMAGCNLMWCHMF-SOUVJXGZSA-N 1 0 345.509 0.893 50 0 ECAARO Cn1ccnc1CC[C@@H]1CCCCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000077299910 436230190 /nfs/dbraw/zinc/23/01/90/436230190.db2.gz PNNXNDZXRUWRGU-ZDUSSCGKSA-N 1 0 331.424 0.598 50 0 ECAARO C[C@@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000497233184 301578449 /nfs/dbraw/zinc/57/84/49/301578449.db2.gz ZIVFKOQKUAAOJL-VXGBXAGGSA-N 1 0 342.440 0.178 50 0 ECAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@H](c1cccnc1)N1CCCC1 ZINC000082121580 436361334 /nfs/dbraw/zinc/36/13/34/436361334.db2.gz UNGDTMNQFVHXDM-KRWDZBQOSA-N 1 0 340.431 0.835 50 0 ECAARO CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000045944508 436381269 /nfs/dbraw/zinc/38/12/69/436381269.db2.gz CXIXDJYCACBHFA-UHFFFAOYSA-N 1 0 339.461 0.828 50 0 ECAARO CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc(C)c1 ZINC000045944543 436381705 /nfs/dbraw/zinc/38/17/05/436381705.db2.gz DIBINYDNLHIATC-UHFFFAOYSA-N 1 0 339.461 0.828 50 0 ECAARO CC(C)CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000045974672 436382952 /nfs/dbraw/zinc/38/29/52/436382952.db2.gz SIMFMAUBNJPUMW-UHFFFAOYSA-N 1 0 339.461 0.765 50 0 ECAARO C[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000046367711 436393150 /nfs/dbraw/zinc/39/31/50/436393150.db2.gz DLDMFUSBVOURSC-KBPBESRZSA-N 1 0 346.497 0.394 50 0 ECAARO O=C(Cn1nnn(-c2cccs2)c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000046736545 436399567 /nfs/dbraw/zinc/39/95/67/436399567.db2.gz XEAZHZOLFXWBED-UHFFFAOYSA-N 1 0 348.432 0.234 50 0 ECAARO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091635709 436456433 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C[NH+](C)CCN1C[C@H](C(=O)N2CCN(Cc3ccco3)CC2)CC1=O ZINC000095516916 436498449 /nfs/dbraw/zinc/49/84/49/436498449.db2.gz VPEFHTZHIFXTDI-OAHLLOKOSA-N 1 0 348.447 0.334 50 0 ECAARO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(Cc2ccon2)CC1 ZINC000096440564 436532339 /nfs/dbraw/zinc/53/23/39/436532339.db2.gz GBYGFPOMNOUTJH-OAHLLOKOSA-N 1 0 333.436 0.986 50 0 ECAARO Cc1cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cnc1Cl ZINC000096421248 436533013 /nfs/dbraw/zinc/53/30/13/436533013.db2.gz MJXUUXXRYQISOU-GFCCVEGCSA-N 1 0 346.884 0.958 50 0 ECAARO C[C@H](C(=O)N1CCOCC1)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058311634 436624283 /nfs/dbraw/zinc/62/42/83/436624283.db2.gz YFNGYOMUMAWMFQ-CQSZACIVSA-N 1 0 349.431 0.855 50 0 ECAARO COCC[N@H+](C)C[C@H]1CCCN1CC(=O)NCCCOC(C)C ZINC000058427396 436626029 /nfs/dbraw/zinc/62/60/29/436626029.db2.gz QDHHPZCDZIYZTI-MRXNPFEDSA-N 1 0 329.485 0.960 50 0 ECAARO C[NH+]1CCN(Cc2cccc(NC(=O)CN3CSCC3=O)c2)CC1 ZINC000057054339 436603125 /nfs/dbraw/zinc/60/31/25/436603125.db2.gz 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[NH3+]CCn1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)nn1 ZINC000568286882 439235369 /nfs/dbraw/zinc/23/53/69/439235369.db2.gz JBRKHTBWLKYUDT-CYBMUJFWSA-N 1 0 342.403 0.728 50 0 ECAARO CN(CC(=O)NCC1(C[NH+]2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000534635484 439531580 /nfs/dbraw/zinc/53/15/80/439531580.db2.gz OBCPMTNOFFKFRN-AWEZNQCLSA-N 1 0 343.493 0.098 50 0 ECAARO CCC(C)(C)[C@H](O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000585121713 439632037 /nfs/dbraw/zinc/63/20/37/439632037.db2.gz XCAWZABGZHBWJJ-ZIAGYGMSSA-N 1 0 325.453 0.724 50 0 ECAARO O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000585136728 439634282 /nfs/dbraw/zinc/63/42/82/439634282.db2.gz QTTLFNCCNBVTIW-CVEARBPZSA-N 1 0 349.406 0.672 50 0 ECAARO O=C(C[C@@H]1CCOC1)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000584885483 439625131 /nfs/dbraw/zinc/62/51/31/439625131.db2.gz OEMHTQFLQRTUGE-HNNXBMFYSA-N 1 0 325.453 0.014 50 0 ECAARO Cn1nccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652384232 439832032 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344.415 0.938 50 0 ECAARO CCc1c(C)cc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(=O)n1C ZINC000097463586 219025720 /nfs/dbraw/zinc/02/57/20/219025720.db2.gz LRZSRHFPLXERMW-AWEZNQCLSA-N 1 0 335.448 0.833 50 0 ECAARO COCCn1c(CN2CCC3(CCO3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243885826 285189648 /nfs/dbraw/zinc/18/96/48/285189648.db2.gz ACRHCHREZYHTJL-OKILXGFUSA-N 1 0 335.452 0.884 50 0 ECAARO COc1ccc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)cc1OCCC[NH3+] ZINC000299781762 258090074 /nfs/dbraw/zinc/09/00/74/258090074.db2.gz MGSDFENUKILTMN-ZIAGYGMSSA-N 1 0 347.415 0.973 50 0 ECAARO CN(c1ccccc1CN1CCO[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000092735409 258066505 /nfs/dbraw/zinc/06/65/05/258066505.db2.gz KONBUVRQMOUIBY-SFHVURJKSA-N 1 0 346.475 0.903 50 0 ECAARO Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)c(OCCC[NH3+])c1 ZINC000299762473 258079811 /nfs/dbraw/zinc/07/98/11/258079811.db2.gz XJEOUBVQZRTTQQ-UHFFFAOYSA-N 1 0 326.418 0.593 50 0 ECAARO c1cc2n(n1)C[C@H](C[NH2+]C[C@@]1(N3CCOCC3)CCSC1)CN2 ZINC000058305899 285462809 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ECAARO C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000078895519 298094681 /nfs/dbraw/zinc/09/46/81/298094681.db2.gz CRLRGWQRDOEGAP-UPJWGTAASA-N 1 0 336.436 0.648 50 0 ECAARO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000078895526 298095191 /nfs/dbraw/zinc/09/51/91/298095191.db2.gz CRLRGWQRDOEGAP-JHJVBQTASA-N 1 0 336.436 0.648 50 0 ECAARO CNC(=O)COc1ccccc1C[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000069778358 435966018 /nfs/dbraw/zinc/96/60/18/435966018.db2.gz JZYFOQIEKSNTAN-AWEZNQCLSA-N 1 0 329.404 0.816 50 0 ECAARO Cc1ncsc1C(=O)NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000069848208 435971965 /nfs/dbraw/zinc/97/19/65/435971965.db2.gz WPTHGVJTRXCZHA-CQSZACIVSA-N 1 0 349.460 0.903 50 0 ECAARO O=C(C[NH2+][C@H]1CCc2ncnn2C1)NCCOc1ccc(F)cc1 ZINC000069872039 435972158 /nfs/dbraw/zinc/97/21/58/435972158.db2.gz HMYYPPXLABJKQR-ZDUSSCGKSA-N 1 0 333.367 0.517 50 0 ECAARO CC(C)CNC(=O)CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069933446 435976437 /nfs/dbraw/zinc/97/64/37/435976437.db2.gz BBEQSKGGGORNSS-HNNXBMFYSA-N 1 0 340.468 0.512 50 0 ECAARO C[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1)C[NH+]1CCN(C)CC1 ZINC000069921425 435977797 /nfs/dbraw/zinc/97/77/97/435977797.db2.gz VNCXFUTUQUVIPB-ZDUSSCGKSA-N 1 0 336.411 0.764 50 0 ECAARO CCc1nn2c(nc(C[NH2+][C@@H]3CCc4nc(C)nn4C3)cc2=O)s1 ZINC000069951917 435979072 /nfs/dbraw/zinc/97/90/72/435979072.db2.gz NGTXVDYPBGQDKF-SNVBAGLBSA-N 1 0 345.432 0.718 50 0 ECAARO C[C@H](C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)N1CCOCC1 ZINC000069977101 435979523 /nfs/dbraw/zinc/97/95/23/435979523.db2.gz VZKNUYFLUVYKJR-HUUCEWRRSA-N 1 0 327.469 0.258 50 0 ECAARO C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1)N1CCOCC1 ZINC000069977099 435980407 /nfs/dbraw/zinc/98/04/07/435980407.db2.gz VZKNUYFLUVYKJR-LSDHHAIUSA-N 1 0 327.469 0.258 50 0 ECAARO CCOCCN1CCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000069655528 435953075 /nfs/dbraw/zinc/95/30/75/435953075.db2.gz NXSGIIMLQHWUGV-UHFFFAOYSA-N 1 0 326.485 0.241 50 0 ECAARO COCC[C@@H](NC(C)=O)C(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069630972 435954065 /nfs/dbraw/zinc/95/40/65/435954065.db2.gz CNAONFSIPQZFBE-CABCVRRESA-N 1 0 343.468 0.079 50 0 ECAARO COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000006549840 436000587 /nfs/dbraw/zinc/00/05/87/436000587.db2.gz XFXWZJBCJCRLMK-UHFFFAOYSA-N 1 0 344.389 0.100 50 0 ECAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@@H](C)[NH3+] ZINC000071767630 436009956 /nfs/dbraw/zinc/00/99/56/436009956.db2.gz OHUHCKUOQKQVQG-SNVBAGLBSA-N 1 0 332.404 0.952 50 0 ECAARO COc1ccccc1OCCNC(=O)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000071871730 436020747 /nfs/dbraw/zinc/02/07/47/436020747.db2.gz QAEZNGXSNWNJCH-ZDUSSCGKSA-N 1 0 345.403 0.386 50 0 ECAARO O=C(C[NH2+]CCn1cccn1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000071879207 436024265 /nfs/dbraw/zinc/02/42/65/436024265.db2.gz LPQAWIMPHVLBRS-LBPRGKRZSA-N 1 0 333.358 0.473 50 0 ECAARO Cc1nc(CN2CCC[C@@H]([NH2+]CC(=O)Nc3c(C)n[nH]c3C)C2)no1 ZINC000071877569 436024591 /nfs/dbraw/zinc/02/45/91/436024591.db2.gz ARGPMUIFPLPOQG-CYBMUJFWSA-N 1 0 347.423 0.911 50 0 ECAARO CCN1CCO[C@H](C[NH2+]Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000071880842 436024971 /nfs/dbraw/zinc/02/49/71/436024971.db2.gz KNISOHFKZCGVLC-MRXNPFEDSA-N 1 0 335.448 0.964 50 0 ECAARO CC[N@H+](CCNC(=O)C(=O)Nc1ccn(CCCOC)n1)C1CC1 ZINC000072314614 436042830 /nfs/dbraw/zinc/04/28/30/436042830.db2.gz RWWLSYYZJFHORS-UHFFFAOYSA-N 1 0 337.424 0.459 50 0 ECAARO CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCO2)cc1 ZINC000012746911 436053860 /nfs/dbraw/zinc/05/38/60/436053860.db2.gz YLJIBCXEEWJEQB-MRXNPFEDSA-N 1 0 347.415 0.940 50 0 ECAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccncc1)CC2 ZINC000014751779 436075836 /nfs/dbraw/zinc/07/58/36/436075836.db2.gz VMMSJBDDFFBBKA-UHFFFAOYSA-N 1 0 332.404 0.957 50 0 ECAARO C[C@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCCCCC1 ZINC000074186685 436114995 /nfs/dbraw/zinc/11/49/95/436114995.db2.gz QOXXXRSMHHXEFW-OAHLLOKOSA-N 1 0 336.480 0.674 50 0 ECAARO CCOC(=O)Cc1c(C)nc2ncnn2c1N(CC)CC[NH+](C)C ZINC000022342102 436116490 /nfs/dbraw/zinc/11/64/90/436116490.db2.gz RMDDDWSNBYRHGN-UHFFFAOYSA-N 1 0 334.424 0.926 50 0 ECAARO [NH3+]CCn1cc(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)nn1 ZINC000077421237 436236981 /nfs/dbraw/zinc/23/69/81/436236981.db2.gz NJYPMHXFNWKMHK-MRXNPFEDSA-N 1 0 341.415 0.328 50 0 ECAARO O=C(c1nc2ccccc2[nH]1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077490005 436240663 /nfs/dbraw/zinc/24/06/63/436240663.db2.gz BLIUKDZKVSJZIK-GOSISDBHSA-N 1 0 344.415 0.862 50 0 ECAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000077484770 436241367 /nfs/dbraw/zinc/24/13/67/436241367.db2.gz QNDKPPKZGOEMBA-CABCVRRESA-N 1 0 333.432 0.678 50 0 ECAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Br)cs1 ZINC000032617194 436241833 /nfs/dbraw/zinc/24/18/33/436241833.db2.gz DHGMUCKMDIBXPK-UHFFFAOYSA-N 1 0 346.210 0.995 50 0 ECAARO O=C(c1ncc(F)cc1F)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077555802 436242598 /nfs/dbraw/zinc/24/25/98/436242598.db2.gz 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O=c1[nH]nc2c(N3CCC[C@@H]([NH2+]Cc4ccc(O)cc4)C3)nccn12 ZINC000067350090 436711929 /nfs/dbraw/zinc/71/19/29/436711929.db2.gz AKTYUXMSDBDBDK-CYBMUJFWSA-N 1 0 340.387 0.882 50 0 ECAARO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000229310531 436714209 /nfs/dbraw/zinc/71/42/09/436714209.db2.gz OIVOYXZYWFWPRL-PWSUYJOCSA-N 1 0 339.417 0.750 50 0 ECAARO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000065587683 436667977 /nfs/dbraw/zinc/66/79/77/436667977.db2.gz VAJOYRJRMPWOQJ-LLVKDONJSA-N 1 0 328.413 0.951 50 0 ECAARO C[C@@H](Cn1cncn1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067804127 436724216 /nfs/dbraw/zinc/72/42/16/436724216.db2.gz PLPRQPONFZYKFM-AWEZNQCLSA-N 1 0 343.435 0.377 50 0 ECAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237460384 436736725 /nfs/dbraw/zinc/73/67/25/436736725.db2.gz QDDNVGFHKSICGK-NHYWBVRUSA-N 1 0 337.445 0.863 50 0 ECAARO Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)nnn1C1CC[NH2+]CC1 ZINC000237736995 436742581 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ECAARO CN(CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)S(C)(=O)=O ZINC000046041901 436383626 /nfs/dbraw/zinc/38/36/26/436383626.db2.gz JOICBHZTFWRUHU-CYBMUJFWSA-N 1 0 331.413 0.436 50 0 ECAARO CN1CC[C@]2(CN(CC(=O)N3CCCCC3)CC[N@@H+]2C)CCC1=O ZINC000092097026 436466964 /nfs/dbraw/zinc/46/69/64/436466964.db2.gz NUSWMTUFMXSVSG-SFHVURJKSA-N 1 0 336.480 0.627 50 0 ECAARO COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000048251623 436446411 /nfs/dbraw/zinc/44/64/11/436446411.db2.gz YJIYIUUHXRTEDE-OAHLLOKOSA-N 1 0 349.431 0.809 50 0 ECAARO NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000048262359 436446644 /nfs/dbraw/zinc/44/66/44/436446644.db2.gz ODBMQOATPWKXOS-ZIAGYGMSSA-N 1 0 336.388 0.633 50 0 ECAARO O=C(NCc1cc[nH]n1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000048280070 436446886 /nfs/dbraw/zinc/44/68/86/436446886.db2.gz WYLHQSIJLBRRBU-INIZCTEOSA-N 1 0 329.404 0.628 50 0 ECAARO C[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)n1cccn1 ZINC000048334772 436448807 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CCc1ncnc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1F ZINC000096489045 436533198 /nfs/dbraw/zinc/53/31/98/436533198.db2.gz QYOMEMFOLLHIAE-GFCCVEGCSA-N 1 0 342.440 0.924 50 0 ECAARO CC1CC[NH+](C[C@H](O)CN2CCc3ncnc(N(C)C)c3C2)CC1 ZINC000097200408 436541037 /nfs/dbraw/zinc/54/10/37/436541037.db2.gz CFSIEJVPVRFKQH-HNNXBMFYSA-N 1 0 333.480 0.994 50 0 ECAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1c[nH]c(=O)c2ccccc12 ZINC000097759208 436543714 /nfs/dbraw/zinc/54/37/14/436543714.db2.gz SGNOUFSNUZRZTN-CYBMUJFWSA-N 1 0 329.400 0.962 50 0 ECAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055109294 436566969 /nfs/dbraw/zinc/56/69/69/436566969.db2.gz SAZPZXJCKSCTKO-GFCCVEGCSA-N 1 0 335.452 0.863 50 0 ECAARO COc1cccc(CN[C@@H]2C[NH2+]C[C@H]2O)c1OCCn1ccnc1 ZINC000055383452 436576280 /nfs/dbraw/zinc/57/62/80/436576280.db2.gz DLAOWNXQSQFKEQ-HUUCEWRRSA-N 1 0 332.404 0.393 50 0 ECAARO Cc1csc(NC(=O)C2CC[NH+](CCC(=O)NC(N)=O)CC2)n1 ZINC000058355626 436624289 /nfs/dbraw/zinc/62/42/89/436624289.db2.gz ODNHPVALGCSSMW-UHFFFAOYSA-N 1 0 339.421 0.687 50 0 ECAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CCC(=O)N1CCOCC1 ZINC000058413971 436625735 /nfs/dbraw/zinc/62/57/35/436625735.db2.gz KWLBRRVBJWAYNJ-UHFFFAOYSA-N 1 0 337.468 0.948 50 0 ECAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000106169444 436590645 /nfs/dbraw/zinc/59/06/45/436590645.db2.gz TVASSDOLROEYPO-XQQFMLRXSA-N 1 0 326.441 0.847 50 0 ECAARO Cc1nnc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CCO)CC3)s1 ZINC000107672210 436612535 /nfs/dbraw/zinc/61/25/35/436612535.db2.gz ROABPLMMOFTNBG-OAHLLOKOSA-N 1 0 339.465 0.342 50 0 ECAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)NC3)cn2)CC1 ZINC000061646853 436637994 /nfs/dbraw/zinc/63/79/94/436637994.db2.gz HBGBIZPIYWITGH-OAHLLOKOSA-N 1 0 345.447 0.366 50 0 ECAARO C[C@H](NS(C)(=O)=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000063732082 436645381 /nfs/dbraw/zinc/64/53/81/436645381.db2.gz WQZGMWHVYGVCSH-ZDUSSCGKSA-N 1 0 339.461 0.836 50 0 ECAARO CS(=O)(=O)c1ccc(OCCCN2CC[NH+](CCO)CC2)cc1 ZINC000063285499 436642889 /nfs/dbraw/zinc/64/28/89/436642889.db2.gz PTBDKYVYLJPGDO-UHFFFAOYSA-N 1 0 342.461 0.469 50 0 ECAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000065407546 436659607 /nfs/dbraw/zinc/65/96/07/436659607.db2.gz SBQXIGBGTPEEHR-UHFFFAOYSA-N 1 0 328.372 0.573 50 0 ECAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000065363068 436655192 /nfs/dbraw/zinc/65/51/92/436655192.db2.gz HHAULMKZBPSHSR-OAHLLOKOSA-N 1 0 345.509 0.896 50 0 ECAARO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCC1 ZINC000065374606 436655196 /nfs/dbraw/zinc/65/51/96/436655196.db2.gz LSSASLJPXFCDNW-LLVKDONJSA-N 1 0 325.434 0.871 50 0 ECAARO Cc1[nH+]c(N(C)C)nc(N2CCN(c3cc(=O)nc(N)[nH]3)CC2)c1C ZINC000065371777 436655535 /nfs/dbraw/zinc/65/55/35/436655535.db2.gz OVBSSYBNIBSDSZ-UHFFFAOYSA-N 1 0 344.423 0.152 50 0 ECAARO CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000065399512 436658106 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CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)no1 ZINC000076047419 202385876 /nfs/dbraw/zinc/38/58/76/202385876.db2.gz YTGQOQYOAVMSFK-GJZGRUSLSA-N 1 0 348.451 0.957 50 0 ECAARO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000229495579 201040930 /nfs/dbraw/zinc/04/09/30/201040930.db2.gz GCPRBBFEOHSLBN-KFWWJZLASA-N 1 0 345.447 0.768 50 0 ECAARO C[C@@H]1CN(CCN2C(=O)CNC2=O)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229544835 201041272 /nfs/dbraw/zinc/04/12/72/201041272.db2.gz QGMFUSLKXVTTLO-GDBMZVCRSA-N 1 0 346.431 0.278 50 0 ECAARO CC[C@@H]1CN([C@@H](C)C(=O)N2CCN(CC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000241371330 201152618 /nfs/dbraw/zinc/15/26/18/201152618.db2.gz MMRUIOZJBSDBAY-YESZJQIVSA-N 1 0 340.512 0.316 50 0 ECAARO Cc1nc(NC(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nn1C(C)C ZINC000023478560 212379909 /nfs/dbraw/zinc/37/99/09/212379909.db2.gz RQPSFJCEFBKYHO-GFCCVEGCSA-N 1 0 337.428 0.486 50 0 ECAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc3n[nH]nc3c1)CC2 ZINC000215632149 241136505 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COc1ccccc1NC(=O)N(C)C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000069780147 203049922 /nfs/dbraw/zinc/04/99/22/203049922.db2.gz QQNQUGJSOGAFMB-CQSZACIVSA-N 1 0 336.436 0.767 50 0 ECAARO Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000069871432 203058542 /nfs/dbraw/zinc/05/85/42/203058542.db2.gz RYPDSMQBCWUAKG-ZDUSSCGKSA-N 1 0 344.415 0.230 50 0 ECAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CCOCC1 ZINC000069971708 203065923 /nfs/dbraw/zinc/06/59/23/203065923.db2.gz QJJKUKAKBLLNHN-OAHLLOKOSA-N 1 0 328.457 0.071 50 0 ECAARO C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000071799462 203115301 /nfs/dbraw/zinc/11/53/01/203115301.db2.gz YCFPUKRYCGELNG-HUUCEWRRSA-N 1 0 338.452 0.504 50 0 ECAARO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCCc2ccsc2)C[C@H]1C ZINC000071864553 203132895 /nfs/dbraw/zinc/13/28/95/203132895.db2.gz SVHHZUVVMXDWBD-ZIAGYGMSSA-N 1 0 325.478 0.794 50 0 ECAARO COc1ccc2[nH]c(CCN(C)C(=O)C[C@@H]3COCC[NH2+]3)nc2c1 ZINC000072134651 203165907 /nfs/dbraw/zinc/16/59/07/203165907.db2.gz 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Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000077524883 203394243 /nfs/dbraw/zinc/39/42/43/203394243.db2.gz WQFSJOFYTHIHJI-CQSZACIVSA-N 1 0 348.447 0.639 50 0 ECAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NC(C)(C)c2nnc(N)s2)C1 ZINC000097642017 203955641 /nfs/dbraw/zinc/95/56/41/203955641.db2.gz IWSOSDQNPAWMIO-SNVBAGLBSA-N 1 0 327.454 0.971 50 0 ECAARO C[NH+](C)CCCNc1c(=O)c(=O)c1NCC(C)(C)N1CCOCC1 ZINC000101687325 204019398 /nfs/dbraw/zinc/01/93/98/204019398.db2.gz DQTIDRMSUNCFJR-UHFFFAOYSA-N 1 0 338.452 0.169 50 0 ECAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)c1ccc(C(C)C)n(C)c1=O ZINC000065404362 291520362 /nfs/dbraw/zinc/52/03/62/291520362.db2.gz NQTSLEXWLJBZSD-DOMZBBRYSA-N 1 0 349.431 0.826 50 0 ECAARO COc1ccccc1-n1cc(S(=O)(=O)N2CCC[NH2+]CC2)cn1 ZINC000237110036 204381599 /nfs/dbraw/zinc/38/15/99/204381599.db2.gz BHSSSFMQHHWELD-UHFFFAOYSA-N 1 0 336.417 0.865 50 0 ECAARO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000249430983 206358321 /nfs/dbraw/zinc/35/83/21/206358321.db2.gz GZBMFWTUGIWVQO-WMLDXEAASA-N 1 0 337.489 0.988 50 0 ECAARO COCC[NH+]1CCC2(CCN(C(=O)c3cn[nH]c3)C[C@@H]2CO)CC1 ZINC000097773060 285014089 /nfs/dbraw/zinc/01/40/89/285014089.db2.gz KNEFPONMXQCJJR-OAHLLOKOSA-N 1 0 336.436 0.593 50 0 ECAARO CCn1c(C)ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c1=O ZINC000299790882 258096770 /nfs/dbraw/zinc/09/67/70/258096770.db2.gz YHSNBFFUWYLAPL-HOTGVXAUSA-N 1 0 333.432 0.848 50 0 ECAARO Cc1nc2cc(CC(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2[nH]1 ZINC000299795821 258100280 /nfs/dbraw/zinc/10/02/80/258100280.db2.gz LCRYBCLUKALMNS-AWEZNQCLSA-N 1 0 343.431 0.727 50 0 ECAARO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[NH2+]CC2 ZINC000299801152 258104097 /nfs/dbraw/zinc/10/40/97/258104097.db2.gz VBAUTIGWMFLKFS-UHFFFAOYSA-N 1 0 345.403 0.019 50 0 ECAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000215963813 258072255 /nfs/dbraw/zinc/07/22/55/258072255.db2.gz CHYNGFAWCRYBCO-CQSZACIVSA-N 1 0 339.386 0.988 50 0 ECAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000299756657 258074825 /nfs/dbraw/zinc/07/48/25/258074825.db2.gz CTCWYEVTEROVFT-KBPBESRZSA-N 1 0 341.433 0.931 50 0 ECAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)Nc2cccc3c[nH]nc32)C1 ZINC000299763007 258079078 /nfs/dbraw/zinc/07/90/78/258079078.db2.gz ODTCVAISZXGAGA-GFCCVEGCSA-N 1 0 330.392 0.882 50 0 ECAARO NC(=O)[C@H]1CCC[N@H+](CCNC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000299767349 258082188 /nfs/dbraw/zinc/08/21/88/258082188.db2.gz GCQOYKDQPYNFOE-HNNXBMFYSA-N 1 0 331.416 0.939 50 0 ECAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2ncccn2)[nH+]1 ZINC000056906804 132198315 /nfs/dbraw/zinc/19/83/15/132198315.db2.gz NHFMVMQHIBVYIO-UHFFFAOYSA-N 1 0 343.391 0.254 50 0 ECAARO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)cn1 ZINC000091474545 292069294 /nfs/dbraw/zinc/06/92/94/292069294.db2.gz BOWOFPXMOAYIOG-IAGOWNOFSA-N 1 0 334.464 0.564 50 0 ECAARO COc1cc(C)ccc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091974033 286211496 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C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000071793090 203112601 /nfs/dbraw/zinc/11/26/01/203112601.db2.gz TVFDUZWELIFDQZ-GFCCVEGCSA-N 1 0 346.387 0.682 50 0 ECAARO CC(=O)N1CCc2c(nc(C)nc2N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)C1 ZINC000071768015 203111438 /nfs/dbraw/zinc/11/14/38/203111438.db2.gz XSLJCUCVJMAXFE-IRXDYDNUSA-N 1 0 345.447 0.335 50 0 ECAARO O=C1CCC(=O)N1C[C@H](O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000071898290 203142704 /nfs/dbraw/zinc/14/27/04/203142704.db2.gz JKNNLPSLPMTJPW-VQIMIIECSA-N 1 0 346.427 0.942 50 0 ECAARO O=C1CCC(=O)N1C[C@@H](O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000071898287 203143147 /nfs/dbraw/zinc/14/31/47/203143147.db2.gz JKNNLPSLPMTJPW-LPHOPBHVSA-N 1 0 346.427 0.942 50 0 ECAARO COc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072128149 203164558 /nfs/dbraw/zinc/16/45/58/203164558.db2.gz USHUSUCKGOEBAN-FZKCQIBNSA-N 1 0 334.416 0.375 50 0 ECAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000072149209 203172210 /nfs/dbraw/zinc/17/22/10/203172210.db2.gz ZPZOTNTXAUXILG-KRWDZBQOSA-N 1 0 344.419 0.581 50 0 ECAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2c(=O)[nH]c(-c3ccccc3)nc2C1 ZINC000072154101 203174728 /nfs/dbraw/zinc/17/47/28/203174728.db2.gz XINQSVHWUHQZAP-OCCSQVGLSA-N 1 0 340.383 0.044 50 0 ECAARO Cc1ncc2c(c1CNC(=O)[C@H]1CCCCn3nnnc31)CC[NH2+]C2 ZINC000072158627 203176000 /nfs/dbraw/zinc/17/60/00/203176000.db2.gz GDKBBEVNHZQEDI-AWEZNQCLSA-N 1 0 341.419 0.606 50 0 ECAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cnc(-c3ccccn3)nc2)C1 ZINC000072159171 203176774 /nfs/dbraw/zinc/17/67/74/203176774.db2.gz SGBZDQKLUKGGAC-QGZVFWFLSA-N 1 0 327.388 0.677 50 0 ECAARO Cc1nc(N(C)C)ncc1C(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072164200 203177251 /nfs/dbraw/zinc/17/72/51/203177251.db2.gz LUJSFYJRPSTBMV-UHFFFAOYSA-N 1 0 347.463 0.912 50 0 ECAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c(=O)n1C ZINC000072165427 203179156 /nfs/dbraw/zinc/17/91/56/203179156.db2.gz POGKXGLVGIYHHR-HNNXBMFYSA-N 1 0 333.432 0.755 50 0 ECAARO O=C(C[C@@H]1COCC[NH2+]1)NCc1noc(-c2ccc3c(c2)OCO3)n1 ZINC000072165805 203179353 /nfs/dbraw/zinc/17/93/53/203179353.db2.gz FXUXSLSIBHPLLG-LLVKDONJSA-N 1 0 346.343 0.460 50 0 ECAARO CN(CC[NH+](C)C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000072313050 203200179 /nfs/dbraw/zinc/20/01/79/203200179.db2.gz RGXQCBUAQZKSCX-UHFFFAOYSA-N 1 0 328.438 0.433 50 0 ECAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000072479459 203232438 /nfs/dbraw/zinc/23/24/38/203232438.db2.gz QMAIVTXHUQHYRM-AWEZNQCLSA-N 1 0 334.468 0.679 50 0 ECAARO NS(=O)(=O)c1cccc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)c1 ZINC000072480636 203232882 /nfs/dbraw/zinc/23/28/82/203232882.db2.gz ADWJXXXLXVWTTR-UHFFFAOYSA-N 1 0 344.400 0.486 50 0 ECAARO CS(=O)(=O)c1cnc(NCCCCO)nc1[C@@H]1CCC[NH2+]C1 ZINC000072407924 203215794 /nfs/dbraw/zinc/21/57/94/203215794.db2.gz KOKVNQKAOWKDNQ-LLVKDONJSA-N 1 0 328.438 0.532 50 0 ECAARO CC(C)(CO)CNc1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000072411405 203218069 /nfs/dbraw/zinc/21/80/69/203218069.db2.gz GSNPSDCRPHLGHL-NSHDSACASA-N 1 0 342.465 0.778 50 0 ECAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CCC[C@H]1Cn1cccn1 ZINC000072423458 203220490 /nfs/dbraw/zinc/22/04/90/203220490.db2.gz HCPLXMGJSYSNRU-HNNXBMFYSA-N 1 0 328.420 0.807 50 0 ECAARO [NH3+]CCn1cc(C(=O)N2CCC[C@]3(C2)C(=O)Nc2ccccc23)nn1 ZINC000077393455 203386601 /nfs/dbraw/zinc/38/66/01/203386601.db2.gz DITIHMGFGZZNSL-QGZVFWFLSA-N 1 0 340.387 0.363 50 0 ECAARO COc1ccc(-c2cc(CNC(=O)c3cn(CC[NH3+])nn3)no2)cc1 ZINC000077420470 203387597 /nfs/dbraw/zinc/38/75/97/203387597.db2.gz TWEJTIURNMADFK-UHFFFAOYSA-N 1 0 342.359 0.830 50 0 ECAARO COc1ccc(-c2cc(CNC[C@]3(O)C[NH2+]CCOC3)no2)cc1 ZINC000077487541 203391074 /nfs/dbraw/zinc/39/10/74/203391074.db2.gz HFENRUPAJGCPPD-QGZVFWFLSA-N 1 0 333.388 0.791 50 0 ECAARO C[NH2+]Cc1nc(-c2csc(C)n2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000096138014 203841752 /nfs/dbraw/zinc/84/17/52/203841752.db2.gz BSCROMLLRQBEJA-SECBINFHSA-N 1 0 327.435 0.789 50 0 ECAARO C[NH+](C)CCNc1c(=O)c(=O)c1N1CCN(c2ccc(F)cc2)CC1 ZINC000101705519 204019357 /nfs/dbraw/zinc/01/93/57/204019357.db2.gz FMRCDPJNRMOZKB-UHFFFAOYSA-N 1 0 346.406 0.722 50 0 ECAARO O=C(NCc1cc2n(n1)CCC[N@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2)C1CCC1 ZINC000102806826 204050767 /nfs/dbraw/zinc/05/07/67/204050767.db2.gz JXDUBCNFDACAJN-PIIMJCKOSA-N 1 0 343.475 0.971 50 0 ECAARO C[C@H](CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000106099567 204184982 /nfs/dbraw/zinc/18/49/82/204184982.db2.gz WXJRGYMMXKZRTN-MGPQQGTHSA-N 1 0 331.482 0.935 50 0 ECAARO C[NH2+]CC(=O)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 ZINC000091452491 218008893 /nfs/dbraw/zinc/00/88/93/218008893.db2.gz BMSYQDUUOJMWLU-UHFFFAOYSA-N 1 0 344.423 0.178 50 0 ECAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[C@H]1C[NH3+] ZINC000299740272 296398724 /nfs/dbraw/zinc/39/87/24/296398724.db2.gz XUULQHBQICABMD-ABAIWWIYSA-N 1 0 337.445 0.720 50 0 ECAARO CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000496469410 255102733 /nfs/dbraw/zinc/10/27/33/255102733.db2.gz LVHWRJLWSIDMFI-UONOGXRCSA-N 1 0 338.452 0.502 50 0 ECAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1cnc2ccccn2c1=O ZINC000299791553 258096712 /nfs/dbraw/zinc/09/67/12/258096712.db2.gz GYGYYRHNKFPIIY-GJZGRUSLSA-N 1 0 342.399 0.678 50 0 ECAARO COCCc1noc([C@H](C)NC(=O)CCN2CC[NH+](C)CC2)n1 ZINC000299792668 258098250 /nfs/dbraw/zinc/09/82/50/258098250.db2.gz GMBDQHWVPPKLQT-LBPRGKRZSA-N 1 0 325.413 0.073 50 0 ECAARO CO[C@]12CC[N@H+](Cc3cc(=O)n4cccc(O)c4n3)[C@H]1C[C@H](O)CC2 ZINC000299797718 258101782 /nfs/dbraw/zinc/10/17/82/258101782.db2.gz QAZCOXSEIGPBKA-QIIPPGSGSA-N 1 0 345.399 0.904 50 0 ECAARO C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3c(=O)cnc4ccccc43)[C@H]2C1 ZINC000285935466 264353546 /nfs/dbraw/zinc/35/35/46/264353546.db2.gz VIGQNLACHAXGID-HOTGVXAUSA-N 1 0 342.399 0.328 50 0 ECAARO COC(=O)Cn1cc(CN2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)nn1 ZINC000294608087 265009518 /nfs/dbraw/zinc/00/95/18/265009518.db2.gz VTXVGAVBWROXRX-XBFCOCLRSA-N 1 0 336.392 0.757 50 0 ECAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020566078 277218995 /nfs/dbraw/zinc/21/89/95/277218995.db2.gz QJIUVPWGPQBSDY-GGKRTUSVSA-N 1 0 347.346 0.212 50 0 ECAARO COc1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1C ZINC000091433777 278007756 /nfs/dbraw/zinc/00/77/56/278007756.db2.gz MUVKHOFFCIOCBC-HUUCEWRRSA-N 1 0 336.432 0.608 50 0 ECAARO Cc1ncncc1C(=O)N1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091604264 279177070 /nfs/dbraw/zinc/17/70/70/279177070.db2.gz ILCKNMOGAFJKFT-HZPDHXFCSA-N 1 0 347.463 0.103 50 0 ECAARO CCS(=O)(=O)N(C)C1CC[NH+](CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408522576 280006472 /nfs/dbraw/zinc/00/64/72/280006472.db2.gz BJSZISMKRLOKAC-HUUCEWRRSA-N 1 0 347.525 0.842 50 0 ECAARO O=C(COCC(F)(F)C(F)F)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072151163 295525739 /nfs/dbraw/zinc/52/57/39/295525739.db2.gz AQDGCRQCVUCOJC-LBPRGKRZSA-N 1 0 344.305 0.121 50 0 ECAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(F)c1 ZINC000070039744 435986205 /nfs/dbraw/zinc/98/62/05/435986205.db2.gz ITRNMPKZIWRDNU-CYBMUJFWSA-N 1 0 336.411 0.825 50 0 ECAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000000347658 435953300 /nfs/dbraw/zinc/95/33/00/435953300.db2.gz FNSQMPUHNSQPHK-UHFFFAOYSA-N 1 0 327.406 0.167 50 0 ECAARO CCN(C)S(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000072708164 436052706 /nfs/dbraw/zinc/05/27/06/436052706.db2.gz OJFQCJRXNDJZJV-UHFFFAOYSA-N 1 0 341.481 0.510 50 0 ECAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CNS(C)(=O)=O)C1 ZINC000072156400 436032890 /nfs/dbraw/zinc/03/28/90/436032890.db2.gz GOUKRZXCSSLZKT-HNNXBMFYSA-N 1 0 339.461 0.659 50 0 ECAARO O=C(CCC(=O)N1CCO[C@@]2(C1)C[NH2+]CCOC2)NC1CCCC1 ZINC000072152061 436034871 /nfs/dbraw/zinc/03/48/71/436034871.db2.gz QZJMYXBFGXCDER-QGZVFWFLSA-N 1 0 339.436 0.043 50 0 ECAARO O=C(CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC000072274039 436038425 /nfs/dbraw/zinc/03/84/25/436038425.db2.gz MJYYLNYARHSQBL-CABCVRRESA-N 1 0 338.452 0.598 50 0 ECAARO C[N@@H+]1CCC[C@H]1CCNc1nc2nonc2nc1N1CCOCC1 ZINC000012054281 436046946 /nfs/dbraw/zinc/04/69/46/436046946.db2.gz CZDJNSMZJHVZMQ-NSHDSACASA-N 1 0 333.396 0.746 50 0 ECAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH+]1CCC2(CC1)OCCO2 ZINC000011953766 436047651 /nfs/dbraw/zinc/04/76/51/436047651.db2.gz AEFKVQGWCXPXQB-QGZVFWFLSA-N 1 0 338.448 0.979 50 0 ECAARO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC[NH+]1CCCC1 ZINC000014066161 436068573 /nfs/dbraw/zinc/06/85/73/436068573.db2.gz MWJKIYZTOCBGRJ-UHFFFAOYSA-N 1 0 330.388 0.292 50 0 ECAARO Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCC(N)=O)CC2)cc1 ZINC000016428212 436092580 /nfs/dbraw/zinc/09/25/80/436092580.db2.gz ILTMAZPCLHENRS-UHFFFAOYSA-N 1 0 325.434 0.567 50 0 ECAARO COc1cc2ncn(CCC(=O)NCC[NH+](C)C)c(=O)c2cc1OC ZINC000032124060 436235267 /nfs/dbraw/zinc/23/52/67/436235267.db2.gz HCLJPLTZSOPJAO-UHFFFAOYSA-N 1 0 348.403 0.482 50 0 ECAARO C[C@@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000076058282 436189897 /nfs/dbraw/zinc/18/98/97/436189897.db2.gz WUYXXOGRRJOIJU-PWSUYJOCSA-N 1 0 338.433 0.105 50 0 ECAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000040473187 436264836 /nfs/dbraw/zinc/26/48/36/436264836.db2.gz JXRCKYKSSAAFTE-BETUJISGSA-N 1 0 333.436 0.802 50 0 ECAARO CS(=O)(=O)NCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000042476144 436304484 /nfs/dbraw/zinc/30/44/84/436304484.db2.gz SIXKUXXEYHJJNL-CYBMUJFWSA-N 1 0 343.449 0.862 50 0 ECAARO CN(C)S(=O)(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082134356 436361725 /nfs/dbraw/zinc/36/17/25/436361725.db2.gz JAGOIAUKSOVHRZ-UHFFFAOYSA-N 1 0 341.481 0.927 50 0 ECAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1nccnc1C(=O)N1CCCCC1 ZINC000082135169 436362156 /nfs/dbraw/zinc/36/21/56/436362156.db2.gz JXGUDWLESUPXHR-RYUDHWBXSA-N 1 0 335.383 0.533 50 0 ECAARO CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2nnc3ccccc32)CC1 ZINC000046946628 436405765 /nfs/dbraw/zinc/40/57/65/436405765.db2.gz ZCIAPNRSFYSBDE-AWEZNQCLSA-N 1 0 330.436 0.574 50 0 ECAARO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044934406 436354547 /nfs/dbraw/zinc/35/45/47/436354547.db2.gz UZLLIXKKQFZRTH-GXTWGEPZSA-N 1 0 329.466 0.401 50 0 ECAARO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cn(CC[NH3+])nn1 ZINC000091350587 436448663 /nfs/dbraw/zinc/44/86/63/436448663.db2.gz CCPCIBJERUDMDB-CQSZACIVSA-N 1 0 328.420 0.835 50 0 ECAARO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)n1cccn1 ZINC000048325724 436449160 /nfs/dbraw/zinc/44/91/60/436449160.db2.gz GFJSWGGSURVWGZ-CVEARBPZSA-N 1 0 335.452 0.214 50 0 ECAARO CC[N@H+](CCc1ccccc1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000048355396 436450551 /nfs/dbraw/zinc/45/05/51/436450551.db2.gz RUSKFVKMGGTAPK-UHFFFAOYSA-N 1 0 344.415 0.414 50 0 ECAARO CN1CC[C@]2(CN(C(=O)c3cccc(CO)n3)CC[N@@H+]2C)CCC1=O ZINC000091493836 436452655 /nfs/dbraw/zinc/45/26/55/436452655.db2.gz GOLDIGZENFTXRO-SFHVURJKSA-N 1 0 346.431 0.343 50 0 ECAARO OCC(CO)[NH+]1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000091625331 436455620 /nfs/dbraw/zinc/45/56/20/436455620.db2.gz PQFBVCRXZMJMPJ-UHFFFAOYSA-N 1 0 346.435 0.390 50 0 ECAARO CN1CCC[N@H+](C[C@@H]2CN(C(=O)c3ccc(O)cc3)C[C@@H]2CO)CC1 ZINC000091645201 436456617 /nfs/dbraw/zinc/45/66/17/436456617.db2.gz LYWQKXUGLNQYPO-IAGOWNOFSA-N 1 0 347.459 0.710 50 0 ECAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@@H]1CO ZINC000091649690 436456983 /nfs/dbraw/zinc/45/69/83/436456983.db2.gz HVZGRBARZQHSAP-HZPDHXFCSA-N 1 0 337.464 0.901 50 0 ECAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)Cn2nccc2C)C1 ZINC000091691676 436457058 /nfs/dbraw/zinc/45/70/58/436457058.db2.gz NTSUKGOZUJRPKY-CVEARBPZSA-N 1 0 338.452 0.227 50 0 ECAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@@H]1CO ZINC000091725250 436459361 /nfs/dbraw/zinc/45/93/61/436459361.db2.gz UTXZGIHCIZUACM-GHMZBOCLSA-N 1 0 346.349 0.709 50 0 ECAARO COc1cccc(C)c1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000092038146 436467765 /nfs/dbraw/zinc/46/77/65/436467765.db2.gz QJLVZEXMBRYGMX-HUUCEWRRSA-N 1 0 336.432 0.608 50 0 ECAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000091820196 436460583 /nfs/dbraw/zinc/46/05/83/436460583.db2.gz FUBPVHNWLQOWNH-KRWDZBQOSA-N 1 0 343.431 0.503 50 0 ECAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)cnc1C ZINC000091943656 436463908 /nfs/dbraw/zinc/46/39/08/436463908.db2.gz QJTBKRCFKYDDHV-QZTJIDSGSA-N 1 0 348.491 0.872 50 0 ECAARO CC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000089977179 436423634 /nfs/dbraw/zinc/42/36/34/436423634.db2.gz XFESHFSVIFBGJF-GFCCVEGCSA-N 1 0 332.470 0.051 50 0 ECAARO CC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000089977180 436423668 /nfs/dbraw/zinc/42/36/68/436423668.db2.gz XFESHFSVIFBGJF-LBPRGKRZSA-N 1 0 332.470 0.051 50 0 ECAARO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCc1ccccc1 ZINC000053047871 436521980 /nfs/dbraw/zinc/52/19/80/436521980.db2.gz URSBVCPFUNWMHU-GFCCVEGCSA-N 1 0 344.415 0.412 50 0 ECAARO CCc1n[nH]c2c1CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)CC2 ZINC000095360022 436491901 /nfs/dbraw/zinc/49/19/01/436491901.db2.gz IXRCSTALQPXOJR-LBPRGKRZSA-N 1 0 333.436 0.267 50 0 ECAARO Cn1c(=O)cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)n(C)c1=O ZINC000095521407 436498434 /nfs/dbraw/zinc/49/84/34/436498434.db2.gz NYRBBGZKUUISSS-ZIAGYGMSSA-N 1 0 346.431 0.030 50 0 ECAARO CC(C)CCN1C(=O)N(Cc2nncn2C)C(=O)C12CC[NH2+]CC2 ZINC000095527478 436500227 /nfs/dbraw/zinc/50/02/27/436500227.db2.gz LJHYHUXZQJXYRZ-UHFFFAOYSA-N 1 0 334.424 0.748 50 0 ECAARO CNC(=O)CC[N@H+](C)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000095954950 436501250 /nfs/dbraw/zinc/50/12/50/436501250.db2.gz QZGFOCMMDFWKJL-UHFFFAOYSA-N 1 0 332.448 0.399 50 0 ECAARO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CCC(=O)OC(C)C ZINC000096007156 436503612 /nfs/dbraw/zinc/50/36/12/436503612.db2.gz UWGHERQEDPTLIP-CYBMUJFWSA-N 1 0 329.441 0.810 50 0 ECAARO CN(CC(=O)NCC[NH+](C)C)C(=O)c1cc(-c2cccn2C)on1 ZINC000096210198 436524961 /nfs/dbraw/zinc/52/49/61/436524961.db2.gz FWKDYZNBGLIJHY-UHFFFAOYSA-N 1 0 333.392 0.430 50 0 ECAARO Cn1cc(CCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)cn1 ZINC000096407665 436532590 /nfs/dbraw/zinc/53/25/90/436532590.db2.gz RAJDDSOOCOKPMT-HUUCEWRRSA-N 1 0 326.466 0.204 50 0 ECAARO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)Cn3cccnc3=O)O2)CC1 ZINC000097076729 436537048 /nfs/dbraw/zinc/53/70/48/436537048.db2.gz WRXDUCJJZQOAAC-HNNXBMFYSA-N 1 0 348.447 0.782 50 0 ECAARO O=C(Nc1cnc2sccn2c1=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000097819505 436543641 /nfs/dbraw/zinc/54/36/41/436543641.db2.gz NTSCLWVNFACOQZ-RYUDHWBXSA-N 1 0 349.416 0.741 50 0 ECAARO O=C(CCC(=O)NC1CCCC1)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000055393061 436577126 /nfs/dbraw/zinc/57/71/26/436577126.db2.gz ZTTGOPVTJQALDE-AWEZNQCLSA-N 1 0 325.453 0.646 50 0 ECAARO COCC[N@H+](C)C[C@@H]1CCCN1CC(=O)NCCCOC(C)C ZINC000058427400 436626434 /nfs/dbraw/zinc/62/64/34/436626434.db2.gz QDHHPZCDZIYZTI-INIZCTEOSA-N 1 0 329.485 0.960 50 0 ECAARO C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000106567314 436599347 /nfs/dbraw/zinc/59/93/47/436599347.db2.gz DLDMFUSBVOURSC-UONOGXRCSA-N 1 0 346.497 0.394 50 0 ECAARO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(c3nccs3)CC2)C[C@@H](C)O1 ZINC000106629910 436600058 /nfs/dbraw/zinc/60/00/58/436600058.db2.gz XXOGFBYQIGCBOP-KFWWJZLASA-N 1 0 340.493 0.735 50 0 ECAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC000107058215 436609094 /nfs/dbraw/zinc/60/90/94/436609094.db2.gz UKSPMGKXWYZPEY-KSSFIOAISA-N 1 0 333.480 0.984 50 0 ECAARO COc1ccc([C@H](CNC2=[NH+]CCN2)N2CCOCC2)cc1OC ZINC000058184983 436621340 /nfs/dbraw/zinc/62/13/40/436621340.db2.gz OLHVMMMFMJCWJK-AWEZNQCLSA-N 1 0 334.420 0.626 50 0 ECAARO CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000060061265 436632256 /nfs/dbraw/zinc/63/22/56/436632256.db2.gz BYQSRSUVVRCYQZ-AWEZNQCLSA-N 1 0 349.456 0.975 50 0 ECAARO O=c1cc(N2CCN(C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)CC2)cn[nH]1 ZINC000063882803 436647335 /nfs/dbraw/zinc/64/73/35/436647335.db2.gz WZTSQGLWRTZZKB-SJLPKXTDSA-N 1 0 347.463 0.271 50 0 ECAARO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3COCC[C@H]3O)CC2)c1 ZINC000220688272 436699102 /nfs/dbraw/zinc/69/91/02/436699102.db2.gz LBZFSPMOPRQCJO-QZTJIDSGSA-N 1 0 347.459 0.773 50 0 ECAARO Cn1c(CN2CCC(O)(c3cccnc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222317579 436702506 /nfs/dbraw/zinc/70/25/06/436702506.db2.gz UDDPREAEOCLSDV-OTVXOJSOSA-N 1 0 342.447 0.898 50 0 ECAARO C[NH+]1CCN(c2ccc(C(=O)NCCc3nc(N)n[nH]3)cc2)CC1 ZINC000223650071 436707558 /nfs/dbraw/zinc/70/75/58/436707558.db2.gz UVFWLQFLHPNPLN-UHFFFAOYSA-N 1 0 329.408 0.111 50 0 ECAARO O=C(Cc1csc(N2CCCNC2=O)n1)NC[C@H]1CCCC[NH2+]1 ZINC000225467998 436709751 /nfs/dbraw/zinc/70/97/51/436709751.db2.gz XVBPTTGJFYSSGV-LLVKDONJSA-N 1 0 337.449 0.864 50 0 ECAARO CN(CC1([NH+](C)C)CCC1)c1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000225489315 436710252 /nfs/dbraw/zinc/71/02/52/436710252.db2.gz HLLJCNKADFOALD-UHFFFAOYSA-N 1 0 332.452 0.676 50 0 ECAARO O=c1[nH]nc2c(N3CCC[C@@H]([NH2+]Cc4cccnc4)C3)nccn12 ZINC000067350069 436712334 /nfs/dbraw/zinc/71/23/34/436712334.db2.gz JMNYGJWLAVNMNX-CYBMUJFWSA-N 1 0 325.376 0.571 50 0 ECAARO CC1(C)NC(=O)N(CC[N@@H+]2CCCN(c3nccs3)CC2)C1=O ZINC000065459028 436662991 /nfs/dbraw/zinc/66/29/91/436662991.db2.gz VXNYNJNXAMXMSR-UHFFFAOYSA-N 1 0 337.449 0.986 50 0 ECAARO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)no1 ZINC000229297218 436714233 /nfs/dbraw/zinc/71/42/33/436714233.db2.gz YTGQOQYOAVMSFK-HUUCEWRRSA-N 1 0 348.451 0.957 50 0 ECAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H]3C(N)=O)cnn2c1 ZINC000067688606 436720298 /nfs/dbraw/zinc/72/02/98/436720298.db2.gz MCAYJVCFOZTXCM-AWEZNQCLSA-N 1 0 344.419 0.661 50 0 ECAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2ccccc2[nH]c1=O ZINC000067691285 436720521 /nfs/dbraw/zinc/72/05/21/436720521.db2.gz RDOIRXGKWHUKHH-WFASDCNBSA-N 1 0 342.399 0.595 50 0 ECAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H]3CCCNC3=O)cnn2c1 ZINC000067843567 436726473 /nfs/dbraw/zinc/72/64/73/436726473.db2.gz PHTWTXXBRRFKLS-AWEZNQCLSA-N 1 0 344.419 0.580 50 0 ECAARO CCn1c(=O)n(Cc2ccc(C(=O)NC)o2)nc1[C@H]1CCC[NH2+]C1 ZINC000067855790 436727043 /nfs/dbraw/zinc/72/70/43/436727043.db2.gz LWRHXKRYNMKYBK-NSHDSACASA-N 1 0 333.392 0.533 50 0 ECAARO Cc1cc(CC(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)[nH]n1 ZINC000152337774 436727087 /nfs/dbraw/zinc/72/70/87/436727087.db2.gz KCDIOSXQGCNZCQ-QGZVFWFLSA-N 1 0 349.479 0.514 50 0 ECAARO Cc1c(C[NH2+]CCCc2nn[nH]n2)c2ccccc2n1CC(N)=O ZINC000067868546 436727733 /nfs/dbraw/zinc/72/77/33/436727733.db2.gz OPGSZXDCJKEIBU-UHFFFAOYSA-N 1 0 327.392 0.671 50 0 ECAARO Cc1nc2ncccn2c1C(=O)N[C@@H](C)c1nnc2n1CC[NH2+]CC2 ZINC000067895295 436727784 /nfs/dbraw/zinc/72/77/84/436727784.db2.gz ICIVMBBGKVGCCQ-NSHDSACASA-N 1 0 340.391 0.266 50 0 ECAARO Cc1cc(CC(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)[nH]n1 ZINC000152337869 436728303 /nfs/dbraw/zinc/72/83/03/436728303.db2.gz KCDIOSXQGCNZCQ-KRWDZBQOSA-N 1 0 349.479 0.514 50 0 ECAARO CCOc1ccc2[nH]c(=O)c(C[NH+]3C[C@@H](CO)[C@H](CO)C3)cc2c1 ZINC000067935368 436728372 /nfs/dbraw/zinc/72/83/72/436728372.db2.gz XDJXUCDVUKSSBG-GJZGRUSLSA-N 1 0 332.400 0.959 50 0 ECAARO CN(C)C(=O)C[NH2+]C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067908674 436729036 /nfs/dbraw/zinc/72/90/36/436729036.db2.gz YSNUAVSPZQKVTR-IBGZPJMESA-N 1 0 347.459 0.651 50 0 ECAARO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)C(=O)N3CCOCC3)C2)oc1C ZINC000067974720 436730870 /nfs/dbraw/zinc/73/08/70/436730870.db2.gz SGXYLXWTSQQVIH-OAHLLOKOSA-N 1 0 349.431 0.693 50 0 ECAARO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1F ZINC000237345463 436731295 /nfs/dbraw/zinc/73/12/95/436731295.db2.gz LAVLLYCAPSGEGS-MWLCHTKSSA-N 1 0 329.397 0.686 50 0 ECAARO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1F ZINC000237345009 436731425 /nfs/dbraw/zinc/73/14/25/436731425.db2.gz ULSHMEWGBYYZIC-CMPLNLGQSA-N 1 0 343.424 0.933 50 0 ECAARO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000237505575 436736454 /nfs/dbraw/zinc/73/64/54/436736454.db2.gz IOQXGOHACTVJHM-MNOVXSKESA-N 1 0 332.447 0.590 50 0 ECAARO O=C(CN1CCOC1=O)NCC[C@@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000067587815 436716219 /nfs/dbraw/zinc/71/62/19/436716219.db2.gz SEFMZRKAHLXRBH-CQSZACIVSA-N 1 0 325.409 0.588 50 0 ECAARO O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248894885 436812184 /nfs/dbraw/zinc/81/21/84/436812184.db2.gz IKOJAPQMALIZAE-GJZGRUSLSA-N 1 0 344.415 0.755 50 0 ECAARO O=C(NCCn1ccnc1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000069326401 436768548 /nfs/dbraw/zinc/76/85/48/436768548.db2.gz QBJTTWZXJHNTBU-QGZVFWFLSA-N 1 0 343.431 0.602 50 0 ECAARO O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000247793180 436797107 /nfs/dbraw/zinc/79/71/07/436797107.db2.gz POGVOALKNLKDEB-UONOGXRCSA-N 1 0 346.387 0.911 50 0 ECAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000248113048 436800339 /nfs/dbraw/zinc/80/03/39/436800339.db2.gz HXQAFJWBAJPOBU-HZPDHXFCSA-N 1 0 341.415 0.877 50 0 ECAARO C[N@@H+]1CC[C@H]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)[C@@H]2C1 ZINC000253417136 436842977 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O=C(C[NH2+][C@@H]1CCc2ncnn2C1)NCc1ccc2c(c1)OCO2 ZINC000069742666 435961650 /nfs/dbraw/zinc/96/16/50/435961650.db2.gz QWCOFKFWWSYORL-GFCCVEGCSA-N 1 0 329.360 0.228 50 0 ECAARO CN(C(=O)CCNS(=O)(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000002620835 435967069 /nfs/dbraw/zinc/96/70/69/435967069.db2.gz KFNLJNGGIBIVEF-UHFFFAOYSA-N 1 0 339.461 0.908 50 0 ECAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)NCCOc1ccc(F)cc1 ZINC000069872036 435971471 /nfs/dbraw/zinc/97/14/71/435971471.db2.gz HMYYPPXLABJKQR-CYBMUJFWSA-N 1 0 333.367 0.517 50 0 ECAARO O=C(C[NH2+][C@@H]1CCc2ncnn2C1)N1CCN(c2ccccc2)CC1 ZINC000069894910 435973444 /nfs/dbraw/zinc/97/34/44/435973444.db2.gz NZMFKRZFISMUKJ-OAHLLOKOSA-N 1 0 340.431 0.531 50 0 ECAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000069968091 435980108 /nfs/dbraw/zinc/98/01/08/435980108.db2.gz IPYYXXKTDCSNBX-BRWVUGGUSA-N 1 0 325.453 0.155 50 0 ECAARO Cc1cnn(CC[NH2+][C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000069976304 435981082 /nfs/dbraw/zinc/98/10/82/435981082.db2.gz 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50 0 ECAARO C[N@@H+]1CCN2c3ccc(N)cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1 ZINC000017042826 436097214 /nfs/dbraw/zinc/09/72/14/436097214.db2.gz OCFXTFSAEODUHM-LBPRGKRZSA-N 1 0 329.360 0.138 50 0 ECAARO O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000021535042 436113195 /nfs/dbraw/zinc/11/31/95/436113195.db2.gz KHOLTLLNYFGVPA-INIZCTEOSA-N 1 0 349.406 0.879 50 0 ECAARO C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000025942079 436154933 /nfs/dbraw/zinc/15/49/33/436154933.db2.gz VEAYJIUTMBSBTG-ZDUSSCGKSA-N 1 0 342.399 0.100 50 0 ECAARO CC(C)[NH+](CCNC(=O)C1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000027458590 436176457 /nfs/dbraw/zinc/17/64/57/436176457.db2.gz FTAMUTNYNKXQEK-UHFFFAOYSA-N 1 0 333.498 0.893 50 0 ECAARO O=C(c1cccc2ccnn21)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077407677 436235497 /nfs/dbraw/zinc/23/54/97/436235497.db2.gz UQCDHDGIMKKINO-SFHVURJKSA-N 1 0 344.415 0.634 50 0 ECAARO O=C1C[C@@H](CN2C(=O)NC3(CC[NH2+]CC3)C2=O)CN1c1ccccc1 ZINC000077389131 436237002 /nfs/dbraw/zinc/23/70/02/436237002.db2.gz FLRWGVNIPYRKDK-CYBMUJFWSA-N 1 0 342.399 0.714 50 0 ECAARO O[C@]1(C[NH+]2CCCC2)COCCN(c2nnnn2-c2ccccc2)C1 ZINC000077436594 436239067 /nfs/dbraw/zinc/23/90/67/436239067.db2.gz XCVYKMUNWJLNNN-KRWDZBQOSA-N 1 0 344.419 0.326 50 0 ECAARO O=C(NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)[C@@H]1CC[NH2+]C1 ZINC000077535204 436240441 /nfs/dbraw/zinc/24/04/41/436240441.db2.gz NRPOXPMPRSQXMW-CQSZACIVSA-N 1 0 345.447 0.641 50 0 ECAARO Cc1nccn1CCC(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077506049 436241049 /nfs/dbraw/zinc/24/10/49/436241049.db2.gz XZZDMNUBFFKJPF-KRWDZBQOSA-N 1 0 331.464 0.820 50 0 ECAARO O=C(c1ccc2n[nH]nc2c1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077287180 436231801 /nfs/dbraw/zinc/23/18/01/436231801.db2.gz GGDZLJCLRKSRBU-KRWDZBQOSA-N 1 0 345.403 0.257 50 0 ECAARO C[NH+]1CCN(CCNC(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000041845191 436285886 /nfs/dbraw/zinc/28/58/86/436285886.db2.gz NMZWKMMEQSMNFC-UHFFFAOYSA-N 1 0 328.420 0.304 50 0 ECAARO COC(=O)c1cccc(NC(=O)C[NH2+]C2(CCO)CCOCC2)c1 ZINC000079112203 436291232 /nfs/dbraw/zinc/29/12/32/436291232.db2.gz GAZJJNFSKNSRPR-UHFFFAOYSA-N 1 0 336.388 0.933 50 0 ECAARO COCCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(OC)c1 ZINC000033032643 436249537 /nfs/dbraw/zinc/24/95/37/436249537.db2.gz BDFMAVQQTLKEDH-UHFFFAOYSA-N 1 0 349.431 0.606 50 0 ECAARO C[NH+](C)CCNC(=O)c1snc(C(=O)NCc2ccccc2)c1N ZINC000033171838 436250396 /nfs/dbraw/zinc/25/03/96/436250396.db2.gz LTVHGZNGVCFKMX-UHFFFAOYSA-N 1 0 347.444 0.947 50 0 ECAARO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]2C)CC1 ZINC000078896159 436283208 /nfs/dbraw/zinc/28/32/08/436283208.db2.gz XGHKHOOJWCLGMF-PBHICJAKSA-N 1 0 336.480 0.530 50 0 ECAARO C[NH+](C)[C@@H](CNC(=O)NCCN1CCOCC1)c1cccs1 ZINC000044909796 436351819 /nfs/dbraw/zinc/35/18/19/436351819.db2.gz KVKADGQUZAFDNZ-ZDUSSCGKSA-N 1 0 326.466 0.982 50 0 ECAARO O=S(=O)(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCOCC1 ZINC000044908151 436352397 /nfs/dbraw/zinc/35/23/97/436352397.db2.gz PDECMNHXJPZURF-INIZCTEOSA-N 1 0 339.461 0.990 50 0 ECAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000042286616 436300660 /nfs/dbraw/zinc/30/06/60/436300660.db2.gz LBAYYUOAMCLDPK-MELADBBJSA-N 1 0 339.436 0.374 50 0 ECAARO CS(=O)(=O)NCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000044916033 436353295 /nfs/dbraw/zinc/35/32/95/436353295.db2.gz OVDXXGXPSLASNX-GFCCVEGCSA-N 1 0 329.422 0.472 50 0 ECAARO COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]([NH3+])CN3C)CC2)cc1 ZINC000082106132 436361164 /nfs/dbraw/zinc/36/11/64/436361164.db2.gz SSOCPBHQVUENDP-HOCLYGCPSA-N 1 0 346.431 0.011 50 0 ECAARO Cc1ccc(CN2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2=O)cc1C ZINC000082147666 436363210 /nfs/dbraw/zinc/36/32/10/436363210.db2.gz KGYOZNIBGMFANI-KRWDZBQOSA-N 1 0 345.443 0.853 50 0 ECAARO Cc1nc(-n2cccc2)cc(NCCNC(=O)[C@H]2CCC(=O)N2)[nH+]1 ZINC000085472140 436390285 /nfs/dbraw/zinc/39/02/85/436390285.db2.gz RJJFRJUTWWMZPQ-GFCCVEGCSA-N 1 0 328.376 0.382 50 0 ECAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3cnccn3)cn2)CC1 ZINC000044973302 436358774 /nfs/dbraw/zinc/35/87/74/436358774.db2.gz UIIBGILXVVGLFS-UHFFFAOYSA-N 1 0 326.404 0.944 50 0 ECAARO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1C(N)=O ZINC000048302952 436448098 /nfs/dbraw/zinc/44/80/98/436448098.db2.gz OKGHUWQOPGDSCQ-UHFFFAOYSA-N 1 0 325.434 0.858 50 0 ECAARO C[C@H]1COCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000048324811 436448628 /nfs/dbraw/zinc/44/86/28/436448628.db2.gz DNJUXDBMRSNJDT-AWEZNQCLSA-N 1 0 333.436 0.764 50 0 ECAARO O=C(Cn1ccccc1=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091952337 436464485 /nfs/dbraw/zinc/46/44/85/436464485.db2.gz GSHMKOJAMORTNG-HZPDHXFCSA-N 1 0 333.432 0.401 50 0 ECAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)CSc2ccccc2)C[C@@H]1CO ZINC000092022709 436464616 /nfs/dbraw/zinc/46/46/16/436464616.db2.gz XAEOLMCBPODLCK-HUUCEWRRSA-N 1 0 338.473 0.770 50 0 ECAARO NC1=NC(=O)C2(CCN(C(=O)[C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)N1 ZINC000095366837 436492100 /nfs/dbraw/zinc/49/21/00/436492100.db2.gz UHNAMOYLVUXWKR-ZDUSSCGKSA-N 1 0 347.463 0.447 50 0 ECAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000095461320 436495356 /nfs/dbraw/zinc/49/53/56/436495356.db2.gz NMVPSSZCIKSOHV-LLVKDONJSA-N 1 0 335.408 0.212 50 0 ECAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1 ZINC000095512463 436498215 /nfs/dbraw/zinc/49/82/15/436498215.db2.gz RYLQXDNTSBKEGS-OAHLLOKOSA-N 1 0 347.463 0.549 50 0 ECAARO O=C(Cn1cccnc1=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097742617 436544297 /nfs/dbraw/zinc/54/42/97/436544297.db2.gz XJOHTTOSRWYRFL-INIZCTEOSA-N 1 0 341.415 0.982 50 0 ECAARO CNC(=O)COc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000058341610 436624519 /nfs/dbraw/zinc/62/45/19/436624519.db2.gz BNFMGVQBGQWCQF-CQSZACIVSA-N 1 0 329.404 0.839 50 0 ECAARO COc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(O)c1 ZINC000058405681 436625195 /nfs/dbraw/zinc/62/51/95/436625195.db2.gz PFVHGFJWWHDTSN-HNNXBMFYSA-N 1 0 347.415 0.955 50 0 ECAARO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000058378387 436625650 /nfs/dbraw/zinc/62/56/50/436625650.db2.gz OFAGESSXNFVTJG-ZDUSSCGKSA-N 1 0 347.419 0.886 50 0 ECAARO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc(C)cn2)CC1 ZINC000106868946 436603720 /nfs/dbraw/zinc/60/37/20/436603720.db2.gz XYLWBLFMPYLBDM-NVXWUHKLSA-N 1 0 347.463 0.735 50 0 ECAARO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000057921824 436618442 /nfs/dbraw/zinc/61/84/42/436618442.db2.gz IZRQCGIFUHXIIG-RYUDHWBXSA-N 1 0 342.440 0.213 50 0 ECAARO CCc1nc2c(c(=O)n1CC(N)=O)C[N@H+](Cc1ccccc1)CC2 ZINC000065153524 436653136 /nfs/dbraw/zinc/65/31/36/436653136.db2.gz CEOUMUSSOYHHEM-UHFFFAOYSA-N 1 0 326.400 0.849 50 0 ECAARO Cc1cccc(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000065362911 436655487 /nfs/dbraw/zinc/65/54/87/436655487.db2.gz PGKAKERYLOCXKF-UHFFFAOYSA-N 1 0 339.461 0.971 50 0 ECAARO CC(C)[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000065386055 436657402 /nfs/dbraw/zinc/65/74/02/436657402.db2.gz JUKRIKCPQBHNOB-INIZCTEOSA-N 1 0 337.464 0.957 50 0 ECAARO CN1CC[C@H](Nc2nc(-c3ccccn3)nc3c2CC[NH2+]CC3)C1=O ZINC000065395544 436658287 /nfs/dbraw/zinc/65/82/87/436658287.db2.gz JKQRVMCMEFHSJE-HNNXBMFYSA-N 1 0 338.415 0.869 50 0 ECAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2noc(COC)n2)c1=O ZINC000065408683 436659083 /nfs/dbraw/zinc/65/90/83/436659083.db2.gz WJLVCZSPNIADAP-UHFFFAOYSA-N 1 0 336.396 0.185 50 0 ECAARO Cc1nc2ncccn2c1C(=O)N[C@@H]1COCC[C@@H]1OCC[NH+](C)C ZINC000220595879 436699147 /nfs/dbraw/zinc/69/91/47/436699147.db2.gz LIRSCXINURVZTJ-KGLIPLIRSA-N 1 0 347.419 0.503 50 0 ECAARO Cc1ncccc1C(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000223228558 436705549 /nfs/dbraw/zinc/70/55/49/436705549.db2.gz JLUSUTVXIGUTIX-UHFFFAOYSA-N 1 0 332.448 0.605 50 0 ECAARO CN(C)c1cncc(O[C@H]2CCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)n1 ZINC000225399378 436709947 /nfs/dbraw/zinc/70/99/47/436709947.db2.gz GMWNRNKPWFDLLS-KBPBESRZSA-N 1 0 333.436 0.864 50 0 ECAARO Cc1cc(NC(=O)NC[C@H]2CC[N@H+](CCN3CCOCC3)C2)no1 ZINC000065433678 436660870 /nfs/dbraw/zinc/66/08/70/436660870.db2.gz OMBOVPUQTSLGRO-CQSZACIVSA-N 1 0 337.424 0.759 50 0 ECAARO Cc1nn(CCN2CC[NH+](C)CC2)cc1CN1CC(n2cccn2)C1 ZINC000065526285 436665987 /nfs/dbraw/zinc/66/59/87/436665987.db2.gz XFAYVSSIXWAQJF-UHFFFAOYSA-N 1 0 343.479 0.692 50 0 ECAARO Cc1cc(-n2nc(C3CC3)nc2CC[C@H]2NC(=O)NC2=O)cc[nH+]1 ZINC000065529935 436666602 /nfs/dbraw/zinc/66/66/02/436666602.db2.gz HFXMUBZCRFICFK-GFCCVEGCSA-N 1 0 326.360 0.989 50 0 ECAARO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000065606063 436668825 /nfs/dbraw/zinc/66/88/25/436668825.db2.gz BFRIIEMFJHNJPA-UONOGXRCSA-N 1 0 348.513 0.830 50 0 ECAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH]cn3)CC2)C1 ZINC000067786292 436723381 /nfs/dbraw/zinc/72/33/81/436723381.db2.gz LXKULAABSKWQRM-OAHLLOKOSA-N 1 0 349.479 0.849 50 0 ECAARO COc1ccccc1[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1noc(C)n1 ZINC000237278718 436729085 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344.419 0.756 50 0 ECAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccs3)C[C@H]12 ZINC000102705257 219223405 /nfs/dbraw/zinc/22/34/05/219223405.db2.gz PLHBMFCVTRLFEW-CNDDSTCGSA-N 1 0 343.474 0.292 50 0 ECAARO C[C@H]1C[N@@H+](C2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)CCO1 ZINC000067400159 215140595 /nfs/dbraw/zinc/14/05/95/215140595.db2.gz MUBFFSGETPSNLI-LBPRGKRZSA-N 1 0 335.456 0.205 50 0 ECAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(-n2cccn2)c1 ZINC000067678009 215182329 /nfs/dbraw/zinc/18/23/29/215182329.db2.gz MTYLNWFUZAMUJB-HOCLYGCPSA-N 1 0 341.415 0.939 50 0 ECAARO COCc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)s1 ZINC000067756968 215205178 /nfs/dbraw/zinc/20/51/78/215205178.db2.gz RZGGREVBSMDWLW-PWSUYJOCSA-N 1 0 325.434 0.961 50 0 ECAARO CNc1ncc(CN(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)cn1 ZINC000067783999 215210529 /nfs/dbraw/zinc/21/05/29/215210529.db2.gz YMNHSLAQNKZVPJ-GFCCVEGCSA-N 1 0 344.423 0.382 50 0 ECAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnn(-c2ccccc2OC)c1 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Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CCC(C)C)[nH]n1 ZINC000012434364 211379870 /nfs/dbraw/zinc/37/98/70/211379870.db2.gz IXTJUAWOKLKMAM-OAHLLOKOSA-N 1 0 335.452 0.913 50 0 ECAARO COCCC[C@@]1(CO)CCCN(C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000091444478 218006869 /nfs/dbraw/zinc/00/68/69/218006869.db2.gz ZMUXSTOLQMIGQU-SFHVURJKSA-N 1 0 341.496 0.652 50 0 ECAARO CN1CC[NH+](C[C@@H]2CN(C(=O)c3ncoc3C3CC3)C[C@@H]2CO)CC1 ZINC000091486870 218013502 /nfs/dbraw/zinc/01/35/02/218013502.db2.gz NPDDKKBLCZJMDH-HUUCEWRRSA-N 1 0 348.447 0.480 50 0 ECAARO Cc1cc(CC(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)on1 ZINC000091604711 218031877 /nfs/dbraw/zinc/03/18/77/218031877.db2.gz PNVKJVLBAUXBAD-QGZVFWFLSA-N 1 0 334.420 0.681 50 0 ECAARO C[N@@H+]1CCN(C(=O)c2ccncc2)C[C@]12CCC(=O)N(CCO)CC2 ZINC000091645596 218038618 /nfs/dbraw/zinc/03/86/18/218038618.db2.gz YRSUDKYZMOYLBT-GOSISDBHSA-N 1 0 346.431 0.213 50 0 ECAARO C[N@H+](CCO)C[C@@H]1CN(C(=O)CCc2ccc(O)cc2)C[C@@H]1CO ZINC000091665271 218044251 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CC(C)c1ccc(C(=O)N[C@H]2C[C@H]3CN(C)CC[N@@H+]3C2)c(=O)n1C ZINC000067954998 436728654 /nfs/dbraw/zinc/72/86/54/436728654.db2.gz MZTXWASPOCMHJW-KBPBESRZSA-N 1 0 332.448 0.627 50 0 ECAARO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C[NH2+]C3CC3)CC2)C1 ZINC000237497589 436735520 /nfs/dbraw/zinc/73/55/20/436735520.db2.gz YLQAQIQSSUQSAN-GDBMZVCRSA-N 1 0 336.480 0.578 50 0 ECAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000237459395 436736812 /nfs/dbraw/zinc/73/68/12/436736812.db2.gz FNZXQSWHZBPXCM-FZMZJTMJSA-N 1 0 346.474 0.981 50 0 ECAARO Cn1ncnc1COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000237681809 436741397 /nfs/dbraw/zinc/74/13/97/436741397.db2.gz WJRXTLSZSOXPCS-LLVKDONJSA-N 1 0 337.405 0.116 50 0 ECAARO Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237731415 436743170 /nfs/dbraw/zinc/74/31/70/436743170.db2.gz YKIXXMYHDGYJMM-LBPRGKRZSA-N 1 0 341.415 0.893 50 0 ECAARO COC(=O)c1cn([C@@H]2CCCN([C@@H](C)c3nnnn3C3CC3)C2)nn1 ZINC000241161323 436759807 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O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccccc1-c1nn[nH]n1 ZINC000534651797 439532487 /nfs/dbraw/zinc/53/24/87/439532487.db2.gz UFKQDLYSPOVYNL-KBPBESRZSA-N 1 0 328.376 0.460 50 0 ECAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)N2CCNC(=O)C2)C1 ZINC000534660273 439532549 /nfs/dbraw/zinc/53/25/49/439532549.db2.gz BKTHSJJDRMLILK-OAHLLOKOSA-N 1 0 330.432 0.958 50 0 ECAARO CC[C@@H]1CN(C(=O)[C@@]2(COC)CC[NH2+]C2)C[C@@H]1N1CCOCC1 ZINC000333815603 320927115 /nfs/dbraw/zinc/92/71/15/320927115.db2.gz KAYCGRUBKRJGKA-VYDXJSESSA-N 1 0 325.453 0.182 50 0 ECAARO COC[C@@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1ccnn1C ZINC000244778640 522345102 /nfs/dbraw/zinc/34/51/02/522345102.db2.gz PUEDCZBIWWQPQJ-MBNYWOFBSA-N 1 0 347.423 0.572 50 0 ECAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000193067423 536368081 /nfs/dbraw/zinc/36/80/81/536368081.db2.gz ZDJHCSBLBWFWSQ-HZPDHXFCSA-N 1 0 325.453 0.768 50 0 ECAARO C[NH+]1CCN(CCCNC(=O)c2cnc(-c3ccncc3)nc2)CC1 ZINC000097475636 545730816 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CN(C)C(=O)CN1CC[C@H]([NH2+]Cc2csc(N)n2)CCC1=O ZINC000952989052 612140145 /nfs/dbraw/zinc/14/01/45/612140145.db2.gz BVGDHZIAAJGLMZ-SNVBAGLBSA-N 1 0 325.438 0.284 50 0 ECAARO Cn1cccc1C[N@@H+]1CC[C@@]2(CO)CN(S(C)(=O)=O)C[C@H]2C1 ZINC000675020943 741338729 /nfs/dbraw/zinc/33/87/29/741338729.db2.gz IQKLNZCZYOLOHE-HIFRSBDPSA-N 1 0 327.450 0.101 50 0 ECAARO COCCN(Cc1ccccn1)C(=O)NCCN1CC[NH+](C)CC1 ZINC000426491014 753136080 /nfs/dbraw/zinc/13/60/80/753136080.db2.gz GQYOOSPJXIERIR-UHFFFAOYSA-N 1 0 335.452 0.487 50 0 ECAARO [NH3+]C1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CCCCCC1 ZINC000050351601 214053790 /nfs/dbraw/zinc/05/37/90/214053790.db2.gz OKEPGLSZAYDGEU-UHFFFAOYSA-N 1 0 338.495 0.535 50 0 ECAARO O=C(NC[C@@H](O)C[NH+]1CCCCCC1)c1ccccc1-c1nn[nH]n1 ZINC000097674216 219046456 /nfs/dbraw/zinc/04/64/56/219046456.db2.gz RSKVVLQEPGBPOR-CYBMUJFWSA-N 1 0 344.419 0.833 50 0 ECAARO O=C(C1CC1)N1CC[N@H+](CCn2cnc3ccccc32)C[C@@H](O)C1 ZINC000097742788 219052701 /nfs/dbraw/zinc/05/27/01/219052701.db2.gz 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C[C@H]1CN(C(=O)c2cnn(-c3ccccc3S(C)(=O)=O)c2)CC[NH2+]1 ZINC000299738623 258010450 /nfs/dbraw/zinc/01/04/50/258010450.db2.gz CYHCQAQTFSVTKW-LBPRGKRZSA-N 1 0 348.428 0.710 50 0 ECAARO O=C(CN1CCOc2ccccc2C1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299770918 258083676 /nfs/dbraw/zinc/08/36/76/258083676.db2.gz NZOAZSPUVGTSPK-IRXDYDNUSA-N 1 0 345.443 0.860 50 0 ECAARO O=C(c1ccccc1-n1cnnc1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000299775505 258086135 /nfs/dbraw/zinc/08/61/35/258086135.db2.gz DJCTYAQEIBBDFW-IRXDYDNUSA-N 1 0 341.415 0.939 50 0 ECAARO COCC[NH+]1CCN(Cc2cnc(NC[C@@H]3CCCO3)nc2)CC1 ZINC000215958877 258072316 /nfs/dbraw/zinc/07/23/16/258072316.db2.gz PGDYHNRUPREULJ-INIZCTEOSA-N 1 0 335.452 0.832 50 0 ECAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000261941170 165265448 /nfs/dbraw/zinc/26/54/48/165265448.db2.gz LHTDUKVPGKPBQR-ZWNOBZJWSA-N 1 0 347.462 0.224 50 0 ECAARO CCCCNC(=O)CN(C)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426360140 275977617 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335.379 0.072 50 0 ECAARO C[C@@H]1Sc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2NC1=O ZINC000015677287 436084803 /nfs/dbraw/zinc/08/48/03/436084803.db2.gz AUBUOESFFJEXIP-VIFPVBQESA-N 1 0 329.447 0.959 50 0 ECAARO CCCC[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000023991654 436129057 /nfs/dbraw/zinc/12/90/57/436129057.db2.gz HDJZLGZJFVTTGL-UHFFFAOYSA-N 1 0 327.450 0.725 50 0 ECAARO CC[NH+](CC)[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)C ZINC000024709198 436139046 /nfs/dbraw/zinc/13/90/46/436139046.db2.gz CSRQQPGYGAOFPC-CQSZACIVSA-N 1 0 348.451 0.613 50 0 ECAARO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c(=O)[nH]1 ZINC000075118590 436152209 /nfs/dbraw/zinc/15/22/09/436152209.db2.gz KYUAKZRFPVWXDS-UHFFFAOYSA-N 1 0 341.415 0.760 50 0 ECAARO COc1ccc([C@@H](CNC=C2C(=O)NC(=S)NC2=O)[NH+](C)C)cc1 ZINC000025436521 436153752 /nfs/dbraw/zinc/15/37/52/436153752.db2.gz HGQAMAPWRJDTCU-CYBMUJFWSA-N 1 0 348.428 0.302 50 0 ECAARO C[NH+](C)C[C@H]1CCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000075582552 436166752 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C[NH+](C)CCCNC(=O)c1nc(COc2ccccc2C(N)=O)no1 ZINC000036358129 213088841 /nfs/dbraw/zinc/08/88/41/213088841.db2.gz HHMIIQIRKFOSCN-UHFFFAOYSA-N 1 0 347.375 0.429 50 0 ECAARO COC(=O)c1ccccc1NC(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072130757 216020185 /nfs/dbraw/zinc/02/01/85/216020185.db2.gz FBUFLYZQXMIMKZ-KRWDZBQOSA-N 1 0 349.387 0.696 50 0 ECAARO c1c(CN2CCN(CCc3ccccn3)CC2)nn2c1C[NH2+]CC2 ZINC000072145023 216030029 /nfs/dbraw/zinc/03/00/29/216030029.db2.gz IWTORKLEHQWTOY-UHFFFAOYSA-N 1 0 326.448 0.742 50 0 ECAARO CCc1ccc(CN2CC[NH2+][C@@H](C(=O)N3CCN(C)CC3)C2)nc1 ZINC000072147052 216033934 /nfs/dbraw/zinc/03/39/34/216033934.db2.gz IQHZQRHXXOABNF-QGZVFWFLSA-N 1 0 331.464 0.192 50 0 ECAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)CCn3cnnc3)CC2)[C@H]1O ZINC000072148091 216035606 /nfs/dbraw/zinc/03/56/06/216035606.db2.gz HXRSCGYMUHMVRN-SJORKVTESA-N 1 0 341.415 0.603 50 0 ECAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c(=O)n1C ZINC000072165428 216054807 /nfs/dbraw/zinc/05/48/07/216054807.db2.gz POGKXGLVGIYHHR-OAHLLOKOSA-N 1 0 333.432 0.755 50 0 ECAARO Cn1nnnc1SCCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072447069 216237313 /nfs/dbraw/zinc/23/73/13/216237313.db2.gz IIYFBODSANKOKC-UHFFFAOYSA-N 1 0 345.436 0.556 50 0 ECAARO CN(Cc1cnc(N)nc1)c1nc(NC2CC2)nc2c1CC[NH2+]CC2 ZINC000072453562 216240834 /nfs/dbraw/zinc/24/08/34/216240834.db2.gz NLXQTSGJBSEATR-UHFFFAOYSA-N 1 0 340.435 0.748 50 0 ECAARO [NH3+][C@@H](C(=O)NCc1cc(N2CCOCC2)ncn1)c1ccccc1 ZINC000072463082 216245242 /nfs/dbraw/zinc/24/52/42/216245242.db2.gz MVJYATFGQRAMQY-MRXNPFEDSA-N 1 0 327.388 0.629 50 0 ECAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(N)nc3C)CC[C@H]21 ZINC000072476739 216254062 /nfs/dbraw/zinc/25/40/62/216254062.db2.gz KIYGKTDINLXWDQ-GXTWGEPZSA-N 1 0 346.435 0.040 50 0 ECAARO O=C(c1ccn2nnnc2c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000214970037 241100893 /nfs/dbraw/zinc/10/08/93/241100893.db2.gz JNVVZDJGHDORBP-UHFFFAOYSA-N 1 0 332.433 0.778 50 0 ECAARO C[C@@H](NC(=O)C1(c2ccccc2)CC[NH+](C)CC1)c1nc(=O)[nH][nH]1 ZINC000215786186 241148998 /nfs/dbraw/zinc/14/89/98/241148998.db2.gz JTHREGQWJMPBPX-GFCCVEGCSA-N 1 0 329.404 0.939 50 0 ECAARO Nc1nc(NCCNC(=O)c2cccnc2)cc(C2CC([NH3+])C2)n1 ZINC000218951380 241353170 /nfs/dbraw/zinc/35/31/70/241353170.db2.gz LIFACXQLQJWLEZ-UHFFFAOYSA-N 1 0 327.392 0.500 50 0 ECAARO NC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000229526598 242171633 /nfs/dbraw/zinc/17/16/33/242171633.db2.gz LFKHKLAPOWFWFY-UKRRQHHQSA-N 1 0 335.379 0.533 50 0 ECAARO Cn1c(=O)c(O)c(C(=O)NCc2ccc(F)cc2)nc1C(C)(C)[NH3+] ZINC000021299550 212219747 /nfs/dbraw/zinc/21/97/47/212219747.db2.gz AQLZTHZLYFFVIJ-UHFFFAOYSA-N 1 0 334.351 0.749 50 0 in-vitro ECAARO COc1ccc([C@@H](NC(=O)C2(O)CC[NH+](C)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244647121 243048895 /nfs/dbraw/zinc/04/88/95/243048895.db2.gz GVMBYCKLRSIZLI-IJEWVQPXSA-N 1 0 349.431 0.475 50 0 ECAARO Cn1c(CN2CCC(C(=O)N3CCCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244659763 243051239 /nfs/dbraw/zinc/05/12/39/243051239.db2.gz HIHAHHAXXAXCJV-GASCZTMLSA-N 1 0 346.479 0.854 50 0 ECAARO COCCn1c(CNCc2nc(C)cc(C)n2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244673630 243053412 /nfs/dbraw/zinc/05/34/12/243053412.db2.gz HSWQZYNRPXFXAX-OKILXGFUSA-N 1 0 345.451 0.826 50 0 ECAARO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000020680712 212161137 /nfs/dbraw/zinc/16/11/37/212161137.db2.gz JYFWGDBMZRPDLO-LBPRGKRZSA-N 1 0 325.434 0.682 50 0 ECAARO [NH3+]Cc1cn(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1 ZINC000019792296 212067578 /nfs/dbraw/zinc/06/75/78/212067578.db2.gz YNYORKAPKHXYHM-UHFFFAOYSA-N 1 0 329.360 0.943 50 0 ECAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000262762737 245167340 /nfs/dbraw/zinc/16/73/40/245167340.db2.gz REUAXWKPWXFMDH-RISCZKNCSA-N 1 0 325.434 0.817 50 0 ECAARO CCN(CC)C(=O)Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC)nn1 ZINC000011998695 211278051 /nfs/dbraw/zinc/27/80/51/211278051.db2.gz NOHQEFVDTKUCAG-CYBMUJFWSA-N 1 0 336.440 0.361 50 0 ECAARO COCc1ncc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cn1 ZINC000091411999 218002510 /nfs/dbraw/zinc/00/25/10/218002510.db2.gz PJGRSGPSDSHPEV-SFHVURJKSA-N 1 0 347.463 0.752 50 0 ECAARO CCn1c(Cn2cncn2)nnc1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000091461139 218009547 /nfs/dbraw/zinc/00/95/47/218009547.db2.gz HWVCMAZQAYCGLM-UHFFFAOYSA-N 1 0 346.439 0.381 50 0 ECAARO C[N@@H+]1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@]12CCNC(=O)CC2 ZINC000091603087 218030403 /nfs/dbraw/zinc/03/04/03/218030403.db2.gz UAPWWZWQXFSLFK-GOSISDBHSA-N 1 0 345.447 0.715 50 0 ECAARO CNc1nc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cs1 ZINC000091695251 218050434 /nfs/dbraw/zinc/05/04/34/218050434.db2.gz MJGFSFJSZHOEIG-OAHLLOKOSA-N 1 0 337.449 0.611 50 0 ECAARO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@@H]1CO ZINC000091644780 218037821 /nfs/dbraw/zinc/03/78/21/218037821.db2.gz KJCDBFIJVZZEHD-CHWSQXEVSA-N 1 0 333.388 0.260 50 0 ECAARO Cc1nc(C)c(C)c(N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)n1 ZINC000091663921 218042854 /nfs/dbraw/zinc/04/28/54/218042854.db2.gz QUUOXHNTSQKZCO-IAGOWNOFSA-N 1 0 335.496 0.940 50 0 ECAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@@H]1CO ZINC000091914644 218088440 /nfs/dbraw/zinc/08/84/40/218088440.db2.gz RDGRVPLQZQRSSI-HUUCEWRRSA-N 1 0 336.436 0.352 50 0 ECAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@@H]1CO ZINC000091915429 218087917 /nfs/dbraw/zinc/08/79/17/218087917.db2.gz HMOVOUFLYLFRNA-ZIAGYGMSSA-N 1 0 341.477 0.639 50 0 ECAARO CCCn1cc(S(=O)(=O)N[C@H]2C[N@H+](CCO)C[C@@H]2C2CC2)cn1 ZINC000092066731 218114099 /nfs/dbraw/zinc/11/40/99/218114099.db2.gz UMVSPBXRXYGXPY-CABCVRRESA-N 1 0 342.465 0.274 50 0 ECAARO CN(C)C(=O)c1ccc(N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)nc1 ZINC000092098197 218118402 /nfs/dbraw/zinc/11/84/02/218118402.db2.gz JKEUQCOPGSHKBB-SFHVURJKSA-N 1 0 345.447 0.574 50 0 ECAARO CN1CC[NH+](C[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@@H]2CO)CC1 ZINC000092062204 218111435 /nfs/dbraw/zinc/11/14/35/218111435.db2.gz DLQKOLWPDJGTNH-IAGOWNOFSA-N 1 0 349.450 0.683 50 0 ECAARO Cc1cc(NC(=O)C(=O)NCC[NH+](C)C)ccc1N1CCCC1=O ZINC000010220934 211155040 /nfs/dbraw/zinc/15/50/40/211155040.db2.gz OSGUMDYDADJFGU-UHFFFAOYSA-N 1 0 332.404 0.738 50 0 ECAARO C[NH+](C)CCNC(=O)Cn1ncn2nc(-c3ccccc3)cc2c1=O ZINC000009727145 211119453 /nfs/dbraw/zinc/11/94/53/211119453.db2.gz UYPLACUXFACEKZ-UHFFFAOYSA-N 1 0 340.387 0.236 50 0 ECAARO Cc1ccc([C@H](O)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000151914146 223884294 /nfs/dbraw/zinc/88/42/94/223884294.db2.gz XAFAENKLMZPDCM-MRXNPFEDSA-N 1 0 329.404 0.974 50 0 ECAARO CCc1c(C)[nH+]c(N)nc1N1CC[C@@]2(O)CCN(C(C)=O)C[C@H]2C1 ZINC000095354784 218288287 /nfs/dbraw/zinc/28/82/87/218288287.db2.gz PMQWBAWVZDYZPS-GUYCJALGSA-N 1 0 333.436 0.739 50 0 ECAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NC3CCOCC3)C2)cn1 ZINC000095357116 218290627 /nfs/dbraw/zinc/29/06/27/218290627.db2.gz UKHPTLSBPYQYOE-KGLIPLIRSA-N 1 0 346.431 0.849 50 0 ECAARO Cc1cccc(OC2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C2)c1 ZINC000095375497 218307551 /nfs/dbraw/zinc/30/75/51/218307551.db2.gz JXNIAFFUZWDXTG-HNNXBMFYSA-N 1 0 345.443 0.995 50 0 ECAARO CN(C)S(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000095433132 218375436 /nfs/dbraw/zinc/37/54/36/218375436.db2.gz TYYJHCNGNYQNHE-MRXNPFEDSA-N 1 0 341.477 0.828 50 0 ECAARO CCN(Cc1cnn(C)c1)C(=O)CN1CC2(CC1=O)CC[NH+](C)CC2 ZINC000095500741 218415946 /nfs/dbraw/zinc/41/59/46/218415946.db2.gz CLLCGEBXQROHMI-UHFFFAOYSA-N 1 0 347.463 0.713 50 0 ECAARO COc1ccsc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158930634 533101707 /nfs/dbraw/zinc/10/17/07/533101707.db2.gz XAKPVDPBMRNPPV-LLVKDONJSA-N 1 0 334.463 0.882 50 0 ECAARO C[NH+](C)[C@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)C[C@@H]1O ZINC000517783624 257928937 /nfs/dbraw/zinc/92/89/37/257928937.db2.gz TXDPPVSNPPPSFC-KBPBESRZSA-N 1 0 332.429 0.881 50 0 ECAARO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000328596479 258043124 /nfs/dbraw/zinc/04/31/24/258043124.db2.gz URKGHICKVLSJAX-RVDMUPIBSA-N 1 0 330.367 0.941 50 0 ECAARO CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000328590496 258044339 /nfs/dbraw/zinc/04/43/39/258044339.db2.gz IFELVPAPUZBEMK-DNGMOHDESA-N 1 0 337.445 0.818 50 0 ECAARO Cn1cc([C@@H](O)C[C@@H]2CCCN2c2nc3c(cnn3C)c(N)n2)cn1 ZINC000328588457 258044765 /nfs/dbraw/zinc/04/47/65/258044765.db2.gz PQQISNHGPFRGIS-AAEUAGOBSA-N 1 0 342.407 0.772 50 0 ECAARO O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCN(c2nc[nH]n2)CC1 ZINC000299789702 258095517 /nfs/dbraw/zinc/09/55/17/258095517.db2.gz AAMNUIJAHSCUHN-CQSZACIVSA-N 1 0 348.451 0.344 50 0 ECAARO C[NH+](C)C[C@H]1CN(CC(=O)NC[C@H]2COc3ccccc3O2)CCO1 ZINC000257365347 165210538 /nfs/dbraw/zinc/21/05/38/165210538.db2.gz NZKNSROZMVYLJI-GJZGRUSLSA-N 1 0 349.431 0.205 50 0 ECAARO CCN1C[C@@H](NC(=O)c2cccc(OC)c2OCCC[NH3+])CC1=O ZINC000426519202 276243650 /nfs/dbraw/zinc/24/36/50/276243650.db2.gz GPOOPQTUJNIQTM-LBPRGKRZSA-N 1 0 335.404 0.773 50 0 ECAARO CO[C@H]1CN(C(=O)c2cc(-c3c(C)nn(C)c3C)nn2C)CC[C@H]1[NH3+] ZINC000071747318 277343718 /nfs/dbraw/zinc/34/37/18/277343718.db2.gz FVCOAYFBVQJKJT-DOMZBBRYSA-N 1 0 346.435 0.626 50 0 ECAARO C[C@@H]1CCCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)[C@H]1C[NH3+] ZINC000156694440 278473887 /nfs/dbraw/zinc/47/38/87/278473887.db2.gz DVQQZXZTAAIBFL-OLZOCXBDSA-N 1 0 336.436 0.827 50 0 ECAARO [NH3+]CC(=O)N[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1C1CC1 ZINC000092062479 279621619 /nfs/dbraw/zinc/62/16/19/279621619.db2.gz GQAZCDOCGRFLKX-OCCSQVGLSA-N 1 0 348.426 0.506 50 0 ECAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCCCCC1 ZINC000006665208 281553338 /nfs/dbraw/zinc/55/33/38/281553338.db2.gz AXZFNRXQXJJQMB-UHFFFAOYSA-N 1 0 344.419 0.860 50 0 ECAARO C[NH+](C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CCCO1)C2 ZINC000065469533 289164307 /nfs/dbraw/zinc/16/43/07/289164307.db2.gz JNNSNDWXWDSPLC-HNNXBMFYSA-N 1 0 349.435 0.086 50 0 ECAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@@H]1CO ZINC000091365166 289201423 /nfs/dbraw/zinc/20/14/23/289201423.db2.gz PBURBHXECOEQEH-ZIAGYGMSSA-N 1 0 333.432 0.496 50 0 ECAARO CO[C@@](C)(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1ccccc1F ZINC000408517315 294061176 /nfs/dbraw/zinc/06/11/76/294061176.db2.gz GRUXMPALLAFPMN-SJKOYZFVSA-N 1 0 339.411 0.870 50 0 ECAARO Cn1ccnc1[C@](O)(CCNC(=O)[C@H]1CCC[C@@H]1[NH3+])C(F)(F)F ZINC000237911694 294438664 /nfs/dbraw/zinc/43/86/64/294438664.db2.gz DICFXWNTPRWUAM-OUJBWJOFSA-N 1 0 334.342 0.804 50 0 ECAARO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000237997767 295267700 /nfs/dbraw/zinc/26/77/00/295267700.db2.gz IJBKZDCGZMYAGP-DOMZBBRYSA-N 1 0 337.445 0.768 50 0 ECAARO CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000237420715 295561434 /nfs/dbraw/zinc/56/14/34/295561434.db2.gz LWDPSYGNJVYSKR-QWRGUYRKSA-N 1 0 332.447 0.496 50 0 ECAARO O=C(CN1CCC[C@@H]1Cn1cncn1)NC1CC[NH+](C2CC2)CC1 ZINC000069698118 435959208 /nfs/dbraw/zinc/95/92/08/435959208.db2.gz YSDQKLKZUYAHSU-MRXNPFEDSA-N 1 0 332.452 0.486 50 0 ECAARO CCc1nc2n(n1)C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)CC2 ZINC000069739174 435961531 /nfs/dbraw/zinc/96/15/31/435961531.db2.gz DWEAQKOQXKTCSU-ZDUSSCGKSA-N 1 0 349.460 0.723 50 0 ECAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)NC3CCOCC3)C2)n1 ZINC000069742653 435963207 /nfs/dbraw/zinc/96/32/07/435963207.db2.gz LFWSXMWKTJCTHD-OAHLLOKOSA-N 1 0 335.452 0.902 50 0 ECAARO CCOCC[N@@H+]1CCN(CC(=O)NC2CCOCC2)C[C@@H]1CC ZINC000069817532 435968237 /nfs/dbraw/zinc/96/82/37/435968237.db2.gz GXIVVRPHGHVCNT-INIZCTEOSA-N 1 0 327.469 0.714 50 0 ECAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000069898254 435975342 /nfs/dbraw/zinc/97/53/42/435975342.db2.gz KGRGWQAZBCWVHQ-HUUCEWRRSA-N 1 0 334.420 0.059 50 0 ECAARO C[C@H](C(=O)Nc1ncccn1)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069628010 435954392 /nfs/dbraw/zinc/95/43/92/435954392.db2.gz XGPRVRBEKXGCIL-KGLIPLIRSA-N 1 0 335.452 0.828 50 0 ECAARO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000071808741 436013016 /nfs/dbraw/zinc/01/30/16/436013016.db2.gz GCPRBBFEOHSLBN-QLFBSQMISA-N 1 0 345.447 0.768 50 0 ECAARO O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072172667 436035510 /nfs/dbraw/zinc/03/55/10/436035510.db2.gz FZHIUJMSLFFWEJ-KGLIPLIRSA-N 1 0 325.416 0.767 50 0 ECAARO O[C@H]1CCC[N@H+](CCNc2nc3nonc3nc2N2CCCCC2)C1 ZINC000012031232 436047319 /nfs/dbraw/zinc/04/73/19/436047319.db2.gz SBIRHKQRDIVJSA-LBPRGKRZSA-N 1 0 347.423 0.872 50 0 ECAARO Cc1cc(C)cc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)c1 ZINC000013672371 436064563 /nfs/dbraw/zinc/06/45/63/436064563.db2.gz VEDQYEUPBSGBJO-UHFFFAOYSA-N 1 0 327.450 0.747 50 0 ECAARO CN(C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000013675199 436065364 /nfs/dbraw/zinc/06/53/64/436065364.db2.gz KGLHBMLOKWCCIW-UHFFFAOYSA-N 1 0 346.497 0.107 50 0 ECAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014743084 436076808 /nfs/dbraw/zinc/07/68/08/436076808.db2.gz KHRVCXWBBACGOZ-UHFFFAOYSA-N 1 0 345.403 0.186 50 0 ECAARO O=C1[C@@H]2C[C@@H](O)CN2C(=O)[C@H]2C[N@H+](CCCc3ccccc3)CCN12 ZINC000014744534 436077449 /nfs/dbraw/zinc/07/74/49/436077449.db2.gz SJARXWZCXRGPRX-IXDOHACOSA-N 1 0 343.427 0.107 50 0 ECAARO 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CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cn(CC[NH3+])nn3)C2)n1 ZINC000077521199 436239779 /nfs/dbraw/zinc/23/97/79/436239779.db2.gz OQBGZKXOIVEYPQ-LBPRGKRZSA-N 1 0 347.423 0.838 50 0 ECAARO O=C(c1cn2cccnc2n1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000077515737 436240167 /nfs/dbraw/zinc/24/01/67/436240167.db2.gz QIZDIAJHIFKATL-MRXNPFEDSA-N 1 0 340.431 0.581 50 0 ECAARO CCCc1cc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)no1 ZINC000077489868 436240612 /nfs/dbraw/zinc/24/06/12/436240612.db2.gz YQLOEWWVWWEHIY-KRWDZBQOSA-N 1 0 337.420 0.926 50 0 ECAARO CC[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000076059095 436189182 /nfs/dbraw/zinc/18/91/82/436189182.db2.gz GIDLCUJLARKGLX-IAQYHMDHSA-N 1 0 337.445 0.591 50 0 ECAARO CC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCC(C)C)co2)CC1 ZINC000034677023 436254471 /nfs/dbraw/zinc/25/44/71/436254471.db2.gz XMGNYCIDGLRKMC-CQSZACIVSA-N 1 0 338.452 0.949 50 0 ECAARO Cc1nn(C)c(C)c1CN1CCN(C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000041123507 436269253 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C[C@H](O)C[N@@H+]1CCN(CC(=O)NCCc2ccsc2)C[C@@H]1C ZINC000106868151 436604094 /nfs/dbraw/zinc/60/40/94/436604094.db2.gz SVHHZUVVMXDWBD-KBPBESRZSA-N 1 0 325.478 0.794 50 0 ECAARO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)CN3CCOCC3)C2)nn1 ZINC000106908462 436605896 /nfs/dbraw/zinc/60/58/96/436605896.db2.gz NTCGPTJOHUHKKH-HZPDHXFCSA-N 1 0 335.452 0.037 50 0 ECAARO Cn1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000108123341 436616354 /nfs/dbraw/zinc/61/63/54/436616354.db2.gz OQNGKVDKTHDDRO-INIZCTEOSA-N 1 0 328.416 0.573 50 0 ECAARO C[C@H]1CCCN(C(=O)CC[NH+]2CCN(CCOCCO)CC2)C1 ZINC000065404061 436658591 /nfs/dbraw/zinc/65/85/91/436658591.db2.gz FALDZTHAMUCKDW-INIZCTEOSA-N 1 0 327.469 0.262 50 0 ECAARO Cn1c(Cn2c(=O)c3ccccc3n(C)c2=O)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000219931560 436697462 /nfs/dbraw/zinc/69/74/62/436697462.db2.gz OAQMLPUSXRBWHI-PHIMTYICSA-N 1 0 340.387 0.082 50 0 ECAARO C[C@@H](NC(=O)CN1CCC[N@H+](C)CC1)c1nc(-c2ccccn2)no1 ZINC000221377596 436700454 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CCCC(=O)N1CCC([N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000067982606 436730409 /nfs/dbraw/zinc/73/04/09/436730409.db2.gz RPIVTMZADMDETJ-ZDUSSCGKSA-N 1 0 331.482 0.649 50 0 ECAARO C[C@]1(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCC[NH2+]C1 ZINC000237531400 436737818 /nfs/dbraw/zinc/73/78/18/436737818.db2.gz IBMJEHWWOKQKKT-KRWDZBQOSA-N 1 0 331.420 0.219 50 0 ECAARO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238008741 436753581 /nfs/dbraw/zinc/75/35/81/436753581.db2.gz LNUUOQIVEMREMI-RAIGVLPGSA-N 1 0 337.807 0.674 50 0 ECAARO CC[C@@H]1CN([C@H](C)C(=O)NCC(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000241862515 436759311 /nfs/dbraw/zinc/75/93/11/436759311.db2.gz SQUVVWYEPHTNFY-IJLUTSLNSA-N 1 0 325.375 0.830 50 0 ECAARO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H]2CC[NH2+]C2)C1=O ZINC000127856055 436808959 /nfs/dbraw/zinc/80/89/59/436808959.db2.gz FPIYWRYPPJNMDI-BLLLJJGKSA-N 1 0 334.351 0.071 50 0 ECAARO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000249430980 436820019 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O=S(=O)(Cc1ccccc1)NCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058299826 436623626 /nfs/dbraw/zinc/62/36/26/436623626.db2.gz YFUQLBZKCNPPNI-HNNXBMFYSA-N 1 0 349.460 0.634 50 0 ECAARO O[C@H](C[NH2+]Cc1cnc2ccnn2c1)COc1ccc2c(c1)OCO2 ZINC000058329864 436623941 /nfs/dbraw/zinc/62/39/41/436623941.db2.gz SZFGFDGUOIQXTL-CYBMUJFWSA-N 1 0 342.355 0.988 50 0 ECAARO CN1CCN2CCN(Cc3cccn3-c3ccccn3)C[C@H]2C1=O ZINC000106267471 436590608 /nfs/dbraw/zinc/59/06/08/436590608.db2.gz SNNMFSQKOKZGKK-INIZCTEOSA-N 1 0 325.416 0.831 50 0 ECAARO Cc1nc2c(cnn2C)c(N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)n1 ZINC000106978426 436606408 /nfs/dbraw/zinc/60/64/08/436606408.db2.gz WFMHEDMQVZEEJP-AWEZNQCLSA-N 1 0 330.436 0.955 50 0 ECAARO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3C[N@@H+](C)C[C@@H]3C)ccc21 ZINC000107142615 436608616 /nfs/dbraw/zinc/60/86/16/436608616.db2.gz LPGUKQDSTGJXOX-XHDPSFHLSA-N 1 0 337.445 0.824 50 0 ECAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000060561830 436633718 /nfs/dbraw/zinc/63/37/18/436633718.db2.gz IESBITZIEDMCJD-GJZGRUSLSA-N 1 0 345.509 0.896 50 0 ECAARO C[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000065422730 436659953 /nfs/dbraw/zinc/65/99/53/436659953.db2.gz ONNMYCBQWVNFBX-UHFFFAOYSA-N 1 0 333.436 0.765 50 0 ECAARO CN1CC[C@@H]([N@H+](C)CCC(=O)NCc2ccccc2-n2cncn2)C1 ZINC000223035609 436705384 /nfs/dbraw/zinc/70/53/84/436705384.db2.gz OIBYDNJTGAZFHD-MRXNPFEDSA-N 1 0 342.447 0.910 50 0 ECAARO COc1cccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000225627227 436712056 /nfs/dbraw/zinc/71/20/56/436712056.db2.gz FJYRETLVDCSQMY-CQSZACIVSA-N 1 0 340.445 0.915 50 0 ECAARO Cn1nnc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000225790561 436713609 /nfs/dbraw/zinc/71/36/09/436713609.db2.gz MHOGTDBDMPFWJG-LBPRGKRZSA-N 1 0 337.815 0.966 50 0 ECAARO CC[C@H](CNC(=O)N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC000065443975 436661664 /nfs/dbraw/zinc/66/16/64/436661664.db2.gz RVKQUFCSLAAFNO-CQSZACIVSA-N 1 0 346.497 0.584 50 0 ECAARO COc1cc(N2CC[NH+](C3CCN(C(C)=O)CC3)CC2)nc(OC)n1 ZINC000065490236 436664562 /nfs/dbraw/zinc/66/45/62/436664562.db2.gz PEXROGIROLLEND-UHFFFAOYSA-N 1 0 349.435 0.627 50 0 ECAARO CC(C)[N@H+](C)CC(=O)NCCS(=O)(=O)NCc1ccc(F)cc1 ZINC000065538788 436666262 /nfs/dbraw/zinc/66/62/62/436666262.db2.gz RAGKQUMUALGQPL-UHFFFAOYSA-N 1 0 345.440 0.702 50 0 ECAARO CC(C)CC(=O)N1CCN(c2nc3c(c(=O)[nH]2)CC[NH2+]CC3)CC1 ZINC000065529921 436667136 /nfs/dbraw/zinc/66/71/36/436667136.db2.gz KOQGGTLYMRCFCV-UHFFFAOYSA-N 1 0 333.436 0.153 50 0 ECAARO CNC(=O)NC(=O)[C@H](C)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065624431 436670377 /nfs/dbraw/zinc/67/03/77/436670377.db2.gz CNZZINMNRFMICJ-IHRRRGAJSA-N 1 0 340.468 0.652 50 0 ECAARO CC(C)(C)OC(=O)C1(S(=O)(=O)N2CCNCC2)CCOCC1 ZINC000142148345 436671630 /nfs/dbraw/zinc/67/16/30/436671630.db2.gz ZWULIXQENYLFTJ-UHFFFAOYSA-N 1 0 334.438 0.112 50 0 ECAARO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000229311833 436714609 /nfs/dbraw/zinc/71/46/09/436714609.db2.gz GIDLCUJLARKGLX-ABAIWWIYSA-N 1 0 337.445 0.591 50 0 ECAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c[nH]cn3)CC2)C1 ZINC000067786294 436723793 /nfs/dbraw/zinc/72/37/93/436723793.db2.gz LXKULAABSKWQRM-HNNXBMFYSA-N 1 0 349.479 0.849 50 0 ECAARO COc1ccccc1[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1noc(C)n1 ZINC000237225096 436728317 /nfs/dbraw/zinc/72/83/17/436728317.db2.gz IJRBRFLPRWGPMD-UONOGXRCSA-N 1 0 332.360 0.581 50 0 ECAARO O=C(NCCCc1nc(-c2ccncc2)cs1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238096529 436754705 /nfs/dbraw/zinc/75/47/05/436754705.db2.gz FBHADYSMEGHHHR-QWHCGFSZSA-N 1 0 332.429 0.977 50 0 ECAARO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000241157276 436758673 /nfs/dbraw/zinc/75/86/73/436758673.db2.gz JWISHKZGVJGQBN-JCGIZDLHSA-N 1 0 345.443 0.701 50 0 ECAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000229560782 436717193 /nfs/dbraw/zinc/71/71/93/436717193.db2.gz IPYYXXKTDCSNBX-YESZJQIVSA-N 1 0 325.453 0.155 50 0 ECAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248081326 436799644 /nfs/dbraw/zinc/79/96/44/436799644.db2.gz AKQPSHFVGUPNRV-RRFJBIMHSA-N 1 0 343.493 0.743 50 0 ECAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+][C@H](C)C(=O)N(CC)CC ZINC000252673083 436839846 /nfs/dbraw/zinc/83/98/46/436839846.db2.gz QXFNQYRILNWAFQ-MGPQQGTHSA-N 1 0 333.498 0.893 50 0 ECAARO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CO)C1)c1cccs1 ZINC000253408173 436841936 /nfs/dbraw/zinc/84/19/36/436841936.db2.gz XWPTWFNBZQJLHZ-CHWSQXEVSA-N 1 0 339.461 0.698 50 0 ECAARO Cc1cc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc[nH+]1 ZINC000253428533 436845840 /nfs/dbraw/zinc/84/58/40/436845840.db2.gz DMFWZQSIEHQHPQ-UHFFFAOYSA-N 1 0 340.449 0.843 50 0 ECAARO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157867994 436834197 /nfs/dbraw/zinc/83/41/97/436834197.db2.gz MPOTUWSHPKLBBP-TZMCWYRMSA-N 1 0 329.408 0.803 50 0 ECAARO COc1ccc([C@@H]2Cn3nnc(CN4CC[NH2+]CC4)c3CO2)cc1 ZINC000263617637 436970994 /nfs/dbraw/zinc/97/09/94/436970994.db2.gz OUYRQDXQMRYHSZ-KRWDZBQOSA-N 1 0 329.404 0.963 50 0 ECAARO CN(CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1)Cc1cccnc1 ZINC000299774111 437113120 /nfs/dbraw/zinc/11/31/20/437113120.db2.gz AILMHHGABLIKMA-IRXDYDNUSA-N 1 0 332.448 0.883 50 0 ECAARO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](O)C[C@H]2CO)C[N@@H+]1Cc1ccccc1 ZINC000185642593 437447217 /nfs/dbraw/zinc/44/72/17/437447217.db2.gz IJRYPPRTWXQBMA-ORQFMDKSSA-N 1 0 333.432 0.787 50 0 ECAARO O=C(NCCCO)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000426486478 438060141 /nfs/dbraw/zinc/06/01/41/438060141.db2.gz UXPYQKYIHFFQSV-URSIVYNOSA-N 1 0 344.459 0.236 50 0 ECAARO O=C(C1CC[NH+](C2CCOCC2)CC1)N1Cc2cnn(CCO)c2C1 ZINC000426504661 438063067 /nfs/dbraw/zinc/06/30/67/438063067.db2.gz VWESQCXYUYBQDM-UHFFFAOYSA-N 1 0 348.447 0.609 50 0 ECAARO NC(=O)c1noc(CSc2nnc(C[NH3+])n2-c2ccc(F)cc2)n1 ZINC000426594886 438069187 /nfs/dbraw/zinc/06/91/87/438069187.db2.gz NZAWYSIPZFTSGX-UHFFFAOYSA-N 1 0 349.351 0.639 50 0 ECAARO COc1ccc(C(=O)NC[C@@H]2COCC[N@H+](C)C2)cc1OCC[NH3+] ZINC000426615215 438069283 /nfs/dbraw/zinc/06/92/83/438069283.db2.gz VHVONMWZWUKNTE-ZDUSSCGKSA-N 1 0 337.420 0.341 50 0 ECAARO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000408519196 438581213 /nfs/dbraw/zinc/58/12/13/438581213.db2.gz QDDIAYDPQYNIOP-NEPJUHHUSA-N 1 0 346.474 0.899 50 0 ECAARO CO[C@](C)(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1ccccc1F ZINC000408517313 438581257 /nfs/dbraw/zinc/58/12/57/438581257.db2.gz GRUXMPALLAFPMN-PXAZEXFGSA-N 1 0 339.411 0.870 50 0 ECAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN2C(=O)OC[C@H]2C1 ZINC000534654271 439531696 /nfs/dbraw/zinc/53/16/96/439531696.db2.gz DNXRWLGIPMPCOQ-MRXNPFEDSA-N 1 0 344.415 0.891 50 0 ECAARO CN1CCN([C@H]2COC[C@@H]2NC(=O)C[NH+]2CCCCCCC2)CC1 ZINC000534673151 439533935 /nfs/dbraw/zinc/53/39/35/439533935.db2.gz KXKPAIMDVGWJLD-IRXDYDNUSA-N 1 0 338.496 0.384 50 0 ECAARO CCCNS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000585114801 439632383 /nfs/dbraw/zinc/63/23/83/439632383.db2.gz AHKVIXHEEPNASW-KGLIPLIRSA-N 1 0 348.513 0.398 50 0 ECAARO O=C(Nc1cccnc1N1CCCC1)N[C@@H](CO)CN1CCOCC1 ZINC000585137303 439634188 /nfs/dbraw/zinc/63/41/88/439634188.db2.gz ROLNIYNQBBPIEN-CQSZACIVSA-N 1 0 349.435 0.496 50 0 ECAARO O=C(N1CC2(C1)CC(=O)NCCN2)C(F)(F)c1ccccc1F ZINC000585136970 439634664 /nfs/dbraw/zinc/63/46/64/439634664.db2.gz AQFRFPFQUZQNRI-UHFFFAOYSA-N 1 0 327.306 0.608 50 0 ECAARO Cn1nccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652384233 439833548 /nfs/dbraw/zinc/83/35/48/439833548.db2.gz UJDSFPNINDMVJW-XQQFMLRXSA-N 1 0 328.438 0.470 50 0 ECAARO CC(=O)N1CC[C@@]([NH3+])(C(=O)Nc2cc(Br)c[nH]c2=O)C1 ZINC000649306258 440454647 /nfs/dbraw/zinc/45/46/47/440454647.db2.gz IPUPDUAYZWNRMM-LBPRGKRZSA-N 1 0 343.181 0.438 50 0 ECAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000244831515 536075790 /nfs/dbraw/zinc/07/57/90/536075790.db2.gz UFEMOGMRSJXYNW-LBPRGKRZSA-N 1 0 328.438 0.643 50 0 ECAARO CN1CC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CC1=O ZINC000053745344 536423837 /nfs/dbraw/zinc/42/38/37/536423837.db2.gz HPIOWLMAEBGOTL-ZDUSSCGKSA-N 1 0 331.420 0.640 50 0 ECAARO C[N@@H+]1CCN(c2ccnc(N)n2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230180638 536424665 /nfs/dbraw/zinc/42/46/65/536424665.db2.gz ALEUPZPGFYLWAY-GOSISDBHSA-N 1 0 344.463 0.972 50 0 ECAARO O=C(CCN1Cc2ccccc2C1=O)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091593898 545724700 /nfs/dbraw/zinc/72/47/00/545724700.db2.gz HSLPTAKHLRLPFY-KXBFYZLASA-N 1 0 343.427 0.605 50 0 ECAARO Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc(C2CC([NH3+])C2)n1 ZINC000222823292 545923834 /nfs/dbraw/zinc/92/38/34/545923834.db2.gz PVAGRWOGPDDJJT-UHFFFAOYSA-N 1 0 348.432 0.523 50 0 ECAARO C[N@@H+]1CCCN(CC(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000670437134 548010784 /nfs/dbraw/zinc/01/07/84/548010784.db2.gz XSBMPWXXZNHCBI-OAHLLOKOSA-N 1 0 336.480 0.531 50 0 ECAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccno1 ZINC000670473509 548018739 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343.431 0.376 50 0 ECAARO Cc1ccc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2C[NH+](C)C)cn1 ZINC000169790727 609746909 /nfs/dbraw/zinc/74/69/09/609746909.db2.gz JTHDYOADQWUQCC-HZPDHXFCSA-N 1 0 340.431 0.976 50 0 ECAARO CC(=O)N1C[C@H](CO)C2(C1)CC[NH+](C1CCN(C(C)=O)CC1)CC2 ZINC000169791344 609747226 /nfs/dbraw/zinc/74/72/26/609747226.db2.gz BGRIZVZKEYCLRH-MRXNPFEDSA-N 1 0 337.464 0.550 50 0 ECAARO C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C2CCS(=O)(=O)CC2)CC1 ZINC000952968669 612138958 /nfs/dbraw/zinc/13/89/58/612138958.db2.gz HVLFCZFZHFWSEW-HNNXBMFYSA-N 1 0 343.493 0.238 50 0 ECAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000952989576 612140167 /nfs/dbraw/zinc/14/01/67/612140167.db2.gz XLJJOKFJJYEXSB-LLVKDONJSA-N 1 0 347.394 0.858 50 0 ECAARO COCCC(=O)N1CCC2(C[C@H](CN3CCOCC3)[N@H+](C)C2)CC1 ZINC000581802940 738445877 /nfs/dbraw/zinc/44/58/77/738445877.db2.gz RRFUVSMLEKNEGL-MRXNPFEDSA-N 1 0 339.480 0.668 50 0 ECAARO CCc1cccc(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000051761633 214103185 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O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cc(Cl)ccc1O ZINC000040288049 213289369 /nfs/dbraw/zinc/28/93/69/213289369.db2.gz AYHNTUOLEMMFOU-UHFFFAOYSA-N 1 0 326.784 0.006 50 0 ECAARO C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000071867445 215897717 /nfs/dbraw/zinc/89/77/17/215897717.db2.gz PRBDVNYUILNSGD-ZDUSSCGKSA-N 1 0 339.461 0.456 50 0 ECAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1c(C)nc2ccc(Cl)cn21 ZINC000067847236 283418622 /nfs/dbraw/zinc/41/86/22/283418622.db2.gz CBNJFESUALFMOH-QWRGUYRKSA-N 1 0 335.795 0.584 50 0 ECAARO CCn1cnnc1CCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000072138667 216025603 /nfs/dbraw/zinc/02/56/03/216025603.db2.gz RMPTXEYESYUDCH-AWEZNQCLSA-N 1 0 348.451 0.090 50 0 ECAARO O=C(C[C@H]1COCC[NH2+]1)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000072145229 216032016 /nfs/dbraw/zinc/03/20/16/216032016.db2.gz XONLINXJOGCAHO-LBPRGKRZSA-N 1 0 330.381 0.094 50 0 ECAARO O=C(CCC(=O)N1CCO[C@@]2(C1)C[NH2+]CCOC2)c1ccccc1 ZINC000072157696 216046812 /nfs/dbraw/zinc/04/68/12/216046812.db2.gz WOJYLWSXSWUSFK-GOSISDBHSA-N 1 0 332.400 0.867 50 0 ECAARO COCCOCC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072172823 216063387 /nfs/dbraw/zinc/06/33/87/216063387.db2.gz DOFJZXYBGXHAEO-SJORKVTESA-N 1 0 334.416 0.584 50 0 ECAARO C[NH+](C)C[C@@H]1CN(CC(=O)NC[C@@H]2COc3ccccc3O2)CCO1 ZINC000072267635 216087371 /nfs/dbraw/zinc/08/73/71/216087371.db2.gz NZKNSROZMVYLJI-HUUCEWRRSA-N 1 0 349.431 0.205 50 0 ECAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000072300177 216138601 /nfs/dbraw/zinc/13/86/01/216138601.db2.gz QLLSOTCYIBQYJE-VXGBXAGGSA-N 1 0 340.449 0.371 50 0 ECAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)c3cc(N)n[nH]3)C2)CCC1=O ZINC000072407834 216198219 /nfs/dbraw/zinc/19/82/19/216198219.db2.gz XIYMYGQLUBWPMQ-QGZVFWFLSA-N 1 0 348.451 0.398 50 0 ECAARO Cc1c(C[N@@H+]2CCOC[C@@H](CO)C2)c(=O)n(-c2ccccc2)n1C ZINC000072411807 216204189 /nfs/dbraw/zinc/20/41/89/216204189.db2.gz KLRGRDHQZRJTMI-OAHLLOKOSA-N 1 0 331.416 0.925 50 0 ECAARO Cc1nc(C2CCN(C(=O)[C@@H](C)[NH3+])CC2)cc(N2CCOCC2)n1 ZINC000072419418 216208189 /nfs/dbraw/zinc/20/81/89/216208189.db2.gz BTCFDLWJTFIWIC-GFCCVEGCSA-N 1 0 333.436 0.675 50 0 ECAARO CS(=O)(=O)CCNc1nc(-c2ccco2)nc2c1CC[NH2+]CC2 ZINC000072438359 216231920 /nfs/dbraw/zinc/23/19/20/216231920.db2.gz GLIPEVAMVCWWEV-UHFFFAOYSA-N 1 0 336.417 0.881 50 0 ECAARO C[NH+](C)CCOc1cccc(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1 ZINC000072454097 216240839 /nfs/dbraw/zinc/24/08/39/216240839.db2.gz OQGRULUNWLWTBW-MAUKXSAKSA-N 1 0 347.415 0.260 50 0 ECAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3ncnc4nc[nH]c43)CC[C@H]21 ZINC000072469337 216249097 /nfs/dbraw/zinc/24/90/97/216249097.db2.gz JGJIVEPIPMQYIM-NWDGAFQWSA-N 1 0 329.408 0.390 50 0 ECAARO Cc1nc(C2CCN(C(=O)CC[NH3+])CC2)cc(N2CCOCC2)n1 ZINC000072480595 216260634 /nfs/dbraw/zinc/26/06/34/216260634.db2.gz ZRFSHEGJZQWZNY-UHFFFAOYSA-N 1 0 333.436 0.676 50 0 ECAARO O=C(CC[NH2+]Cc1ccncc1)N1CCN(c2ncccn2)CC1 ZINC000078979891 283785509 /nfs/dbraw/zinc/78/55/09/283785509.db2.gz OXQDJMIPISDIQH-UHFFFAOYSA-N 1 0 326.404 0.700 50 0 ECAARO CCNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022795913 212325546 /nfs/dbraw/zinc/32/55/46/212325546.db2.gz QPOBXNIAYZOKLE-OAHLLOKOSA-N 1 0 336.411 0.367 50 0 ECAARO O=C(CN1C(=O)CNC1=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195099818 240829319 /nfs/dbraw/zinc/82/93/19/240829319.db2.gz IVWSCQORBHFELM-UHFFFAOYSA-N 1 0 330.388 0.450 50 0 ECAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000078486244 217061300 /nfs/dbraw/zinc/06/13/00/217061300.db2.gz RCBIPTGESVHUHD-LBPRGKRZSA-N 1 0 331.424 0.466 50 0 ECAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014748412 211760477 /nfs/dbraw/zinc/76/04/77/211760477.db2.gz UJEAFPKPDZGTTC-UHFFFAOYSA-N 1 0 332.404 0.957 50 0 ECAARO Cc1ocnc1C(=O)N1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091505677 218015854 /nfs/dbraw/zinc/01/58/54/218015854.db2.gz SBEIUQIGQGKTDW-HUUCEWRRSA-N 1 0 336.436 0.301 50 0 ECAARO CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)CC[NH3+])CC1 ZINC000091665382 218043934 /nfs/dbraw/zinc/04/39/34/218043934.db2.gz VXNKBSBPNFOXKG-UHFFFAOYSA-N 1 0 345.451 0.906 50 0 ECAARO C[N@@H+]1CCN(C(=O)c2cnc3c(c2)CCC3)C[C@]12CCNC(=O)CC2 ZINC000091907678 218087232 /nfs/dbraw/zinc/08/72/32/218087232.db2.gz ICJOVOXOAKYETA-IBGZPJMESA-N 1 0 342.443 0.997 50 0 ECAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000091987155 218100024 /nfs/dbraw/zinc/10/00/24/218100024.db2.gz KTMKHVDPSYWOSX-OAHLLOKOSA-N 1 0 347.463 0.677 50 0 ECAARO Cc1nc(CN2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)n(C)n1 ZINC000092028591 218105426 /nfs/dbraw/zinc/10/54/26/218105426.db2.gz BLDUBXVIXWXHRS-KRWDZBQOSA-N 1 0 337.468 0.419 50 0 ECAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000092099849 218119894 /nfs/dbraw/zinc/11/98/94/218119894.db2.gz QHGCAIBKOMPUBD-UHFFFAOYSA-N 1 0 347.394 0.858 50 0 ECAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1[nH]nc2nc(C)cc(C)c21 ZINC000009059924 211036710 /nfs/dbraw/zinc/03/67/10/211036710.db2.gz SQGLMBWNLXPCLZ-UHFFFAOYSA-N 1 0 332.408 0.971 50 0 ECAARO CCCS(=O)(=O)N1CCN(c2cn[nH+]c(N3CCCC3)c2)CC1 ZINC000096121067 218612280 /nfs/dbraw/zinc/61/22/80/218612280.db2.gz ALSZQEIALXNFBJ-UHFFFAOYSA-N 1 0 339.465 0.939 50 0 ECAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@]21c2cccc(C)c2NC1=O ZINC000020548342 285007460 /nfs/dbraw/zinc/00/74/60/285007460.db2.gz IMXFPAPQVPVCBG-WRRPDLTESA-N 1 0 343.383 0.382 50 0 ECAARO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299751059 258007288 /nfs/dbraw/zinc/00/72/88/258007288.db2.gz PJKDNSFOWADDPO-RDJZCZTQSA-N 1 0 328.416 0.887 50 0 ECAARO C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[C@H]1C[NH3+] ZINC000299740273 258010246 /nfs/dbraw/zinc/01/02/46/258010246.db2.gz XUULQHBQICABMD-NHYWBVRUSA-N 1 0 337.445 0.720 50 0 ECAARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2nnc3nc(C)ccn32)C1 ZINC000299768779 258083016 /nfs/dbraw/zinc/08/30/16/258083016.db2.gz ZCULMVIVKWSVTF-CYBMUJFWSA-N 1 0 332.408 0.473 50 0 ECAARO Cc1ccc(OCC[NH3+])c(C(=O)N(C)C2CCS(=O)(=O)CC2)c1 ZINC000299782323 258090795 /nfs/dbraw/zinc/09/07/95/258090795.db2.gz XDQCPNIQJZZHRS-UHFFFAOYSA-N 1 0 340.445 0.982 50 0 ECAARO COCCN1C[C@@H](C[NH+]2CCN(c3ncnc(C)c3C)CC2)CC1=O ZINC000299768541 258082806 /nfs/dbraw/zinc/08/28/06/258082806.db2.gz XYHHSACWFXGJLX-MRXNPFEDSA-N 1 0 347.463 0.710 50 0 ECAARO COCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC2(c3ccccc3)CC2)C1 ZINC000065407629 292179018 /nfs/dbraw/zinc/17/90/18/292179018.db2.gz XSOFKLBZUVKODA-CRAIPNDOSA-N 1 0 343.427 0.486 50 0 ECAARO C[C@@H]([NH3+])c1ccc2c(c1)N(CC(=O)NC[C@@H]1CCCO1)C(=O)CO2 ZINC000019768073 286927989 /nfs/dbraw/zinc/92/79/89/286927989.db2.gz PFSSXMYMAIPUJU-YPMHNXCESA-N 1 0 333.388 0.727 50 0 ECAARO COCC1(CNC(=O)c2cccc3c2OCC(=O)N3)CC[NH2+]CC1 ZINC000261625043 165217794 /nfs/dbraw/zinc/21/77/94/165217794.db2.gz AEFBLDPHWQNNKO-UHFFFAOYSA-N 1 0 333.388 0.764 50 0 ECAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000107142252 287205738 /nfs/dbraw/zinc/20/57/38/287205738.db2.gz JPOFXASIUALWRW-MCIONIFRSA-N 1 0 331.482 0.647 50 0 ECAARO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(N4CCNC4=O)cc3)[C@@H]2C1 ZINC000285942096 264353555 /nfs/dbraw/zinc/35/35/55/264353555.db2.gz VRTRGCXAQIVGPD-HZPDHXFCSA-N 1 0 344.415 0.761 50 0 ECAARO CC(C)[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1NC(=O)CCn1cnnc1 ZINC000091620402 276032404 /nfs/dbraw/zinc/03/24/04/276032404.db2.gz ONEBVWGFTULAPB-CVEARBPZSA-N 1 0 335.452 0.920 50 0 ECAARO CC[NH+](CC)C[C@@H](C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000095955826 276104507 /nfs/dbraw/zinc/10/45/07/276104507.db2.gz LIMNSELKPGTQNF-LLVKDONJSA-N 1 0 347.419 0.092 50 0 ECAARO C[C@@H](CCN1CCCC1=O)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000095416665 278231402 /nfs/dbraw/zinc/23/14/02/278231402.db2.gz OEKAZFBPAKCLTH-HNNXBMFYSA-N 1 0 346.479 0.719 50 0 ECAARO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333287795 297121380 /nfs/dbraw/zinc/12/13/80/297121380.db2.gz ITLYXMDAONKJGB-ZFWWWQNUSA-N 1 0 348.451 0.901 50 0 ECAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)NC3CCOCC3)C2)n1 ZINC000069742657 435961698 /nfs/dbraw/zinc/96/16/98/435961698.db2.gz LFWSXMWKTJCTHD-HNNXBMFYSA-N 1 0 335.452 0.902 50 0 ECAARO CCOC(=O)C1=C(O)NC(N2CCOCC2)=[NH+][C@H]1c1ccccc1 ZINC000002323657 435964919 /nfs/dbraw/zinc/96/49/19/435964919.db2.gz DFMGFUKBAFQTGG-KGLIPLIRSA-N 1 0 331.372 0.725 50 0 ECAARO NC(=O)c1cnn2c1NC[C@@H](C[NH2+]Cc1cccc3c1OCO3)C2 ZINC000069923050 435977059 /nfs/dbraw/zinc/97/70/59/435977059.db2.gz YPAIFMQUUFAJTA-SNVBAGLBSA-N 1 0 329.360 0.542 50 0 ECAARO CCOC(=O)c1cnn(CC[N@H+]2CCC[C@@H](C(=O)OCC)C2)c1N ZINC000069976936 435979925 /nfs/dbraw/zinc/97/99/25/435979925.db2.gz ABLLUOQCNPDEBP-GFCCVEGCSA-N 1 0 338.408 0.917 50 0 ECAARO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)n1 ZINC000070006084 435981866 /nfs/dbraw/zinc/98/18/66/435981866.db2.gz ZASFDKILGQZKCC-OAHLLOKOSA-N 1 0 345.447 0.952 50 0 ECAARO C[NH+](C)C[C@@H]1CN(CC(=O)N2CCN(c3ccccc3)CC2)CCO1 ZINC000070004093 435983939 /nfs/dbraw/zinc/98/39/39/435983939.db2.gz GSMHXWGVAWIREJ-GOSISDBHSA-N 1 0 346.475 0.598 50 0 ECAARO CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2CC[NH+](C)C ZINC000006759095 436002726 /nfs/dbraw/zinc/00/27/26/436002726.db2.gz KTBXKUKAZNOPAH-UHFFFAOYSA-N 1 0 339.417 0.808 50 0 ECAARO Cn1c(CN2CCC[N@H+](Cc3ccccc3)CC2)cc(=O)n(C)c1=O ZINC000071793357 436012090 /nfs/dbraw/zinc/01/20/90/436012090.db2.gz NFFXFJVVWROPOO-UHFFFAOYSA-N 1 0 342.443 0.792 50 0 ECAARO O=C(c1ccncc1)N1CCC[N@H+](CCCN2CCOCC2)CC1 ZINC000071823548 436013175 /nfs/dbraw/zinc/01/31/75/436013175.db2.gz PLZXTZIVYMAAIB-UHFFFAOYSA-N 1 0 332.448 0.952 50 0 ECAARO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)cc1OC ZINC000071915242 436029575 /nfs/dbraw/zinc/02/95/75/436029575.db2.gz IXYXZPRUYOCFOK-GFCCVEGCSA-N 1 0 349.431 0.906 50 0 ECAARO Cc1nc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)co1 ZINC000072140365 436034370 /nfs/dbraw/zinc/03/43/70/436034370.db2.gz ALNPETHODMOBSP-SFHVURJKSA-N 1 0 340.383 0.959 50 0 ECAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1 ZINC000072300741 436043256 /nfs/dbraw/zinc/04/32/56/436043256.db2.gz GDHZVGKGNNIXHM-RDTXWAMCSA-N 1 0 344.415 0.856 50 0 ECAARO C[C@H]([NH3+])c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)[C@@H](C)O2 ZINC000019768780 436109509 /nfs/dbraw/zinc/10/95/09/436109509.db2.gz QFSUNLLOQIZERB-NWDGAFQWSA-N 1 0 333.388 0.679 50 0 ECAARO COc1cccc(/C=C(\C(=O)N2CCC[NH2+]CC2)n2nnnc2C)c1 ZINC000372022959 300963333 /nfs/dbraw/zinc/96/33/33/300963333.db2.gz CJHKGBYQTDOVAF-FOWTUZBSSA-N 1 0 342.403 0.810 50 0 ECAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000025316682 436149574 /nfs/dbraw/zinc/14/95/74/436149574.db2.gz PMQLMDZNBIKGJT-ZDUSSCGKSA-N 1 0 337.445 0.489 50 0 ECAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000075133582 436151633 /nfs/dbraw/zinc/15/16/33/436151633.db2.gz DWFCZAWXCKMNJV-IAGOWNOFSA-N 1 0 347.463 0.854 50 0 ECAARO CC[NH+]1CCN(c2nc(N3CCN(C)CC3)nc3c2cnn3C)CC1 ZINC000021930052 436116934 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CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC000076083563 436192569 /nfs/dbraw/zinc/19/25/69/436192569.db2.gz BRNVLQDWIJBKIF-DOTOQJQBSA-N 1 0 349.479 0.908 50 0 ECAARO CC(C)[N@H+](C)CCC(=O)NC[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000077322585 436232279 /nfs/dbraw/zinc/23/22/79/436232279.db2.gz BXCGNGUGOPZGMT-CQSZACIVSA-N 1 0 335.452 0.453 50 0 ECAARO CCCNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)C(C)C)CC2)n1 ZINC000034677279 436256689 /nfs/dbraw/zinc/25/66/89/436256689.db2.gz NTPXAOAELWTVCB-OAHLLOKOSA-N 1 0 338.452 0.949 50 0 ECAARO O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000082109311 436361274 /nfs/dbraw/zinc/36/12/74/436361274.db2.gz FABNQOZJKDHNLW-AWEZNQCLSA-N 1 0 334.420 0.404 50 0 ECAARO COCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OC)cc1 ZINC000045966694 436381198 /nfs/dbraw/zinc/38/11/98/436381198.db2.gz JQBNGXXPSKGKDT-UHFFFAOYSA-N 1 0 349.431 0.606 50 0 ECAARO C[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000046955187 436404881 /nfs/dbraw/zinc/40/48/81/436404881.db2.gz PIGHNBUNNSXLHZ-KBPBESRZSA-N 1 0 345.509 0.895 50 0 ECAARO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)C1 ZINC000089375309 436409394 /nfs/dbraw/zinc/40/93/94/436409394.db2.gz ZJBHCBQLIZHLEX-CVEARBPZSA-N 1 0 331.416 0.624 50 0 ECAARO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000044941743 436355100 /nfs/dbraw/zinc/35/51/00/436355100.db2.gz ABQRHONVSIYSFY-HUUCEWRRSA-N 1 0 337.445 0.951 50 0 ECAARO CN(C)c1ncccc1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000044954775 436356493 /nfs/dbraw/zinc/35/64/93/436356493.db2.gz HBORZGSGBWWMSX-HNNXBMFYSA-N 1 0 335.452 0.794 50 0 ECAARO COc1cccc(CN2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2=O)c1 ZINC000082086658 436359222 /nfs/dbraw/zinc/35/92/22/436359222.db2.gz OIPLPPUSZXPGNH-OAHLLOKOSA-N 1 0 347.415 0.245 50 0 ECAARO Cn1c(=O)ccn(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1=O ZINC000048072511 436439741 /nfs/dbraw/zinc/43/97/41/436439741.db2.gz VYHHJGQMMWZGQD-CYBMUJFWSA-N 1 0 346.387 0.093 50 0 ECAARO Cc1ncc(CC(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)c(=O)[nH]1 ZINC000091270062 436449029 /nfs/dbraw/zinc/44/90/29/436449029.db2.gz QVMJZIMJOAABHO-HUUCEWRRSA-N 1 0 348.447 0.174 50 0 ECAARO CC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)C[C@@H](O)C1 ZINC000091321023 436449401 /nfs/dbraw/zinc/44/94/01/436449401.db2.gz MPVNZTMNTMNPFG-HNNXBMFYSA-N 1 0 333.436 0.805 50 0 ECAARO CN1CCC[N@H+](CCC(=O)N2CCC3(CC2)OCCC[C@H]3O)CC1 ZINC000091462431 436451217 /nfs/dbraw/zinc/45/12/17/436451217.db2.gz SYABFKKUIGFECR-MRXNPFEDSA-N 1 0 339.480 0.547 50 0 ECAARO CC(C)[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000091616416 436454383 /nfs/dbraw/zinc/45/43/83/436454383.db2.gz KNXWUVYONMXQRT-CABCVRRESA-N 1 0 348.447 0.552 50 0 ECAARO COc1cccc([C@H]2CN(C(=O)CCN3CCCC3=O)C[C@@H]2[NH3+])c1 ZINC000091793375 436460858 /nfs/dbraw/zinc/46/08/58/436460858.db2.gz OXLGGZXMFMLFDV-CVEARBPZSA-N 1 0 331.416 0.961 50 0 ECAARO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](C[N@H+]3CCCN(C)CC3)C2)[nH]n1 ZINC000092065298 436466731 /nfs/dbraw/zinc/46/67/31/436466731.db2.gz KUJYVYNHEXDLIK-HZPDHXFCSA-N 1 0 349.479 0.426 50 0 ECAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(-c2nnn(C)n2)cc1 ZINC000095480474 436496209 /nfs/dbraw/zinc/49/62/09/436496209.db2.gz LFVXFOCBTQLLSQ-CQSZACIVSA-N 1 0 344.419 0.856 50 0 ECAARO COCC(=O)N1CCC(C(=O)NCCNc2cc(C)cc[nH+]2)CC1 ZINC000095506616 436498411 /nfs/dbraw/zinc/49/84/11/436498411.db2.gz WNUVQQULUWVNQF-UHFFFAOYSA-N 1 0 334.420 0.803 50 0 ECAARO Cc1nnsc1CN(C)C(=O)CN1CC2(CC[NH2+]CC2)OC1=O ZINC000095530968 436499135 /nfs/dbraw/zinc/49/91/35/436499135.db2.gz UNVVODUOMVYVRH-UHFFFAOYSA-N 1 0 339.421 0.379 50 0 ECAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000096004941 436503480 /nfs/dbraw/zinc/50/34/80/436503480.db2.gz PACGSNSFHAMJJT-UHFFFAOYSA-N 1 0 343.493 0.743 50 0 ECAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCCN(CC(F)F)CC1 ZINC000096487631 436531574 /nfs/dbraw/zinc/53/15/74/436531574.db2.gz MHJMWNLSQXPSQE-CYBMUJFWSA-N 1 0 333.427 0.215 50 0 ECAARO Cn1cc(CCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)cn1 ZINC000096407664 436531772 /nfs/dbraw/zinc/53/17/72/436531772.db2.gz RAJDDSOOCOKPMT-GJZGRUSLSA-N 1 0 326.466 0.204 50 0 ECAARO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cccnc2)CC1 ZINC000096428381 436532888 /nfs/dbraw/zinc/53/28/88/436532888.db2.gz LIHAQKCHSLXNCH-AWEZNQCLSA-N 1 0 326.466 0.634 50 0 ECAARO C[NH+]1CCN(c2ccc(F)cc2C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000096412333 436532927 /nfs/dbraw/zinc/53/29/27/436532927.db2.gz UDSASQOEKYVNOA-ZDUSSCGKSA-N 1 0 348.422 0.915 50 0 ECAARO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000058406439 436625307 /nfs/dbraw/zinc/62/53/07/436625307.db2.gz VMZMDTBFXVDYEB-UHFFFAOYSA-N 1 0 331.486 0.556 50 0 ECAARO Cc1nc2n(n1)C[C@H]([NH2+]CC(=O)N1CCO[C@@H]3CCCC[C@H]31)CC2 ZINC000106908981 436605862 /nfs/dbraw/zinc/60/58/62/436605862.db2.gz VKOKVDKQNQTVSV-RBSFLKMASA-N 1 0 333.436 0.661 50 0 ECAARO CC(C)=CC[N@@H+]1CCN(c2nc(N)nc3nc[nH]c32)C[C@H]1CCO ZINC000106951042 436607442 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Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C(CO)CO)C1 ZINC000072475955 294152824 /nfs/dbraw/zinc/15/28/24/294152824.db2.gz MGXMDWJFSQPIRA-CQSZACIVSA-N 1 0 337.468 0.334 50 0 ECAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000237850237 295246004 /nfs/dbraw/zinc/24/60/04/295246004.db2.gz PNSAVCMTUNNVLJ-AWEZNQCLSA-N 1 0 330.388 0.692 50 0 ECAARO Cc1nnc2ccc(N3CCN(c4cc(C)[nH+]c(N)n4)CC3)nn12 ZINC000069705040 435959698 /nfs/dbraw/zinc/95/96/98/435959698.db2.gz IIENEPAXOHTDCH-UHFFFAOYSA-N 1 0 325.380 0.440 50 0 ECAARO C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000069738446 435961809 /nfs/dbraw/zinc/96/18/09/435961809.db2.gz DIBJKSBMBZZDBP-SJLPKXTDSA-N 1 0 346.475 0.819 50 0 ECAARO Cc1ccc(C)c(S(=O)(=O)CC[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000069738525 435962385 /nfs/dbraw/zinc/96/23/85/435962385.db2.gz MBCSVIQCRXXKJK-OAHLLOKOSA-N 1 0 326.462 0.997 50 0 ECAARO NC(=O)NC(=O)CC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000069773160 435966108 /nfs/dbraw/zinc/96/61/08/435966108.db2.gz AEDVODFXCZQRCV-UHFFFAOYSA-N 1 0 334.376 0.778 50 0 ECAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000069816834 435968615 /nfs/dbraw/zinc/96/86/15/435968615.db2.gz ZUQWGYSKFHTMSY-CQSZACIVSA-N 1 0 348.451 0.937 50 0 ECAARO Cc1ccc(N2CCC[C@@H]([NH2+]CCC(=O)N3CCOCC3)C2)nn1 ZINC000069919700 435976902 /nfs/dbraw/zinc/97/69/02/435976902.db2.gz TYMWPUYUFAQZML-OAHLLOKOSA-N 1 0 333.436 0.592 50 0 ECAARO [NH3+]CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000005192427 435986962 /nfs/dbraw/zinc/98/69/62/435986962.db2.gz CCSGGWGTGOLEHK-OBJOEFQTSA-N 1 0 328.482 0.957 50 0 in-vitro ECAARO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000070720310 435988366 /nfs/dbraw/zinc/98/83/66/435988366.db2.gz DVUVDVDOBVCCET-OAHLLOKOSA-N 1 0 339.461 0.788 50 0 ECAARO COc1cc(C)nc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)n1 ZINC000069655095 435953200 /nfs/dbraw/zinc/95/32/00/435953200.db2.gz XUCQLWRYCKUUPV-CQSZACIVSA-N 1 0 332.408 0.173 50 0 ECAARO Cn1cc(CN2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)cn1 ZINC000069630174 435955221 /nfs/dbraw/zinc/95/52/21/435955221.db2.gz RRZMIPKJFSSSLS-IRXDYDNUSA-N 1 0 338.452 0.094 50 0 ECAARO CC1CC[NH+](C[C@H](O)CN2C(=O)N[C@@]3(CCSC3)C2=O)CC1 ZINC000071825019 436013202 /nfs/dbraw/zinc/01/32/02/436013202.db2.gz DMZFUEMWRWSUCP-SWLSCSKDSA-N 1 0 327.450 0.507 50 0 ECAARO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000071875366 436021633 /nfs/dbraw/zinc/02/16/33/436021633.db2.gz OGZOGXLPBVCGOF-CQSZACIVSA-N 1 0 331.420 0.644 50 0 ECAARO COCC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 ZINC000071880106 436024320 /nfs/dbraw/zinc/02/43/20/436024320.db2.gz AXZWCYIDKACOFG-CQSZACIVSA-N 1 0 335.404 0.861 50 0 ECAARO CCN(C[C@@H]1CCOC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000071920330 436030507 /nfs/dbraw/zinc/03/05/07/436030507.db2.gz JHEKMXOICWAFTL-GJZGRUSLSA-N 1 0 340.468 0.642 50 0 ECAARO C[NH+](C)CCn1cc(C(=O)NCCC(=O)NCc2ccccc2)nn1 ZINC000071921956 436031269 /nfs/dbraw/zinc/03/12/69/436031269.db2.gz RPIQQTZZAWTDQV-UHFFFAOYSA-N 1 0 344.419 0.276 50 0 ECAARO COCc1nnc(NC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)s1 ZINC000072127329 436033014 /nfs/dbraw/zinc/03/30/14/436033014.db2.gz IGRYSOUVDDDOIV-AWEZNQCLSA-N 1 0 343.453 0.012 50 0 ECAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CNS(C)(=O)=O)C1 ZINC000072156399 436033459 /nfs/dbraw/zinc/03/34/59/436033459.db2.gz GOUKRZXCSSLZKT-OAHLLOKOSA-N 1 0 339.461 0.659 50 0 ECAARO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000072267930 436036011 /nfs/dbraw/zinc/03/60/11/436036011.db2.gz KNBSTWLCYCLRFI-LZWOXQAQSA-N 1 0 333.432 0.935 50 0 ECAARO C[C@@H]1Oc2ccc(NC(=O)c3cn(CC[NH+](C)C)nn3)cc2NC1=O ZINC000072295147 436041682 /nfs/dbraw/zinc/04/16/82/436041682.db2.gz NZMWVBAVKCZYMW-JTQLQIEISA-N 1 0 344.375 0.811 50 0 ECAARO CC1CCN(Cc2nnnn2CC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000014975525 436075757 /nfs/dbraw/zinc/07/57/57/436075757.db2.gz OJBXCBZIOZDSRV-AWEZNQCLSA-N 1 0 335.456 0.068 50 0 ECAARO CN1CCN(C2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)CC2)C1=O ZINC000075131535 436153412 /nfs/dbraw/zinc/15/34/12/436153412.db2.gz QHJUOGHOGLXTJB-UHFFFAOYSA-N 1 0 337.424 0.149 50 0 ECAARO COc1ccc(CCN2C(=O)NC3(CC[NH2+]CC3)C2=O)cc1OC ZINC000077374949 436233883 /nfs/dbraw/zinc/23/38/83/436233883.db2.gz BVGBAKLBHJPFNW-UHFFFAOYSA-N 1 0 333.388 0.920 50 0 ECAARO CC(=O)N1CCN([C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]2C)CC1 ZINC000076055810 436189809 /nfs/dbraw/zinc/18/98/09/436189809.db2.gz WZWSEQRNUKMNGF-RDJZCZTQSA-N 1 0 336.480 0.483 50 0 ECAARO Cn1nc2c(cc1=O)C[N@@H+](CCc1nc3ccccc3c(=O)[nH]1)CC2 ZINC000076064754 436191930 /nfs/dbraw/zinc/19/19/30/436191930.db2.gz MOIWXHISLLLYPX-UHFFFAOYSA-N 1 0 337.383 0.618 50 0 ECAARO O=C(Cn1nnc2ccccc2c1=O)NCC[NH+]1CCCCCC1 ZINC000044912892 436351978 /nfs/dbraw/zinc/35/19/78/436351978.db2.gz LAABIJDUDQBTPM-UHFFFAOYSA-N 1 0 329.404 0.784 50 0 ECAARO CCCn1nc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1=O ZINC000044911326 436352213 /nfs/dbraw/zinc/35/22/13/436352213.db2.gz KTAXZWWHQOYGAC-HNNXBMFYSA-N 1 0 348.447 0.980 50 0 ECAARO O=C(C[C@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000042722586 436313570 /nfs/dbraw/zinc/31/35/70/436313570.db2.gz MCBMZSPUMXHLER-GFCCVEGCSA-N 1 0 336.417 0.381 50 0 ECAARO Cc1ccc2oc(=O)n(CC(=O)NCc3cc4n(n3)CC[NH2+]C4)c2c1 ZINC000082086982 436361398 /nfs/dbraw/zinc/36/13/98/436361398.db2.gz OOZMCBYNIZDBDU-UHFFFAOYSA-N 1 0 341.371 0.519 50 0 ECAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1cnc(CN2CCCC2)s1 ZINC000082108577 436361736 /nfs/dbraw/zinc/36/17/36/436361736.db2.gz FJNGQZAXCBSVHJ-UHFFFAOYSA-N 1 0 346.460 0.969 50 0 ECAARO [NH3+][C@@H]1CCN(C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)C[C@H]1O ZINC000082138908 436363086 /nfs/dbraw/zinc/36/30/86/436363086.db2.gz JTZHWGQKPJUGLB-ZIAGYGMSSA-N 1 0 348.382 0.180 50 0 ECAARO CNS(=O)(=O)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000083089399 436369541 /nfs/dbraw/zinc/36/95/41/436369541.db2.gz VDLXJFPXRNHXQW-ZDUSSCGKSA-N 1 0 339.461 0.877 50 0 ECAARO CC[N@@H+]1CCC[C@](O)(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000046087859 436385318 /nfs/dbraw/zinc/38/53/18/436385318.db2.gz YGURYQVPHZCFHK-DOTOQJQBSA-N 1 0 325.453 0.156 50 0 ECAARO COCC[NH+]1CCC(CNC(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000089414405 436410923 /nfs/dbraw/zinc/41/09/23/436410923.db2.gz LPBNULGKVFNIHR-UHFFFAOYSA-N 1 0 344.419 0.751 50 0 ECAARO C[C@@H](C(=O)NCc1ccccc1CN1CC[NH+](C)CC1)n1cncn1 ZINC000044940876 436355209 /nfs/dbraw/zinc/35/52/09/436355209.db2.gz DIJNEPMGWLSPLS-HNNXBMFYSA-N 1 0 342.447 0.903 50 0 ECAARO O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044941714 436356106 /nfs/dbraw/zinc/35/61/06/436356106.db2.gz XDQBIOXGTPEDHZ-HZPDHXFCSA-N 1 0 341.415 0.925 50 0 ECAARO C[NH+]1CCN(CCNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000048289690 436447904 /nfs/dbraw/zinc/44/79/04/436447904.db2.gz NZFBQEIYCWTBMS-UHFFFAOYSA-N 1 0 325.434 0.147 50 0 ECAARO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCOCC1 ZINC000048289668 436448019 /nfs/dbraw/zinc/44/80/19/436448019.db2.gz IAZKVIDILNJAGG-MRXNPFEDSA-N 1 0 339.461 0.990 50 0 ECAARO Cc1cc(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc(C)[nH+]1 ZINC000091364693 436450284 /nfs/dbraw/zinc/45/02/84/436450284.db2.gz GDMFXJRVSRMPRG-AWEZNQCLSA-N 1 0 345.403 0.335 50 0 ECAARO COCC(=O)N1CCc2[nH]cnc2C12CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000091364811 436451005 /nfs/dbraw/zinc/45/10/05/436451005.db2.gz QMDNCFMQEBPLGE-AWEZNQCLSA-N 1 0 347.463 0.484 50 0 ECAARO COCCn1ccnc1[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000091643550 436456235 /nfs/dbraw/zinc/45/62/35/436456235.db2.gz IPJAKGDDXQSEMH-HNNXBMFYSA-N 1 0 336.436 0.568 50 0 ECAARO C[C@H](C1CCN(c2cc(N3CCN(C)CC3)nc(N)n2)CC1)[NH+](C)C ZINC000096162301 436517304 /nfs/dbraw/zinc/51/73/04/436517304.db2.gz HWQQWGRMFVJXQC-CQSZACIVSA-N 1 0 347.511 0.977 50 0 ECAARO CC[NH+](CC)CCOCCNC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC000095939101 436500276 /nfs/dbraw/zinc/50/02/76/436500276.db2.gz GVVGTIJBSQEXPM-UHFFFAOYSA-N 1 0 336.392 0.913 50 0 ECAARO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000095972581 436501420 /nfs/dbraw/zinc/50/14/20/436501420.db2.gz XFJGLVNLPQBIEV-SECBINFHSA-N 1 0 336.410 0.212 50 0 ECAARO Cn1c2nc(C(=O)Nc3cccc(C[NH3+])c3)ccc2c(=O)n(C)c1=O ZINC000095971454 436502329 /nfs/dbraw/zinc/50/23/29/436502329.db2.gz QVELLPXGCKAEPM-UHFFFAOYSA-N 1 0 339.355 0.343 50 0 ECAARO Cc1ccc2c(c1)CCCN2C(=O)CN1CC[N@H+](CCO)C[C@H](O)C1 ZINC000097076655 436537841 /nfs/dbraw/zinc/53/78/41/436537841.db2.gz STJFZBPOYMNZRX-KRWDZBQOSA-N 1 0 347.459 0.245 50 0 ECAARO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000058391666 436625391 /nfs/dbraw/zinc/62/53/91/436625391.db2.gz UOASLESSLHNYCP-LLVKDONJSA-N 1 0 336.392 0.452 50 0 ECAARO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C[C@@H]1[NH+](C)C ZINC000107141660 436608424 /nfs/dbraw/zinc/60/84/24/436608424.db2.gz IAMYDTLNRFFDGH-YCPHGPKFSA-N 1 0 330.432 0.839 50 0 ECAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cn2)CC1 ZINC000061646922 436637592 /nfs/dbraw/zinc/63/75/92/436637592.db2.gz OELZIFRQDHDJDR-AWEZNQCLSA-N 1 0 331.420 0.118 50 0 ECAARO C[NH+](C)C(C)(C)CNC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000065444473 436662056 /nfs/dbraw/zinc/66/20/56/436662056.db2.gz NSLCCJDSIUCOCS-GFCCVEGCSA-N 1 0 334.486 0.440 50 0 ECAARO CS(=O)(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000065443989 436662189 /nfs/dbraw/zinc/66/21/89/436662189.db2.gz QBKVHIKOCNDDJX-UONOGXRCSA-N 1 0 344.481 0.336 50 0 ECAARO Cc1ccc([C@@H](C)NC(=O)C[NH2+]CCN(C)S(C)(=O)=O)cc1 ZINC000065457421 436663221 /nfs/dbraw/zinc/66/32/21/436663221.db2.gz YWGPKIJPXQPSCV-CYBMUJFWSA-N 1 0 327.450 0.653 50 0 ECAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)C1 ZINC000065520447 436664742 /nfs/dbraw/zinc/66/47/42/436664742.db2.gz DTMXUGXYBNYMFS-ZDUSSCGKSA-N 1 0 329.441 0.984 50 0 ECAARO CCN(C(=O)C[N@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1)C1CC1 ZINC000229306449 436714354 /nfs/dbraw/zinc/71/43/54/436714354.db2.gz BNXUKWONGCVBRO-YOEHRIQHSA-N 1 0 336.480 0.482 50 0 ECAARO CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1F ZINC000237345430 436730888 /nfs/dbraw/zinc/73/08/88/436730888.db2.gz LAVLLYCAPSGEGS-GXSJLCMTSA-N 1 0 329.397 0.686 50 0 ECAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000237330636 436731287 /nfs/dbraw/zinc/73/12/87/436731287.db2.gz OCLFUGNXOQMDFK-NEPJUHHUSA-N 1 0 346.474 0.838 50 0 ECAARO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1F ZINC000237345236 436731357 /nfs/dbraw/zinc/73/13/57/436731357.db2.gz ULSHMEWGBYYZIC-JQWIXIFHSA-N 1 0 343.424 0.933 50 0 ECAARO COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000237314152 436731900 /nfs/dbraw/zinc/73/19/00/436731900.db2.gz IELSDZYOGBAMRX-OLZOCXBDSA-N 1 0 340.445 0.925 50 0 ECAARO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000242324413 436758916 /nfs/dbraw/zinc/75/89/16/436758916.db2.gz ZBBYTGXPFOVBOO-MELADBBJSA-N 1 0 329.466 0.544 50 0 ECAARO COCCS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000153551409 436758896 /nfs/dbraw/zinc/75/88/96/436758896.db2.gz GCHLQHSDHALCNS-STQMWFEESA-N 1 0 340.445 0.929 50 0 ECAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000229828933 436716470 /nfs/dbraw/zinc/71/64/70/436716470.db2.gz OFLDLVBBGMBCMN-MAUKXSAKSA-N 1 0 333.480 0.837 50 0 ECAARO NC(=O)C1=NO[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000248769455 436810983 /nfs/dbraw/zinc/81/09/83/436810983.db2.gz OJGRMZMZHUJAKA-LSDHHAIUSA-N 1 0 344.415 0.645 50 0 ECAARO C[C@H](Cn1cccn1)[NH2+]CC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000069490428 436776175 /nfs/dbraw/zinc/77/61/75/436776175.db2.gz JSFUZDPQVYRDHA-CQSZACIVSA-N 1 0 344.415 0.991 50 0 ECAARO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155045923 436787899 /nfs/dbraw/zinc/78/78/99/436787899.db2.gz CFULLKBPOVNTEX-OCCSQVGLSA-N 1 0 329.408 0.673 50 0 ECAARO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 ZINC000247447354 436794656 /nfs/dbraw/zinc/79/46/56/436794656.db2.gz SLQGURQMKZZOKB-NWDGAFQWSA-N 1 0 345.490 0.871 50 0 ECAARO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(=O)NC[C@H]1CCCO1 ZINC000248252897 436800827 /nfs/dbraw/zinc/80/08/27/436800827.db2.gz MYRRSGRUDSUAFX-SOUVJXGZSA-N 1 0 333.436 0.719 50 0 ECAARO CC(C)C[N@H+]1CCc2nnc([C@@H]3CCN(C(=O)CCO)C3)n2CC1 ZINC000257187555 436856592 /nfs/dbraw/zinc/85/65/92/436856592.db2.gz BQRATJJEZYOPFI-CQSZACIVSA-N 1 0 335.452 0.491 50 0 ECAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C1CCOCC1 ZINC000257366257 436876322 /nfs/dbraw/zinc/87/63/22/436876322.db2.gz POYFYPVOWNMBJQ-HIFRSBDPSA-N 1 0 331.482 0.901 50 0 ECAARO CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000261923606 436896116 /nfs/dbraw/zinc/89/61/16/436896116.db2.gz IJMQUOJFQAOCDP-BXUZGUMPSA-N 1 0 325.434 0.937 50 0 ECAARO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000162065008 436900853 /nfs/dbraw/zinc/90/08/53/436900853.db2.gz UVYUPJOATAUGDF-UHFFFAOYSA-N 1 0 333.314 0.548 50 0 ECAARO O=C1C[C@@H]([NH2+]Cc2cnn3ccccc23)CN1CCN1CCOCC1 ZINC000172697076 437025603 /nfs/dbraw/zinc/02/56/03/437025603.db2.gz QFVLTIQSPHTFHX-MRXNPFEDSA-N 1 0 343.431 0.357 50 0 ECAARO CC(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C(N)=O ZINC000184504336 437404158 /nfs/dbraw/zinc/40/41/58/437404158.db2.gz MRLNDNKSBIXOHC-HNNXBMFYSA-N 1 0 333.436 0.855 50 0 ECAARO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](O)C[C@H]2CO)C[N@@H+]1Cc1ccccc1 ZINC000185642538 437448119 /nfs/dbraw/zinc/44/81/19/437448119.db2.gz IJRYPPRTWXQBMA-IWCQGFGOSA-N 1 0 333.432 0.787 50 0 ECAARO Cn1c(CC[NH3+])nnc1SCC(=O)N1CCOc2ccccc21 ZINC000426518302 438061606 /nfs/dbraw/zinc/06/16/06/438061606.db2.gz KCPXGMSYPLDKJV-UHFFFAOYSA-N 1 0 333.417 0.834 50 0 ECAARO C[N@@H+]1CCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1(C)C ZINC000426546211 438066797 /nfs/dbraw/zinc/06/67/97/438066797.db2.gz OEBMINLKFJQRCA-ZDUSSCGKSA-N 1 0 335.452 0.915 50 0 ECAARO NC(=O)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000426693912 438071302 /nfs/dbraw/zinc/07/13/02/438071302.db2.gz WJZRXBLWYBRCFP-OAHLLOKOSA-N 1 0 331.420 0.705 50 0 ECAARO COC(=O)[C@]1(C)CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000374325441 438201655 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C[C@@H](COc1cccc(F)c1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000630092015 440849036 /nfs/dbraw/zinc/84/90/36/440849036.db2.gz AONKQCQFQUOUOM-SMDDNHRTSA-N 1 0 332.397 0.501 50 0 ECAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000331102930 320887710 /nfs/dbraw/zinc/88/77/10/320887710.db2.gz FEKYHYDMGKDRHD-UHFFFAOYSA-N 1 0 346.424 0.959 50 0 ECAARO COCCn1cnnc1CCNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(C)n1 ZINC000244900226 522141263 /nfs/dbraw/zinc/14/12/63/522141263.db2.gz ZYGGQPRZDZEQRG-BETUJISGSA-N 1 0 331.424 0.882 50 0 ECAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000237320171 536465436 /nfs/dbraw/zinc/46/54/36/536465436.db2.gz SGZYKUZKFYGYHB-GFCCVEGCSA-N 1 0 346.474 0.710 50 0 ECAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnc(N2CCCCC2)nc1C ZINC000067740040 536369338 /nfs/dbraw/zinc/36/93/38/536369338.db2.gz SPXDERZASCFZBG-OCCSQVGLSA-N 1 0 346.435 0.063 50 0 ECAARO Cc1noc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000066177552 545675200 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COc1ccc(/C=C\C(=O)N[C@@H]2CCC[NH2+]C2)cc1S(N)(=O)=O ZINC000888096595 586349551 /nfs/dbraw/zinc/34/95/51/586349551.db2.gz BXOQWSDRJUEFET-SMYYYNMVSA-N 1 0 339.417 0.224 50 0 ECAARO O=C(CN1C(=O)CCC1=O)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000169784989 609746087 /nfs/dbraw/zinc/74/60/87/609746087.db2.gz RQOZORAOTMKCBT-CQSZACIVSA-N 1 0 337.420 0.096 50 0 ECAARO COCC[N@@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)c1cnn(C)c1)CC2 ZINC000169789515 609746569 /nfs/dbraw/zinc/74/65/69/609746569.db2.gz WQEOKJHURIGTRZ-HNNXBMFYSA-N 1 0 336.436 0.213 50 0 ECAARO C[NH+](C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)NCc1ccco1 ZINC000169791010 609747300 /nfs/dbraw/zinc/74/73/00/609747300.db2.gz DKNGLVZRLIBWFB-UKRRQHHQSA-N 1 0 344.419 0.935 50 0 ECAARO Nc1ncncc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000192380096 611990549 /nfs/dbraw/zinc/99/05/49/611990549.db2.gz QOQSRGVBOOMXQD-AWEZNQCLSA-N 1 0 327.388 0.555 50 0 ECAARO C[NH+](C)C[C@H]1COCCN(C(=O)CCN2CCCCCC2=O)C1 ZINC000952977717 612139727 /nfs/dbraw/zinc/13/97/27/612139727.db2.gz NZPOXJVIFDTXSA-OAHLLOKOSA-N 1 0 325.453 0.816 50 0 ECAARO CC1CCN(S(=O)(=O)N2CCC[C@@](CO)(C[NH+](C)C)C2)CC1 ZINC000952983707 612139767 /nfs/dbraw/zinc/13/97/67/612139767.db2.gz QNKFKIMAUXHAMG-OAHLLOKOSA-N 1 0 333.498 0.599 50 0 ECAARO Cc1cc(=O)n(CCN2CCC([NH+]3CCSCC3)CC2)c(=O)[nH]1 ZINC000253536464 747314442 /nfs/dbraw/zinc/31/44/42/747314442.db2.gz RVYCDOCZZNGREW-UHFFFAOYSA-N 1 0 338.477 0.771 50 0 ECAARO O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000051533140 214097153 /nfs/dbraw/zinc/09/71/53/214097153.db2.gz HAMZACDSXDANAC-KRWDZBQOSA-N 1 0 340.431 0.710 50 0 ECAARO CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000097743379 219053845 /nfs/dbraw/zinc/05/38/45/219053845.db2.gz SNAUYGAWEWCGAG-CYBMUJFWSA-N 1 0 345.403 0.591 50 0 ECAARO CS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2C[NH2+]CCOC2)cc1 ZINC000097757793 219054555 /nfs/dbraw/zinc/05/45/55/219054555.db2.gz MAOUVTNPDWTISR-NSHDSACASA-N 1 0 327.406 0.448 50 0 ECAARO COCC[NH+]1CCC2(CCN(C(=O)c3cn[nH]c3)C[C@H]2CO)CC1 ZINC000097773061 219055749 /nfs/dbraw/zinc/05/57/49/219055749.db2.gz KNEFPONMXQCJJR-HNNXBMFYSA-N 1 0 336.436 0.593 50 0 ECAARO O=C(CN1CCOC1=O)NCC[C@H]1C[N@@H+](C2CCCC2)CCO1 ZINC000067587817 215164226 /nfs/dbraw/zinc/16/42/26/215164226.db2.gz SEFMZRKAHLXRBH-AWEZNQCLSA-N 1 0 325.409 0.588 50 0 ECAARO Cc1ccc(OCC(=O)N2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1 ZINC000067677755 215182899 /nfs/dbraw/zinc/18/28/99/215182899.db2.gz UVBXVLGDAQOPHD-QZTJIDSGSA-N 1 0 348.443 0.792 50 0 ECAARO C[N@@H+]1CC[C@@](C)(CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 ZINC000067696912 215189660 /nfs/dbraw/zinc/18/96/60/215189660.db2.gz UAFFOTIBCLYDAI-KRWDZBQOSA-N 1 0 336.436 0.703 50 0 ECAARO CC(C)C[C@@H](NC(=O)c1cnccn1)c1nnc2n1CC[NH2+]CC2 ZINC000067821624 215222782 /nfs/dbraw/zinc/22/27/82/215222782.db2.gz DCPOQIPHZOBAPH-GFCCVEGCSA-N 1 0 329.408 0.731 50 0 ECAARO C[NH+](C)[C@H]1CN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C[C@@H]1O ZINC000067867788 215234520 /nfs/dbraw/zinc/23/45/20/215234520.db2.gz OPJSDVLBHHYMEQ-HOTGVXAUSA-N 1 0 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C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC000069486909 436776292 /nfs/dbraw/zinc/77/62/92/436776292.db2.gz URLDTAQXYBDOGH-MRXNPFEDSA-N 1 0 344.415 0.412 50 0 ECAARO COCCS(=O)(=O)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000125892157 436778242 /nfs/dbraw/zinc/77/82/42/436778242.db2.gz KHEQDBOXVWNEEH-LBPRGKRZSA-N 1 0 326.418 0.541 50 0 ECAARO C[C@H](Cn1cccn1)[NH2+]CC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000069538559 436779665 /nfs/dbraw/zinc/77/96/65/436779665.db2.gz IPXBJVKAFNNEEB-CHWSQXEVSA-N 1 0 347.385 0.862 50 0 ECAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000252585731 436837748 /nfs/dbraw/zinc/83/77/48/436837748.db2.gz KRCQRYWXWHWDHA-XHSDSOJGSA-N 1 0 338.496 0.905 50 0 ECAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000252670960 436839789 /nfs/dbraw/zinc/83/97/89/436839789.db2.gz MFDVAUYBJDMFGU-UKRRQHHQSA-N 1 0 339.461 0.935 50 0 ECAARO CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000253415549 436843946 /nfs/dbraw/zinc/84/39/46/436843946.db2.gz VJRMTTNUHKUKPA-OLZOCXBDSA-N 1 0 335.456 0.769 50 0 ECAARO CO[C@@H]1C[C@H]2C(=O)N(C3CC[NH+](CCOC(C)C)CC3)C(=O)N2C1 ZINC000253433471 436847295 /nfs/dbraw/zinc/84/72/95/436847295.db2.gz XLMPRMSTSNJHBA-CABCVRRESA-N 1 0 339.436 0.927 50 0 ECAARO Cc1ccccc1C(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000257174090 436855416 /nfs/dbraw/zinc/85/54/16/436855416.db2.gz CFFKZLYYHTWURM-ZBFHGGJFSA-N 1 0 331.416 0.520 50 0 ECAARO COc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CO)cn1 ZINC000257185675 436856749 /nfs/dbraw/zinc/85/67/49/436856749.db2.gz JSSVDUZHSPQGHW-DZGCQCFKSA-N 1 0 335.404 0.292 50 0 ECAARO O=C(NCC[NH+]1CCCCC1)[C@@]1(CCO)CCN(c2ncccn2)C1 ZINC000257189457 436857745 /nfs/dbraw/zinc/85/77/45/436857745.db2.gz IWRDLVNNZAQNLW-GOSISDBHSA-N 1 0 347.463 0.658 50 0 ECAARO CCn1cc(C[N@@H+]2C[C@@H](CO)[C@H](c3nc(COC)no3)C2)c(C)n1 ZINC000257186645 436857982 /nfs/dbraw/zinc/85/79/82/436857982.db2.gz KQONIDKUGGPJNM-UONOGXRCSA-N 1 0 335.408 0.949 50 0 ECAARO C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCN1C[C@@H](O)c1ccccc1 ZINC000252474284 436831953 /nfs/dbraw/zinc/83/19/53/436831953.db2.gz ADZJEZOVBSLDJU-NZSAHSFTSA-N 1 0 344.459 0.984 50 0 ECAARO C[C@H](O)C[N@@H+]1CCN(CC(=O)NCCc2ccsc2)C[C@H]1C ZINC000252475116 436832102 /nfs/dbraw/zinc/83/21/02/436832102.db2.gz SVHHZUVVMXDWBD-KGLIPLIRSA-N 1 0 325.478 0.794 50 0 ECAARO COCCN1CN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC000252492424 436834359 /nfs/dbraw/zinc/83/43/59/436834359.db2.gz MLVOPZYAQNBSSS-ZDUSSCGKSA-N 1 0 326.441 0.565 50 0 ECAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000257366302 436876710 /nfs/dbraw/zinc/87/67/10/436876710.db2.gz QZFIZHZKWMGRDE-BPQIPLTHSA-N 1 0 339.480 0.666 50 0 ECAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000257366304 436877811 /nfs/dbraw/zinc/87/78/11/436877811.db2.gz QZFIZHZKWMGRDE-KBAYOESNSA-N 1 0 339.480 0.666 50 0 ECAARO CC[N@H+](C)[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)C1 ZINC000170606205 436946826 /nfs/dbraw/zinc/94/68/26/436946826.db2.gz GVBASVJMXMBQOH-DZGCQCFKSA-N 1 0 343.431 0.877 50 0 ECAARO Cn1ccnc1[C@@](O)(CCNC(=O)[C@]1(F)CC[NH2+]C1)C(F)(F)F ZINC000299739203 437108730 /nfs/dbraw/zinc/10/87/30/437108730.db2.gz LTCSIFZYXUSISF-RYUDHWBXSA-N 1 0 338.305 0.378 50 0 ECAARO CCCC[N@@H+]1CCn2nc(CNC(=O)Cn3ccccc3=O)cc2C1 ZINC000299764337 437111017 /nfs/dbraw/zinc/11/10/17/437111017.db2.gz RRVLQBNIBZXHSK-UHFFFAOYSA-N 1 0 343.431 0.977 50 0 ECAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCC[C@]4(CNC(=O)O4)C3)nn2)CC1 ZINC000244701073 303489340 /nfs/dbraw/zinc/48/93/40/303489340.db2.gz JZRZLFIROYXZPR-OZVIIMIRSA-N 1 0 348.407 0.435 50 0 ECAARO Cn1cc(-c2cc(CN3CCC[C@H](NS(C)(=O)=O)C3)on2)cn1 ZINC000184993025 437420961 /nfs/dbraw/zinc/42/09/61/437420961.db2.gz ZAUBVYQWERBUBZ-LBPRGKRZSA-N 1 0 339.421 0.589 50 0 ECAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC(N)=O)c(OC)c2)C1 ZINC000269165090 437462617 /nfs/dbraw/zinc/46/26/17/437462617.db2.gz OZQWEFLPMFIVNM-IZPAUZPXSA-N 1 0 347.415 0.783 50 0 ECAARO COc1cc(/C=C/C(=O)N2CC[NH2+][C@H](C)C2)ccc1OCC(N)=O ZINC000269178308 437464147 /nfs/dbraw/zinc/46/41/47/437464147.db2.gz CLAILZLQGSKLFS-FVOPLDGLSA-N 1 0 333.388 0.393 50 0 ECAARO CNS(=O)(=O)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000424056303 437882766 /nfs/dbraw/zinc/88/27/66/437882766.db2.gz GYLAGFGQIWRROS-YHWZYXNKSA-N 1 0 338.433 0.345 50 0 ECAARO O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000426414903 438055767 /nfs/dbraw/zinc/05/57/67/438055767.db2.gz XLOTWUCCFMUAJK-ZIAGYGMSSA-N 1 0 348.382 0.098 50 0 ECAARO COc1ccc(C(=O)N2CCC3(CCC(=O)N3)CC2)cc1OCC[NH3+] ZINC000426503683 438063687 /nfs/dbraw/zinc/06/36/87/438063687.db2.gz TXHXGVDFXWVTFR-UHFFFAOYSA-N 1 0 347.415 0.918 50 0 ECAARO Cn1ccnc1SCCNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426547542 438064194 /nfs/dbraw/zinc/06/41/94/438064194.db2.gz DNRGZYSKSOLSER-ZDUSSCGKSA-N 1 0 348.476 0.992 50 0 ECAARO C[NH+](C)[C@H]1CN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000408517680 438581601 /nfs/dbraw/zinc/58/16/01/438581601.db2.gz MKEPNIQCONYCTD-GJZGRUSLSA-N 1 0 344.415 0.791 50 0 ECAARO CCCCCC[C@](O)(CN1CCO[C@H](C(=O)NC)C1)C(=O)OC ZINC000408524437 438582214 /nfs/dbraw/zinc/58/22/14/438582214.db2.gz UNIDRNMTXXGWIT-BBRMVZONSA-N 1 0 330.425 0.308 50 0 ECAARO CC(C)(C)CN1CCC[C@@H](N2CCN(Cc3nc[nH]n3)CC2)C1=O ZINC000585116482 439633185 /nfs/dbraw/zinc/63/31/85/439633185.db2.gz YHYJCDIKTUYXOO-CQSZACIVSA-N 1 0 334.468 0.959 50 0 ECAARO CNC(=O)c1noc(CNC(=O)N(C)CC[N@@H+]2CCCC[C@H]2C)n1 ZINC000584889439 439625091 /nfs/dbraw/zinc/62/50/91/439625091.db2.gz BLCLTNPHPDHKMD-LLVKDONJSA-N 1 0 338.412 0.445 50 0 ECAARO CC(C)[C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccnc1 ZINC000630095478 440850676 /nfs/dbraw/zinc/85/06/76/440850676.db2.gz YNNYLIKPEFMPSB-GJZGRUSLSA-N 1 0 327.450 0.729 50 0 ECAARO CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)[C@@H](C)n2cc(C)cn2)C1 ZINC000229569482 534576026 /nfs/dbraw/zinc/57/60/26/534576026.db2.gz RDBBWAVBQJRGEX-IIAWOOMASA-N 1 0 335.452 0.858 50 0 ECAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000095509999 521820497 /nfs/dbraw/zinc/82/04/97/521820497.db2.gz LGKKIHZLAIBPNI-OAHLLOKOSA-N 1 0 347.463 0.773 50 0 ECAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000178580077 527843887 /nfs/dbraw/zinc/84/38/87/527843887.db2.gz DIVBUGJSUFKWEY-LSDHHAIUSA-N 1 0 325.453 0.814 50 0 ECAARO C[NH+]1CCN(c2cc(CNC(=O)c3nccnc3N)ccn2)CC1 ZINC000056792744 536419992 /nfs/dbraw/zinc/41/99/92/536419992.db2.gz IEKDFYKECWVQFB-UHFFFAOYSA-N 1 0 327.392 0.136 50 0 ECAARO COCc1nc(C)c(CNC(=O)CN2CC[C@@H]([NH+](C)C)C2)s1 ZINC000219601964 545922355 /nfs/dbraw/zinc/92/23/55/545922355.db2.gz UAORLBUDSYBVJL-GFCCVEGCSA-N 1 0 326.466 0.850 50 0 ECAARO CC1CCC(NS(=O)(=O)CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000236691543 545927746 /nfs/dbraw/zinc/92/77/46/545927746.db2.gz RXPSLMMTAKSPLM-QPPOZKHWSA-N 1 0 331.482 0.823 50 0 ECAARO CN(C)C1=NC2(CC[NH+](C[C@H]3COc4ccccc4O3)CC2)C(=O)N1 ZINC000670438042 548010829 /nfs/dbraw/zinc/01/08/29/548010829.db2.gz QLICIXJQXFBMKI-ZDUSSCGKSA-N 1 0 344.415 0.708 50 0 ECAARO Cc1c[nH+]ccc1NCCNC(=O)c1cnc2cccc(C)n2c1=O ZINC000670442545 548012068 /nfs/dbraw/zinc/01/20/68/548012068.db2.gz IWSOAHFKNGGTND-UHFFFAOYSA-N 1 0 337.383 0.970 50 0 ECAARO CN(C)C(=O)CC[C@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000670454157 548014811 /nfs/dbraw/zinc/01/48/11/548014811.db2.gz WGMSXKKMVMDZOZ-CQSZACIVSA-N 1 0 333.498 0.848 50 0 ECAARO Cc1nc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)nn1-c1ccc(F)cc1 ZINC000673532185 548512219 /nfs/dbraw/zinc/51/22/19/548512219.db2.gz QTHHUNXQEQIHDT-CQSZACIVSA-N 1 0 347.394 0.901 50 0 ECAARO [NH3+][C@H]1COC[C@H]1Oc1cnn(Cc2ncn(-c3ccccc3)n2)c1 ZINC000685941893 549728452 /nfs/dbraw/zinc/72/84/52/549728452.db2.gz CVPHHJLPRZSJPS-LSDHHAIUSA-N 1 0 326.360 0.617 50 0 ECAARO CNC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cn1C ZINC000585086189 586415158 /nfs/dbraw/zinc/41/51/58/586415158.db2.gz AWVLAZSRNCUDEG-JQWIXIFHSA-N 1 0 328.438 0.098 50 0 ECAARO Cc1noc(C)c1C(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1C[NH+](C)C ZINC000169790751 609746967 /nfs/dbraw/zinc/74/69/67/609746967.db2.gz JTPNFHUWVJKUGK-ZIAGYGMSSA-N 1 0 344.419 0.878 50 0 ECAARO CC[NH+]1CCN(CC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000952965836 612138534 /nfs/dbraw/zinc/13/85/34/612138534.db2.gz SAKAJVKIOGAACR-INIZCTEOSA-N 1 0 344.459 0.793 50 0 ECAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000952971122 612139112 /nfs/dbraw/zinc/13/91/12/612139112.db2.gz DEZKZDDZLYFHGF-TZMCWYRMSA-N 1 0 339.823 0.687 50 0 ECAARO CC(C)C[N@@H+]1CCN(C(=O)CN2CCCCC2=O)C[C@@H]1CCO ZINC000952971383 612139221 /nfs/dbraw/zinc/13/92/21/612139221.db2.gz DNXGANNJXYANES-HNNXBMFYSA-N 1 0 325.453 0.550 50 0 ECAARO COc1ccc(-n2cnnc2)cc1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000952970277 612139283 /nfs/dbraw/zinc/13/92/83/612139283.db2.gz SJACKFLAQUIDQG-UHFFFAOYSA-N 1 0 344.419 0.852 50 0 ECAARO C[NH+](C)CC1(O)CCN(C(=O)c2ccccc2-n2cnnc2)CC1 ZINC000952979742 612139809 /nfs/dbraw/zinc/13/98/09/612139809.db2.gz VKVQMSBBLXKGQC-UHFFFAOYSA-N 1 0 329.404 0.796 50 0 ECAARO COCCN1C(=O)CN(C2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000952987245 612140211 /nfs/dbraw/zinc/14/02/11/612140211.db2.gz UIZKAJFQMZNELB-UHFFFAOYSA-N 1 0 332.404 0.957 50 0 ECAARO OC[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1CN1CCOCC1 ZINC000091626377 612910549 /nfs/dbraw/zinc/91/05/49/612910549.db2.gz KFGZJVRLJBKBNU-VXGBXAGGSA-N 1 0 346.353 0.872 50 0 ECAARO O=C(N[C@@H]1CC[C@@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1)c1ncccc1O ZINC000585079776 752394259 /nfs/dbraw/zinc/39/42/59/752394259.db2.gz HNXUXBSKTLDPPL-MCIONIFRSA-N 1 0 344.415 0.745 50 0 ECAARO O=C(CC[NH+]1CCN(CCO)CC1)NCc1ccccc1Cl ZINC000054424032 214237169 /nfs/dbraw/zinc/23/71/69/214237169.db2.gz LLRFUHHVPAZCMN-UHFFFAOYSA-N 1 0 325.840 0.956 50 0 ECAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000055175496 214282708 /nfs/dbraw/zinc/28/27/08/214282708.db2.gz CONHSTHWOZSSRF-LLVKDONJSA-N 1 0 339.417 0.780 50 0 ECAARO NS(=O)(=O)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000066921543 215094935 /nfs/dbraw/zinc/09/49/35/215094935.db2.gz CBQHBLMDZPHFSS-CQSZACIVSA-N 1 0 325.434 0.446 50 0 ECAARO CC(C)[C@H](NC(=O)c1ccc(=O)[nH]n1)c1nnc2n1CC[NH2+]CC2 ZINC000067654550 215175021 /nfs/dbraw/zinc/17/50/21/215175021.db2.gz BRKKMCNLEPDTHG-ZDUSSCGKSA-N 1 0 331.380 0.047 50 0 ECAARO CCn1c(=O)n(CC(=O)Nc2ccc(C)cn2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067642222 215172866 /nfs/dbraw/zinc/17/28/66/215172866.db2.gz QELMDKNFLMZIDY-CYBMUJFWSA-N 1 0 344.419 0.874 50 0 ECAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3CCN(C)C3=O)cnn2c1 ZINC000067696247 215189592 /nfs/dbraw/zinc/18/95/92/215189592.db2.gz WZGRGGJZGNCTFT-CQSZACIVSA-N 1 0 344.419 0.532 50 0 ECAARO CCn1c(=O)n(Cc2nc(CCOC)no2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067755657 215202901 /nfs/dbraw/zinc/20/29/01/215202901.db2.gz VABVEBFQGSVSOH-LLVKDONJSA-N 1 0 336.396 0.152 50 0 ECAARO Cc1nc(C2CC2)ncc1C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000067725843 215196554 /nfs/dbraw/zinc/19/65/54/215196554.db2.gz JQLMRCAZZYGJCT-JSGCOSHPSA-N 1 0 331.420 0.729 50 0 ECAARO COCCn1cncc1CNc1nc(N(C)C)nc2c1CC[NH2+]C2 ZINC000067883531 215241058 /nfs/dbraw/zinc/24/10/58/215241058.db2.gz RNXATJAXNZOWNY-UHFFFAOYSA-N 1 0 331.424 0.643 50 0 ECAARO Cn1c(NC[C@H](c2ccco2)[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000068658535 215324082 /nfs/dbraw/zinc/32/40/82/215324082.db2.gz ZJXAPZIRVNHLKL-SECBINFHSA-N 1 0 332.364 0.268 50 0 ECAARO Cc1cnn(C[C@H](C)[NH2+]CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000069567446 215477580 /nfs/dbraw/zinc/47/75/80/215477580.db2.gz LLFINLNDVVYBMX-ZDUSSCGKSA-N 1 0 338.433 0.896 50 0 ECAARO Cn1c(CCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)nc2cccnc21 ZINC000072132071 216021357 /nfs/dbraw/zinc/02/13/57/216021357.db2.gz MFGGDEWNVCGNEG-GOSISDBHSA-N 1 0 345.447 0.816 50 0 ECAARO Cc1[nH]c(=O)[nH]c(=O)c1-c1cc(NCC[NH+](C)C)nc2[nH]ccc21 ZINC000072148509 216035346 /nfs/dbraw/zinc/03/53/46/216035346.db2.gz HZJNWEVBTFCKJX-UHFFFAOYSA-N 1 0 328.376 0.888 50 0 ECAARO 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Cc1nnc(CN(C)[C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)n1C ZINC000095402236 436493483 /nfs/dbraw/zinc/49/34/83/436493483.db2.gz HKZQBNXPQFADNA-MRXNPFEDSA-N 1 0 342.447 0.929 50 0 ECAARO O=c1cc(N2CC[NH2+]CC2)cnn1Cc1noc(C2CCCC2)n1 ZINC000095521322 436497342 /nfs/dbraw/zinc/49/73/42/436497342.db2.gz ZSEFLVYTNZNJOR-UHFFFAOYSA-N 1 0 330.392 0.742 50 0 ECAARO c1nc(SCC[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)n[nH]1 ZINC000095515409 436497705 /nfs/dbraw/zinc/49/77/05/436497705.db2.gz XTMBNNNXEALWQU-UHFFFAOYSA-N 1 0 345.436 0.822 50 0 ECAARO CCn1cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](CC)CC2)cn1 ZINC000097166150 436540331 /nfs/dbraw/zinc/54/03/31/436540331.db2.gz YGEPRJMVUCRVLN-ZDUSSCGKSA-N 1 0 329.470 0.207 50 0 ECAARO CNC(=O)COc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000058341611 436624135 /nfs/dbraw/zinc/62/41/35/436624135.db2.gz BNFMGVQBGQWCQF-AWEZNQCLSA-N 1 0 329.404 0.839 50 0 ECAARO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000058307202 436624312 /nfs/dbraw/zinc/62/43/12/436624312.db2.gz CFRAKEOUMSZBLF-OAHLLOKOSA-N 1 0 339.461 0.693 50 0 ECAARO CCN(CC)[C@H](C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1 ZINC000058060439 436619945 /nfs/dbraw/zinc/61/99/45/436619945.db2.gz LFRMWQXKCRCXMD-OAGGEKHMSA-N 1 0 326.462 0.817 50 0 ECAARO O=C(Cn1nnc2ccccc2c1=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060568081 436633874 /nfs/dbraw/zinc/63/38/74/436633874.db2.gz KMCLTSUOBJRTCF-GJZGRUSLSA-N 1 0 327.388 0.535 50 0 ECAARO Cc1cc(N2CCN(S(C)(=O)=O)CC2)nc(N2CCCC2)[nH+]1 ZINC000065364227 436655073 /nfs/dbraw/zinc/65/50/73/436655073.db2.gz JDDIRCRTJDQOQD-UHFFFAOYSA-N 1 0 325.438 0.467 50 0 ECAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(-n3cnnn3)cc1O)CC2 ZINC000065387030 436657743 /nfs/dbraw/zinc/65/77/43/436657743.db2.gz VMACLXUFMLTKGN-UHFFFAOYSA-N 1 0 342.403 0.926 50 0 ECAARO COc1ccc(OC)c(S(=O)(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)c1 ZINC000065397257 436658563 /nfs/dbraw/zinc/65/85/63/436658563.db2.gz SIUZERWLLQYXKT-NEPJUHHUSA-N 1 0 344.433 0.389 50 0 ECAARO 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C[C@@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C[C@@H](C)[NH2+]1 ZINC000153685498 436761327 /nfs/dbraw/zinc/76/13/27/436761327.db2.gz PMKQEXGYAORYKT-VXGBXAGGSA-N 1 0 327.388 0.794 50 0 ECAARO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 ZINC000229311028 436715411 /nfs/dbraw/zinc/71/54/11/436715411.db2.gz QIQVNGYKTDDWFI-RISCZKNCSA-N 1 0 325.434 0.712 50 0 ECAARO CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C2 ZINC000067642669 436718285 /nfs/dbraw/zinc/71/82/85/436718285.db2.gz LAZNKCSQAHLMEH-LBPRGKRZSA-N 1 0 336.436 0.505 50 0 ECAARO CC[NH+]1CCC(NC(=O)CN2CCO[C@@H](Cn3cc(C)cn3)C2)CC1 ZINC000069454153 436774927 /nfs/dbraw/zinc/77/49/27/436774927.db2.gz QMUBPGHVXVBWRI-QGZVFWFLSA-N 1 0 349.479 0.493 50 0 ECAARO CCOc1cc(C[NH2+][C@H]2CCc3ncnn3C2)ccc1OCC(N)=O ZINC000069559628 436781545 /nfs/dbraw/zinc/78/15/45/436781545.db2.gz UEIZZPCYIZNCDK-ZDUSSCGKSA-N 1 0 345.403 0.646 50 0 ECAARO Cc1ccc(N2CCC[N@H+](C[C@@H](O)CN3CCCC3=O)CC2)nn1 ZINC000247501332 436794407 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CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1cnn(CCOC)c1 ZINC000084736403 545713693 /nfs/dbraw/zinc/71/36/93/545713693.db2.gz ZSIBIVZDHVBYCY-GJZGRUSLSA-N 1 0 344.481 0.679 50 0 ECAARO Cc1nc(C)n(CCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)n1 ZINC000244594067 545934798 /nfs/dbraw/zinc/93/47/98/545934798.db2.gz DFTHIQAWFRQPDZ-BETUJISGSA-N 1 0 332.412 0.359 50 0 ECAARO O=C(c1ccc(-n2cnnc2)cc1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000670472359 548018241 /nfs/dbraw/zinc/01/82/41/548018241.db2.gz ROWRTCJYGSKJNP-IRXDYDNUSA-N 1 0 341.415 0.939 50 0 ECAARO NC(=O)NC1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000679646407 549113307 /nfs/dbraw/zinc/11/33/07/549113307.db2.gz MDVRXMZBPCARJA-UHFFFAOYSA-N 1 0 338.452 0.538 50 0 ECAARO COc1ccc(/C=C\C(=O)N[C@H]2CCC[NH2+]C2)cc1S(N)(=O)=O ZINC000888096593 586349648 /nfs/dbraw/zinc/34/96/48/586349648.db2.gz BXOQWSDRJUEFET-HWPRWLFBSA-N 1 0 339.417 0.224 50 0 ECAARO CN1CCN(C(=O)C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)CC1 ZINC000244716318 608842285 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Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CC[NH2+]CC4)c3CO2)cc1 ZINC000098212973 219087510 /nfs/dbraw/zinc/08/75/10/219087510.db2.gz SUORXYFKLKOSAA-HNNXBMFYSA-N 1 0 327.388 0.903 50 0 ECAARO CNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000102616652 219214571 /nfs/dbraw/zinc/21/45/71/219214571.db2.gz PULOJVSKTNKEJW-INIZCTEOSA-N 1 0 343.427 0.815 50 0 ECAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnc(-c2ccccn2)nc1 ZINC000067588706 215166129 /nfs/dbraw/zinc/16/61/29/215166129.db2.gz YJKXRWREMPHNKR-HOCLYGCPSA-N 1 0 340.431 0.965 50 0 ECAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CCO)C2=O)c1 ZINC000067688913 215185653 /nfs/dbraw/zinc/18/56/53/215185653.db2.gz UTEUGAVFCMVWHS-MRXNPFEDSA-N 1 0 326.368 0.270 50 0 ECAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCn1cc(Cl)cn1 ZINC000067770226 215207345 /nfs/dbraw/zinc/20/73/45/215207345.db2.gz FLKAASALYSGUMX-RYUDHWBXSA-N 1 0 327.816 0.379 50 0 ECAARO CCN1CCN(Cc2cc(C(=O)NC[C@]3(C)CC[N@H+](C)C3)no2)CC1 ZINC000067817251 215219695 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CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)C[NH2+]C)CC1 ZINC000092078649 218117239 /nfs/dbraw/zinc/11/72/39/218117239.db2.gz XWQOBMRBTHEEGP-UHFFFAOYSA-N 1 0 331.424 0.468 50 0 ECAARO O=c1[nH]n(CCn2cc([C@H]3CCC[NH2+]C3)nn2)c(=O)c2ccccc12 ZINC000095366734 218299050 /nfs/dbraw/zinc/29/90/50/218299050.db2.gz MGYDUKGWXIUMII-LBPRGKRZSA-N 1 0 340.387 0.861 50 0 ECAARO CNc1ccnc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)n1 ZINC000095373230 218304909 /nfs/dbraw/zinc/30/49/09/218304909.db2.gz QTQOGWFJJWRGFL-HUUCEWRRSA-N 1 0 335.452 0.267 50 0 ECAARO c1c[nH]c(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000112505881 220339935 /nfs/dbraw/zinc/33/99/35/220339935.db2.gz LNTMXDIHRZGTBR-AWEZNQCLSA-N 1 0 343.435 0.795 50 0 ECAARO O=C(CC[NH+]1CCCC1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O ZINC000426555477 254788114 /nfs/dbraw/zinc/78/81/14/254788114.db2.gz JDBIUVDSTJVECN-IAGOWNOFSA-N 1 0 345.443 0.864 50 0 ECAARO C[C@]1(c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2)NC(=O)NC1=O ZINC000269169233 255539209 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Cn1nnc(-c2ccc(C(=O)N3CCOC[C@H](C[NH+](C)C)C3)cc2)n1 ZINC000299759211 258076613 /nfs/dbraw/zinc/07/66/13/258076613.db2.gz BWOVPWPBEFMEHW-CYBMUJFWSA-N 1 0 344.419 0.527 50 0 ECAARO Cc1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000020454141 135720680 /nfs/dbraw/zinc/72/06/80/135720680.db2.gz YPAXYQTWCGGKPD-UHFFFAOYSA-N 1 0 341.415 0.760 50 0 ECAARO NC(=O)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000248768438 165185594 /nfs/dbraw/zinc/18/55/94/165185594.db2.gz SDXCQFMXYPZBJQ-HZPDHXFCSA-N 1 0 346.431 0.404 50 0 ECAARO CCS(=O)(=O)N1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237040335 263172674 /nfs/dbraw/zinc/17/26/74/263172674.db2.gz DSCPBGOMVXWMLW-AGUYFDCRSA-N 1 0 329.466 0.401 50 0 ECAARO CCn1c2c(C(=O)Nc3cccnc3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966176 273779284 /nfs/dbraw/zinc/77/92/84/273779284.db2.gz SOPGCERIKDUWLO-UHFFFAOYSA-N 1 0 338.371 0.809 50 0 ECAARO CNC(=O)NC(=O)[C@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065624429 277004488 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CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc21 ZINC000005252387 210425649 /nfs/dbraw/zinc/42/56/49/210425649.db2.gz RQGWSWADYUDRGX-UHFFFAOYSA-N 1 0 346.431 0.992 50 0 ECAARO C[C@H]1CCCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)[C@@H]1C[NH3+] ZINC000429196286 210305105 /nfs/dbraw/zinc/30/51/05/210305105.db2.gz JOFPVHSLIKFYCS-SWLSCSKDSA-N 1 0 344.415 0.938 50 0 ECAARO NC(=O)COc1cccc(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000097547495 219034590 /nfs/dbraw/zinc/03/45/90/219034590.db2.gz ZNEQDNFXIHWCSK-IRXDYDNUSA-N 1 0 333.432 0.582 50 0 ECAARO Cc1nc2cc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2[nH]1 ZINC000097600984 219039350 /nfs/dbraw/zinc/03/93/50/219039350.db2.gz CSIYFHKQPKNGQP-CYBMUJFWSA-N 1 0 329.404 0.798 50 0 ECAARO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000237437103 257945358 /nfs/dbraw/zinc/94/53/58/257945358.db2.gz IOQXGOHACTVJHM-GHMZBOCLSA-N 1 0 332.447 0.590 50 0 ECAARO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1F ZINC000237345522 257945733 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Cc1n[nH]c(C)c1CC(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000299756253 258074612 /nfs/dbraw/zinc/07/46/12/258074612.db2.gz FLPSMDOXYRUISH-KRWDZBQOSA-N 1 0 331.464 0.807 50 0 ECAARO CN1CCN(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)C1=O ZINC000299758355 258076149 /nfs/dbraw/zinc/07/61/49/258076149.db2.gz LYFGKGPOKWYGRV-UHFFFAOYSA-N 1 0 331.420 0.530 50 0 ECAARO COc1c(C)cccc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091845902 286181476 /nfs/dbraw/zinc/18/14/76/286181476.db2.gz VPHAPESGZCJTJT-HUUCEWRRSA-N 1 0 336.432 0.608 50 0 ECAARO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261646870 165220336 /nfs/dbraw/zinc/22/03/36/165220336.db2.gz JATAZRHGTVZRED-KRWDZBQOSA-N 1 0 346.475 0.740 50 0 ECAARO C[C@@H]1CN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CC[NH2+]1 ZINC000188387460 263161745 /nfs/dbraw/zinc/16/17/45/263161745.db2.gz ZYIRMYLLVORMFC-LLVKDONJSA-N 1 0 328.372 0.491 50 0 ECAARO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1 ZINC000285727787 264336656 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O=S(=O)(CC[N@H+]1CCC[C@@H](OCCO)C1)Oc1ccccc1 ZINC000070018900 435984051 /nfs/dbraw/zinc/98/40/51/435984051.db2.gz SHQSHMOKVXBCKO-OAHLLOKOSA-N 1 0 329.418 0.869 50 0 ECAARO CC[NH+](CC)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000070710046 435989225 /nfs/dbraw/zinc/98/92/25/435989225.db2.gz WQQVNWINFVURSN-ZDUSSCGKSA-N 1 0 327.450 0.811 50 0 ECAARO O=C(C[NH2+][C@H]1CCc2ncnn2C1)NCCOc1cccc(F)c1 ZINC000069626608 435953931 /nfs/dbraw/zinc/95/39/31/435953931.db2.gz YVLHUWSBGIXUIA-ZDUSSCGKSA-N 1 0 333.367 0.517 50 0 ECAARO C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000071799460 436014505 /nfs/dbraw/zinc/01/45/05/436014505.db2.gz YCFPUKRYCGELNG-CABCVRRESA-N 1 0 338.452 0.504 50 0 ECAARO O=C(Cn1nnc2ccccc2c1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839928 436018397 /nfs/dbraw/zinc/01/83/97/436018397.db2.gz QKGDZGOMWHUREJ-CYBMUJFWSA-N 1 0 327.388 0.488 50 0 ECAARO CC(C)c1nnc2n1C[C@@H](C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)CC2 ZINC000071871896 436021269 /nfs/dbraw/zinc/02/12/69/436021269.db2.gz 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50 0 ECAARO Cn1c2ccc(C[NH2+][C@H]3COC[C@H]3Oc3cn[nH]c3)cc2oc1=O ZINC000685940477 549727290 /nfs/dbraw/zinc/72/72/90/549727290.db2.gz BOYMGXIJBRHZMG-SWLSCSKDSA-N 1 0 330.344 0.791 50 0 ECAARO Cn1cnc([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)C[C@H]2[NH3+])c1 ZINC000685941817 549728057 /nfs/dbraw/zinc/72/80/57/549728057.db2.gz CDNDXQGVFHIDHJ-HUUCEWRRSA-N 1 0 326.400 0.851 50 0 ECAARO C[NH+](C)C[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)CCC1CCCC1 ZINC000169781295 609745688 /nfs/dbraw/zinc/74/56/88/609745688.db2.gz TUIXQVBHBZTNKZ-HUUCEWRRSA-N 1 0 345.509 0.895 50 0 ECAARO CCS(=O)(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000169790701 609746828 /nfs/dbraw/zinc/74/68/28/609746828.db2.gz DNQIQVRCHVBFDD-HZPDHXFCSA-N 1 0 325.478 0.988 50 0 ECAARO C[NH+](C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)C1CCOCC1 ZINC000169790991 609747367 /nfs/dbraw/zinc/74/73/67/609747367.db2.gz VIZBXPOMNPXVJI-HUUCEWRRSA-N 1 0 333.436 0.386 50 0 ECAARO CC[NH+]1CCN(CC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000952965838 612138771 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CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(=O)n(C)c(=O)n1C ZINC000056650018 214382469 /nfs/dbraw/zinc/38/24/69/214382469.db2.gz HIGFNIRJCZPFPO-UHFFFAOYSA-N 1 0 331.372 0.835 50 0 ECAARO CC(C)[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1nnc2n1CC[NH2+]CC2 ZINC000067654551 215175916 /nfs/dbraw/zinc/17/59/16/215175916.db2.gz BRKKMCNLEPDTHG-CYBMUJFWSA-N 1 0 331.380 0.047 50 0 ECAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)COc1ccc(C(C)=O)cc1 ZINC000067723325 215194935 /nfs/dbraw/zinc/19/49/35/215194935.db2.gz RQLXRTZXAONSIF-HIFRSBDPSA-N 1 0 333.388 0.332 50 0 ECAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000067691554 215186579 /nfs/dbraw/zinc/18/65/79/215186579.db2.gz VSKYLHJQDXMHMF-RISCZKNCSA-N 1 0 328.376 0.150 50 0 ECAARO C[N@@H+]1CCN2C[C@@H](NC(=O)c3ccc(Cn4ccnc4)o3)C[C@H]2C1 ZINC000067755001 215202585 /nfs/dbraw/zinc/20/25/85/215202585.db2.gz OJRUNYVSVPBWDN-KBPBESRZSA-N 1 0 329.404 0.643 50 0 ECAARO CN(CC[NH+](C)C)S(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2 ZINC000067787827 215211960 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O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040267286 213286103 /nfs/dbraw/zinc/28/61/03/213286103.db2.gz FWYFHDYPQBVJHF-UHFFFAOYSA-N 1 0 345.325 0.060 50 0 ECAARO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N1CCNC(=O)CC1 ZINC000182894412 234805218 /nfs/dbraw/zinc/80/52/18/234805218.db2.gz CUKXZIVGMAMNFR-MRXNPFEDSA-N 1 0 346.431 0.285 50 0 ECAARO [NH3+]CCNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000237993415 283439635 /nfs/dbraw/zinc/43/96/35/283439635.db2.gz VXLWBYIYLNRHNV-UHFFFAOYSA-N 1 0 348.222 0.571 50 0 ECAARO C[C@@H](CCNC(=O)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC000072117825 216012691 /nfs/dbraw/zinc/01/26/91/216012691.db2.gz UGKDFHDVENEWNP-ZDUSSCGKSA-N 1 0 331.482 0.649 50 0 ECAARO Cc1cccnc1NCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(C)C ZINC000072144930 216030841 /nfs/dbraw/zinc/03/08/41/216030841.db2.gz MTUCYEXONFJDJP-OAHLLOKOSA-N 1 0 347.463 0.765 50 0 ECAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000072144943 216030903 /nfs/dbraw/zinc/03/09/03/216030903.db2.gz 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C[NH+](C)CCN1C[C@]2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O ZINC000072410636 216203135 /nfs/dbraw/zinc/20/31/35/216203135.db2.gz USQNWLVVUGWCNB-KRWDZBQOSA-N 1 0 349.435 0.109 50 0 ECAARO O=C([C@@H]1C[NH2+]CCO1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000072454448 216241668 /nfs/dbraw/zinc/24/16/68/216241668.db2.gz KSIFJEOZCNKLHC-HNNXBMFYSA-N 1 0 330.388 0.482 50 0 ECAARO Cc1nn(CCO)c(C)c1NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072463193 216245436 /nfs/dbraw/zinc/24/54/36/216245436.db2.gz BZSXOVLJKNMXJN-UHFFFAOYSA-N 1 0 332.408 0.363 50 0 ECAARO Cc1cc(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)on1 ZINC000072476881 216254809 /nfs/dbraw/zinc/25/48/09/216254809.db2.gz JMBPMMLXZJFLQI-DZGCQCFKSA-N 1 0 334.420 0.714 50 0 ECAARO CC(C)[C@@H](CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[NH+](C)C ZINC000022754445 212320700 /nfs/dbraw/zinc/32/07/00/212320700.db2.gz QDBDDVNZASQMTM-CQSZACIVSA-N 1 0 332.404 0.805 50 0 ECAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ncccn2n1 ZINC000215916416 241153990 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254786871 /nfs/dbraw/zinc/78/68/71/254786871.db2.gz KDMVQALZCKBERZ-VXGBXAGGSA-N 1 0 326.780 0.493 50 0 ECAARO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3S(C)(=O)=O)c2)CC[NH2+]1 ZINC000299738622 258010259 /nfs/dbraw/zinc/01/02/59/258010259.db2.gz CYHCQAQTFSVTKW-GFCCVEGCSA-N 1 0 348.428 0.710 50 0 ECAARO COc1cccc(C(=O)N2CCS(=O)(=O)CC2)c1OCCC[NH3+] ZINC000299776445 258086476 /nfs/dbraw/zinc/08/64/76/258086476.db2.gz BPGVBRRFVGRURK-UHFFFAOYSA-N 1 0 342.417 0.293 50 0 ECAARO O=C(c1cn(-c2ccccc2)nn1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000299791771 258097581 /nfs/dbraw/zinc/09/75/81/258097581.db2.gz HWEWYDGRYCDLTI-IRXDYDNUSA-N 1 0 341.415 0.939 50 0 ECAARO Cc1nc(SCC(=O)NCCCOC2CC[NH+](C)CC2)n[nH]1 ZINC000299765660 258081011 /nfs/dbraw/zinc/08/10/11/258081011.db2.gz BMANBJRXVYHSGN-UHFFFAOYSA-N 1 0 327.454 0.822 50 0 ECAARO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000190367803 165020747 /nfs/dbraw/zinc/02/07/47/165020747.db2.gz GXQIZKSQFREMBV-OAHLLOKOSA-N 1 0 344.481 0.646 50 0 ECAARO 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ECAARO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)n1C ZINC000067673794 215179534 /nfs/dbraw/zinc/17/95/34/215179534.db2.gz ZAEAERNSERMXAN-HNNXBMFYSA-N 1 0 341.433 0.576 50 0 ECAARO [NH3+]C[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)CCO1 ZINC000067787197 215212574 /nfs/dbraw/zinc/21/25/74/215212574.db2.gz PBJLILDOXDJHGT-HNNXBMFYSA-N 1 0 335.429 0.885 50 0 ECAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000067821984 215222988 /nfs/dbraw/zinc/22/29/88/215222988.db2.gz WQELYMZVBVZRAH-WFASDCNBSA-N 1 0 330.388 0.184 50 0 ECAARO Nc1nnnn1CC(=O)NC[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000067849924 215229444 /nfs/dbraw/zinc/22/94/44/215229444.db2.gz GHCQVHQIFDJNIC-ZDUSSCGKSA-N 1 0 335.456 0.806 50 0 ECAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1c[nH]c(=O)[nH]c1=O ZINC000067852073 215231734 /nfs/dbraw/zinc/23/17/34/215231734.db2.gz BPLLSYNOIINZAQ-LLVKDONJSA-N 1 0 332.360 0.298 50 0 ECAARO Cc1cc(C)n2nc(C(=O)N3C[C@H]([NH3+])C[C@H]3C(=O)NC(C)C)cc2n1 ZINC000067856102 215232679 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CC[C@@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)[NH+]1CCCC1 ZINC000032659965 212824259 /nfs/dbraw/zinc/82/42/59/212824259.db2.gz BISFBSKQJQUMHK-LBPRGKRZSA-N 1 0 342.465 0.537 50 0 ECAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)[C@H]1O ZINC000072121687 216014724 /nfs/dbraw/zinc/01/47/24/216014724.db2.gz ZUVNHHNAFYOBPD-CVEARBPZSA-N 1 0 340.383 0.731 50 0 ECAARO Cc1nn2c(nc(C)cc2C)c1C(=O)NC[C@@]1(O)CCC[NH2+]CC1 ZINC000072151782 216039109 /nfs/dbraw/zinc/03/91/09/216039109.db2.gz JOYWIPNJKQBAQM-QGZVFWFLSA-N 1 0 331.420 0.889 50 0 ECAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)Cn3cncn3)CC2)[C@H]1O ZINC000072161633 216050579 /nfs/dbraw/zinc/05/05/79/216050579.db2.gz HJUZBIGDEPVVJJ-CVEARBPZSA-N 1 0 327.388 0.213 50 0 ECAARO O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072153260 216042619 /nfs/dbraw/zinc/04/26/19/216042619.db2.gz JHNKSNFCTMBRSI-KRWDZBQOSA-N 1 0 343.387 0.303 50 0 ECAARO Cc1cc(=O)n(CC(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)nc1C ZINC000072157760 216047084 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C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccnc(N)c3)CC[C@H]21 ZINC000072418219 216206278 /nfs/dbraw/zinc/20/62/78/216206278.db2.gz WURSQMCGJUYJSI-UONOGXRCSA-N 1 0 331.420 0.336 50 0 ECAARO Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)ccc1=O ZINC000072435765 216231138 /nfs/dbraw/zinc/23/11/38/216231138.db2.gz PVPIBCHSDHYBJE-DZGCQCFKSA-N 1 0 346.431 0.187 50 0 ECAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)CCc3cnccn3)CC[C@H]21 ZINC000072438362 216231924 /nfs/dbraw/zinc/23/19/24/216231924.db2.gz HRSBBKRZIWXGGU-GOEBONIOSA-N 1 0 345.447 0.598 50 0 ECAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000237401756 296024283 /nfs/dbraw/zinc/02/42/83/296024283.db2.gz FNZXQSWHZBPXCM-RISCZKNCSA-N 1 0 346.474 0.981 50 0 ECAARO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CC[C@H]21 ZINC000072474280 216251967 /nfs/dbraw/zinc/25/19/67/216251967.db2.gz QHKYUKGCGMTYFF-SWLSCSKDSA-N 1 0 342.403 0.370 50 0 ECAARO Cc1ccccc1C[NH+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000022357559 212292816 /nfs/dbraw/zinc/29/28/16/212292816.db2.gz HPBRNRUAKMNBQP-UHFFFAOYSA-N 1 0 342.443 0.710 50 0 ECAARO COc1ccc(OC)c(S(=O)(=O)N[C@H]2[C@@H]3OCC[C@@H]3[C@@H]2[NH3+])c1 ZINC000220397464 241440933 /nfs/dbraw/zinc/44/09/33/241440933.db2.gz LHBYFIMHSHRBGF-GJQVQUKXSA-N 1 0 328.390 0.097 50 0 ECAARO COC(=O)c1cnn(-c2ccc(C(=O)NCC[NH+](C)C)cc2)c1N ZINC000021652258 212237457 /nfs/dbraw/zinc/23/74/57/212237457.db2.gz QXQGCTRRUPSBJX-UHFFFAOYSA-N 1 0 331.376 0.533 50 0 ECAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)c1cc(-n2cnnn2)[nH]n1 ZINC000244794946 243086660 /nfs/dbraw/zinc/08/66/60/243086660.db2.gz QWXMQZGTZFKKSI-UHFFFAOYSA-N 1 0 344.423 0.914 50 0 ECAARO CCCCN1CCN(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2CC)CC1=O ZINC000244872840 243087244 /nfs/dbraw/zinc/08/72/44/243087244.db2.gz WFHZFOCXPDIQHP-OKILXGFUSA-N 1 0 334.468 0.947 50 0 ECAARO CN1CC[NH+](C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000020166699 212108176 /nfs/dbraw/zinc/10/81/76/212108176.db2.gz BMAOTJORQPZZHQ-SFHVURJKSA-N 1 0 335.423 0.927 50 0 ECAARO CCn1ccc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)cc1=O ZINC000077299033 216866638 /nfs/dbraw/zinc/86/66/38/216866638.db2.gz CIHAMWJESIAHQF-SFHVURJKSA-N 1 0 349.431 0.168 50 0 ECAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000262762731 245166650 /nfs/dbraw/zinc/16/66/50/245166650.db2.gz REUAXWKPWXFMDH-FZMZJTMJSA-N 1 0 325.434 0.817 50 0 ECAARO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000078680177 217101641 /nfs/dbraw/zinc/10/16/41/217101641.db2.gz WCBFRXDRKCQJLI-ZIAGYGMSSA-N 1 0 331.482 0.791 50 0 ECAARO COc1ccccc1CC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCC[NH3+] ZINC000091468988 218010896 /nfs/dbraw/zinc/01/08/96/218010896.db2.gz CEDLTZLUBQXNNP-SJORKVTESA-N 1 0 348.443 0.955 50 0 ECAARO COCC(C)(C)C(=O)N1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091620170 218032259 /nfs/dbraw/zinc/03/22/59/218032259.db2.gz YDBXVALLSAUUJK-QKPAOTATSA-N 1 0 342.480 0.835 50 0 ECAARO C[C@H](CN1CCOCC1)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000091579077 218024409 /nfs/dbraw/zinc/02/44/09/218024409.db2.gz VPYQAOXXFZTLCI-OAHLLOKOSA-N 1 0 332.448 0.628 50 0 ECAARO CCCc1ncncc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091645006 218039062 /nfs/dbraw/zinc/03/90/62/218039062.db2.gz KGBXMGZMVDWJAN-SFHVURJKSA-N 1 0 345.447 0.856 50 0 ECAARO O=C([C@H]1C[NH2+]C[C@H](C(=O)N2CCOCC2)C1)N1Cc2ccccc2C1 ZINC000091650787 218039797 /nfs/dbraw/zinc/03/97/97/218039797.db2.gz GHXWVAOCPOYXOL-IAGOWNOFSA-N 1 0 343.427 0.613 50 0 ECAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC000091906910 218086731 /nfs/dbraw/zinc/08/67/31/218086731.db2.gz QGGJUDZHGOGPOY-KGLIPLIRSA-N 1 0 349.431 0.183 50 0 ECAARO NC(=O)COc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000009318927 211068314 /nfs/dbraw/zinc/06/83/14/211068314.db2.gz QXKAZOXRFAZADQ-HNNXBMFYSA-N 1 0 336.355 0.997 50 0 ECAARO CC[C@H](CO)[NH2+]C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000007063747 210756096 /nfs/dbraw/zinc/75/60/96/210756096.db2.gz RNZXXTGLKBHAGK-OLZOCXBDSA-N 1 0 327.377 0.582 50 0 ECAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)C1 ZINC000172212707 533026327 /nfs/dbraw/zinc/02/63/27/533026327.db2.gz NRSMHLQGUMGDLM-AWEZNQCLSA-N 1 0 337.445 0.968 50 0 ECAARO C[NH+](C)CCNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004850572 210299298 /nfs/dbraw/zinc/29/92/98/210299298.db2.gz VCYBOTDBKCUYIG-UHFFFAOYSA-N 1 0 330.388 0.138 50 0 ECAARO Cc1cc(C)n(C)c(=O)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097480119 219029781 /nfs/dbraw/zinc/02/97/81/219029781.db2.gz HUVFJQSWVZOCEH-CQSZACIVSA-N 1 0 348.447 0.319 50 0 ECAARO COCC(=O)N1CCC2(CC1)CC[N@@H+](C1CCOCC1)C[C@@H]2CO ZINC000097568965 219035401 /nfs/dbraw/zinc/03/54/01/219035401.db2.gz MKNWGMGBXISDFD-OAHLLOKOSA-N 1 0 340.464 0.735 50 0 ECAARO NC(=O)COc1cccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 ZINC000299760424 258077365 /nfs/dbraw/zinc/07/73/65/258077365.db2.gz HDLLGEIADVSJSW-HOTGVXAUSA-N 1 0 343.387 0.488 50 0 ECAARO Cc1ccc(C(=O)NCCC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000299762299 258079066 /nfs/dbraw/zinc/07/90/66/258079066.db2.gz SZVYNTRSTSYUAN-MRXNPFEDSA-N 1 0 347.459 0.935 50 0 ECAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1nc2ccccc2[nH]c1=O ZINC000299766924 258081757 /nfs/dbraw/zinc/08/17/57/258081757.db2.gz DIUHOSDCECQHOH-GFCCVEGCSA-N 1 0 330.388 0.770 50 0 ECAARO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000190367829 165021082 /nfs/dbraw/zinc/02/10/82/165021082.db2.gz GXQIZKSQFREMBV-HNNXBMFYSA-N 1 0 344.481 0.646 50 0 ECAARO O=C(N1CCC[C@@H](N2CCNCC2=O)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262420100 263177075 /nfs/dbraw/zinc/17/70/75/263177075.db2.gz RRJDWSAGFPZKDZ-HDMKZQKVSA-N 1 0 334.464 0.189 50 0 ECAARO C[C@H](c1nnnn1C)N(C)C[C@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000253421641 279623757 /nfs/dbraw/zinc/62/37/57/279623757.db2.gz ZTVNYNHDNQMDIW-PBHICJAKSA-N 1 0 344.463 0.665 50 0 ECAARO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000238027532 295268565 /nfs/dbraw/zinc/26/85/65/295268565.db2.gz IJBKZDCGZMYAGP-IUODEOHRSA-N 1 0 337.445 0.768 50 0 ECAARO COC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(C)cc1 ZINC000001639578 435961489 /nfs/dbraw/zinc/96/14/89/435961489.db2.gz FKMJXALNHKIDOD-LBPRGKRZSA-N 1 0 342.421 0.078 50 0 in-vitro ECAARO COc1ccc(COC[C@@H](O)C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069740505 435963375 /nfs/dbraw/zinc/96/33/75/435963375.db2.gz PWNMVSHNMWBOJY-CABCVRRESA-N 1 0 332.404 0.769 50 0 ECAARO O[C@@H](C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)Cn1cccn1 ZINC000069740492 435963460 /nfs/dbraw/zinc/96/34/60/435963460.db2.gz GRJQDBQUXISOOR-GJZGRUSLSA-N 1 0 346.435 0.759 50 0 ECAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCCS(N)(=O)=O)C2)nn1 ZINC000069779522 435965129 /nfs/dbraw/zinc/96/51/29/435965129.db2.gz SYNZYUJCOUVJHV-CYBMUJFWSA-N 1 0 327.454 0.364 50 0 ECAARO Cc1ccc(S(=O)(=O)NCCNC(=O)C[NH+]2CCCCC2)cc1 ZINC000004185298 435976283 /nfs/dbraw/zinc/97/62/83/435976283.db2.gz KBIBDXWAMSVYRJ-UHFFFAOYSA-N 1 0 339.461 0.875 50 0 ECAARO O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069596192 435949687 /nfs/dbraw/zinc/94/96/87/435949687.db2.gz POGVOALKNLKDEB-KGLIPLIRSA-N 1 0 346.387 0.911 50 0 ECAARO Cc1nn(C)c(Cl)c1C(=O)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000071185788 436004613 /nfs/dbraw/zinc/00/46/13/436004613.db2.gz PONHFRXWBBBSFX-UHFFFAOYSA-N 1 0 341.843 0.699 50 0 ECAARO CCN(C)C(=O)Cn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071711891 436006019 /nfs/dbraw/zinc/00/60/19/436006019.db2.gz CAMYPFJFAPURDK-CQSZACIVSA-N 1 0 343.431 0.979 50 0 ECAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3ncccn3)CC2)C1 ZINC000071759728 436009391 /nfs/dbraw/zinc/00/93/91/436009391.db2.gz NDJYXJCEZGKODE-OAHLLOKOSA-N 1 0 347.463 0.920 50 0 ECAARO CC(C)[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1O ZINC000071837351 436015291 /nfs/dbraw/zinc/01/52/91/436015291.db2.gz JDIRHRAZYAOXNJ-UHFFFAOYSA-N 1 0 329.422 0.921 50 0 ECAARO Cc1cc(C)n2nc(CC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)nc2n1 ZINC000071839790 436018025 /nfs/dbraw/zinc/01/80/25/436018025.db2.gz VMNAVBWQMZYDJJ-CQSZACIVSA-N 1 0 328.420 0.980 50 0 ECAARO Cc1csc2nc(CN3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)cc(=O)n12 ZINC000071864164 436019834 /nfs/dbraw/zinc/01/98/34/436019834.db2.gz ZQHGODBJOZKUHV-DGCLKSJQSA-N 1 0 336.461 0.951 50 0 ECAARO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000072300761 436043729 /nfs/dbraw/zinc/04/37/29/436043729.db2.gz ATFXHVDDRKJJNX-YVEFUNNKSA-N 1 0 348.403 0.548 50 0 ECAARO CC(C)N1c2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+](C)C)C1=O ZINC000013653496 436065207 /nfs/dbraw/zinc/06/52/07/436065207.db2.gz MIGVKCFPDSSQJK-HNNXBMFYSA-N 1 0 346.431 0.667 50 0 ECAARO OC[C@@H]1CCCC[N@@H+]1CCNc1nc2nonc2nc1N1CCCC1 ZINC000015062265 436076099 /nfs/dbraw/zinc/07/60/99/436076099.db2.gz XRDVODJNKUQSDO-LBPRGKRZSA-N 1 0 347.423 0.872 50 0 ECAARO Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000075603498 436167311 /nfs/dbraw/zinc/16/73/11/436167311.db2.gz SUNGJQJLVXRESQ-LLVKDONJSA-N 1 0 331.424 0.852 50 0 ECAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCCc3cnn(C)c3)C[C@H]2C)CC1 ZINC000076055452 436187668 /nfs/dbraw/zinc/18/76/68/436187668.db2.gz ZJUJFGHULUYYLS-QAPCUYQASA-N 1 0 333.480 0.837 50 0 ECAARO O=C(c1cnn2ccccc12)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077419077 436235829 /nfs/dbraw/zinc/23/58/29/436235829.db2.gz KMWYLUYNGKEONH-SFHVURJKSA-N 1 0 344.415 0.634 50 0 ECAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2C)CC1 ZINC000076055123 436188837 /nfs/dbraw/zinc/18/88/37/436188837.db2.gz QXHMXSVUSJNYPY-WBVHZDCISA-N 1 0 336.480 0.483 50 0 ECAARO O=C(CN1CCC[N@H+](Cc2cccs2)CC1)N1CCNC(=O)C1 ZINC000030211586 436214922 /nfs/dbraw/zinc/21/49/22/436214922.db2.gz MOBRFBPRXLPGBU-UHFFFAOYSA-N 1 0 336.461 0.214 50 0 ECAARO Cn1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000032758950 436243248 /nfs/dbraw/zinc/24/32/48/436243248.db2.gz MPCCINUVJLCTOC-UHFFFAOYSA-N 1 0 327.432 0.968 50 0 ECAARO CN(Cc1nccn1Cc1ccccc1)C[C@]1(O)C[NH2+]CCOC1 ZINC000077287168 436231108 /nfs/dbraw/zinc/23/11/08/436231108.db2.gz RVLBKYYXKDEICN-GOSISDBHSA-N 1 0 330.432 0.714 50 0 ECAARO O=C(c1ccc(-n2cnnc2)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000078788934 436278598 /nfs/dbraw/zinc/27/85/98/436278598.db2.gz BKOGVOYIDALASP-DLBZAZTESA-N 1 0 341.415 0.939 50 0 ECAARO Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000078896546 436281743 /nfs/dbraw/zinc/28/17/43/436281743.db2.gz QVOADKASIRTTFY-GXTWGEPZSA-N 1 0 339.461 0.973 50 0 ECAARO C[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000078898920 436283254 /nfs/dbraw/zinc/28/32/54/436283254.db2.gz MMJICISBXYTVGY-ONGXEEELSA-N 1 0 325.390 0.360 50 0 ECAARO CCCn1nc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1=O ZINC000042577927 436308803 /nfs/dbraw/zinc/30/88/03/436308803.db2.gz RYSKSGJUEJWHTO-INIZCTEOSA-N 1 0 349.479 0.655 50 0 ECAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CN3CCOC3=O)cc2C1 ZINC000082098124 436362106 /nfs/dbraw/zinc/36/21/06/436362106.db2.gz SRFFZUVPBIWTFQ-UHFFFAOYSA-N 1 0 349.435 0.813 50 0 ECAARO CNc1cc(C)[nH+]c(N2CCn3nc(CNC(=O)N(C)C)cc3C2)n1 ZINC000082136800 436362200 /nfs/dbraw/zinc/36/22/00/436362200.db2.gz MLMOCVDIDFUMBX-UHFFFAOYSA-N 1 0 344.423 0.815 50 0 ECAARO Cn1c2cc(S(=O)(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)ccc2oc1=O ZINC000082139297 436363999 /nfs/dbraw/zinc/36/39/99/436363999.db2.gz FSYURCUGMDBOAA-IUCAKERBSA-N 1 0 329.353 0.110 50 0 ECAARO C[C@H](CNC(=O)CN(C)S(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000046215613 436388473 /nfs/dbraw/zinc/38/84/73/436388473.db2.gz XEAQJOYGQQIRIW-CYBMUJFWSA-N 1 0 339.461 0.441 50 0 ECAARO CN(CC(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1)S(C)(=O)=O ZINC000085473217 436389684 /nfs/dbraw/zinc/38/96/84/436389684.db2.gz OUIZBPSMFNQZJP-ZDUSSCGKSA-N 1 0 349.522 0.308 50 0 ECAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000046883873 436404289 /nfs/dbraw/zinc/40/42/89/436404289.db2.gz YZTZQGKYRCJNFN-BETUJISGSA-N 1 0 346.435 0.224 50 0 ECAARO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n(C)c1 ZINC000046998200 436407963 /nfs/dbraw/zinc/40/79/63/436407963.db2.gz PINPFNJLCVIFLF-QWHCGFSZSA-N 1 0 340.449 0.290 50 0 ECAARO O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000048253257 436445794 /nfs/dbraw/zinc/44/57/94/436445794.db2.gz KJYSHSVVFDVVJE-SFHVURJKSA-N 1 0 342.443 0.997 50 0 ECAARO Cc1cc(N)n(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000091325628 436448962 /nfs/dbraw/zinc/44/89/62/436448962.db2.gz PWSXIQAUNLCSDQ-HZPDHXFCSA-N 1 0 349.479 0.717 50 0 ECAARO Cc1cc(N2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc(C)[nH+]1 ZINC000091364692 436450657 /nfs/dbraw/zinc/45/06/57/436450657.db2.gz GDMFXJRVSRMPRG-CQSZACIVSA-N 1 0 345.403 0.335 50 0 ECAARO O=C(NCCCc1ccco1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCOCC2)C1 ZINC000096149129 436515181 /nfs/dbraw/zinc/51/51/81/436515181.db2.gz KERJBYNSWXLFAF-CABCVRRESA-N 1 0 349.431 0.413 50 0 ECAARO Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)N(C)C)[nH+]1 ZINC000049372171 436469467 /nfs/dbraw/zinc/46/94/67/436469467.db2.gz KELGDBMMEFFQDO-UHFFFAOYSA-N 1 0 342.469 0.583 50 0 ECAARO Nc1nc(N2CCN(C(=O)N3CCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000095361013 436491267 /nfs/dbraw/zinc/49/12/67/436491267.db2.gz JYPYPEPFBFZRIY-UHFFFAOYSA-N 1 0 346.435 0.512 50 0 ECAARO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000095402273 436495014 /nfs/dbraw/zinc/49/50/14/436495014.db2.gz DACHCELCWGMZQY-GJZGRUSLSA-N 1 0 346.435 0.711 50 0 ECAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 ZINC000095508903 436497649 /nfs/dbraw/zinc/49/76/49/436497649.db2.gz SPRAOGHVWXQWEQ-CJNGLKHVSA-N 1 0 343.431 0.741 50 0 ECAARO C[C@@H](CNS(=O)(=O)CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000096420445 436531348 /nfs/dbraw/zinc/53/13/48/436531348.db2.gz DEHSVAOAZFOTFP-HNNXBMFYSA-N 1 0 325.478 0.784 50 0 ECAARO C[NH+]1CCN(c2ccc(F)cc2C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000096412334 436532273 /nfs/dbraw/zinc/53/22/73/436532273.db2.gz UDSASQOEKYVNOA-CYBMUJFWSA-N 1 0 348.422 0.915 50 0 ECAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCN2CCCC2=O)C1 ZINC000096990970 436536501 /nfs/dbraw/zinc/53/65/01/436536501.db2.gz NKWPBSCHKRJKPT-OAHLLOKOSA-N 1 0 340.468 0.655 50 0 ECAARO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000058325576 436624084 /nfs/dbraw/zinc/62/40/84/436624084.db2.gz HQCJEYICQCWBBP-UHFFFAOYSA-N 1 0 345.399 0.649 50 0 ECAARO CCS(=O)(=O)N1CCC([NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000058308310 436624168 /nfs/dbraw/zinc/62/41/68/436624168.db2.gz NKMQRZOCRTYMQM-GFCCVEGCSA-N 1 0 327.454 0.329 50 0 ECAARO CCN(CCC[NH2+]C[C@H]1CNc2cc(C)nn2C1)S(C)(=O)=O ZINC000058307301 436624215 /nfs/dbraw/zinc/62/42/15/436624215.db2.gz NUUQGKZVYJZNHZ-ZDUSSCGKSA-N 1 0 329.470 0.494 50 0 ECAARO O=C(CN1CCC(CC[NH+]2CCOCC2)CC1)Nc1nncs1 ZINC000058420255 436626548 /nfs/dbraw/zinc/62/65/48/436626548.db2.gz ILWLZCPFMQIMSF-UHFFFAOYSA-N 1 0 339.465 0.911 50 0 ECAARO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000106864257 436603393 /nfs/dbraw/zinc/60/33/93/436603393.db2.gz VSNHEISULBEUPW-XHSDSOJGSA-N 1 0 335.452 0.069 50 0 ECAARO CC[NH+]1CCN(c2cc(CNC(=O)c3ccc[nH]c3=O)ccn2)CC1 ZINC000064663984 436649960 /nfs/dbraw/zinc/64/99/60/436649960.db2.gz 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ZINC000065447752 436661641 /nfs/dbraw/zinc/66/16/41/436661641.db2.gz HRCHMKVWBXQYIB-CYBMUJFWSA-N 1 0 332.470 0.196 50 0 ECAARO CN1CCN2CC[N@H+](Cc3ccc(Cn4cccn4)cc3)C[C@@H]2C1=O ZINC000065494809 436665196 /nfs/dbraw/zinc/66/51/96/436665196.db2.gz ZSJXONWQMBQRRF-GOSISDBHSA-N 1 0 339.443 0.890 50 0 ECAARO Cn1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)nn1 ZINC000065536515 436665903 /nfs/dbraw/zinc/66/59/03/436665903.db2.gz UBLUKDIRZJHLSH-CQSZACIVSA-N 1 0 342.403 0.765 50 0 ECAARO Cc1ccc(N2CCn3nc(C(=O)NCC[NH+](C)C)cc3C2)nn1 ZINC000067881428 436726933 /nfs/dbraw/zinc/72/69/33/436726933.db2.gz XRJLDVNCOHXQCB-UHFFFAOYSA-N 1 0 329.408 0.293 50 0 ECAARO CC(C)([NH3+])c1cn(C2CCN(c3ncnc4nc[nH]c43)CC2)nn1 ZINC000067854970 436727384 /nfs/dbraw/zinc/72/73/84/436727384.db2.gz GCKJNEJVMCQZRC-UHFFFAOYSA-N 1 0 327.396 0.980 50 0 ECAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000237362184 436732308 /nfs/dbraw/zinc/73/23/08/436732308.db2.gz BGYOMYBJTAYRFD-UHFFFAOYSA-N 1 0 346.474 0.710 50 0 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C[C@H](C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)n1cncn1 ZINC000044934195 436353849 /nfs/dbraw/zinc/35/38/49/436353849.db2.gz CNMRWJZLYDPXJW-NVXWUHKLSA-N 1 0 342.447 0.944 50 0 ECAARO CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000042391544 436303687 /nfs/dbraw/zinc/30/36/87/436303687.db2.gz LIUPZNPVGBRHDM-ZDUSSCGKSA-N 1 0 331.482 0.649 50 0 ECAARO O=C(C[C@H]1COCC[NH2+]1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000082087125 436361750 /nfs/dbraw/zinc/36/17/50/436361750.db2.gz RGYXGJZNSYYHQJ-AWEZNQCLSA-N 1 0 341.415 0.657 50 0 ECAARO CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000045406856 436366332 /nfs/dbraw/zinc/36/63/32/436366332.db2.gz MHRIKOLLEVOBII-ZIAGYGMSSA-N 1 0 344.481 0.336 50 0 ECAARO C[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046955185 436405368 /nfs/dbraw/zinc/40/53/68/436405368.db2.gz PIGHNBUNNSXLHZ-KGLIPLIRSA-N 1 0 345.509 0.895 50 0 ECAARO C[NH+](C)[C@H]1CCCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)C1 ZINC000089314047 436407314 /nfs/dbraw/zinc/40/73/14/436407314.db2.gz JMABAABFGPGCMA-AWEZNQCLSA-N 1 0 346.497 0.394 50 0 ECAARO CCn1c(C)nnc1CN(C)[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000089300486 436407644 /nfs/dbraw/zinc/40/76/44/436407644.db2.gz LGAKRHVQENBEHS-HOTGVXAUSA-N 1 0 347.467 0.370 50 0 ECAARO CC(C)[C@H]1C[N@H+](CC(C)(C)N2CCOCC2)C[C@@H]1NS(C)(=O)=O ZINC000092038450 436467092 /nfs/dbraw/zinc/46/70/92/436467092.db2.gz ZZCFPRZFAAFDPL-CABCVRRESA-N 1 0 347.525 0.603 50 0 ECAARO C[NH+]1CCN(c2cc(CNS(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000048277318 436445872 /nfs/dbraw/zinc/44/58/72/436445872.db2.gz ZBDURGSJFFAKQL-UHFFFAOYSA-N 1 0 339.465 0.264 50 0 ECAARO COc1ccc2c(ccn(CC(=O)N3CCC[NH2+]CC3)c2=O)c1OC ZINC000095505670 436498013 /nfs/dbraw/zinc/49/80/13/436498013.db2.gz YZTOSZHOMOKPPM-UHFFFAOYSA-N 1 0 345.399 0.841 50 0 ECAARO Cc1nonc1OCC[NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095503902 436498817 /nfs/dbraw/zinc/49/88/17/436498817.db2.gz KSOICGMDFAIULK-UHFFFAOYSA-N 1 0 344.379 0.682 50 0 ECAARO 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C[NH+](C)CCn1cc(NC(=O)CNC(=O)c2ccc(F)cc2)cn1 ZINC000061635530 436637659 /nfs/dbraw/zinc/63/76/59/436637659.db2.gz SDFZCHBRGFXDQA-UHFFFAOYSA-N 1 0 333.367 0.952 50 0 ECAARO CCc1cc(N2CCC3(CNC(=O)O3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065428518 436659920 /nfs/dbraw/zinc/65/99/20/436659920.db2.gz LBCSYUOZGUYQRZ-UHFFFAOYSA-N 1 0 347.419 0.954 50 0 ECAARO Cn1ncc2c1nc(C(=O)NCC[NH+](C)C)nc2N1CCCCC1 ZINC000065257142 436654799 /nfs/dbraw/zinc/65/47/99/436654799.db2.gz HTQCBTSXWLDERM-UHFFFAOYSA-N 1 0 331.424 0.645 50 0 ECAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1cnccn1)C2 ZINC000222324173 436702402 /nfs/dbraw/zinc/70/24/02/436702402.db2.gz FTVRIXUJOFGNMB-MRXNPFEDSA-N 1 0 344.419 0.243 50 0 ECAARO C[NH+](C)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223357293 436705075 /nfs/dbraw/zinc/70/50/75/436705075.db2.gz XASCMHKWKRDPMV-ZDUSSCGKSA-N 1 0 333.388 0.584 50 0 ECAARO Cc1ccnn1CC(=O)N1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000223362352 436705646 /nfs/dbraw/zinc/70/56/46/436705646.db2.gz ARTVESNWQUAWGY-INIZCTEOSA-N 1 0 346.435 0.416 50 0 ECAARO O=C1[C@H]([N@H+]2C[C@H](O)C[C@@H]2CO)CCCN1Cc1ccc(F)cc1F ZINC000225548961 436712084 /nfs/dbraw/zinc/71/20/84/436712084.db2.gz YSWNJXUVGRFLFN-IIAWOOMASA-N 1 0 340.370 0.883 50 0 ECAARO CCOC1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000065462847 436663815 /nfs/dbraw/zinc/66/38/15/436663815.db2.gz IDQQSPGBJGAGRZ-UHFFFAOYSA-N 1 0 349.435 0.325 50 0 ECAARO Cc1cc(-n2nc(C3CC3)nc2CC[C@@H]2NC(=O)NC2=O)cc[nH+]1 ZINC000065529939 436665937 /nfs/dbraw/zinc/66/59/37/436665937.db2.gz HFXMUBZCRFICFK-LBPRGKRZSA-N 1 0 326.360 0.989 50 0 ECAARO COCc1nc(Cn2cnc3sc4c(c3c2=O)CC[NH2+]C4)no1 ZINC000065531098 436667420 /nfs/dbraw/zinc/66/74/20/436667420.db2.gz OKCVLVXLTCUZBR-UHFFFAOYSA-N 1 0 333.373 0.681 50 0 ECAARO C[N@@H+]1CCC[C@H](C(=O)NCc2nnc3ccc(N4CCCC4)nn32)C1 ZINC000238886852 436758353 /nfs/dbraw/zinc/75/83/53/436758353.db2.gz QDHXSMGCBQPOSZ-ZDUSSCGKSA-N 1 0 343.435 0.683 50 0 ECAARO CC(C)[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000241440017 436758952 /nfs/dbraw/zinc/75/89/52/436758952.db2.gz NOLBCJVDJKNZGO-TUVASFSCSA-N 1 0 325.453 0.844 50 0 ECAARO CCS(=O)(=O)CCN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000241121723 436759233 /nfs/dbraw/zinc/75/92/33/436759233.db2.gz JDLQDMOICQBRTB-LBPRGKRZSA-N 1 0 326.484 0.025 50 0 ECAARO CN(CCc1ccccn1)C(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000240936847 436759389 /nfs/dbraw/zinc/75/93/89/436759389.db2.gz SETWNHMTXCONRS-OAHLLOKOSA-N 1 0 339.461 0.592 50 0 ECAARO COC(=O)c1cn([C@@H]2CCCN([C@H](C)c3nnnn3C3CC3)C2)nn1 ZINC000241161326 436759733 /nfs/dbraw/zinc/75/97/33/436759733.db2.gz JZWGPQOCSZTLQR-ZYHUDNBSSA-N 1 0 346.395 0.784 50 0 ECAARO O=C(CN1CCNC(=O)C[C@H]1c1ccccc1)NC[C@H]1CCCO1 ZINC000245199280 436761141 /nfs/dbraw/zinc/76/11/41/436761141.db2.gz HAQSCMMBOVPZFW-CVEARBPZSA-N 1 0 331.416 0.845 50 0 ECAARO C[C@@H]([NH3+])C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067562935 436716137 /nfs/dbraw/zinc/71/61/37/436716137.db2.gz ZAOONWYXCGJHNE-CQSZACIVSA-N 1 0 340.431 0.767 50 0 ECAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC000229918442 436716905 /nfs/dbraw/zinc/71/69/05/436716905.db2.gz SFEPEFBKGCLGLF-GOEBONIOSA-N 1 0 345.509 0.296 50 0 ECAARO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2[C@@H]2COC(C)(C)O2)cc1OC ZINC000230211490 436717015 /nfs/dbraw/zinc/71/70/15/436717015.db2.gz GKNFGWIRAORKFH-ZNMIVQPWSA-N 1 0 336.388 0.893 50 0 ECAARO CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000154023542 436768475 /nfs/dbraw/zinc/76/84/75/436768475.db2.gz SFIFZSHSYIZRRJ-BETUJISGSA-N 1 0 339.461 0.736 50 0 ECAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)o1 ZINC000069484942 436775642 /nfs/dbraw/zinc/77/56/42/436775642.db2.gz HPJKYWIAXQMVLG-RYUDHWBXSA-N 1 0 341.433 0.887 50 0 ECAARO O=C(NCc1ccco1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000253401742 436841953 /nfs/dbraw/zinc/84/19/53/436841953.db2.gz NLWKTJNTPONFOE-UHFFFAOYSA-N 1 0 349.431 0.903 50 0 ECAARO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@]1(CCO)CCOC1 ZINC000253426981 436844985 /nfs/dbraw/zinc/84/49/85/436844985.db2.gz KAUXUNQFRVMSJD-MRXNPFEDSA-N 1 0 326.437 0.679 50 0 ECAARO C[C@@H]1OCC[C@@]1(O)CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000253429376 436846579 /nfs/dbraw/zinc/84/65/79/436846579.db2.gz SYQDYZOVRRBIPB-WMLDXEAASA-N 1 0 326.437 0.678 50 0 ECAARO COc1ccc(C[NH+]2CCC(N3C[C@H](O)C[C@H]3C(N)=O)CC2)cc1 ZINC000257192029 436860380 /nfs/dbraw/zinc/86/03/80/436860380.db2.gz QEJVWSABWLKDHL-WBVHZDCISA-N 1 0 333.432 0.580 50 0 ECAARO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000252481610 436834517 /nfs/dbraw/zinc/83/45/17/436834517.db2.gz CPBYFEHMGVXXOZ-QGZVFWFLSA-N 1 0 335.404 0.323 50 0 ECAARO CC(=O)N1CCC[C@H](S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000257365087 436877584 /nfs/dbraw/zinc/87/75/84/436877584.db2.gz RFUVTMZOXQQDNN-SNPRPXQTSA-N 1 0 329.466 0.496 50 0 ECAARO Cc1cc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc[nH+]1 ZINC000274834029 436879392 /nfs/dbraw/zinc/87/93/92/436879392.db2.gz TXWJBYXUCSLHRV-UHFFFAOYSA-N 1 0 339.465 0.004 50 0 ECAARO CNC(=O)COc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1OC ZINC000261732730 436885206 /nfs/dbraw/zinc/88/52/06/436885206.db2.gz NBQGEASZCPQVIA-CYBMUJFWSA-N 1 0 335.404 0.644 50 0 ECAARO C[C@H]1CCCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[C@H]1C[NH3+] ZINC000261839941 436892989 /nfs/dbraw/zinc/89/29/89/436892989.db2.gz CLNBQMDEWSBHKD-GWCFXTLKSA-N 1 0 347.462 0.082 50 0 ECAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000262007325 436902308 /nfs/dbraw/zinc/90/23/08/436902308.db2.gz WAKIIOTTYASDQS-GHMZBOCLSA-N 1 0 347.462 0.082 50 0 ECAARO C[C@@H](O)C[N@@H+]1CCN(CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000170601558 436946555 /nfs/dbraw/zinc/94/65/55/436946555.db2.gz VLMBDXXNKVAYBF-HUUCEWRRSA-N 1 0 341.477 0.352 50 0 ECAARO NC(=O)c1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000177647014 437193984 /nfs/dbraw/zinc/19/39/84/437193984.db2.gz CUHOQIRIGXYACA-UHFFFAOYSA-N 1 0 339.399 0.970 50 0 ECAARO CC(=O)NC[C@H]1CN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCO1 ZINC000178136658 437208476 /nfs/dbraw/zinc/20/84/76/437208476.db2.gz SIVBDBLWQJLUQC-KRWDZBQOSA-N 1 0 345.443 0.671 50 0 ECAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)C1(Cn2ccnc2)CC1 ZINC000244758157 303823337 /nfs/dbraw/zinc/82/33/37/303823337.db2.gz OTGDUKNAJJVTDZ-BZUAXINKSA-N 1 0 332.448 0.919 50 0 ECAARO COc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc(Cl)c1OCC(N)=O ZINC000269146022 437459772 /nfs/dbraw/zinc/45/97/72/437459772.db2.gz FBMFVQCWTQBAOT-JTQLQIEISA-N 1 0 341.795 0.647 50 0 ECAARO COc1ccc(C(=O)NCC2(CO)CCOCC2)c(OCC[NH3+])c1 ZINC000426386338 438056259 /nfs/dbraw/zinc/05/62/59/438056259.db2.gz NKJCTRNEFFISID-UHFFFAOYSA-N 1 0 338.404 0.552 50 0 ECAARO Cc1ccc(OCC[NH3+])c(C(=O)NCCc2nc(N)cc(=O)[nH]2)c1 ZINC000426419945 438057732 /nfs/dbraw/zinc/05/77/32/438057732.db2.gz BKSHGIITXBKJDN-UHFFFAOYSA-N 1 0 331.376 0.383 50 0 ECAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(OC)c(OCC[NH3+])c1 ZINC000426612626 438068564 /nfs/dbraw/zinc/06/85/64/438068564.db2.gz SROXKFYWKKKUEG-BBRMVZONSA-N 1 0 337.420 0.482 50 0 ECAARO Cc1ccc(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)cc1OCC[NH3+] ZINC000426727467 438072246 /nfs/dbraw/zinc/07/22/46/438072246.db2.gz LHUPLABIVPYRLI-UHFFFAOYSA-N 1 0 342.399 0.891 50 0 ECAARO CC(C)[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)[C@H](O)C(F)(F)F ZINC000408519044 438581201 /nfs/dbraw/zinc/58/12/01/438581201.db2.gz VQMIQYGOBRVNAV-STQMWFEESA-N 1 0 325.375 0.688 50 0 ECAARO CCc1ccccc1S(=O)(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000583651467 439494939 /nfs/dbraw/zinc/49/49/39/439494939.db2.gz MVNUIRDNPKZFIJ-GFCCVEGCSA-N 1 0 327.450 0.594 50 0 ECAARO CCc1ccccc1S(=O)(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000583651468 439495630 /nfs/dbraw/zinc/49/56/30/439495630.db2.gz MVNUIRDNPKZFIJ-LBPRGKRZSA-N 1 0 327.450 0.594 50 0 ECAARO O=C(CN1CC(=O)NC1=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000584885109 439624291 /nfs/dbraw/zinc/62/42/91/439624291.db2.gz JQZWONILKKEHMP-CQSZACIVSA-N 1 0 345.403 0.277 50 0 ECAARO CC(=O)N1CC[C@]([NH3+])(C(=O)Nc2cc(Br)c[nH]c2=O)C1 ZINC000649306257 440452664 /nfs/dbraw/zinc/45/26/64/440452664.db2.gz IPUPDUAYZWNRMM-GFCCVEGCSA-N 1 0 343.181 0.438 50 0 ECAARO CC(C)[C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccnc1 ZINC000630095477 440850124 /nfs/dbraw/zinc/85/01/24/440850124.db2.gz YNNYLIKPEFMPSB-CABCVRRESA-N 1 0 327.450 0.729 50 0 ECAARO O=C(NCCCC[NH+]1CCOCC1)c1cnc2sccn2c1=O ZINC000040541019 527650816 /nfs/dbraw/zinc/65/08/16/527650816.db2.gz BUDHHGSQBOVVOS-UHFFFAOYSA-N 1 0 336.417 0.598 50 0 ECAARO CC[C@@H](C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1)[NH+](C)C ZINC000181562714 529281518 /nfs/dbraw/zinc/28/15/18/529281518.db2.gz BKAZGXNEJDRPOV-AWEZNQCLSA-N 1 0 333.498 0.893 50 0 ECAARO O=C(COc1ccccc1)N1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000097495516 545731148 /nfs/dbraw/zinc/73/11/48/545731148.db2.gz ZIXJUVFMRHVCEH-HNNXBMFYSA-N 1 0 347.415 0.115 50 0 ECAARO C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@](O)(CO)CC3)cc2)CC1 ZINC000215932147 545919534 /nfs/dbraw/zinc/91/95/34/545919534.db2.gz SBOUDFKKHFOMRG-LJQANCHMSA-N 1 0 347.459 0.788 50 0 ECAARO CC(C)[C@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1ncnn1C ZINC000244858664 545935138 /nfs/dbraw/zinc/93/51/38/545935138.db2.gz VPUJJUIMCAKKLD-SCRDCRAPSA-N 1 0 346.439 0.976 50 0 ECAARO CCc1nccn(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCOC)c1=O ZINC000244898916 545936515 /nfs/dbraw/zinc/93/65/15/545936515.db2.gz ZDXBXVLTRPYHJN-TXEJJXNPSA-N 1 0 332.408 0.297 50 0 ECAARO CN1CC[C@@H](C(=O)Nc2ccc(CC[NH+](C)C)cc2)S1(=O)=O ZINC000585089621 546287622 /nfs/dbraw/zinc/28/76/22/546287622.db2.gz NTUUDHMZYWNTIB-AWEZNQCLSA-N 1 0 325.434 0.763 50 0 ECAARO O=S(=O)(NCCN1CC[NH2+]CC1)c1c(Cl)nc2sccn21 ZINC000670434194 548009550 /nfs/dbraw/zinc/00/95/50/548009550.db2.gz WYYDJYQFSYPKNE-UHFFFAOYSA-N 1 0 349.869 0.233 50 0 ECAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccccc1-n1cncn1 ZINC000670436149 548010777 /nfs/dbraw/zinc/01/07/77/548010777.db2.gz TVGMJOPDMIQYJO-CQSZACIVSA-N 1 0 329.404 0.844 50 0 ECAARO CC(C)n1nccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](O)C1 ZINC000670451822 548014057 /nfs/dbraw/zinc/01/40/57/548014057.db2.gz FUXZMJWYWNYFSD-ZDUSSCGKSA-N 1 0 330.454 0.589 50 0 ECAARO CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O ZINC000685943203 549729756 /nfs/dbraw/zinc/72/97/56/549729756.db2.gz TUJMTBXGIDUPCT-YWPYICTPSA-N 1 0 344.419 0.561 50 0 ECAARO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000888093982 586348656 /nfs/dbraw/zinc/34/86/56/586348656.db2.gz ROPKTOLFLRLHAD-HZSPNIEDSA-N 1 0 329.466 0.446 50 0 ECAARO CC(C)CC[N@@H+]1C[C@@H]2C(=O)N(CCCN3CCCC3=O)C(=O)[C@@H]2C1 ZINC000169752216 609745031 /nfs/dbraw/zinc/74/50/31/609745031.db2.gz NPWKXVGWYKKDIM-GASCZTMLSA-N 1 0 335.448 0.962 50 0 ECAARO COCCN1C(=O)[C@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)C[C@H]2C1=O ZINC000169764513 609745417 /nfs/dbraw/zinc/74/54/17/609745417.db2.gz ZGEFGZMXJMXERS-IYBDPMFKSA-N 1 0 348.399 0.767 50 0 ECAARO [NH3+][C@H]1CCc2nn(CC(=O)N3CCc4ccccc43)c(=O)n2CC1 ZINC000169790559 609746752 /nfs/dbraw/zinc/74/67/52/609746752.db2.gz OXJQHAGZQOHWIG-ZDUSSCGKSA-N 1 0 327.388 0.298 50 0 ECAARO COCCN(C)CC(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000952968527 612138941 /nfs/dbraw/zinc/13/89/41/612138941.db2.gz MIEUMNHUJBZLDF-INIZCTEOSA-N 1 0 326.485 0.051 50 0 ECAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCCn2ncc3ccccc32)C1 ZINC000952987996 612140314 /nfs/dbraw/zinc/14/03/14/612140314.db2.gz PQPIFXAGWPFODP-HNNXBMFYSA-N 1 0 343.431 0.740 50 0 ECAARO