smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC001566562769 1125736381 /nfs/dbraw/zinc/73/63/81/1125736381.db2.gz NQFTUMWMFPOTEU-INIZCTEOSA-N 1 0 331.460 2.076 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2=CCOCC2)cc1C ZINC001496043516 1101974063 /nfs/dbraw/zinc/97/40/63/1101974063.db2.gz UTNUTYSEWQZMQA-HNNXBMFYSA-N 1 0 332.444 2.287 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2nccc(C)n2)cc1C ZINC001497569565 1102680908 /nfs/dbraw/zinc/68/09/08/1102680908.db2.gz VFTSCBFOUZQUDL-PLNGDYQASA-N 1 0 340.427 2.178 10 10 EECERO CC[C@H](CNC(=O)c1cc(C)nn1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494948798 1104593474 /nfs/dbraw/zinc/59/34/74/1104593474.db2.gz OJMGVYANKWRNAF-MRXNPFEDSA-N 1 0 344.459 2.344 10 10 EECERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001466665491 1110440539 /nfs/dbraw/zinc/44/05/39/1110440539.db2.gz KEXOHTXYHSXKNT-WMLDXEAASA-N 1 0 340.423 2.277 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc(OC)no1 ZINC001568736620 1124751198 /nfs/dbraw/zinc/75/11/98/1124751198.db2.gz GHGYZEXGSSNAHX-UHFFFAOYSA-N 1 0 347.415 2.252 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[NH+]3CCCC3)C2)cc1C ZINC001565856885 1125437037 /nfs/dbraw/zinc/43/70/37/1125437037.db2.gz VUJSVOCPLXDJFP-HDICACEKSA-N 1 0 345.487 2.084 10 10 EECERO COc1ccnc(NC2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC000191688752 237268517 /nfs/dbraw/zinc/26/85/17/237268517.db2.gz SREGSEMIAULINL-UHFFFAOYSA-N 1 0 344.415 2.276 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)CC[C@@H]1C)cc2=O ZINC000072897557 463561116 /nfs/dbraw/zinc/56/11/16/463561116.db2.gz SAWBIPMSOBYMCG-RYUDHWBXSA-N 1 0 332.404 2.232 10 10 EECERO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000084736302 463626277 /nfs/dbraw/zinc/62/62/77/463626277.db2.gz BWAFDHJIZGZBBQ-CVEARBPZSA-N 1 0 340.489 2.153 10 10 EECERO CC[C@@H]([NH2+]CCn1cncn1)c1cc(Br)ccc1O ZINC000274911436 464759243 /nfs/dbraw/zinc/75/92/43/464759243.db2.gz NHHSIFADYCNETA-GFCCVEGCSA-N 1 0 325.210 2.487 10 10 EECERO COc1ccnc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000049979449 537117260 /nfs/dbraw/zinc/11/72/60/537117260.db2.gz RIVVLYBQGXGRBO-UHFFFAOYSA-N 1 0 328.416 2.130 10 10 EECERO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765955467 577510014 /nfs/dbraw/zinc/51/00/14/577510014.db2.gz VVGCRTGRRDPMSA-XMHCIUCPSA-N 1 0 328.453 2.082 10 10 EECERO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468085 577578633 /nfs/dbraw/zinc/57/86/33/577578633.db2.gz ADUKAQNEZGQSGK-JTQLQIEISA-N 1 0 348.262 2.021 10 10 EECERO CC(C)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(=O)NCC[NH+](C)C ZINC000756860351 577851773 /nfs/dbraw/zinc/85/17/73/577851773.db2.gz UMLASZHKLNXYIZ-CJNGLKHVSA-N 1 0 339.455 2.274 10 10 EECERO CCN(CC)c1ccc(CN(C)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000895492947 684619638 /nfs/dbraw/zinc/61/96/38/684619638.db2.gz CTLJBNVTMXNMMV-LJQANCHMSA-N 1 0 345.487 2.212 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cccnn2)C(C)C)cc1C ZINC001268221308 1182031710 /nfs/dbraw/zinc/03/17/10/1182031710.db2.gz LSDTYJSUCBVHDV-QGZVFWFLSA-N 1 0 342.443 2.338 10 10 EECERO COCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001482027841 1183158319 /nfs/dbraw/zinc/15/83/19/1183158319.db2.gz RCNNLMPPGXMNFB-HDJSIYSDSA-N 1 0 347.419 2.126 10 10 EECERO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1Cc2cccc(O)c2C1 ZINC000871205824 1201099132 /nfs/dbraw/zinc/09/91/32/1201099132.db2.gz ZJONNAPAJJSGQK-OAHLLOKOSA-N 1 0 332.469 2.452 10 10 EECERO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000866576921 1201551614 /nfs/dbraw/zinc/55/16/14/1201551614.db2.gz BQUHCKSQPICPJC-MRXNPFEDSA-N 1 0 346.452 2.120 10 10 EECERO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(N2CCCCC2)cc1 ZINC000903285435 1240174703 /nfs/dbraw/zinc/17/47/03/1240174703.db2.gz KGKSZMXXZRKUAL-FXAWDEMLSA-N 1 0 347.503 2.021 10 10 EECERO CCn1ccc(CC(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001491463528 1259114668 /nfs/dbraw/zinc/11/46/68/1259114668.db2.gz ONNXPXJPRVPNCG-OAHLLOKOSA-N 1 0 344.459 2.057 10 10 EECERO OCC1CCN(c2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)CC1 ZINC000850072614 1277017037 /nfs/dbraw/zinc/01/70/37/1277017037.db2.gz DQANMTHNTRSQEH-UHFFFAOYSA-N 1 0 340.471 2.328 10 10 EECERO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000857243112 1293770360 /nfs/dbraw/zinc/77/03/60/1293770360.db2.gz WMALOTRDFSAQJB-KRWDZBQOSA-N 1 0 344.411 2.470 10 10 EECERO COc1cc(Br)cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863485051 1296302692 /nfs/dbraw/zinc/30/26/92/1296302692.db2.gz SIOWBBDIRSHBSO-SKDRFNHKSA-N 1 0 329.238 2.393 10 10 EECERO CCn1cnc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001265850249 1323424908 /nfs/dbraw/zinc/42/49/08/1323424908.db2.gz BYIOIYHOFTZVGB-AWEZNQCLSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001282125822 1325629096 /nfs/dbraw/zinc/62/90/96/1325629096.db2.gz YWCKRXCLWPVKTC-LSDHHAIUSA-N 1 0 332.444 2.333 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@]2(F)CCOC2)cc1C ZINC001492072317 1330444949 /nfs/dbraw/zinc/44/49/49/1330444949.db2.gz HCQVNTNTQBFLKE-KDOFPFPSSA-N 1 0 338.423 2.117 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[C@@H]2CCOC2)cc1C ZINC001317230590 1332145760 /nfs/dbraw/zinc/14/57/60/1332145760.db2.gz BBJLRIDUHCPEPH-HZPDHXFCSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2csc(=O)[nH]2)cc1C ZINC001317621123 1332332436 /nfs/dbraw/zinc/33/24/36/1332332436.db2.gz DJEUWWACZZPPME-UHFFFAOYSA-N 1 0 335.429 2.028 10 10 EECERO CN1CCN(c2ccc(CN3CCC[C@@]4(CC[NH2+]C4)C3)cc2F)CC1 ZINC001329433114 1334649362 /nfs/dbraw/zinc/64/93/62/1334649362.db2.gz LMZCSZVKIVAOKB-FQEVSTJZSA-N 1 0 346.494 2.153 10 10 EECERO COC1CCN(c2ccc(C[NH+]3CCC(NC(C)=O)CC3)cc2)CC1 ZINC001615351173 1352324062 /nfs/dbraw/zinc/32/40/62/1352324062.db2.gz JEQLBPWCYYGYPL-UHFFFAOYSA-N 1 0 345.487 2.402 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cn3c(n2)CCC3)cc1C ZINC001567016610 1342678843 /nfs/dbraw/zinc/67/88/43/1342678843.db2.gz JKNKFDOCWCCFEM-CQSZACIVSA-N 1 0 342.443 2.054 10 10 EECERO CCC1(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001677112369 1357279551 /nfs/dbraw/zinc/27/95/51/1357279551.db2.gz NJUVSLQGYLLXDX-INIZCTEOSA-N 1 0 334.460 2.103 10 10 EECERO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)CCN(C)c2ccc(OC)cc2)C1 ZINC001659281027 1354378562 /nfs/dbraw/zinc/37/85/62/1354378562.db2.gz NRKQSDGLQLFSKC-QGZVFWFLSA-N 1 0 348.443 2.299 10 10 EECERO CCn1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001667008490 1355631998 /nfs/dbraw/zinc/63/19/98/1355631998.db2.gz VEIILNIIFSOBOA-OAHLLOKOSA-N 1 0 344.459 2.470 10 10 EECERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000818362125 785256552 /nfs/dbraw/zinc/25/65/52/785256552.db2.gz PPPUPAFZVRDUHA-WMLDXEAASA-N 1 0 329.444 2.475 10 10 EECERO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000818966683 785332271 /nfs/dbraw/zinc/33/22/71/785332271.db2.gz MSYUXJIKTQFKIU-GOSISDBHSA-N 1 0 349.381 2.020 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]3SC)CC2)cc1 ZINC000822455908 787214843 /nfs/dbraw/zinc/21/48/43/787214843.db2.gz MMOKBOXEZWXNCS-MSOLQXFVSA-N 1 0 335.517 2.301 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001136832095 788074676 /nfs/dbraw/zinc/07/46/76/788074676.db2.gz ARXDFUCJCMUYFK-QGZVFWFLSA-N 1 0 340.423 2.421 10 10 EECERO OCCN1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000824584208 788247118 /nfs/dbraw/zinc/24/71/18/788247118.db2.gz XFVDVOUVVKGNOX-CQSZACIVSA-N 1 0 343.265 2.091 10 10 EECERO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000912611421 788267326 /nfs/dbraw/zinc/26/73/26/788267326.db2.gz PQTHRMDDOGPIIC-UHFFFAOYSA-N 1 0 347.434 2.229 10 10 EECERO CO[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCSC1 ZINC000922571146 801348500 /nfs/dbraw/zinc/34/85/00/801348500.db2.gz PHGYTHFYESOKFE-GOSISDBHSA-N 1 0 336.501 2.259 10 10 EECERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000792954481 810086720 /nfs/dbraw/zinc/08/67/20/810086720.db2.gz INYRIWBCPAADEA-UHFFFAOYSA-N 1 0 335.448 2.322 10 10 EECERO CCn1cc(C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001497550322 1102654327 /nfs/dbraw/zinc/65/43/27/1102654327.db2.gz IFAOGQMDVNHXEG-AATRIKPKSA-N 1 0 342.443 2.296 10 10 EECERO CC[C@H](CNC(=O)c1cnn(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494940184 1104583627 /nfs/dbraw/zinc/58/36/27/1104583627.db2.gz YGCZUBBPVGYZQX-MRXNPFEDSA-N 1 0 330.432 2.035 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ncccc2O)cc1C ZINC001507069089 1115091476 /nfs/dbraw/zinc/09/14/76/1115091476.db2.gz VVQXRODROSMALA-CQSZACIVSA-N 1 0 343.427 2.355 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cccnc2)cc1C ZINC001568807490 1124823318 /nfs/dbraw/zinc/82/33/18/1124823318.db2.gz QHLPIIODHXMQGA-ONEGZZNKSA-N 1 0 325.412 2.474 10 10 EECERO c1ncn(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000128487483 462644914 /nfs/dbraw/zinc/64/49/14/462644914.db2.gz FBTYPYXRXLWOMM-GOSISDBHSA-N 1 0 341.459 2.027 10 10 EECERO c1cn2c(n1)[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000089787902 462719151 /nfs/dbraw/zinc/71/91/51/462719151.db2.gz BMVDGRQLAAICGT-QGZVFWFLSA-N 1 0 326.444 2.387 10 10 EECERO CN1CCCc2cc(CNC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)ccc21 ZINC000174446969 464408404 /nfs/dbraw/zinc/40/84/04/464408404.db2.gz YSMYLHXSTCMWDH-SFHVURJKSA-N 1 0 340.471 2.225 10 10 EECERO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000375792958 466875390 /nfs/dbraw/zinc/87/53/90/466875390.db2.gz RMFXJZCHCFHWGR-AABGKKOBSA-N 1 0 329.488 2.486 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H]3C)cc2F)CC1 ZINC000106584842 529153318 /nfs/dbraw/zinc/15/33/18/529153318.db2.gz ZOQMZRSUOMULRN-BBRMVZONSA-N 1 0 334.439 2.175 10 10 EECERO C[NH+]1CCN(c2ccc(/C=C3/N=C(c4cccnc4)OC3=O)cc2)CC1 ZINC000771519521 577216696 /nfs/dbraw/zinc/21/66/96/577216696.db2.gz GRBSVVZKLUZMRM-QGOAFFKASA-N 1 0 348.406 2.178 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000769527252 577579805 /nfs/dbraw/zinc/57/98/05/577579805.db2.gz OUMXXEPVJWPBIA-HXUWFJFHSA-N 1 0 346.471 2.293 10 10 EECERO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(Br)cc1O ZINC000786952347 691800731 /nfs/dbraw/zinc/80/07/31/691800731.db2.gz VYWYBMYPCGJBRJ-VIFPVBQESA-N 1 0 348.262 2.240 10 10 EECERO CCc1c[nH]c(CC(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001266951764 1177883045 /nfs/dbraw/zinc/88/30/45/1177883045.db2.gz XNNRETAQBPXWFQ-CQSZACIVSA-N 1 0 344.459 2.126 10 10 EECERO CC[C@H](CNC(=O)c1cn(C)nc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481797492 1182714979 /nfs/dbraw/zinc/71/49/79/1182714979.db2.gz LYUXBVQIWLVDSJ-MRXNPFEDSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CCCO2)cc1C ZINC001268517467 1183166767 /nfs/dbraw/zinc/16/67/67/1183166767.db2.gz ZZLQLZOYGHSPNS-IDOMTICXSA-N 1 0 332.444 2.335 10 10 EECERO CC[C@H](F)C[NH2+]C/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268632791 1183560836 /nfs/dbraw/zinc/56/08/36/1183560836.db2.gz KJOYZRQAJYHVBE-YXVXEQSYSA-N 1 0 335.383 2.473 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cnccn2)C2CC2)cc1C ZINC001269038046 1183911114 /nfs/dbraw/zinc/91/11/14/1183911114.db2.gz GNBWSWIUGBSDQS-MRXNPFEDSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001482740927 1187700083 /nfs/dbraw/zinc/70/00/83/1187700083.db2.gz FIAUDLHAUQJSEW-PBHICJAKSA-N 1 0 334.460 2.007 10 10 EECERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H](C)OC)C2)cc1C ZINC001484510757 1191389397 /nfs/dbraw/zinc/38/93/97/1191389397.db2.gz SYDINDLCMAMLTR-CVEARBPZSA-N 1 0 334.460 2.367 10 10 EECERO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc2c(cc1O)CCCC2 ZINC000866522035 1201539975 /nfs/dbraw/zinc/53/99/75/1201539975.db2.gz SBXVJZCIRCNCOJ-ORAYPTAESA-N 1 0 346.427 2.143 10 10 EECERO Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724600943 1230669233 /nfs/dbraw/zinc/66/92/33/1230669233.db2.gz TVMCEYYRZYSFCX-QKCSRTOESA-N 1 0 328.206 2.048 10 10 EECERO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1O ZINC000850506001 1277253156 /nfs/dbraw/zinc/25/31/56/1277253156.db2.gz APDKQLXVKWXWGH-MLGOLLRUSA-N 1 0 329.824 2.173 10 10 EECERO CN(C)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)C2(CO)CCC2)cc1 ZINC000852073073 1291982177 /nfs/dbraw/zinc/98/21/77/1291982177.db2.gz OTALFNZIZJWYEI-SFHVURJKSA-N 1 0 328.460 2.480 10 10 EECERO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000852856575 1292216380 /nfs/dbraw/zinc/21/63/80/1292216380.db2.gz ATXLGSQEZCQLCD-UHFFFAOYSA-N 1 0 343.471 2.156 10 10 EECERO Cc1ccc(COCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000856995446 1293692619 /nfs/dbraw/zinc/69/26/19/1293692619.db2.gz WXZUQQBIBSINAI-LJQANCHMSA-N 1 0 341.455 2.394 10 10 EECERO c1cc(CN2CCO[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000858306433 1294077452 /nfs/dbraw/zinc/07/74/52/1294077452.db2.gz MMVHVYZTOCZRQC-IBGZPJMESA-N 1 0 339.439 2.007 10 10 EECERO CN(C)c1cc(F)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1F ZINC000862384632 1295819471 /nfs/dbraw/zinc/81/94/71/1295819471.db2.gz FMPJPKPXPUKOEP-MRRJBJDNSA-N 1 0 340.414 2.393 10 10 EECERO O=C1OC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000862544600 1295873589 /nfs/dbraw/zinc/87/35/89/1295873589.db2.gz CGWGIDWVQFEFCQ-HUUCEWRRSA-N 1 0 345.399 2.190 10 10 EECERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000862549944 1295876756 /nfs/dbraw/zinc/87/67/56/1295876756.db2.gz AVXPZIMRPJNQRE-LBPRGKRZSA-N 1 0 346.880 2.115 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)n2cccn2)cc1C ZINC001277760524 1304358309 /nfs/dbraw/zinc/35/83/09/1304358309.db2.gz VOPVZUIWYLKEQR-HZPDHXFCSA-N 1 0 344.459 2.398 10 10 EECERO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1O ZINC000797097017 1304644796 /nfs/dbraw/zinc/64/47/96/1304644796.db2.gz SSNFKZRKNLLVKU-DZGCQCFKSA-N 1 0 326.462 2.247 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c(Cl)c1 ZINC000840908268 1315433420 /nfs/dbraw/zinc/43/34/20/1315433420.db2.gz RDXHKHCLQHHWNE-GFCCVEGCSA-N 1 0 346.880 2.115 10 10 EECERO CN1CCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)cc2F)CC1 ZINC001261688882 1322155270 /nfs/dbraw/zinc/15/52/70/1322155270.db2.gz YIDCZJYWHJLRQL-LPHOPBHVSA-N 1 0 333.451 2.046 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@H]2CCOC2)C2CC2)cc1C ZINC001265370255 1323103604 /nfs/dbraw/zinc/10/36/04/1323103604.db2.gz NIDDQXIWKQHOLZ-AEFFLSMTSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1C ZINC001317597058 1332317040 /nfs/dbraw/zinc/31/70/40/1332317040.db2.gz AEOWASCAXFMVLL-HZPDHXFCSA-N 1 0 342.443 2.078 10 10 EECERO CO[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001324285194 1333649303 /nfs/dbraw/zinc/64/93/03/1333649303.db2.gz FYDPNMRITDVQEP-SWLSCSKDSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccnc(C)n2)cc1C ZINC001329191799 1334603336 /nfs/dbraw/zinc/60/33/36/1334603336.db2.gz FXKFOUQXGXLQRZ-KBPBESRZSA-N 1 0 342.443 2.399 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@H]([NH3+])C3CCCCC3)C2)cc1 ZINC001329937893 1334744344 /nfs/dbraw/zinc/74/43/44/1334744344.db2.gz PSAJTQUKUKEAHI-CRAIPNDOSA-N 1 0 331.460 2.298 10 10 EECERO COC(=O)c1c(C[NH2+]CCc2cn[nH]c2)c2cc(F)ccc2n1C ZINC001331566963 1335038449 /nfs/dbraw/zinc/03/84/49/1335038449.db2.gz DVQYURYKVSBCID-UHFFFAOYSA-N 1 0 330.363 2.159 10 10 EECERO C[C@H]1CC[N@H+](CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000848067771 1338481248 /nfs/dbraw/zinc/48/12/48/1338481248.db2.gz BHZBLBLXIMKJBC-JTQLQIEISA-N 1 0 327.222 2.113 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+]C2COCCOC2)c1O ZINC000848551234 1338720256 /nfs/dbraw/zinc/72/02/56/1338720256.db2.gz GWHYWMXGYXZEIE-VIFPVBQESA-N 1 0 346.221 2.229 10 10 EECERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001647836626 1353404397 /nfs/dbraw/zinc/40/43/97/1353404397.db2.gz NCXSIDRDRLIQLV-ZIAGYGMSSA-N 1 0 329.404 2.452 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)CCn2cccc2)cc1C ZINC001664268695 1355126493 /nfs/dbraw/zinc/12/64/93/1355126493.db2.gz RNCLEUCGVGLWIY-UHFFFAOYSA-N 1 0 329.444 2.443 10 10 EECERO C[C@H](F)CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001699676845 1405436387 /nfs/dbraw/zinc/43/63/87/1405436387.db2.gz WOUVAFLIEIAFIZ-NSHDSACASA-N 1 0 335.383 2.449 10 10 EECERO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816607767 784148759 /nfs/dbraw/zinc/14/87/59/784148759.db2.gz FIVXPWIQEFIOET-MRXNPFEDSA-N 1 0 348.468 2.401 10 10 EECERO OC1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2F)CC1 ZINC000825137894 788453046 /nfs/dbraw/zinc/45/30/46/788453046.db2.gz FUEXNEPQFZSPFQ-KXBFYZLASA-N 1 0 334.435 2.444 10 10 EECERO COc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001440743879 1093991575 /nfs/dbraw/zinc/99/15/75/1093991575.db2.gz GVQPRYIELXCHRK-UHFFFAOYSA-N 1 0 330.384 2.349 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2n[nH]cc2F)C2CC2)cc1C ZINC001480043544 1099544761 /nfs/dbraw/zinc/54/47/61/1099544761.db2.gz IMZBDDYHZSVOPE-HNNXBMFYSA-N 1 0 346.406 2.164 10 10 EECERO Cc1cc(NC(=O)c2cccc(O)c2O)n(C2CC[NH+](C)CC2)n1 ZINC001445170321 1100428438 /nfs/dbraw/zinc/42/84/38/1100428438.db2.gz BQMVNUMSWLAPQR-UHFFFAOYSA-N 1 0 330.388 2.122 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2nc(C)c[nH]2)cc1C ZINC001507132565 1115125737 /nfs/dbraw/zinc/12/57/37/1115125737.db2.gz VBVSZBJYVXKWEV-AWEZNQCLSA-N 1 0 330.432 2.285 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)/C=C(\C)C2CC2)cc1C ZINC001507467880 1115284245 /nfs/dbraw/zinc/28/42/45/1115284245.db2.gz OPKCBCGDIAAPKC-MDNBWPLSSA-N 1 0 346.471 2.269 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2nocc2C)cc1C ZINC001568202871 1124353164 /nfs/dbraw/zinc/35/31/64/1124353164.db2.gz YEPIYLDKLSYQQS-LBPRGKRZSA-N 1 0 331.416 2.456 10 10 EECERO COc1cccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000093147802 533481209 /nfs/dbraw/zinc/48/12/09/533481209.db2.gz UYKFKPWWKAVVPR-KRWDZBQOSA-N 1 0 333.476 2.003 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000052472634 463082407 /nfs/dbraw/zinc/08/24/07/463082407.db2.gz SANCCHUWGNPDCI-FNORWQNLSA-N 1 0 345.399 2.313 10 10 EECERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)c(C)cc3O)C2=O)n(C)n1 ZINC000080526604 463328173 /nfs/dbraw/zinc/32/81/73/463328173.db2.gz NTGLRMXDCDULRB-INIZCTEOSA-N 1 0 342.443 2.336 10 10 EECERO CC[C@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000123463054 463344140 /nfs/dbraw/zinc/34/41/40/463344140.db2.gz JYPPKMMJOZVBQS-AWEZNQCLSA-N 1 0 343.265 2.043 10 10 EECERO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000361390324 465956112 /nfs/dbraw/zinc/95/61/12/465956112.db2.gz MVEGNHBWYUXFIW-OASPWFOLSA-N 1 0 339.233 2.254 10 10 EECERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(OCC)c1O ZINC000373587492 466857711 /nfs/dbraw/zinc/85/77/11/466857711.db2.gz XNTDZYRGKYHWSQ-GJZGRUSLSA-N 1 0 337.416 2.333 10 10 EECERO COC[C@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CCO1 ZINC000742157338 578128162 /nfs/dbraw/zinc/12/81/62/578128162.db2.gz KRKUCJXQMOJGSP-CQSZACIVSA-N 1 0 345.395 2.179 10 10 EECERO CN1C[C@H](CC[NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000723535618 676581727 /nfs/dbraw/zinc/58/17/27/676581727.db2.gz HRKMXKXUEDZIOZ-SNVBAGLBSA-N 1 0 327.222 2.113 10 10 EECERO COC(=O)c1c(C[N@@H+]2CCC[C@@H](O)CC2)c2cc(F)ccc2n1C ZINC000894866701 683240041 /nfs/dbraw/zinc/24/00/41/683240041.db2.gz YLYCSGQWMVTBMF-CYBMUJFWSA-N 1 0 334.391 2.451 10 10 EECERO CCN(CC)c1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1F ZINC000895772096 684718157 /nfs/dbraw/zinc/71/81/57/684718157.db2.gz BXGKWZHQEKXWEN-KRWDZBQOSA-N 1 0 349.450 2.057 10 10 EECERO NC(=O)C1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCO3)cc2)CC1 ZINC000895813100 684734103 /nfs/dbraw/zinc/73/41/03/684734103.db2.gz CHODGAHGVNFDBX-GOSISDBHSA-N 1 0 331.460 2.047 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cncc(F)c2)cc1C ZINC001266931289 1177833733 /nfs/dbraw/zinc/83/37/33/1177833733.db2.gz KZZGZLSSOJULCA-ZDUSSCGKSA-N 1 0 331.391 2.446 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)CC(C)(C)O)C(C)C)cc1C ZINC001482525176 1186477801 /nfs/dbraw/zinc/47/78/01/1186477801.db2.gz FALHOHKQCFHLOR-MRXNPFEDSA-N 1 0 336.476 2.395 10 10 EECERO C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[NH2+]1 ZINC000841989665 1188215509 /nfs/dbraw/zinc/21/55/09/1188215509.db2.gz WAHAHMUZWWKXLE-CABZTGNLSA-N 1 0 342.237 2.094 10 10 EECERO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000831218020 1206356884 /nfs/dbraw/zinc/35/68/84/1206356884.db2.gz RQAPJOFYVWSBQF-RKDXNWHRSA-N 1 0 330.226 2.080 10 10 EECERO C[NH+](C)CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccnc1 ZINC000928835163 1206426099 /nfs/dbraw/zinc/42/60/99/1206426099.db2.gz XULMUERMCHZEEE-IOBAAEILSA-N 1 0 341.411 2.315 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)CCC2(O)CCC2)cc1 ZINC000930849951 1206587471 /nfs/dbraw/zinc/58/74/71/1206587471.db2.gz RLZPXDMGCWPJAO-KRWDZBQOSA-N 1 0 336.476 2.119 10 10 EECERO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000900405387 1234321680 /nfs/dbraw/zinc/32/16/80/1234321680.db2.gz WCWWWNCCJVLLKU-HXUWFJFHSA-N 1 0 345.487 2.140 10 10 EECERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)CS1(=O)=O ZINC000827164300 1250320781 /nfs/dbraw/zinc/32/07/81/1250320781.db2.gz FRCDXFXFRNTERY-BXKDBHETSA-N 1 0 348.262 2.210 10 10 EECERO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c[nH]1 ZINC000850347522 1277191193 /nfs/dbraw/zinc/19/11/93/1277191193.db2.gz SPOCKERJINTJEG-CQSZACIVSA-N 1 0 329.400 2.178 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)cc1 ZINC000850345891 1277191202 /nfs/dbraw/zinc/19/12/02/1277191202.db2.gz NDJNQVGGUXKKBL-INIZCTEOSA-N 1 0 325.412 2.163 10 10 EECERO CCOc1cccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1O ZINC000850348239 1277192056 /nfs/dbraw/zinc/19/20/56/1277192056.db2.gz IAVYMBDBCBRYPP-NRFANRHFSA-N 1 0 325.352 2.192 10 10 EECERO O=C(NCc1ccccc1O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850758833 1277331233 /nfs/dbraw/zinc/33/12/33/1277331233.db2.gz JMXAFMJFZRJWAU-QGZVFWFLSA-N 1 0 327.384 2.375 10 10 EECERO CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000854297747 1292708888 /nfs/dbraw/zinc/70/88/88/1292708888.db2.gz WDMNZNSXIMXMDO-DOTOQJQBSA-N 1 0 346.475 2.010 10 10 EECERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1 ZINC000858488640 1294131534 /nfs/dbraw/zinc/13/15/34/1294131534.db2.gz JHNDMPGZYJNZJN-KGLIPLIRSA-N 1 0 338.415 2.068 10 10 EECERO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000862294563 1295784858 /nfs/dbraw/zinc/78/48/58/1295784858.db2.gz MVWFLCQVLMKLCT-INIZCTEOSA-N 1 0 342.443 2.283 10 10 EECERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000862549943 1295877019 /nfs/dbraw/zinc/87/70/19/1295877019.db2.gz AVXPZIMRPJNQRE-GFCCVEGCSA-N 1 0 346.880 2.115 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@H](OC)[C@H]3CCOC3)CC2)cc1 ZINC001118496016 1308867966 /nfs/dbraw/zinc/86/79/66/1308867966.db2.gz KVTWHKFJLGIDJL-LPHOPBHVSA-N 1 0 334.460 2.259 10 10 EECERO CCN(OC)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000842769201 1315770386 /nfs/dbraw/zinc/77/03/86/1315770386.db2.gz LRNDRMUEUORBDK-UHFFFAOYSA-N 1 0 333.354 2.271 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001151050307 1316438868 /nfs/dbraw/zinc/43/88/68/1316438868.db2.gz RGQXJMUNRGDUIU-UHFFFAOYSA-N 1 0 332.444 2.411 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2nccc2C)cc1C ZINC001282194049 1325647787 /nfs/dbraw/zinc/64/77/87/1325647787.db2.gz UJCBIITXNCSKEN-HOTGVXAUSA-N 1 0 344.459 2.192 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2cnoc2)cc1C ZINC001492073555 1330445833 /nfs/dbraw/zinc/44/58/33/1330445833.db2.gz RKAHFUZUJUVWTP-CQSZACIVSA-N 1 0 331.416 2.219 10 10 EECERO CC[C@H](C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001317070012 1332068886 /nfs/dbraw/zinc/06/88/86/1332068886.db2.gz WQFASYCMWUGVNZ-LSDHHAIUSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cccc(=O)[nH]2)cc1C ZINC001319175951 1332660642 /nfs/dbraw/zinc/66/06/42/1332660642.db2.gz YXZQCKXRROQOKQ-CYBMUJFWSA-N 1 0 343.427 2.260 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2[nH]cnc2C)cc1C ZINC001321445937 1333106765 /nfs/dbraw/zinc/10/67/65/1333106765.db2.gz XWCLPLQIXIIJMR-SNAWJCMRSA-N 1 0 328.416 2.111 10 10 EECERO COCc1nocc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321710011 1333146307 /nfs/dbraw/zinc/14/63/07/1333146307.db2.gz IBMTUPJVWVIRTE-CYBMUJFWSA-N 1 0 347.415 2.046 10 10 EECERO COc1ccc(C[NH2+]CC2CC(NC(=O)C[C@H](C)OC)C2)cc1C ZINC001328834391 1334531096 /nfs/dbraw/zinc/53/10/96/1334531096.db2.gz AODRLJIRZUERAQ-OOHWJJMZSA-N 1 0 334.460 2.413 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC001331582856 1335040635 /nfs/dbraw/zinc/04/06/35/1335040635.db2.gz YQJUCGISKPFZBS-CQSZACIVSA-N 1 0 341.835 2.418 10 10 EECERO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCCC4)cc2F)CC1 ZINC001332358657 1335809483 /nfs/dbraw/zinc/80/94/83/1335809483.db2.gz JRJJWSTYUGCGTH-LJQANCHMSA-N 1 0 346.494 2.342 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001676543648 1357162303 /nfs/dbraw/zinc/16/23/03/1357162303.db2.gz FMJXHNQELGSGFW-GOEBONIOSA-N 1 0 336.476 2.253 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)n2cccn2)cc1C ZINC001667983145 1355840878 /nfs/dbraw/zinc/84/08/78/1355840878.db2.gz NWUPWJVJQHBICY-HOTGVXAUSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2csc(=O)[nH]2)cc1C ZINC001668989626 1356061966 /nfs/dbraw/zinc/06/19/66/1356061966.db2.gz OKBREQMLSKKADA-ONEGZZNKSA-N 1 0 347.440 2.242 10 10 EECERO CCn1cnc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001698855765 1405112499 /nfs/dbraw/zinc/11/24/99/1405112499.db2.gz IBIBXTIFLDKDML-HNNXBMFYSA-N 1 0 344.459 2.470 10 10 EECERO CSc1cccnc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663826 790340102 /nfs/dbraw/zinc/34/01/02/790340102.db2.gz PFGAFDUBKKNPMZ-CQSZACIVSA-N 1 0 330.457 2.299 10 10 EECERO C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C(=O)[O-] ZINC000818631082 785310769 /nfs/dbraw/zinc/31/07/69/785310769.db2.gz CAOUOGFEGAMLJZ-CRAIPNDOSA-N 1 0 331.460 2.124 10 10 EECERO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000822470248 787223071 /nfs/dbraw/zinc/22/30/71/787223071.db2.gz KPNIBLXTAVXJMX-HYVNUMGLSA-N 1 0 333.501 2.372 10 10 EECERO Cc1cc(Br)c([O-])c(C[NH2+]CCOCC[NH+](C)C)c1 ZINC000788071808 788172254 /nfs/dbraw/zinc/17/22/54/788172254.db2.gz PRFWYYXGXCXBPP-UHFFFAOYSA-N 1 0 331.254 2.131 10 10 EECERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825297769 788555184 /nfs/dbraw/zinc/55/51/84/788555184.db2.gz MYNPXMKABTWSIP-JOYOIKCWSA-N 1 0 327.222 2.288 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1O ZINC000844744637 789342746 /nfs/dbraw/zinc/34/27/46/789342746.db2.gz PMMGIZFFFVZUPA-ORPWPGRKSA-N 1 0 345.420 2.037 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C)cc2=O ZINC000789450775 808015094 /nfs/dbraw/zinc/01/50/94/808015094.db2.gz HFDKRWVFMSSLGG-AGIUHOORSA-N 1 0 346.431 2.478 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2nccc(C)n2)cc1C ZINC001497180590 1102082813 /nfs/dbraw/zinc/08/28/13/1102082813.db2.gz UHEOPCMHMHLPHU-OAHLLOKOSA-N 1 0 342.443 2.400 10 10 EECERO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C(C)(C)O ZINC001459566754 1110224070 /nfs/dbraw/zinc/22/40/70/1110224070.db2.gz BMPJVJDEFNUMPC-ZDUSSCGKSA-N 1 0 332.238 2.108 10 10 EECERO COc1ccc(C[NH2+]CC2CC(NC(=O)COC(C)C)C2)cc1C ZINC001505486541 1114020616 /nfs/dbraw/zinc/02/06/16/1114020616.db2.gz XUFNOSOWTSNSIW-UHFFFAOYSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2c[nH]c(C)n2)cc1C ZINC001507060129 1115087031 /nfs/dbraw/zinc/08/70/31/1115087031.db2.gz GUNSHWDTNKHDIY-ZDUSSCGKSA-N 1 0 330.432 2.285 10 10 EECERO CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001507298836 1115180584 /nfs/dbraw/zinc/18/05/84/1115180584.db2.gz RGHFPENDHYJDAT-IUODEOHRSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cccc(=O)[nH]2)cc1C ZINC001568264137 1124393725 /nfs/dbraw/zinc/39/37/25/1124393725.db2.gz CXOPSAQIGDXFHZ-CQSZACIVSA-N 1 0 343.427 2.355 10 10 EECERO COc1ccc(N2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000374793512 277909006 /nfs/dbraw/zinc/90/90/06/277909006.db2.gz LDRWYKZVPARVMB-KRWDZBQOSA-N 1 0 331.460 2.311 10 10 EECERO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121527317 463151763 /nfs/dbraw/zinc/15/17/63/463151763.db2.gz BHVJLPHDTUQEOG-ZDUSSCGKSA-N 1 0 333.457 2.251 10 10 EECERO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC3(C)C)CC2)cc1 ZINC000152317068 463675165 /nfs/dbraw/zinc/67/51/65/463675165.db2.gz GTYMCWSQWDIJCX-SFHVURJKSA-N 1 0 345.487 2.370 10 10 EECERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929659 464174274 /nfs/dbraw/zinc/17/42/74/464174274.db2.gz SPWKQZDNDWRXGT-OXQOHEQNSA-N 1 0 347.503 2.194 10 10 EECERO CCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000282853514 464975307 /nfs/dbraw/zinc/97/53/07/464975307.db2.gz PRASFNAJFKDIJP-YJBOKZPZSA-N 1 0 335.444 2.448 10 10 EECERO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(N2CCOCC2)cc1 ZINC000090453675 534013460 /nfs/dbraw/zinc/01/34/60/534013460.db2.gz LEKYPRPFBNAXHW-YOEHRIQHSA-N 1 0 326.444 2.454 10 10 EECERO CN1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1=O ZINC000738438810 578015236 /nfs/dbraw/zinc/01/52/36/578015236.db2.gz GEHHFDKXKDKEKT-OAHLLOKOSA-N 1 0 346.431 2.296 10 10 EECERO CCOc1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(O)c1 ZINC000769342387 577575518 /nfs/dbraw/zinc/57/55/18/577575518.db2.gz LZMQYBAZQSPPGB-SFHVURJKSA-N 1 0 347.503 2.393 10 10 EECERO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000743874279 577890926 /nfs/dbraw/zinc/89/09/26/577890926.db2.gz YWQKLQZXPOCZLS-IRXDYDNUSA-N 1 0 345.487 2.464 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000745828166 577919213 /nfs/dbraw/zinc/91/92/13/577919213.db2.gz PFURWRKDWQEZIB-SFHVURJKSA-N 1 0 328.460 2.217 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000747847126 577951365 /nfs/dbraw/zinc/95/13/65/577951365.db2.gz LJTMOGNIEGTPDR-HXUWFJFHSA-N 1 0 345.487 2.261 10 10 EECERO O=C(NCc1cc(Br)ccc1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000804738546 675611480 /nfs/dbraw/zinc/61/14/80/675611480.db2.gz UMBVGMHCGBQLBO-CYBMUJFWSA-N 1 0 339.233 2.398 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000898581226 693382964 /nfs/dbraw/zinc/38/29/64/693382964.db2.gz VHPMYWARXKTNQU-YOEHRIQHSA-N 1 0 331.460 2.263 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]([NH2+]CCCF)C2CC2)cc1 ZINC001266445844 1176545032 /nfs/dbraw/zinc/54/50/32/1176545032.db2.gz ZTDFGNJEKYWKRD-AWEZNQCLSA-N 1 0 335.383 2.307 10 10 EECERO CCc1cc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001481209485 1180208118 /nfs/dbraw/zinc/20/81/18/1180208118.db2.gz PBIXTJAIDLGPRG-UHFFFAOYSA-N 1 0 330.432 2.151 10 10 EECERO C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000872199422 1198080938 /nfs/dbraw/zinc/08/09/38/1198080938.db2.gz NMOPEHSXQXWLFU-CWFSZBLJSA-N 1 0 348.487 2.086 10 10 EECERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000810065558 1199254514 /nfs/dbraw/zinc/25/45/14/1199254514.db2.gz WXAFFFCACOYTSD-AWEZNQCLSA-N 1 0 327.494 2.075 10 10 EECERO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810256673 1199405811 /nfs/dbraw/zinc/40/58/11/1199405811.db2.gz DTCVLVKKXZBZGO-GOEBONIOSA-N 1 0 340.439 2.364 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000825893125 1199729966 /nfs/dbraw/zinc/72/99/66/1199729966.db2.gz PRZKJIZZTLDOQV-ZDUSSCGKSA-N 1 0 346.880 2.258 10 10 EECERO CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000866576920 1201551922 /nfs/dbraw/zinc/55/19/22/1201551922.db2.gz BQUHCKSQPICPJC-INIZCTEOSA-N 1 0 346.452 2.120 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2ccon2)cc1C ZINC001275922508 1205589208 /nfs/dbraw/zinc/58/92/08/1205589208.db2.gz VZHCEQJDBUSGRS-UHFFFAOYSA-N 1 0 331.416 2.172 10 10 EECERO C[C@@H](NCc1cc(N)cc[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000925772130 1206152500 /nfs/dbraw/zinc/15/25/00/1206152500.db2.gz QBCALHPVLLPQSL-CYBMUJFWSA-N 1 0 330.407 2.490 10 10 EECERO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1O ZINC000932781868 1207677285 /nfs/dbraw/zinc/67/72/85/1207677285.db2.gz YOGQOFQQYMLWBK-HNNXBMFYSA-N 1 0 336.363 2.054 10 10 EECERO CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000801734754 1236107320 /nfs/dbraw/zinc/10/73/20/1236107320.db2.gz JXHQRWBNVIHBHC-QAPCUYQASA-N 1 0 335.444 2.448 10 10 EECERO CCc1cccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1O ZINC000827045311 1249653433 /nfs/dbraw/zinc/65/34/33/1249653433.db2.gz SBJDPPHHKJAUTL-UHFFFAOYSA-N 1 0 325.352 2.021 10 10 EECERO [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955262 1242700232 /nfs/dbraw/zinc/70/02/32/1242700232.db2.gz OAOFZKSWNJEEHE-JTQLQIEISA-N 1 0 335.192 2.489 10 10 EECERO COc1cc(O)c(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1OC ZINC000827649079 1248587533 /nfs/dbraw/zinc/58/75/33/1248587533.db2.gz HMRQSFVWHVIBNQ-UHFFFAOYSA-N 1 0 331.359 2.439 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001491529326 1259179779 /nfs/dbraw/zinc/17/97/79/1259179779.db2.gz DDXFVPJGHFOREB-QSOKESPWSA-N 1 0 346.471 2.413 10 10 EECERO CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000850322672 1277169238 /nfs/dbraw/zinc/16/92/38/1277169238.db2.gz CTFHYTACWGEETQ-KGLIPLIRSA-N 1 0 326.387 2.459 10 10 EECERO CCOc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(O)c1 ZINC000850348525 1277191897 /nfs/dbraw/zinc/19/18/97/1277191897.db2.gz OCHRYJWNKHZQEW-OAQYLSRUSA-N 1 0 325.352 2.192 10 10 EECERO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cn1C ZINC000850347659 1277191976 /nfs/dbraw/zinc/19/19/76/1277191976.db2.gz VMJTUWGOOUUXMW-OAHLLOKOSA-N 1 0 343.427 2.189 10 10 EECERO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1O ZINC000852314903 1292089649 /nfs/dbraw/zinc/08/96/49/1292089649.db2.gz NDJHQWSHWAPGRJ-GFCCVEGCSA-N 1 0 334.807 2.362 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)c3ccccc3CC[NH3+])C2)cc1 ZINC000852900904 1292227603 /nfs/dbraw/zinc/22/76/03/1292227603.db2.gz VEOKAYVOSCQZDP-INIZCTEOSA-N 1 0 339.439 2.205 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)C2)cc1 ZINC000855226514 1293118973 /nfs/dbraw/zinc/11/89/73/1293118973.db2.gz QFVGMKPCNICGLE-KSSFIOAISA-N 1 0 329.444 2.017 10 10 EECERO COc1ccc(N2CCN(CC[NH2+]Cc3ccnc(C)c3)CC2)cc1 ZINC000858114057 1294010350 /nfs/dbraw/zinc/01/03/50/1294010350.db2.gz UJRXKDSTPZNGFY-UHFFFAOYSA-N 1 0 340.471 2.310 10 10 EECERO CC[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1O ZINC000858488737 1294131663 /nfs/dbraw/zinc/13/16/63/1294131663.db2.gz KLJQEUTVQJWQIQ-HIFRSBDPSA-N 1 0 338.415 2.150 10 10 EECERO COCC(COC)[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000840954044 1315445251 /nfs/dbraw/zinc/44/52/51/1315445251.db2.gz FUXXKPIZQOQUDK-WAYWQWQTSA-N 1 0 347.503 2.045 10 10 EECERO CN(C)c1ccc(/C=C\CN2CC[NH2+]C[C@H]2c2nccn2C)cc1 ZINC000843121331 1315847683 /nfs/dbraw/zinc/84/76/83/1315847683.db2.gz DMFSHNGJVIOOQW-XDXAGZTOSA-N 1 0 325.460 2.146 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccnc2OC)cc1C ZINC001265818512 1323398383 /nfs/dbraw/zinc/39/83/83/1323398383.db2.gz LYZIPBGCDFVTGH-AWEZNQCLSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C2(C)CCCC2)cc1C ZINC001283784973 1326253782 /nfs/dbraw/zinc/25/37/82/1326253782.db2.gz QUIJYOACTIDYLC-INIZCTEOSA-N 1 0 334.460 2.151 10 10 EECERO CO[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001324285197 1333649227 /nfs/dbraw/zinc/64/92/27/1333649227.db2.gz FYDPNMRITDVQEP-WFASDCNBSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+][C@H](C(N)=O)c3ccc(F)cc3)C2)cc1 ZINC000849321552 1339152957 /nfs/dbraw/zinc/15/29/57/1339152957.db2.gz HVFXBVNVWBYCOF-YJBOKZPZSA-N 1 0 343.402 2.229 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cocc2C)cc1C ZINC001571586947 1343242968 /nfs/dbraw/zinc/24/29/68/1343242968.db2.gz ANWJRIUTHZYCBN-MRXNPFEDSA-N 1 0 346.427 2.128 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001676543649 1357162448 /nfs/dbraw/zinc/16/24/48/1357162448.db2.gz FMJXHNQELGSGFW-HOCLYGCPSA-N 1 0 336.476 2.253 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccsc2C)cc1C ZINC001676529945 1357161796 /nfs/dbraw/zinc/16/17/96/1357161796.db2.gz PBGNFOZQHSAURL-OAHLLOKOSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ncccc2F)cc1C ZINC001669698079 1356196247 /nfs/dbraw/zinc/19/62/47/1356196247.db2.gz JEWKIGIYZBHLDB-ZDUSSCGKSA-N 1 0 331.391 2.446 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cnn(C)c2)cc1C ZINC001675854344 1357057342 /nfs/dbraw/zinc/05/73/42/1357057342.db2.gz YWZINUYFYPTBDS-HNNXBMFYSA-N 1 0 344.459 2.425 10 10 EECERO CSc1cccnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663825 790340363 /nfs/dbraw/zinc/34/03/63/790340363.db2.gz PFGAFDUBKKNPMZ-AWEZNQCLSA-N 1 0 330.457 2.299 10 10 EECERO CCCCN(Cc1ccccc1O)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908045416 785045947 /nfs/dbraw/zinc/04/59/47/785045947.db2.gz NWZAPCXXIPNCPN-LJQANCHMSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3(C)C)C2)cc1 ZINC000818341740 785246284 /nfs/dbraw/zinc/24/62/84/785246284.db2.gz FHOZXHLSJIMBQI-YOEHRIQHSA-N 1 0 331.460 2.168 10 10 EECERO C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C(=O)[O-] ZINC000818631083 785309672 /nfs/dbraw/zinc/30/96/72/785309672.db2.gz CAOUOGFEGAMLJZ-MAUKXSAKSA-N 1 0 331.460 2.124 10 10 EECERO CN(C)c1ccc(/C=C\C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000822530288 787237246 /nfs/dbraw/zinc/23/72/46/787237246.db2.gz WMVPUCPVFHZYRP-PLNGDYQASA-N 1 0 328.460 2.255 10 10 EECERO O[C@H]1COCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000824626315 788263502 /nfs/dbraw/zinc/26/35/02/788263502.db2.gz WITLUDJXZCFUHH-HXUWFJFHSA-N 1 0 338.451 2.442 10 10 EECERO COc1ccc(N2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)cc1 ZINC000825517875 788663448 /nfs/dbraw/zinc/66/34/48/788663448.db2.gz AYWGNKLSTJVRQU-UHFFFAOYSA-N 1 0 339.443 2.273 10 10 EECERO COCC[NH2+]C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000844899443 789441375 /nfs/dbraw/zinc/44/13/75/789441375.db2.gz BUIFXWMQGHOODA-UHFFFAOYSA-N 1 0 328.840 2.255 10 10 EECERO COc1ccc(N2CCC(NC(=O)NCCC3(C[NH3+])CC3)CC2)cc1 ZINC000846142722 790073490 /nfs/dbraw/zinc/07/34/90/790073490.db2.gz VTLNSIYFXXQFAZ-UHFFFAOYSA-N 1 0 346.475 2.092 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cnn3c2CCC3)cc1C ZINC001480472904 1100280168 /nfs/dbraw/zinc/28/01/68/1100280168.db2.gz MPJMFNYXOXGLHA-AWEZNQCLSA-N 1 0 342.443 2.054 10 10 EECERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001472330384 1110552253 /nfs/dbraw/zinc/55/22/53/1110552253.db2.gz FCSKXMWJSKXAOU-JKSUJKDBSA-N 1 0 332.444 2.362 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccnc(C)n2)cc1C ZINC001569267998 1125207523 /nfs/dbraw/zinc/20/75/23/1125207523.db2.gz OXLNEXFNZWDCHM-UHFFFAOYSA-N 1 0 342.443 2.354 10 10 EECERO COc1ccc(N2CCC([NH2+]CCCN3CCCC3=O)CC2)cc1 ZINC000159519098 463290328 /nfs/dbraw/zinc/29/03/28/463290328.db2.gz BZHLFTSUSXBEBW-UHFFFAOYSA-N 1 0 331.460 2.266 10 10 EECERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)n(C)n1 ZINC000277660137 463924172 /nfs/dbraw/zinc/92/41/72/463924172.db2.gz GQQMBKBQZDNRDG-QGZVFWFLSA-N 1 0 326.444 2.422 10 10 EECERO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000764790248 577488588 /nfs/dbraw/zinc/48/85/88/577488588.db2.gz ITFXRJYWBFGNMR-LLVKDONJSA-N 1 0 342.237 2.048 10 10 EECERO O=C(NCCc1ccc(O)c(O)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000761652903 577687232 /nfs/dbraw/zinc/68/72/32/577687232.db2.gz ZBTNPXNDVUPQOP-UHFFFAOYSA-N 1 0 339.355 2.043 10 10 EECERO Cn1cncc1CCC(=O)NCc1cc(Br)ccc1O ZINC000804738183 675611943 /nfs/dbraw/zinc/61/19/43/675611943.db2.gz GDVRFUJTZWLJBK-UHFFFAOYSA-N 1 0 338.205 2.137 10 10 EECERO COCC[N@H+](C)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895713899 684695334 /nfs/dbraw/zinc/69/53/34/684695334.db2.gz VWHREHHNTAJOHK-UHFFFAOYSA-N 1 0 338.429 2.011 10 10 EECERO O=C1CC2(CCC2)[N@H+](Cc2c(O)cccc2Br)CCN1 ZINC000895927428 684777592 /nfs/dbraw/zinc/77/75/92/684777592.db2.gz RBTWZQHESUWMMH-UHFFFAOYSA-N 1 0 339.233 2.399 10 10 EECERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)c3cnon3)C2)cc1C ZINC001270813695 1185413139 /nfs/dbraw/zinc/41/31/39/1185413139.db2.gz JCQOMXRNBYGQQY-GOSISDBHSA-N 1 0 344.415 2.029 10 10 EECERO CCC(=O)NCCN1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001271898823 1186594015 /nfs/dbraw/zinc/59/40/15/1186594015.db2.gz XJTBDOSCDUYRTE-UHFFFAOYSA-N 1 0 333.476 2.084 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cccnn2)cc1C ZINC001482886015 1187802413 /nfs/dbraw/zinc/80/24/13/1187802413.db2.gz WXCYQBSIZPJONV-CQSZACIVSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CCCO3)CC2)cc1C ZINC001483720396 1190816529 /nfs/dbraw/zinc/81/65/29/1190816529.db2.gz WOLGUQXCYFBAOW-INIZCTEOSA-N 1 0 332.444 2.311 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2c(C)cnn2C)cc1C ZINC001485180442 1191679084 /nfs/dbraw/zinc/67/90/84/1191679084.db2.gz DBXOWLHIZKKRBX-CABCVRRESA-N 1 0 344.459 2.342 10 10 EECERO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1N(C)C ZINC000815014518 1197829243 /nfs/dbraw/zinc/82/92/43/1197829243.db2.gz QTUAZPXTJBNSCC-GOSISDBHSA-N 1 0 345.487 2.132 10 10 EECERO O=C(CC1([NH+]2CCOCC2)CCCC1)N1Cc2cccc(O)c2C1 ZINC000871202257 1201098623 /nfs/dbraw/zinc/09/86/23/1201098623.db2.gz BIYXFUOGWVEUQC-UHFFFAOYSA-N 1 0 330.428 2.270 10 10 EECERO CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868104325 1201744226 /nfs/dbraw/zinc/74/42/26/1201744226.db2.gz XLCMBRVUQBBXQQ-INIZCTEOSA-N 1 0 348.491 2.170 10 10 EECERO CCCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000132291485 1202095410 /nfs/dbraw/zinc/09/54/10/1202095410.db2.gz PMYPBWYMTAUQEC-UHFFFAOYSA-N 1 0 330.476 2.428 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cc(C)on2)cc1C ZINC001274709462 1205137747 /nfs/dbraw/zinc/13/77/47/1205137747.db2.gz OKZUUJAOXSPNGA-CYBMUJFWSA-N 1 0 331.416 2.137 10 10 EECERO CC[C@@H](C[N@H+](C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001276010292 1205634086 /nfs/dbraw/zinc/63/40/86/1205634086.db2.gz GASBLCCWZDPBFV-DOMZBBRYSA-N 1 0 349.435 2.324 10 10 EECERO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccnnc1 ZINC000924727828 1206025086 /nfs/dbraw/zinc/02/50/86/1206025086.db2.gz GTWOPRDIANTPAN-WMLDXEAASA-N 1 0 339.443 2.029 10 10 EECERO c1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nn1 ZINC000931005682 1206598982 /nfs/dbraw/zinc/59/89/82/1206598982.db2.gz JKORPTKQXQBJIP-IBGZPJMESA-N 1 0 341.459 2.342 10 10 EECERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1O ZINC000800541686 1234289260 /nfs/dbraw/zinc/28/92/60/1234289260.db2.gz QICCGSIZPYPJQZ-SMDDNHRTSA-N 1 0 346.880 2.162 10 10 EECERO C[C@H]([NH3+])CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827365372 1247956428 /nfs/dbraw/zinc/95/64/28/1247956428.db2.gz QJGGGNNZIYZPCO-MELADBBJSA-N 1 0 337.439 2.183 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000850487826 1277244459 /nfs/dbraw/zinc/24/44/59/1277244459.db2.gz PKLQIWFXIOLYNA-PKOBYXMFSA-N 1 0 345.487 2.117 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000851639372 1277697737 /nfs/dbraw/zinc/69/77/37/1277697737.db2.gz DQHWVEAPDOVOKS-VQIMIIECSA-N 1 0 339.439 2.480 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C[NH3+])C3CCCC3)C2)cc1 ZINC000851664026 1277708140 /nfs/dbraw/zinc/70/81/40/1277708140.db2.gz PEJQNCCHRWMJRQ-YJBOKZPZSA-N 1 0 346.475 2.091 10 10 EECERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000852351568 1292097310 /nfs/dbraw/zinc/09/73/10/1292097310.db2.gz QFXFWHKGDLGMPF-SRCQZFHVSA-N 1 0 339.407 2.390 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)c3cccc4c3C[NH2+]C4)C2)cc1 ZINC000852843730 1292213238 /nfs/dbraw/zinc/21/32/38/1292213238.db2.gz GBXRANQMVCXKKW-OAHLLOKOSA-N 1 0 337.423 2.307 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@@H](C)[C@@H]3CCCCO3)CC2)cc1 ZINC000858358340 1294095140 /nfs/dbraw/zinc/09/51/40/1294095140.db2.gz CYGOTICZLXGIMU-PXNSSMCTSA-N 1 0 347.503 2.364 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)OCCF ZINC000859091697 1294315641 /nfs/dbraw/zinc/31/56/41/1294315641.db2.gz VWOYFPGREMOCCU-UHFFFAOYSA-N 1 0 335.423 2.414 10 10 EECERO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000862483406 1295855967 /nfs/dbraw/zinc/85/59/67/1295855967.db2.gz MPVNCJTYUROPIS-WKILWMFISA-N 1 0 326.396 2.325 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2n[nH]cc2C)cc1C ZINC001277818717 1304640706 /nfs/dbraw/zinc/64/07/06/1304640706.db2.gz CFFNJVQEVCDYRW-AWEZNQCLSA-N 1 0 330.432 2.285 10 10 EECERO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000842000771 1315649675 /nfs/dbraw/zinc/64/96/75/1315649675.db2.gz JTSOLVORRQWNBD-NXEZZACHSA-N 1 0 344.253 2.422 10 10 EECERO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1O ZINC000842884874 1315791605 /nfs/dbraw/zinc/79/16/05/1315791605.db2.gz UVTUOKSKVASNLT-OLZOCXBDSA-N 1 0 333.409 2.278 10 10 EECERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673371 1322151656 /nfs/dbraw/zinc/15/16/56/1322151656.db2.gz RQEXVYMDWLSFLL-GOSISDBHSA-N 1 0 330.476 2.475 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)COCC(F)F)C2)cc1C ZINC001265550396 1323215845 /nfs/dbraw/zinc/21/58/45/1323215845.db2.gz CICZIYVLOSOHOW-OKILXGFUSA-N 1 0 342.386 2.022 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[C@H](C)C2)cc1C ZINC001279848955 1324014218 /nfs/dbraw/zinc/01/42/18/1324014218.db2.gz WIVHQQZKMQSXMD-YJBOKZPZSA-N 1 0 348.487 2.350 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cccs2)cc1C ZINC001284381488 1326530037 /nfs/dbraw/zinc/53/00/37/1326530037.db2.gz QEGNVQNSUCIWJF-OAHLLOKOSA-N 1 0 348.468 2.288 10 10 EECERO COc1c([O-])c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959263 1331618031 /nfs/dbraw/zinc/61/80/31/1331618031.db2.gz DDOKFPQUNITBIU-QGZVFWFLSA-N 1 0 335.404 2.275 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NCC[N@H+](CCCF)C2CC2)cc1 ZINC001317560229 1332297840 /nfs/dbraw/zinc/29/78/40/1332297840.db2.gz IJCRTZRLBXEQMM-UHFFFAOYSA-N 1 0 335.383 2.403 10 10 EECERO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCOC3(C)C)cc2F)CC1 ZINC001328085087 1334393685 /nfs/dbraw/zinc/39/36/85/1334393685.db2.gz MAXDWXNZBAYVCB-MRXNPFEDSA-N 1 0 335.467 2.482 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H](C)CN3CCOCC3)CC2)cc1 ZINC001616489155 1352329203 /nfs/dbraw/zinc/32/92/03/1352329203.db2.gz LEQJIDQJQMNLSR-GOSISDBHSA-N 1 0 347.503 2.176 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cocn3)CCC2)cc1C ZINC001673151934 1356649833 /nfs/dbraw/zinc/64/98/33/1356649833.db2.gz LADGFRNOENYLBK-UHFFFAOYSA-N 1 0 329.400 2.434 10 10 EECERO COC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000843568585 759711780 /nfs/dbraw/zinc/71/17/80/759711780.db2.gz GCFHROTZLMTPBX-UHFFFAOYSA-N 1 0 343.471 2.014 10 10 EECERO COc1ccc(O)c(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000693429308 759813430 /nfs/dbraw/zinc/81/34/30/759813430.db2.gz AEKRYYJXAOMONF-UHFFFAOYSA-N 1 0 326.194 2.187 10 10 EECERO CCN1C[C@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)OC1=O ZINC000846824064 790599837 /nfs/dbraw/zinc/59/98/37/790599837.db2.gz GSWCWPNJMFYXCI-CVEARBPZSA-N 1 0 334.416 2.214 10 10 EECERO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822570778 787273512 /nfs/dbraw/zinc/27/35/12/787273512.db2.gz QWQKJVIMGOKRMY-GOSISDBHSA-N 1 0 345.487 2.354 10 10 EECERO OC[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCc2ccccc21 ZINC000846012205 790022155 /nfs/dbraw/zinc/02/21/55/790022155.db2.gz WUZZKVFCCXKUFP-IBGZPJMESA-N 1 0 327.380 2.087 10 10 EECERO C[N@H+](CCNC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000805183022 811173937 /nfs/dbraw/zinc/17/39/37/811173937.db2.gz AHEUDSCMVNPQJN-UHFFFAOYSA-N 1 0 342.237 2.048 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001479490530 1098563043 /nfs/dbraw/zinc/56/30/43/1098563043.db2.gz KHCYQFZLKKKTHG-KRWDZBQOSA-N 1 0 348.491 2.257 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2c(C)noc2C)cc1C ZINC001497980855 1106733165 /nfs/dbraw/zinc/73/31/65/1106733165.db2.gz DZWRWWQYEHMWGF-CYBMUJFWSA-N 1 0 345.443 2.445 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cnn(C)c2C)cc1C ZINC001507045269 1115079137 /nfs/dbraw/zinc/07/91/37/1115079137.db2.gz COEGCHYYXHRDDL-CQSZACIVSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ncoc2C)cc1C ZINC001568164841 1124335502 /nfs/dbraw/zinc/33/55/02/1124335502.db2.gz MVHNMPWVOANADI-LBPRGKRZSA-N 1 0 331.416 2.456 10 10 EECERO NC(=O)[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000069777997 203048886 /nfs/dbraw/zinc/04/88/86/203048886.db2.gz OKUOLTRYDVAXBW-AWEZNQCLSA-N 1 0 335.201 2.471 10 10 EECERO c1cnn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cn2)c1 ZINC000048710719 132429409 /nfs/dbraw/zinc/42/94/09/132429409.db2.gz VMWCFDXFPKCVIR-UHFFFAOYSA-N 1 0 349.438 2.394 10 10 EECERO CCOc1ccc(O)c(CN2CCO[C@@H](c3n[nH]c(CC)n3)C2)c1 ZINC000129196830 462693483 /nfs/dbraw/zinc/69/34/83/462693483.db2.gz SPLBBQFVEYBWNE-OAHLLOKOSA-N 1 0 332.404 2.045 10 10 EECERO COc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000185071129 463746021 /nfs/dbraw/zinc/74/60/21/463746021.db2.gz WJILKJAKDWDSCM-UHFFFAOYSA-N 1 0 347.390 2.061 10 10 EECERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000185993170 463918931 /nfs/dbraw/zinc/91/89/31/463918931.db2.gz VTQLLVYGECSLHJ-ONGXEEELSA-N 1 0 337.221 2.412 10 10 EECERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1O ZINC000175661179 464596986 /nfs/dbraw/zinc/59/69/86/464596986.db2.gz HEVBAGSCIOHRBF-CYBMUJFWSA-N 1 0 332.379 2.238 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000266714524 464797223 /nfs/dbraw/zinc/79/72/23/464797223.db2.gz JXQMWXJXTLXALG-JGNQBTRVSA-N 1 0 345.399 2.454 10 10 EECERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155709248 490678750 /nfs/dbraw/zinc/67/87/50/490678750.db2.gz WQCPLWYXEPNHCA-QFBILLFUSA-N 1 0 340.471 2.441 10 10 EECERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2)C1 ZINC000732917189 577197236 /nfs/dbraw/zinc/19/72/36/577197236.db2.gz GNMCBFPJIKOLNB-QGZVFWFLSA-N 1 0 345.487 2.173 10 10 EECERO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734851335 577330324 /nfs/dbraw/zinc/33/03/24/577330324.db2.gz ZRAONIPVPNZBDU-LJQANCHMSA-N 1 0 342.439 2.355 10 10 EECERO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769429313 577577829 /nfs/dbraw/zinc/57/78/29/577577829.db2.gz XSFYOBIAKQRGJZ-KRWDZBQOSA-N 1 0 346.452 2.312 10 10 EECERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1 ZINC000757657809 577862028 /nfs/dbraw/zinc/86/20/28/577862028.db2.gz QZIGTHWNGOGTNR-GOEBONIOSA-N 1 0 342.443 2.276 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc[nH]1 ZINC000092532466 677699125 /nfs/dbraw/zinc/69/91/25/677699125.db2.gz CMGVRELTGSYFMI-UHFFFAOYSA-N 1 0 338.455 2.477 10 10 EECERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1-c1cccc(Cl)c1 ZINC000262346692 685564307 /nfs/dbraw/zinc/56/43/07/685564307.db2.gz UEPPOOWDBABCRB-CXAGYDPISA-N 1 0 347.846 2.058 10 10 EECERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000262223434 684553284 /nfs/dbraw/zinc/55/32/84/684553284.db2.gz JRAUYFDHTYGUFZ-QFBILLFUSA-N 1 0 341.455 2.021 10 10 EECERO COc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000927040048 693201965 /nfs/dbraw/zinc/20/19/65/693201965.db2.gz SXHMKXVTTCHUAJ-WODVXLOZSA-N 1 0 325.430 2.160 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2c[nH]nc2C)cc1C ZINC001267140026 1178314563 /nfs/dbraw/zinc/31/45/63/1178314563.db2.gz NRCSLQXMRBVOPV-CYBMUJFWSA-N 1 0 330.432 2.333 10 10 EECERO Cc1oncc1C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001481322437 1181032736 /nfs/dbraw/zinc/03/27/36/1181032736.db2.gz XOWCEBMSCKQQDV-UHFFFAOYSA-N 1 0 344.375 2.007 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCCO2)C2CC2)cc1C ZINC001269039045 1183912480 /nfs/dbraw/zinc/91/24/80/1183912480.db2.gz NVYXXEKJVQWDIP-WMZOPIPTSA-N 1 0 332.444 2.167 10 10 EECERO COC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848536516 1186196889 /nfs/dbraw/zinc/19/68/89/1186196889.db2.gz QUDAUJGDRCWWCC-MWLCHTKSSA-N 1 0 348.237 2.211 10 10 EECERO COc1cc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c(O)cc1C ZINC000905702411 1189873056 /nfs/dbraw/zinc/87/30/56/1189873056.db2.gz VXIIVOFQXIXSCL-KSSFIOAISA-N 1 0 334.416 2.420 10 10 EECERO COc1cc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c(O)cc1C ZINC000905702410 1189873487 /nfs/dbraw/zinc/87/34/87/1189873487.db2.gz VXIIVOFQXIXSCL-KDOFPFPSSA-N 1 0 334.416 2.420 10 10 EECERO C[N@H+](CC(=O)NCc1cc(Br)ccc1O)C1CCC1 ZINC000863915876 1197922543 /nfs/dbraw/zinc/92/25/43/1197922543.db2.gz LCQCTJSBZORRFI-UHFFFAOYSA-N 1 0 327.222 2.255 10 10 EECERO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000866573824 1201551224 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2.242 10 10 EECERO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CO1 ZINC000850060025 1277010639 /nfs/dbraw/zinc/01/06/39/1277010639.db2.gz PQYSPDZOUHQHPU-XYJFISCASA-N 1 0 331.460 2.045 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850330978 1277176198 /nfs/dbraw/zinc/17/61/98/1277176198.db2.gz TVNQNWBJQRCXIG-MJSCVDMRSA-N 1 0 332.444 2.309 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1O ZINC000850518026 1277256239 /nfs/dbraw/zinc/25/62/39/1277256239.db2.gz IQTFMMGEWFEKJY-SECBINFHSA-N 1 0 341.351 2.029 10 10 EECERO O=C(NCc1ccccc1O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850758831 1277331191 /nfs/dbraw/zinc/33/11/91/1277331191.db2.gz JMXAFMJFZRJWAU-KRWDZBQOSA-N 1 0 327.384 2.375 10 10 EECERO CC[N@H+](CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000852064038 1291977740 /nfs/dbraw/zinc/97/77/40/1291977740.db2.gz IRDPPJJUEUEYDG-HNNXBMFYSA-N 1 0 346.475 2.057 10 10 EECERO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852179985 1292028910 /nfs/dbraw/zinc/02/89/10/1292028910.db2.gz DGZVPPMPFIUFKW-MRXNPFEDSA-N 1 0 346.475 2.057 10 10 EECERO CC(C)[C@H]([NH3+])CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000852868173 1292221905 /nfs/dbraw/zinc/22/19/05/1292221905.db2.gz PBOXEEPCRHBGCG-CQSZACIVSA-N 1 0 332.473 2.419 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000855225414 1293117862 /nfs/dbraw/zinc/11/78/62/1293117862.db2.gz MZUJUWYQRBYDDA-MRXNPFEDSA-N 1 0 343.471 2.265 10 10 EECERO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000861684427 1295504660 /nfs/dbraw/zinc/50/46/60/1295504660.db2.gz DHDGTZXPZSKYEY-HOTGVXAUSA-N 1 0 346.475 2.057 10 10 EECERO CCc1cccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1O ZINC000862536456 1295871654 /nfs/dbraw/zinc/87/16/54/1295871654.db2.gz MZBJYJVQHIPALG-IBGZPJMESA-N 1 0 341.455 2.340 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC(C)=C[C@H](C)C1)cc2=O ZINC000797526538 1304764851 /nfs/dbraw/zinc/76/48/51/1304764851.db2.gz TVAIPFBPZNSSNI-NSHDSACASA-N 1 0 330.388 2.010 10 10 EECERO C[C@@H]([NH2+]CCF)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001279047150 1319081271 /nfs/dbraw/zinc/08/12/71/1319081271.db2.gz VEOZITJETWDOIQ-YPMHNXCESA-N 1 0 335.383 2.259 10 10 EECERO CC[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001283724421 1326220621 /nfs/dbraw/zinc/22/06/21/1326220621.db2.gz SOEFULMZCMPBPA-WFASDCNBSA-N 1 0 349.435 2.324 10 10 EECERO CCOc1nc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001321909471 1333177944 /nfs/dbraw/zinc/17/79/44/1333177944.db2.gz RUUAOBRDDABPRF-ZDUSSCGKSA-N 1 0 347.415 2.298 10 10 EECERO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cccc(O)c3O)C2)cc1 ZINC001558018215 1342463062 /nfs/dbraw/zinc/46/30/62/1342463062.db2.gz AUNYEOCVYBXSPS-HNNXBMFYSA-N 1 0 326.396 2.411 10 10 EECERO C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001597915651 1349933326 /nfs/dbraw/zinc/93/33/26/1349933326.db2.gz RXKDIRLBGQWVSF-DOTOQJQBSA-N 1 0 349.450 2.134 10 10 EECERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001647836625 1353404322 /nfs/dbraw/zinc/40/43/22/1353404322.db2.gz NCXSIDRDRLIQLV-UONOGXRCSA-N 1 0 329.404 2.452 10 10 EECERO CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC001648535091 1353433155 /nfs/dbraw/zinc/43/31/55/1353433155.db2.gz FCQIYDVQIGXISQ-CYBMUJFWSA-N 1 0 332.404 2.376 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2n[nH]cc2C)cc1C ZINC001666545774 1355541607 /nfs/dbraw/zinc/54/16/07/1355541607.db2.gz FJYXTTHZYYFKRS-GFCCVEGCSA-N 1 0 330.432 2.191 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2cncc2C)cc1C ZINC001698839118 1405100355 /nfs/dbraw/zinc/10/03/55/1405100355.db2.gz NAHVWSLURSKGRE-HNNXBMFYSA-N 1 0 344.459 2.145 10 10 EECERO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000919657381 770159733 /nfs/dbraw/zinc/15/97/33/770159733.db2.gz JPHJLPOYKUQOEU-IAGOWNOFSA-N 1 0 347.459 2.177 10 10 EECERO C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000816921843 784335294 /nfs/dbraw/zinc/33/52/94/784335294.db2.gz IOMNPOGZHGRYMI-WBVHZDCISA-N 1 0 332.444 2.242 10 10 EECERO CCS(=O)(=O)C1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706872868 785803662 /nfs/dbraw/zinc/80/36/62/785803662.db2.gz RJBUEEPUOFVVMU-UHFFFAOYSA-N 1 0 348.262 2.212 10 10 EECERO OCC1CCN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)CC1 ZINC000921583404 789802348 /nfs/dbraw/zinc/80/23/48/789802348.db2.gz OPLXATPOCDPXEO-UHFFFAOYSA-N 1 0 346.450 2.351 10 10 EECERO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC23CC[NH+](CC2)C3)c1 ZINC000913637195 794009384 /nfs/dbraw/zinc/00/93/84/794009384.db2.gz BKWWIFJLQRNLRO-UHFFFAOYSA-N 1 0 337.423 2.485 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922812767 801956941 /nfs/dbraw/zinc/95/69/41/801956941.db2.gz SXVQEQUMKVJUKR-LJQANCHMSA-N 1 0 346.471 2.341 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cnn(C)c2C)cc1C ZINC001495619923 1101346792 /nfs/dbraw/zinc/34/67/92/1101346792.db2.gz GNKAPRKTLWYQLI-ZDUSSCGKSA-N 1 0 344.459 2.201 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)n2cccn2)cc1C ZINC001480749750 1107048261 /nfs/dbraw/zinc/04/82/61/1107048261.db2.gz MDXUHOWZFVDAII-JKSUJKDBSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2[nH]c(=O)[nH]c2C)cc1C ZINC001480771845 1107085269 /nfs/dbraw/zinc/08/52/69/1107085269.db2.gz OTANVKOOPWEXIL-GFCCVEGCSA-N 1 0 346.431 2.039 10 10 EECERO COc1ccc(N2CCN(C(=O)C3([NH+](C)C)CCCC3)CC2)cc1F ZINC001465931811 1110426594 /nfs/dbraw/zinc/42/65/94/1110426594.db2.gz OZOVPOLSVWMQQL-UHFFFAOYSA-N 1 0 349.450 2.357 10 10 EECERO C=C/C=C/CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001539284394 1124052324 /nfs/dbraw/zinc/05/23/24/1124052324.db2.gz LANLVIUYOYZQNV-SNAWJCMRSA-N 1 0 343.471 2.456 10 10 EECERO CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001567928547 1124186329 /nfs/dbraw/zinc/18/63/29/1124186329.db2.gz KSKZWKWOGRTFAG-OAHLLOKOSA-N 1 0 347.419 2.032 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1nccn1CC ZINC001568738187 1124751981 /nfs/dbraw/zinc/75/19/81/1124751981.db2.gz COLNIINNCPMNSH-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO CCOc1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001569007667 1125037583 /nfs/dbraw/zinc/03/75/83/1125037583.db2.gz KJSVEXBRDPHLJC-CYBMUJFWSA-N 1 0 347.415 2.298 10 10 EECERO CCOc1ccc(O)c(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c1 ZINC000092079767 237034917 /nfs/dbraw/zinc/03/49/17/237034917.db2.gz TWMXRKBAWQYGML-OAHLLOKOSA-N 1 0 334.460 2.476 10 10 EECERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000123463261 463343581 /nfs/dbraw/zinc/34/35/81/463343581.db2.gz JYPPKMMJOZVBQS-CQSZACIVSA-N 1 0 343.265 2.043 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552530 463843285 /nfs/dbraw/zinc/84/32/85/463843285.db2.gz WAWUJRSNXKZLQH-KBPBESRZSA-N 1 0 330.432 2.454 10 10 EECERO C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293681653 464417377 /nfs/dbraw/zinc/41/73/77/464417377.db2.gz RLHDKNMZMPMAJB-UHFFFAOYSA-N 1 0 329.847 2.300 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C)CC[C@H]1C)cc2=O ZINC000245454485 464484092 /nfs/dbraw/zinc/48/40/92/464484092.db2.gz SAWBIPMSOBYMCG-NWDGAFQWSA-N 1 0 332.404 2.232 10 10 EECERO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)nc(N2CCOCC2)c1 ZINC000274835926 464757314 /nfs/dbraw/zinc/75/73/14/464757314.db2.gz VGXZYMKJBZPSMB-UHFFFAOYSA-N 1 0 325.412 2.143 10 10 EECERO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529356465 467852363 /nfs/dbraw/zinc/85/23/63/467852363.db2.gz FEXAZJWNPLWEBE-QGZVFWFLSA-N 1 0 329.444 2.355 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC2)C1 ZINC000615766247 469310359 /nfs/dbraw/zinc/31/03/59/469310359.db2.gz OCPJCUPEFSNTBS-UHFFFAOYSA-N 1 0 327.428 2.224 10 10 EECERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000113607196 533997098 /nfs/dbraw/zinc/99/70/98/533997098.db2.gz PUFDDBWDESTXKJ-DZGCQCFKSA-N 1 0 334.439 2.270 10 10 EECERO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085791587 528147592 /nfs/dbraw/zinc/14/75/92/528147592.db2.gz HDLICHJOGLFWCG-OAHLLOKOSA-N 1 0 340.489 2.276 10 10 EECERO CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1CCOC ZINC000117399051 529368431 /nfs/dbraw/zinc/36/84/31/529368431.db2.gz WTFYCRAZJYFDAI-QGZVFWFLSA-N 1 0 348.491 2.005 10 10 EECERO CCN(CC(=O)OC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000728708505 576520176 /nfs/dbraw/zinc/52/01/76/576520176.db2.gz CDAZBDIAQFTBPJ-UHFFFAOYSA-N 1 0 331.368 2.327 10 10 EECERO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000777219800 577475213 /nfs/dbraw/zinc/47/52/13/577475213.db2.gz NLXJRIXCLKZVHR-LSDHHAIUSA-N 1 0 329.824 2.264 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1=COCC1 ZINC000769122228 577570312 /nfs/dbraw/zinc/57/03/12/577570312.db2.gz OMRXPZCLLSSMQE-UHFFFAOYSA-N 1 0 341.455 2.139 10 10 EECERO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C(C)C)C3)CC2)cc1 ZINC000755996933 577835972 /nfs/dbraw/zinc/83/59/72/577835972.db2.gz RDYKIBMLLNMQBF-KRWDZBQOSA-N 1 0 345.487 2.322 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC000326996583 678618743 /nfs/dbraw/zinc/61/87/43/678618743.db2.gz JDXBAZOTEYTIKM-LZQZEXGQSA-N 1 0 343.471 2.265 10 10 EECERO COC(=O)c1c(C[N@H+](C)C[C@@H](O)C2CC2)c2cc(F)ccc2n1C ZINC000894776660 683083701 /nfs/dbraw/zinc/08/37/01/683083701.db2.gz JDGLGHUWXYSBGL-MRXNPFEDSA-N 1 0 334.391 2.307 10 10 EECERO CCn1cnc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001268669706 1183596911 /nfs/dbraw/zinc/59/69/11/1183596911.db2.gz MXXWEJAUJMNKNM-CQSZACIVSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cnns2)cc1C ZINC001482813397 1187735638 /nfs/dbraw/zinc/73/56/38/1187735638.db2.gz IERGAQDFTZVKBI-LBPRGKRZSA-N 1 0 334.445 2.153 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001485125257 1191662421 /nfs/dbraw/zinc/66/24/21/1191662421.db2.gz AERBVSPRMAAECS-KBPBESRZSA-N 1 0 330.432 2.332 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2ccnc2)cc1C ZINC001485177268 1191677772 /nfs/dbraw/zinc/67/77/72/1191677772.db2.gz NUPPZCJXBWAWSA-HZPDHXFCSA-N 1 0 344.459 2.273 10 10 EECERO CCN(C)c1ccc(C[N@@H+]2CCNC(=O)CC23CCOCC3)cc1 ZINC000872285122 1198129058 /nfs/dbraw/zinc/12/90/58/1198129058.db2.gz TZZLELHVQAGZQT-UHFFFAOYSA-N 1 0 331.460 2.014 10 10 EECERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ncnn3C(C)C)C2)cc1 ZINC000865608417 1198296408 /nfs/dbraw/zinc/29/64/08/1198296408.db2.gz IWNYDJFTKUXRSW-HNNXBMFYSA-N 1 0 329.448 2.484 10 10 EECERO C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000925843864 1206159359 /nfs/dbraw/zinc/15/93/59/1206159359.db2.gz HBVUGPXJOSSHSV-CYBMUJFWSA-N 1 0 327.419 2.397 10 10 EECERO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnnc1 ZINC000926561039 1206227592 /nfs/dbraw/zinc/22/75/92/1206227592.db2.gz XJGHMEPZCOSFCT-GFCCVEGCSA-N 1 0 334.370 2.442 10 10 EECERO CNC(=O)C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000795600993 1214392037 /nfs/dbraw/zinc/39/20/37/1214392037.db2.gz IJTVLCMOJYKFNY-CQSZACIVSA-N 1 0 328.368 2.088 10 10 EECERO COc1cc(O)c(C[N@@H+]2CCOc3ccc(N)cc3C2)cc1OC ZINC000903945147 1242640376 /nfs/dbraw/zinc/64/03/76/1242640376.db2.gz QXNXIPRQWMCYTF-UHFFFAOYSA-N 1 0 330.384 2.386 10 10 EECERO Cc1cccc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1O ZINC000826894130 1248113120 /nfs/dbraw/zinc/11/31/20/1248113120.db2.gz JNVWDLLRCBOXPZ-RYUDHWBXSA-N 1 0 337.363 2.108 10 10 EECERO Oc1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000826942566 1248172767 /nfs/dbraw/zinc/17/27/67/1248172767.db2.gz QVTMDYNYHXGZJA-GOSISDBHSA-N 1 0 330.403 2.388 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000850345845 1277189894 /nfs/dbraw/zinc/18/98/94/1277189894.db2.gz MFNUIAPSKWAAGW-INIZCTEOSA-N 1 0 325.412 2.163 10 10 EECERO Cc1cc(C[NH+]2CCN(Cc3ccnn3C)CC2)ccc1N(C)C ZINC001198741167 1285314709 /nfs/dbraw/zinc/31/47/09/1285314709.db2.gz DSXBDELRMLSCOM-UHFFFAOYSA-N 1 0 327.476 2.112 10 10 EECERO COc1ccc(C[NH2+][C@@]2(CO)CCCN(C(=O)CC3CC3)C2)cc1C ZINC001273848001 1286752043 /nfs/dbraw/zinc/75/20/43/1286752043.db2.gz FLYGEWAPAROMDO-FQEVSTJZSA-N 1 0 346.471 2.247 10 10 EECERO CC(C)OC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000852777189 1292195464 /nfs/dbraw/zinc/19/54/64/1292195464.db2.gz KGSWZFUJACRDOQ-SFHVURJKSA-N 1 0 333.476 2.388 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccccc1O ZINC000858565348 1294155927 /nfs/dbraw/zinc/15/59/27/1294155927.db2.gz MXMDREHKPHYKTN-NVXWUHKLSA-N 1 0 327.428 2.339 10 10 EECERO CN(C)c1cc(F)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1F ZINC001119517381 1309096424 /nfs/dbraw/zinc/09/64/24/1309096424.db2.gz SHIMVDHHWMGOFF-CQSZACIVSA-N 1 0 340.414 2.394 10 10 EECERO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnn(-c3ccccc3)n2)cc1 ZINC000841042934 1315461104 /nfs/dbraw/zinc/46/11/04/1315461104.db2.gz MYMCAWDGKAKRSY-IBGZPJMESA-N 1 0 336.443 2.123 10 10 EECERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000842640618 1315742477 /nfs/dbraw/zinc/74/24/77/1315742477.db2.gz ARYQBLYSTXJBRN-INIZCTEOSA-N 1 0 342.361 2.381 10 10 EECERO CN(C)c1ccc(/C=C\CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000843121328 1315847644 /nfs/dbraw/zinc/84/76/44/1315847644.db2.gz DMFSHNGJVIOOQW-PYTPGESOSA-N 1 0 325.460 2.146 10 10 EECERO COc1ccc(N2CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC2)cc1 ZINC001143190852 1315884408 /nfs/dbraw/zinc/88/44/08/1315884408.db2.gz JNRBSPBZOFVQEP-OAHLLOKOSA-N 1 0 333.476 2.368 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)c1 ZINC000843432994 1315914601 /nfs/dbraw/zinc/91/46/01/1315914601.db2.gz TUMIDADILLUABM-HNNXBMFYSA-N 1 0 346.349 2.291 10 10 EECERO Cc1cc(Br)c(O)c(CN[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000848714736 1338745592 /nfs/dbraw/zinc/74/55/92/1338745592.db2.gz UITBABWVLAHAOC-VIFPVBQESA-N 1 0 327.144 2.442 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([NH2+]C/C=C\Cl)C2)cc1 ZINC001265461634 1323168054 /nfs/dbraw/zinc/16/80/54/1323168054.db2.gz UXRAJQZFLXDDKM-RFECADTPSA-N 1 0 335.795 2.406 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC001326421850 1334090787 /nfs/dbraw/zinc/09/07/87/1334090787.db2.gz YHZRMOBTQOGMFQ-QZTJIDSGSA-N 1 0 331.460 2.251 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001351162311 1337791288 /nfs/dbraw/zinc/79/12/88/1337791288.db2.gz FTNPVGOBBOFXSZ-HZPDHXFCSA-N 1 0 331.460 2.170 10 10 EECERO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848531368 1338715443 /nfs/dbraw/zinc/71/54/43/1338715443.db2.gz QHWDZGWRKSQICI-LKFCYVNXSA-N 1 0 348.237 2.211 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)C2)cc1 ZINC000849321549 1339152674 /nfs/dbraw/zinc/15/26/74/1339152674.db2.gz HVFXBVNVWBYCOF-CRAIPNDOSA-N 1 0 343.402 2.229 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n2cccn2)cc1C ZINC001669443897 1356160574 /nfs/dbraw/zinc/16/05/74/1356160574.db2.gz OIRSEOUADRSSCM-CVEARBPZSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)n2cccn2)cc1C ZINC001698741890 1405040576 /nfs/dbraw/zinc/04/05/76/1405040576.db2.gz YFJVDZBUQWHEOK-GOEBONIOSA-N 1 0 344.459 2.303 10 10 EECERO CN1CC[NH+](C[C@H](O)CNc2ccc(Nc3ccccc3)cc2)CC1 ZINC000819395608 785528151 /nfs/dbraw/zinc/52/81/51/785528151.db2.gz NKFNDJJOCXFEJA-HXUWFJFHSA-N 1 0 340.471 2.450 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)cc1 ZINC000912292656 788090257 /nfs/dbraw/zinc/09/02/57/788090257.db2.gz ODJZQGMEWJZWHB-IEZWGBDMSA-N 1 0 343.471 2.407 10 10 EECERO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000824454366 788176542 /nfs/dbraw/zinc/17/65/42/788176542.db2.gz FLECJZNQWBHTEU-JTQLQIEISA-N 1 0 328.771 2.459 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2ccc(F)cn2)cc1 ZINC000844400959 789066703 /nfs/dbraw/zinc/06/67/03/789066703.db2.gz GSMHEFGWQYGUGK-SFHVURJKSA-N 1 0 333.407 2.331 10 10 EECERO Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000846103043 790063060 /nfs/dbraw/zinc/06/30/60/790063060.db2.gz KTMRAFVLKHXNGE-LDLUMPKVSA-N 1 0 330.247 2.168 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C)[C@H]3C)CC2)cc1 ZINC000916226002 797557154 /nfs/dbraw/zinc/55/71/54/797557154.db2.gz MOGGFPQDPXJKLG-KSSFIOAISA-N 1 0 346.475 2.056 10 10 EECERO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2O1 ZINC000922871210 802102612 /nfs/dbraw/zinc/10/26/12/802102612.db2.gz RAJZHAHMFGRFEB-OHFIKTQHSA-N 1 0 346.471 2.420 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@H](C)CC[NH+](C)C)CC2)cc1 ZINC001441933579 1096124657 /nfs/dbraw/zinc/12/46/57/1096124657.db2.gz NLOMKYPJHNWRTC-MRXNPFEDSA-N 1 0 333.476 2.322 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cnccn2)cc1C ZINC001495993294 1101908906 /nfs/dbraw/zinc/90/89/06/1101908906.db2.gz RIGZCSVEMGIAJD-CQSZACIVSA-N 1 0 328.416 2.044 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ncccn2)cc1C ZINC001480799905 1107139086 /nfs/dbraw/zinc/13/90/86/1107139086.db2.gz QQEBPSGDEZJQFM-CQSZACIVSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2csnn2)cc1C ZINC001507104896 1115110783 /nfs/dbraw/zinc/11/07/83/1115110783.db2.gz RRZYPCHXZRZSKG-LBPRGKRZSA-N 1 0 334.445 2.105 10 10 EECERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001540567309 1124086673 /nfs/dbraw/zinc/08/66/73/1124086673.db2.gz HPDXGITXHHIMHG-RTBURBONSA-N 1 0 345.487 2.090 10 10 EECERO CC[C@@H](CNC(=O)Cc1cnoc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567973721 1124212817 /nfs/dbraw/zinc/21/28/17/1124212817.db2.gz LKBSHNYUHCPZSM-INIZCTEOSA-N 1 0 331.416 2.219 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856006 462910879 /nfs/dbraw/zinc/91/08/79/462910879.db2.gz NZIOENMMUXNXIY-ZWKOTPCHSA-N 1 0 334.485 2.230 10 10 EECERO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000121461270 463139839 /nfs/dbraw/zinc/13/98/39/463139839.db2.gz YMVHUEGFIKTMBH-UHFFFAOYSA-N 1 0 328.460 2.369 10 10 EECERO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)COc2ccccc2O1 ZINC000527734522 467664439 /nfs/dbraw/zinc/66/44/39/467664439.db2.gz KBPTWZVYLIOSRI-SFHVURJKSA-N 1 0 329.352 2.441 10 10 EECERO COC(=O)CN(CCn1cc(C)cn1)Cc1cc(Cl)ccc1O ZINC000732202833 577156193 /nfs/dbraw/zinc/15/61/93/577156193.db2.gz GIISYJOSTZOEIS-UHFFFAOYSA-N 1 0 337.807 2.226 10 10 EECERO S=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CC1 ZINC000768295358 577553336 /nfs/dbraw/zinc/55/33/36/577553336.db2.gz HXUDPRNYWMWLOT-UHFFFAOYSA-N 1 0 344.528 2.345 10 10 EECERO CO[C@H](C)C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000741054411 578112342 /nfs/dbraw/zinc/11/23/42/578112342.db2.gz NFRQYNUFIDPYDX-MRXNPFEDSA-N 1 0 335.492 2.456 10 10 EECERO CCN(CC)c1ccc(CNC(=O)C2C[NH+](C3CCOCC3)C2)cc1 ZINC000895778651 684721632 /nfs/dbraw/zinc/72/16/32/684721632.db2.gz BXRNTKFCMFYRRP-UHFFFAOYSA-N 1 0 345.487 2.260 10 10 EECERO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000895813910 684734077 /nfs/dbraw/zinc/73/40/77/684734077.db2.gz KBCCSJKGMDNSSG-IEBWSBKVSA-N 1 0 343.471 2.045 10 10 EECERO O=C(N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896268808 684923205 /nfs/dbraw/zinc/92/32/05/684923205.db2.gz ALFRTMKSVUSNRN-PXNSSMCTSA-N 1 0 344.455 2.386 10 10 EECERO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(Br)cc1O ZINC000927138219 693391731 /nfs/dbraw/zinc/39/17/31/693391731.db2.gz ZRVPFOWZUZKKSL-XPTSAGLGSA-N 1 0 340.221 2.272 10 10 EECERO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(Br)cc1O ZINC000927138217 693391865 /nfs/dbraw/zinc/39/18/65/693391865.db2.gz ZRVPFOWZUZKKSL-OTYXRUKQSA-N 1 0 340.221 2.272 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccnnc2)C2CC2)cc1C ZINC001269119928 1183975876 /nfs/dbraw/zinc/97/58/76/1183975876.db2.gz FATLWSNGYFHWIU-QGZVFWFLSA-N 1 0 340.427 2.092 10 10 EECERO C[C@H](C[NH2+]CCOC1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483200220 1189090501 /nfs/dbraw/zinc/09/05/01/1189090501.db2.gz NEXYHYZAKUVMFB-GFCCVEGCSA-N 1 0 347.419 2.126 10 10 EECERO CC(=O)c1cc(Cl)cc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c1O ZINC000880999361 1201619666 /nfs/dbraw/zinc/61/96/66/1201619666.db2.gz MFJQLAXQPJTJML-LBPRGKRZSA-N 1 0 348.834 2.430 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)CCC2(O)CCC2)cc1 ZINC000930849952 1206587587 /nfs/dbraw/zinc/58/75/87/1206587587.db2.gz RLZPXDMGCWPJAO-QGZVFWFLSA-N 1 0 336.476 2.119 10 10 EECERO Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000800541685 1234289293 /nfs/dbraw/zinc/28/92/93/1234289293.db2.gz QICCGSIZPYPJQZ-RISCZKNCSA-N 1 0 346.880 2.162 10 10 EECERO Cc1cc(Br)c(O)c(CN2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000802656426 1237932647 /nfs/dbraw/zinc/93/26/47/1237932647.db2.gz LJHVDMSUYJVDPL-TXEJJXNPSA-N 1 0 328.206 2.063 10 10 EECERO COc1cc(O)c(C[NH2+]Cc2ccc(CNC(C)=O)cc2)cc1OC ZINC000826822489 1248084392 /nfs/dbraw/zinc/08/43/92/1248084392.db2.gz VGEIJSAJSMWXDK-UHFFFAOYSA-N 1 0 344.411 2.335 10 10 EECERO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826851083 1248091644 /nfs/dbraw/zinc/09/16/44/1248091644.db2.gz CMZYYGANGPXNJL-LLVKDONJSA-N 1 0 337.221 2.268 10 10 EECERO CCOc1ccc(O)c(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000850341702 1277186107 /nfs/dbraw/zinc/18/61/07/1277186107.db2.gz DKSUWUGMDRABIM-UHFFFAOYSA-N 1 0 327.446 2.095 10 10 EECERO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396647 1277214745 /nfs/dbraw/zinc/21/47/45/1277214745.db2.gz ZPODCUZLYCKKDW-QZTJIDSGSA-N 1 0 332.444 2.134 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)c1O ZINC000850492888 1277245774 /nfs/dbraw/zinc/24/57/74/1277245774.db2.gz GWMLKZKDCHSQMQ-BTKVJGODSA-N 1 0 325.352 2.362 10 10 EECERO COc1cccc([C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)c1O ZINC000850492892 1277245842 /nfs/dbraw/zinc/24/58/42/1277245842.db2.gz GWMLKZKDCHSQMQ-JLTPVHFHSA-N 1 0 325.352 2.362 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C3CCC(O)CC3)CC2)cc1C ZINC001483730769 1277915472 /nfs/dbraw/zinc/91/54/72/1277915472.db2.gz XFPPYTYOAXXBNU-UHFFFAOYSA-N 1 0 346.471 2.293 10 10 EECERO COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1C ZINC000858306826 1294077464 /nfs/dbraw/zinc/07/74/64/1294077464.db2.gz TVACKEPKRISYRQ-LJQANCHMSA-N 1 0 341.455 2.389 10 10 EECERO CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(C)cc1O ZINC000858465377 1294124595 /nfs/dbraw/zinc/12/45/95/1294124595.db2.gz FBRHPPFAUZTREJ-XLIONFOSSA-N 1 0 348.487 2.357 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)n2cccn2)cc1C ZINC001277760522 1304358577 /nfs/dbraw/zinc/35/85/77/1304358577.db2.gz VOPVZUIWYLKEQR-CVEARBPZSA-N 1 0 344.459 2.398 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2n[nH]cc2C)cc1C ZINC001277818718 1304640453 /nfs/dbraw/zinc/64/04/53/1304640453.db2.gz CFFNJVQEVCDYRW-CQSZACIVSA-N 1 0 330.432 2.285 10 10 EECERO COc1cc(O)c(C[NH+]2CCN(c3cnccc3C)CC2)cc1OC ZINC000798961663 1305123649 /nfs/dbraw/zinc/12/36/49/1305123649.db2.gz BCEMNVSUAMOTND-UHFFFAOYSA-N 1 0 343.427 2.435 10 10 EECERO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000841881343 1315630279 /nfs/dbraw/zinc/63/02/79/1315630279.db2.gz QOKKSRYZAPAGQO-SMDDNHRTSA-N 1 0 326.391 2.110 10 10 EECERO O=S1(=O)C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)Oc2ccccc21 ZINC000842883528 1315791387 /nfs/dbraw/zinc/79/13/87/1315791387.db2.gz KAAGOMZEJOQGJW-UONOGXRCSA-N 1 0 345.420 2.204 10 10 EECERO c1cncc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000843118394 1315847191 /nfs/dbraw/zinc/84/71/91/1315847191.db2.gz YTEUBTRJGKUSCR-HXUWFJFHSA-N 1 0 338.455 2.065 10 10 EECERO CCOc1cccc(C[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)c1O ZINC000843432584 1315914896 /nfs/dbraw/zinc/91/48/96/1315914896.db2.gz NUPIMTPAOAAWNF-HNNXBMFYSA-N 1 0 346.349 2.291 10 10 EECERO CC[C@H](CNC(=O)c1cc(C)n[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318501649 1332552765 /nfs/dbraw/zinc/55/27/65/1332552765.db2.gz HJZLUNHURGDCAF-OAHLLOKOSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2c(C)coc2C)cc1C ZINC001320215649 1332849570 /nfs/dbraw/zinc/84/95/70/1332849570.db2.gz TWJLBDVAQGIXEK-MRXNPFEDSA-N 1 0 346.427 2.094 10 10 EECERO C[NH+]1CCC(n2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)cn2)CC1 ZINC001329652876 1334690952 /nfs/dbraw/zinc/69/09/52/1334690952.db2.gz NOKBLTCEIDIBPT-HYXAFXHYSA-N 1 0 342.399 2.213 10 10 EECERO CC/C(C)=C/C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001677074852 1357275873 /nfs/dbraw/zinc/27/58/73/1357275873.db2.gz RMSCHKFIMLDPIN-ZGUWOUCSSA-N 1 0 334.460 2.269 10 10 EECERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)c1O ZINC001655203496 1354167761 /nfs/dbraw/zinc/16/77/61/1354167761.db2.gz VAWMMAXYSFIDCA-JTQLQIEISA-N 1 0 334.351 2.079 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cn[nH]c2)C2CC2)cc1C ZINC001661108103 1354591821 /nfs/dbraw/zinc/59/18/21/1354591821.db2.gz ZYJKLGNLHDJKMT-INIZCTEOSA-N 1 0 328.416 2.025 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2csc(=O)[nH]2)cc1C ZINC001668989625 1356061770 /nfs/dbraw/zinc/06/17/70/1356061770.db2.gz OKBREQMLSKKADA-ARJAWSKDSA-N 1 0 347.440 2.242 10 10 EECERO COc1ccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001669344306 1356147344 /nfs/dbraw/zinc/14/73/44/1356147344.db2.gz GDXZPBKAMQWRDZ-CQSZACIVSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2c(C)cnn2C)cc1C ZINC001698758720 1405047488 /nfs/dbraw/zinc/04/74/88/1405047488.db2.gz BQXQEJVTRXYZDQ-CYBMUJFWSA-N 1 0 344.459 2.201 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2c(C)cnn2C)cc1C ZINC001698852180 1405109446 /nfs/dbraw/zinc/10/94/46/1405109446.db2.gz NVBLRLYUEYZHID-HNNXBMFYSA-N 1 0 344.459 2.296 10 10 EECERO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000918839792 769414177 /nfs/dbraw/zinc/41/41/77/769414177.db2.gz VTEKCERTGQQJTP-MRXNPFEDSA-N 1 0 338.455 2.253 10 10 EECERO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846673331 790366114 /nfs/dbraw/zinc/36/61/14/790366114.db2.gz RNTXKAXSRKAKLN-MSOLQXFVSA-N 1 0 345.512 2.387 10 10 EECERO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000818964047 785330953 /nfs/dbraw/zinc/33/09/53/785330953.db2.gz IXCHZNCITSYOKB-INIZCTEOSA-N 1 0 344.377 2.403 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O ZINC000824655444 788258396 /nfs/dbraw/zinc/25/83/96/788258396.db2.gz WJMQWEOUYRGYFI-NILFDRSVSA-N 1 0 341.835 2.416 10 10 EECERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846046854 790036250 /nfs/dbraw/zinc/03/62/50/790036250.db2.gz DDQNFLMZZZIPSJ-JKSUJKDBSA-N 1 0 349.431 2.167 10 10 EECERO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000786944267 806957963 /nfs/dbraw/zinc/95/79/63/806957963.db2.gz DXYKZZSOABKKNG-SECBINFHSA-N 1 0 348.262 2.240 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cnn3c2CCC3)cc1C ZINC001480472907 1100280679 /nfs/dbraw/zinc/28/06/79/1100280679.db2.gz MPJMFNYXOXGLHA-CQSZACIVSA-N 1 0 342.443 2.054 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001507207239 1115151738 /nfs/dbraw/zinc/15/17/38/1115151738.db2.gz SZPWIZLKFWGFAO-PBHICJAKSA-N 1 0 334.460 2.007 10 10 EECERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC001522677064 1119459196 /nfs/dbraw/zinc/45/91/96/1119459196.db2.gz IOPVAKYFAIENFE-WCQGTBRESA-N 1 0 332.425 2.383 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(C)cc2)cc1C ZINC001568588911 1124619808 /nfs/dbraw/zinc/61/98/08/1124619808.db2.gz ATJFMTUNCHQZDD-GOSISDBHSA-N 1 0 342.439 2.193 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2ccc(F)cn2)cc1C ZINC001569065166 1125075494 /nfs/dbraw/zinc/07/54/94/1125075494.db2.gz HHJOQMAANVRXAG-AWEZNQCLSA-N 1 0 345.418 2.375 10 10 EECERO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000089948926 462751679 /nfs/dbraw/zinc/75/16/79/462751679.db2.gz NDTTYKHHJFSVSY-ICSRJNTNSA-N 1 0 345.487 2.260 10 10 EECERO Cc1ccc(CC(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)cc1 ZINC000095970944 463119444 /nfs/dbraw/zinc/11/94/44/463119444.db2.gz QIFMUFJDMPVFQC-UHFFFAOYSA-N 1 0 341.430 2.403 10 10 EECERO NC(=O)[C@H]([NH2+]Cc1cc(Br)ccc1O)c1ccccc1 ZINC000069777999 463324619 /nfs/dbraw/zinc/32/46/19/463324619.db2.gz OKUOLTRYDVAXBW-CQSZACIVSA-N 1 0 335.201 2.471 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246014255 464534654 /nfs/dbraw/zinc/53/46/54/464534654.db2.gz ZBIUAWSJNQONGS-HLLBOEOZSA-N 1 0 334.460 2.474 10 10 EECERO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000366494514 465764422 /nfs/dbraw/zinc/76/44/22/465764422.db2.gz ZEKSENMSMSSSPW-YLJYHZDGSA-N 1 0 346.471 2.293 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CC[C@H](CNc3ccccn3)C1)OCO2 ZINC000092812866 534449175 /nfs/dbraw/zinc/44/91/75/534449175.db2.gz NKZVMSHQENMDIK-CYBMUJFWSA-N 1 0 327.384 2.450 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H]3C)cc2F)CC1 ZINC000106584846 529153126 /nfs/dbraw/zinc/15/31/26/529153126.db2.gz ZOQMZRSUOMULRN-CJNGLKHVSA-N 1 0 334.439 2.175 10 10 EECERO C[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000764790249 577488563 /nfs/dbraw/zinc/48/85/63/577488563.db2.gz ITFXRJYWBFGNMR-NSHDSACASA-N 1 0 342.237 2.048 10 10 EECERO CC(C)OCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768532805 577557974 /nfs/dbraw/zinc/55/79/74/577557974.db2.gz HSGKQHCXKWCEOU-UHFFFAOYSA-N 1 0 345.487 2.260 10 10 EECERO CSCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768544074 577558235 /nfs/dbraw/zinc/55/82/35/577558235.db2.gz OPIJEUKSJIISTC-UHFFFAOYSA-N 1 0 333.501 2.198 10 10 EECERO Cc1ccnc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)n1 ZINC000758244466 577619896 /nfs/dbraw/zinc/61/98/96/577619896.db2.gz DELSVQIVBNUESM-KRWDZBQOSA-N 1 0 341.411 2.296 10 10 EECERO C/C=C\C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000763360183 577719808 /nfs/dbraw/zinc/71/98/08/577719808.db2.gz BASAZHWOIBCPFS-GJEJWFRCSA-N 1 0 345.487 2.426 10 10 EECERO COC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000175854503 676091152 /nfs/dbraw/zinc/09/11/52/676091152.db2.gz NIZANQNGWFJMJY-AWEZNQCLSA-N 1 0 348.237 2.040 10 10 EECERO COc1cccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895070007 683690120 /nfs/dbraw/zinc/69/01/20/683690120.db2.gz AKUUARVFVUKUAG-UHFFFAOYSA-N 1 0 329.400 2.188 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cc(C)n[nH]2)C2CC2)cc1C ZINC001670449444 1176795687 /nfs/dbraw/zinc/79/56/87/1176795687.db2.gz DXWYEEVYGAWERM-QGZVFWFLSA-N 1 0 342.443 2.333 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2cscn2)cc1C ZINC001481288827 1180880834 /nfs/dbraw/zinc/88/08/34/1180880834.db2.gz LMWVWXAGZGOUOC-UHFFFAOYSA-N 1 0 333.457 2.251 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H](C)CO3)CC2)cc1C ZINC001269455790 1184280126 /nfs/dbraw/zinc/28/01/26/1184280126.db2.gz LPPWPOYECLIAMA-GUYCJALGSA-N 1 0 332.444 2.167 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CO[C@H](C)C1 ZINC001482934099 1187853973 /nfs/dbraw/zinc/85/39/73/1187853973.db2.gz BOOCKFOUKSRZNW-WBVHZDCISA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001483063153 1188379737 /nfs/dbraw/zinc/37/97/37/1188379737.db2.gz TVGVKOURVASKTG-PSXMBLMMSA-N 1 0 344.455 2.333 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cncc(F)c2)cc1C ZINC001483219118 1189352946 /nfs/dbraw/zinc/35/29/46/1189352946.db2.gz HDQCRWDXFKYNNS-ZDUSSCGKSA-N 1 0 331.391 2.446 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC[N@@H+]1C ZINC000864948816 1198013497 /nfs/dbraw/zinc/01/34/97/1198013497.db2.gz BGGUUKUBSZNUBQ-RBUKOAKNSA-N 1 0 345.487 2.464 10 10 EECERO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C1COCCOC1 ZINC000814172572 1199324995 /nfs/dbraw/zinc/32/49/95/1199324995.db2.gz SZGGGNROJQXKIA-UHFFFAOYSA-N 1 0 329.396 2.476 10 10 EECERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)[C@@H](O)C1 ZINC000866494981 1201531571 /nfs/dbraw/zinc/53/15/71/1201531571.db2.gz KRJBHOUHHQUEAV-DZKIICNBSA-N 1 0 348.443 2.339 10 10 EECERO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc2ccccc2c1O ZINC000866520998 1201539784 /nfs/dbraw/zinc/53/97/84/1201539784.db2.gz JLIBCHSLMQJHID-ORAYPTAESA-N 1 0 342.395 2.417 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2C[C@H](C)OC(C)(C)C2)c1 ZINC000930217697 1206542334 /nfs/dbraw/zinc/54/23/34/1206542334.db2.gz ZIRZCJLQNZSAKM-STQMWFEESA-N 1 0 336.432 2.077 10 10 EECERO COc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OC ZINC000903984398 1242868040 /nfs/dbraw/zinc/86/80/40/1242868040.db2.gz VNHVUMUMWNBDIQ-WDEREUQCSA-N 1 0 334.338 2.121 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn4c3CCC4)C2)cc1 ZINC000850331412 1277180122 /nfs/dbraw/zinc/18/01/22/1277180122.db2.gz YKSJTWOYNXYZOB-OAHLLOKOSA-N 1 0 326.444 2.454 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000850429124 1277222385 /nfs/dbraw/zinc/22/23/85/1277222385.db2.gz PPUHNYJKZPNRQG-QGZVFWFLSA-N 1 0 345.487 2.118 10 10 EECERO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc2ccccc2c1O ZINC000850508476 1277254341 /nfs/dbraw/zinc/25/43/41/1277254341.db2.gz NQKWZYMIJDHFLP-LIRRHRJNSA-N 1 0 331.412 2.364 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001198827838 1285360736 /nfs/dbraw/zinc/36/07/36/1285360736.db2.gz HWCZRVWTIHTUIM-FQEVSTJZSA-N 1 0 345.487 2.404 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852785280 1292197842 /nfs/dbraw/zinc/19/78/42/1292197842.db2.gz DZORTBCECGBFRN-OAHLLOKOSA-N 1 0 339.443 2.017 10 10 EECERO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2([NH3+])CC2)cc1 ZINC000852882600 1292223995 /nfs/dbraw/zinc/22/39/95/1292223995.db2.gz MTFROXUYCQIIKZ-KRWDZBQOSA-N 1 0 331.460 2.142 10 10 EECERO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000856596120 1293578063 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COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3[NH3+])CC2)cc1F ZINC001326687724 1334143306 /nfs/dbraw/zinc/14/33/06/1334143306.db2.gz KGFKQFNSHPPTOY-HOCLYGCPSA-N 1 0 335.423 2.000 10 10 EECERO COCC1(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001329085273 1334582666 /nfs/dbraw/zinc/58/26/66/1334582666.db2.gz JDCTUVPZQCFSMS-HUUCEWRRSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@]2(C)CCOC2)cc1C ZINC001331592521 1335042116 /nfs/dbraw/zinc/04/21/16/1335042116.db2.gz CJBFHDIVMOKUEA-HNAYVOBHSA-N 1 0 334.460 2.367 10 10 EECERO CCOC1CC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567013879 1342678217 /nfs/dbraw/zinc/67/82/17/1342678217.db2.gz RQXVFTLWIXXIQS-OOHWJJMZSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)c2cn[nH]c2)cc1C ZINC001571356699 1343195259 /nfs/dbraw/zinc/19/52/59/1343195259.db2.gz WTROWYORRHDZIO-KRWDZBQOSA-N 1 0 342.443 2.367 10 10 EECERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)c1O ZINC001655203497 1354167911 /nfs/dbraw/zinc/16/79/11/1354167911.db2.gz VAWMMAXYSFIDCA-SNVBAGLBSA-N 1 0 334.351 2.079 10 10 EECERO C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O ZINC001659815212 1354387252 /nfs/dbraw/zinc/38/72/52/1354387252.db2.gz BOTQTNCLBJXRPL-SNVBAGLBSA-N 1 0 326.356 2.263 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2cccnc2)cc1C ZINC001668780883 1356004846 /nfs/dbraw/zinc/00/48/46/1356004846.db2.gz WXUDLCYSMHRVRF-ONEGZZNKSA-N 1 0 339.439 2.403 10 10 EECERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)c3cc[nH]n3)C2)cc1C ZINC001671708851 1356399890 /nfs/dbraw/zinc/39/98/90/1356399890.db2.gz FZAKJEJQZGTIRJ-IBGZPJMESA-N 1 0 342.443 2.369 10 10 EECERO C[NH+](C)CCn1nccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000908442823 785417060 /nfs/dbraw/zinc/41/70/60/785417060.db2.gz SFSKXHHYJNQCIH-UHFFFAOYSA-N 1 0 346.412 2.323 10 10 EECERO COc1cccc(O)c1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000824516525 788198838 /nfs/dbraw/zinc/19/88/38/788198838.db2.gz MHHQLFJDKVDQBN-LBPRGKRZSA-N 1 0 333.409 2.062 10 10 EECERO COc1cc(O)c(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1OC ZINC000846124120 790058581 /nfs/dbraw/zinc/05/85/81/790058581.db2.gz ZDCFSTGFCCVZKW-AWEZNQCLSA-N 1 0 344.411 2.275 10 10 EECERO O=C1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CN1CC1CC1 ZINC000716794149 796454808 /nfs/dbraw/zinc/45/48/08/796454808.db2.gz LHJOQRUBZXJOHM-ZDUSSCGKSA-N 1 0 339.233 2.255 10 10 EECERO CCn1ncc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001497949300 1103396976 /nfs/dbraw/zinc/39/69/76/1103396976.db2.gz OPWCSHGGIPEFNP-CQSZACIVSA-N 1 0 344.459 2.437 10 10 EECERO CCc1oncc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001493713573 1108551411 /nfs/dbraw/zinc/55/14/11/1108551411.db2.gz ODTKMYMJZILYRR-UHFFFAOYSA-N 1 0 331.416 2.416 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2cnoc2)cc1C ZINC001568293133 1124408314 /nfs/dbraw/zinc/40/83/14/1124408314.db2.gz CTRNZBAWANWONY-AWEZNQCLSA-N 1 0 331.416 2.171 10 10 EECERO COc1ccnc(NC2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000191689423 237267033 /nfs/dbraw/zinc/26/70/33/237267033.db2.gz DRXRMKQUDQILOO-UHFFFAOYSA-N 1 0 332.379 2.406 10 10 EECERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000191866811 533485786 /nfs/dbraw/zinc/48/57/86/533485786.db2.gz CLVKZWZXAXAWRR-ZWKOTPCHSA-N 1 0 331.460 2.012 10 10 EECERO CCOc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1O ZINC000093150277 276379658 /nfs/dbraw/zinc/37/96/58/276379658.db2.gz SQNOXFPZWSWFGG-UHFFFAOYSA-N 1 0 328.416 2.293 10 10 EECERO c1cn2c(n1)[C@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000089787901 462719400 /nfs/dbraw/zinc/71/94/00/462719400.db2.gz BMVDGRQLAAICGT-KRWDZBQOSA-N 1 0 326.444 2.387 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000121592279 463164605 /nfs/dbraw/zinc/16/46/05/463164605.db2.gz FHFAXCVSZOJDBS-UHFFFAOYSA-N 1 0 344.459 2.232 10 10 EECERO CCn1cc(CN2CCC[N@H+](Cc3cccc(OC)c3O)CC2)cn1 ZINC000121638102 463171133 /nfs/dbraw/zinc/17/11/33/463171133.db2.gz KVJZUOFDRDBCNZ-UHFFFAOYSA-N 1 0 344.459 2.325 10 10 EECERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000185972883 463915766 /nfs/dbraw/zinc/91/57/66/463915766.db2.gz DEWOZLGMRBVTOB-JQWIXIFHSA-N 1 0 329.238 2.136 10 10 EECERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2=O)n(C)n1 ZINC000186328208 463977777 /nfs/dbraw/zinc/97/77/77/463977777.db2.gz NDMYGPAHBWEDSC-WFASDCNBSA-N 1 0 346.406 2.419 10 10 EECERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293541905 464410538 /nfs/dbraw/zinc/41/05/38/464410538.db2.gz CWSLJPGLAJHWGM-OAHLLOKOSA-N 1 0 336.823 2.275 10 10 EECERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000190642896 464693837 /nfs/dbraw/zinc/69/38/37/464693837.db2.gz CMNXTJWRSAYETM-CQSZACIVSA-N 1 0 338.423 2.466 10 10 EECERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000299462621 465757124 /nfs/dbraw/zinc/75/71/24/465757124.db2.gz AFBWRARTTDOMJC-QGZVFWFLSA-N 1 0 327.428 2.364 10 10 EECERO NC(=O)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000776942216 577470133 /nfs/dbraw/zinc/47/01/33/577470133.db2.gz VFZGDHUPKRKGON-IBGZPJMESA-N 1 0 345.487 2.437 10 10 EECERO COc1cccc(O)c1C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000767742989 577544027 /nfs/dbraw/zinc/54/40/27/577544027.db2.gz XVYFBCDSCICCIX-CQSZACIVSA-N 1 0 330.432 2.201 10 10 EECERO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCCC3(C)C)CC2)cc1 ZINC000754028766 577798882 /nfs/dbraw/zinc/79/88/82/577798882.db2.gz AQDFURORQNKYSH-GOSISDBHSA-N 1 0 347.503 2.053 10 10 EECERO C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000863544734 690718031 /nfs/dbraw/zinc/71/80/31/690718031.db2.gz ABNZTUBSDZESKJ-SECBINFHSA-N 1 0 335.217 2.310 10 10 EECERO COCC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000787333877 692443365 /nfs/dbraw/zinc/44/33/65/692443365.db2.gz DMVJTQWTVIIPCO-CYBMUJFWSA-N 1 0 330.222 2.392 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H](C)CO3)CC2)cc1C ZINC001269455643 1184279711 /nfs/dbraw/zinc/27/97/11/1184279711.db2.gz LPPWPOYECLIAMA-DYVFJYSZSA-N 1 0 332.444 2.167 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@]23C[C@H]2COC3)C(C)C)cc1C ZINC001482530491 1186520374 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2.319 10 10 EECERO O=C1O[C@@H](C[NH2+]Cc2ccc(Br)cc2O)CN1C1CC1 ZINC000826538744 1204221208 /nfs/dbraw/zinc/22/12/08/1204221208.db2.gz JHGVKYMEDPPBCS-LBPRGKRZSA-N 1 0 341.205 2.228 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccnnc2C)cc1C ZINC001274747850 1205152287 /nfs/dbraw/zinc/15/22/87/1205152287.db2.gz GZJCGGXQOFETLK-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@H]3CCC4(COC4)O3)CC2)cc1 ZINC000929315039 1206464320 /nfs/dbraw/zinc/46/43/20/1206464320.db2.gz HYTASSANPUHOIH-GOSISDBHSA-N 1 0 332.444 2.155 10 10 EECERO C[C@@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930209857 1206541567 /nfs/dbraw/zinc/54/15/67/1206541567.db2.gz JMBRXXGBSOFPQK-APWZRJJASA-N 1 0 348.487 2.230 10 10 EECERO CN(c1ccc(CNC(=O)CCOC2C[NH2+]C2)cc1)C1CCCCC1 ZINC000827821338 1248803915 /nfs/dbraw/zinc/80/39/15/1248803915.db2.gz VVHZWYAEXQZBKI-UHFFFAOYSA-N 1 0 345.487 2.450 10 10 EECERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)CS1(=O)=O ZINC000827164304 1250320134 /nfs/dbraw/zinc/32/01/34/1250320134.db2.gz FRCDXFXFRNTERY-JOYOIKCWSA-N 1 0 348.262 2.210 10 10 EECERO CNC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000850345666 1277189896 /nfs/dbraw/zinc/18/98/96/1277189896.db2.gz HJYJUDRPFCAMMW-QGZVFWFLSA-N 1 0 339.439 2.423 10 10 EECERO COC[C@@H](CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000850485525 1277243199 /nfs/dbraw/zinc/24/31/99/1277243199.db2.gz KRTFVVUWGGKGQU-GDBMZVCRSA-N 1 0 340.439 2.364 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)cc1 ZINC000855224968 1293117825 /nfs/dbraw/zinc/11/78/25/1293117825.db2.gz GZCQYXLLPKAMBO-CQSZACIVSA-N 1 0 340.427 2.165 10 10 EECERO Cc1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccn1 ZINC000858104292 1294007327 /nfs/dbraw/zinc/00/73/27/1294007327.db2.gz FSENMVPFBYAYNJ-GOSISDBHSA-N 1 0 338.455 2.382 10 10 EECERO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858135689 1294018063 /nfs/dbraw/zinc/01/80/63/1294018063.db2.gz CHTACWDGCUTEOA-JVPBZIDWSA-N 1 0 348.512 2.446 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858494569 1294133889 /nfs/dbraw/zinc/13/38/89/1294133889.db2.gz KXQMXNQHMINELD-NQMVMOMDSA-N 1 0 343.221 2.078 10 10 EECERO CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858822850 1294237368 /nfs/dbraw/zinc/23/73/68/1294237368.db2.gz PZCBINVPGFHEIW-SKVWCYETSA-N 1 0 333.388 2.358 10 10 EECERO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840941262 1315442060 /nfs/dbraw/zinc/44/20/60/1315442060.db2.gz VARWMDDXRPBGSC-ZIAGYGMSSA-N 1 0 343.851 2.200 10 10 EECERO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCC(=O)N1 ZINC000840976580 1315450174 /nfs/dbraw/zinc/45/01/74/1315450174.db2.gz OFWULYJKNWQRDV-INIZCTEOSA-N 1 0 349.450 2.151 10 10 EECERO Nc1ccc(CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000841955906 1315644171 /nfs/dbraw/zinc/64/41/71/1315644171.db2.gz RAIDMTHORPQMGI-SFHVURJKSA-N 1 0 330.476 2.471 10 10 EECERO Cc1ccc(C)n1-c1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1 ZINC001157007204 1318344096 /nfs/dbraw/zinc/34/40/96/1318344096.db2.gz UJZBFGSNEPICKA-KRWDZBQOSA-N 1 0 339.439 2.297 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccnnc2)C2CC2)cc1C ZINC001265372985 1323104089 /nfs/dbraw/zinc/10/40/89/1323104089.db2.gz UIPPJXBHOWRJHG-KRWDZBQOSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](OC)C3CC3)C2)cc1C ZINC001265476020 1323174222 /nfs/dbraw/zinc/17/42/22/1323174222.db2.gz WGFMKRZODOIKLC-BQFCYCMXSA-N 1 0 332.444 2.165 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCOC2)C2CC2)cc1C ZINC001276554170 1324311829 /nfs/dbraw/zinc/31/18/29/1324311829.db2.gz XKRLZFNFESHCMB-ROUUACIJSA-N 1 0 346.471 2.415 10 10 EECERO CC[C@@H](C)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001281600152 1325345631 /nfs/dbraw/zinc/34/56/31/1325345631.db2.gz HFHGGXQNFQJHIC-OAHLLOKOSA-N 1 0 348.487 2.493 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cnn(C)c2)C2CC2)cc1C ZINC001317019986 1332046944 /nfs/dbraw/zinc/04/69/44/1332046944.db2.gz WCZDJAUHSSAMSJ-QGZVFWFLSA-N 1 0 342.443 2.035 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2n[nH]cc2F)cc1C ZINC001317406363 1332216857 /nfs/dbraw/zinc/21/68/57/1332216857.db2.gz SYNLDDPTJHVXSG-GFCCVEGCSA-N 1 0 334.395 2.164 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)[C@H]2CCCO2)cc1C ZINC001317633741 1332339344 /nfs/dbraw/zinc/33/93/44/1332339344.db2.gz REBIPTOXNVMDMY-MAUKXSAKSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)c2cnon2)C2CC2)cc1C ZINC001318726494 1332583659 /nfs/dbraw/zinc/58/36/59/1332583659.db2.gz GMOMBXJDWZOOJL-SFHVURJKSA-N 1 0 344.415 2.075 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@]23CCOC3)cc1C ZINC001322780248 1333324965 /nfs/dbraw/zinc/32/49/65/1333324965.db2.gz OOHSLWNJCWDCEO-XLIONFOSSA-N 1 0 346.471 2.368 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccnc(C)n2)cc1C ZINC001329191800 1334603165 /nfs/dbraw/zinc/60/31/65/1334603165.db2.gz FXKFOUQXGXLQRZ-KGLIPLIRSA-N 1 0 342.443 2.399 10 10 EECERO COCC1(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001329415582 1334646016 /nfs/dbraw/zinc/64/60/16/1334646016.db2.gz VFTQVJVSWOTWKT-UHFFFAOYSA-N 1 0 335.467 2.484 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2C=CCCC2)cc1C ZINC001331738789 1335065080 /nfs/dbraw/zinc/06/50/80/1335065080.db2.gz IZARDDTWJRXTLG-AEFFLSMTSA-N 1 0 346.471 2.317 10 10 EECERO C[C@H](NC(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001332516006 1335839569 /nfs/dbraw/zinc/83/95/69/1335839569.db2.gz JHFRMLFOBGBUAH-BMGDILEWSA-N 1 0 331.460 2.218 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+]CCCOCCO)c1O ZINC000848543506 1338718245 /nfs/dbraw/zinc/71/82/45/1338718245.db2.gz GNQRKEOQBUMLIY-SNVBAGLBSA-N 1 0 348.237 2.213 10 10 EECERO CO[C@@H](C)C[N@H+](C)CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001570218037 1343034379 /nfs/dbraw/zinc/03/43/79/1343034379.db2.gz IMCCPUQAPCXCBX-ZDUSSCGKSA-N 1 0 349.435 2.278 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2cscn2)cc1C ZINC001662357275 1354786396 /nfs/dbraw/zinc/78/63/96/1354786396.db2.gz ZZIUCEQOMSNLQF-CYBMUJFWSA-N 1 0 333.457 2.297 10 10 EECERO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)on1 ZINC001699391754 1405346423 /nfs/dbraw/zinc/34/64/23/1405346423.db2.gz UEMQRZVGORIXOU-LLVKDONJSA-N 1 0 344.375 2.054 10 10 EECERO CCC(C)(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918839876 769413607 /nfs/dbraw/zinc/41/36/07/769413607.db2.gz WLIKUZYLYDPNBD-UHFFFAOYSA-N 1 0 331.460 2.060 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC000818941299 785333309 /nfs/dbraw/zinc/33/33/09/785333309.db2.gz HLMUPLVJDHRLOE-MRXNPFEDSA-N 1 0 337.464 2.070 10 10 EECERO OC1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2F)CC1 ZINC000825137887 788452912 /nfs/dbraw/zinc/45/29/12/788452912.db2.gz FUEXNEPQFZSPFQ-BEFAXECRSA-N 1 0 334.435 2.444 10 10 EECERO OCC[C@]1(C[NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000825341200 788580226 /nfs/dbraw/zinc/58/02/26/788580226.db2.gz BUOKEHLCBOOWEW-CQSZACIVSA-N 1 0 330.222 2.033 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC001445726899 1091545932 /nfs/dbraw/zinc/54/59/32/1091545932.db2.gz BJMMYDKHXCVTLJ-QGZVFWFLSA-N 1 0 345.487 2.464 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2snnc2C)cc1C ZINC001496000749 1101918061 /nfs/dbraw/zinc/91/80/61/1101918061.db2.gz ZFCJEQIVWCTTIG-LBPRGKRZSA-N 1 0 348.472 2.414 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccnn2)cc1C ZINC001505717711 1114148810 /nfs/dbraw/zinc/14/88/10/1114148810.db2.gz XYURGBMLMCSTCT-KBPBESRZSA-N 1 0 328.416 2.090 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccnn2)cc1C ZINC001505717713 1114148908 /nfs/dbraw/zinc/14/89/08/1114148908.db2.gz XYURGBMLMCSTCT-UONOGXRCSA-N 1 0 328.416 2.090 10 10 EECERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4cc(O)c(O)cc4s3)[C@H]2C1 ZINC001522677070 1119459252 /nfs/dbraw/zinc/45/92/52/1119459252.db2.gz IOPVAKYFAIENFE-ZMLRMANQSA-N 1 0 332.425 2.383 10 10 EECERO C[NH+](C)C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC001542302367 1124112150 /nfs/dbraw/zinc/11/21/50/1124112150.db2.gz QDPFKBFTSFOCIT-UHFFFAOYSA-N 1 0 331.460 2.014 10 10 EECERO CCc1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001568160240 1124333423 /nfs/dbraw/zinc/33/34/23/1124333423.db2.gz FDPDKXHCWPYTBR-CYBMUJFWSA-N 1 0 344.459 2.445 10 10 EECERO CCOc1ccc(O)c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000092811357 237043180 /nfs/dbraw/zinc/04/31/80/237043180.db2.gz KEKPQCROYASYGF-UHFFFAOYSA-N 1 0 345.443 2.359 10 10 EECERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000132605981 258014616 /nfs/dbraw/zinc/01/46/16/258014616.db2.gz FCONVHWILWMALV-CQSZACIVSA-N 1 0 341.411 2.039 10 10 EECERO COC(=O)/C=C/c1ccc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000057838461 463523264 /nfs/dbraw/zinc/52/32/64/463523264.db2.gz HNQWHGYVAVPSNR-RCQQVGEISA-N 1 0 333.388 2.311 10 10 EECERO c1cnn(-c2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccn2)c1 ZINC000058245526 463558936 /nfs/dbraw/zinc/55/89/36/463558936.db2.gz IIGHEJAHXGHRHR-UHFFFAOYSA-N 1 0 349.438 2.394 10 10 EECERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1O ZINC000187321814 464116743 /nfs/dbraw/zinc/11/67/43/464116743.db2.gz DXEZGFPZGMJQAI-WCQYABFASA-N 1 0 343.265 2.444 10 10 EECERO COc1ccc(O)c(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000180074670 464235149 /nfs/dbraw/zinc/23/51/49/464235149.db2.gz WYMOODWFQCGIBB-KRWDZBQOSA-N 1 0 333.476 2.003 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(F)c[nH]3)cc2F)CC1 ZINC000293326901 464400553 /nfs/dbraw/zinc/40/05/53/464400553.db2.gz ICOFKBNOOLPRKA-UHFFFAOYSA-N 1 0 348.397 2.365 10 10 EECERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000190642877 464694458 /nfs/dbraw/zinc/69/44/58/464694458.db2.gz CMNXTJWRSAYETM-AWEZNQCLSA-N 1 0 338.423 2.466 10 10 EECERO CCOc1ccc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274758064 464753777 /nfs/dbraw/zinc/75/37/77/464753777.db2.gz GKXKGDPYLJUMRJ-UHFFFAOYSA-N 1 0 343.427 2.312 10 10 EECERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(N(C)C)cc1 ZINC000776237568 577455458 /nfs/dbraw/zinc/45/54/58/577455458.db2.gz HHJJETFBVQDWIA-YJBOKZPZSA-N 1 0 328.460 2.469 10 10 EECERO COC(=O)/C=C/c1ccc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000768525689 577557720 /nfs/dbraw/zinc/55/77/20/577557720.db2.gz JPKKRICCMXZDHZ-KELULYIISA-N 1 0 333.388 2.310 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000745828165 577919183 /nfs/dbraw/zinc/91/91/83/577919183.db2.gz PFURWRKDWQEZIB-GOSISDBHSA-N 1 0 328.460 2.217 10 10 EECERO COC(=O)c1c(CN(C)CCC[NH+](C)C)c2cc(F)ccc2n1C ZINC000894761934 683079351 /nfs/dbraw/zinc/07/93/51/683079351.db2.gz AXAPDTVJJOTRQX-UHFFFAOYSA-N 1 0 335.423 2.488 10 10 EECERO COC(=O)CCN(CC(=O)OC(C)(C)C)Cc1ccc(C)cc1O ZINC000895711436 684693762 /nfs/dbraw/zinc/69/37/62/684693762.db2.gz QRAIQLRJPXMBBR-UHFFFAOYSA-N 1 0 337.416 2.407 10 10 EECERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]2C1 ZINC000897801717 691787035 /nfs/dbraw/zinc/78/70/35/691787035.db2.gz QADVWVXGSJJLOS-PWSUYJOCSA-N 1 0 332.425 2.336 10 10 EECERO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)COCC3CC3)C2)cc1C ZINC001267029442 1178117975 /nfs/dbraw/zinc/11/79/75/1178117975.db2.gz DPWYVJCGEXWUHE-GOSISDBHSA-N 1 0 346.471 2.368 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@](C)(O)C2CC2)cc1C ZINC001481222805 1180351042 /nfs/dbraw/zinc/35/10/42/1180351042.db2.gz KCHZTVHUDNLMHP-IBGZPJMESA-N 1 0 334.460 2.103 10 10 EECERO CC[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481259666 1180498426 /nfs/dbraw/zinc/49/84/26/1180498426.db2.gz NXHWTKMDFBXJMO-SJORKVTESA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCOC[C@@H]3C)CC2)cc1C ZINC001269485032 1184304404 /nfs/dbraw/zinc/30/44/04/1184304404.db2.gz XQMZKIZZIJEHCA-RDJZCZTQSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cncnc2)C(C)C)cc1C ZINC001271829245 1186531846 /nfs/dbraw/zinc/53/18/46/1186531846.db2.gz CWLPFVSIERHYSE-QGZVFWFLSA-N 1 0 342.443 2.338 10 10 EECERO COC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001482570299 1186904675 /nfs/dbraw/zinc/90/46/75/1186904675.db2.gz CJJFCEZHZMMIFJ-IUODEOHRSA-N 1 0 349.435 2.228 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@]2(C)CCOC2)cc1C ZINC001482883026 1187807520 /nfs/dbraw/zinc/80/75/20/1187807520.db2.gz BDLDPQONSFAUDZ-KXBFYZLASA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2cn[nH]c2)cc1C ZINC001485200687 1191683616 /nfs/dbraw/zinc/68/36/16/1191683616.db2.gz SHTTWLBDMHTZFL-HUUCEWRRSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000872306067 1198138098 /nfs/dbraw/zinc/13/80/98/1198138098.db2.gz VWCGDCNUZIYUEA-QGTPRVQTSA-N 1 0 331.460 2.298 10 10 EECERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](O)C1 ZINC000865746895 1198357826 /nfs/dbraw/zinc/35/78/26/1198357826.db2.gz MBBSATIMQHTEQE-HOTGVXAUSA-N 1 0 348.443 2.081 10 10 EECERO CC[C@H]1C[N@H+](C)CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000814938237 1199802461 /nfs/dbraw/zinc/80/24/61/1199802461.db2.gz HNLFDBXFATZOML-QPBFKRLHSA-N 1 0 333.388 2.311 10 10 EECERO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1ccccc1O)CO2 ZINC000827066522 1249734761 /nfs/dbraw/zinc/73/47/61/1249734761.db2.gz SHYABUGSYACNLB-CQSZACIVSA-N 1 0 334.416 2.260 10 10 EECERO CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000903364849 1240317667 /nfs/dbraw/zinc/31/76/67/1240317667.db2.gz COAWWXOSYSLVMA-UKRRQHHQSA-N 1 0 347.864 2.290 10 10 EECERO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cn1C ZINC000850347658 1277191852 /nfs/dbraw/zinc/19/18/52/1277191852.db2.gz VMJTUWGOOUUXMW-HNNXBMFYSA-N 1 0 343.427 2.189 10 10 EECERO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000850519567 1277257750 /nfs/dbraw/zinc/25/77/50/1277257750.db2.gz NNWBPHIETIBPGY-NSHDSACASA-N 1 0 338.395 2.380 10 10 EECERO COc1ccc(N2CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000851657066 1277704010 /nfs/dbraw/zinc/70/40/10/1277704010.db2.gz UQOKNCIVSRKCEY-GOSISDBHSA-N 1 0 348.491 2.337 10 10 EECERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852066674 1291980039 /nfs/dbraw/zinc/98/00/39/1291980039.db2.gz QJTXBRUULVIYKU-JKSUJKDBSA-N 1 0 348.491 2.303 10 10 EECERO COc1ccc(O)c([C@H](C)NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000852802588 1292202697 /nfs/dbraw/zinc/20/26/97/1292202697.db2.gz QUBZDMQTVVFNQK-NSHDSACASA-N 1 0 345.399 2.347 10 10 EECERO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1S(C)(=O)=O ZINC000853564499 1292417194 /nfs/dbraw/zinc/41/71/94/1292417194.db2.gz PTMQJMUMHGXTSR-CYBMUJFWSA-N 1 0 334.441 2.011 10 10 EECERO c1cc(CN2CCO[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000858306434 1294077434 /nfs/dbraw/zinc/07/74/34/1294077434.db2.gz MMVHVYZTOCZRQC-LJQANCHMSA-N 1 0 339.439 2.007 10 10 EECERO COc1ccc(N2CCC([NH2+][C@H]3CCN(C4CCC4)C3=O)CC2)cc1 ZINC000858342392 1294089109 /nfs/dbraw/zinc/08/91/09/1294089109.db2.gz LMWYMLYSZGNDHF-IBGZPJMESA-N 1 0 343.471 2.407 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@H]3CCCCO3)CC2)cc1 ZINC000858358345 1294094690 /nfs/dbraw/zinc/09/46/90/1294094690.db2.gz CYGOTICZLXGIMU-YLJYHZDGSA-N 1 0 347.503 2.364 10 10 EECERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1 ZINC000858488641 1294132053 /nfs/dbraw/zinc/13/20/53/1294132053.db2.gz JHNDMPGZYJNZJN-UONOGXRCSA-N 1 0 338.415 2.068 10 10 EECERO C[N@H+](CCOC1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000859059409 1294307698 /nfs/dbraw/zinc/30/76/98/1294307698.db2.gz FTELCYLEGRWTQG-UHFFFAOYSA-N 1 0 334.460 2.151 10 10 EECERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1c(O)cccc1Br ZINC000862396684 1295826483 /nfs/dbraw/zinc/82/64/83/1295826483.db2.gz WDBZUSPDYHQTMZ-VXGBXAGGSA-N 1 0 343.265 2.042 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ncoc3C)CC2)cc1C ZINC001277013128 1300860832 /nfs/dbraw/zinc/86/08/32/1300860832.db2.gz CRAILKNAIUAKQH-UHFFFAOYSA-N 1 0 329.400 2.352 10 10 EECERO CCO/C=C\C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841165695 1315493982 /nfs/dbraw/zinc/49/39/82/1315493982.db2.gz CDGRFFGQYGBVLP-ZROIWOOFSA-N 1 0 343.471 2.385 10 10 EECERO CN1CCCc2cc(CNC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)ccc21 ZINC000841760428 1315609240 /nfs/dbraw/zinc/60/92/40/1315609240.db2.gz VNQLJIQOIKSMMD-HXUWFJFHSA-N 1 0 342.487 2.354 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cn2ccnc2C)cc1C ZINC001492126867 1330980474 /nfs/dbraw/zinc/98/04/74/1330980474.db2.gz BGVOCRPAOCCVFA-HNNXBMFYSA-N 1 0 344.459 2.193 10 10 EECERO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC001325318645 1333862891 /nfs/dbraw/zinc/86/28/91/1333862891.db2.gz IXJMQHAVPIEKNS-VGOKWCNXSA-N 1 0 325.460 2.368 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H](O)C(C)C)cc1C ZINC001331276029 1334989361 /nfs/dbraw/zinc/98/93/61/1334989361.db2.gz WLVGKLQAXZTKEP-PKOBYXMFSA-N 1 0 348.487 2.347 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001624660920 1352427205 /nfs/dbraw/zinc/42/72/05/1352427205.db2.gz RRXQVLXMKZULFR-UHFFFAOYSA-N 1 0 340.423 2.375 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2c(C)ncn2C)cc1C ZINC001674680990 1356875070 /nfs/dbraw/zinc/87/50/70/1356875070.db2.gz PBBTUDFLDFQIRI-KGLIPLIRSA-N 1 0 344.459 2.342 10 10 EECERO COC[C@@]1(C(N)=O)CCC[N@@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000818264237 785227866 /nfs/dbraw/zinc/22/78/66/785227866.db2.gz SAGBSKWNISTJTR-HXUWFJFHSA-N 1 0 345.487 2.452 10 10 EECERO CN(Cc1cccs1)c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000823484684 787774944 /nfs/dbraw/zinc/77/49/44/787774944.db2.gz ZTAYSMMSMSIEQI-CALCHBBNSA-N 1 0 332.469 2.312 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000824515462 788197694 /nfs/dbraw/zinc/19/76/94/788197694.db2.gz FZOBWGFMIRVUBO-OAHLLOKOSA-N 1 0 330.453 2.413 10 10 EECERO COc1ccc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824517556 788198717 /nfs/dbraw/zinc/19/87/17/788198717.db2.gz YRRILLUNGXUUKZ-CYBMUJFWSA-N 1 0 333.409 2.062 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)cc2)CC1 ZINC000844433388 789118347 /nfs/dbraw/zinc/11/83/47/789118347.db2.gz MFZKHMDNPSMIAY-CEXJFXJFSA-N 1 0 334.485 2.007 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000846442803 790184436 /nfs/dbraw/zinc/18/44/36/790184436.db2.gz YRMITKHRGGKEMM-HOTGVXAUSA-N 1 0 333.476 2.320 10 10 EECERO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC1(C)C ZINC000785467033 799726702 /nfs/dbraw/zinc/72/67/02/799726702.db2.gz VACIXIJPCDALBJ-WMLDXEAASA-N 1 0 336.501 2.446 10 10 EECERO CN(C)c1cc[nH+]c(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000922481733 801127859 /nfs/dbraw/zinc/12/78/59/801127859.db2.gz WEUKHEJFYOUSCR-UHFFFAOYSA-N 1 0 326.444 2.274 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2ccnc2)cc1C ZINC001480547367 1100380660 /nfs/dbraw/zinc/38/06/60/1100380660.db2.gz ZRUGCATWCDRQQC-HZPDHXFCSA-N 1 0 344.459 2.446 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001497482745 1102559942 /nfs/dbraw/zinc/55/99/42/1102559942.db2.gz QIGFRXZVUCHZTG-PXNSSMCTSA-N 1 0 346.471 2.368 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC001471871571 1110534142 /nfs/dbraw/zinc/53/41/42/1110534142.db2.gz SFBKPMCOQPVMMM-KBPBESRZSA-N 1 0 347.444 2.159 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@]2(F)CCOC2)cc1C ZINC001568668832 1124682343 /nfs/dbraw/zinc/68/23/43/1124682343.db2.gz DCXJQMUKTXRRBQ-KDOFPFPSSA-N 1 0 338.423 2.117 10 10 EECERO C[C@H]([NH3+])c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000103964114 219332824 /nfs/dbraw/zinc/33/28/24/219332824.db2.gz YVIGVXYKPMRXGM-ONGXEEELSA-N 1 0 347.278 2.092 10 10 EECERO c1nnc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)[nH]1 ZINC000093646159 237045330 /nfs/dbraw/zinc/04/53/30/237045330.db2.gz TUCKUIYIJHYPQJ-UHFFFAOYSA-N 1 0 327.432 2.021 10 10 EECERO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(O)c1 ZINC000527956662 317293319 /nfs/dbraw/zinc/29/33/19/317293319.db2.gz QXYMCDTZECZMEE-OXJNMPFZSA-N 1 0 348.487 2.275 10 10 EECERO CCC[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000136792539 463257957 /nfs/dbraw/zinc/25/79/57/463257957.db2.gz NMNPKAFPRWNOLF-KRWDZBQOSA-N 1 0 337.439 2.009 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccn3)CC1)OCO2 ZINC000185687078 463860907 /nfs/dbraw/zinc/86/09/07/463860907.db2.gz CBCWKYJADIUPBG-UHFFFAOYSA-N 1 0 327.384 2.228 10 10 EECERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185775034 463877659 /nfs/dbraw/zinc/87/76/59/463877659.db2.gz PBLJPJYXGKSKHN-RISCZKNCSA-N 1 0 332.404 2.324 10 10 EECERO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@]2(CCOC2)O1 ZINC000373477754 466816605 /nfs/dbraw/zinc/81/66/05/466816605.db2.gz BLGQVKKKEWBQIB-KSSFIOAISA-N 1 0 337.416 2.179 10 10 EECERO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[NH2+]C12CCC2 ZINC000529356461 467852160 /nfs/dbraw/zinc/85/21/60/467852160.db2.gz FEXAZJWNPLWEBE-KRWDZBQOSA-N 1 0 329.444 2.355 10 10 EECERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000103135103 534411187 /nfs/dbraw/zinc/41/11/87/534411187.db2.gz FIEAJZSHWFEVRL-LBPRGKRZSA-N 1 0 331.372 2.267 10 10 EECERO COc1ccc(N2CCC([NH2+][C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)CC2)cc1 ZINC000773035337 577311700 /nfs/dbraw/zinc/31/17/00/577311700.db2.gz WUMXEKPFRRXOJX-IDHHARJASA-N 1 0 343.471 2.263 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000775368792 577436061 /nfs/dbraw/zinc/43/60/61/577436061.db2.gz FYWFBTCAMSIHAV-NSHDSACASA-N 1 0 344.367 2.419 10 10 EECERO COc1cc(C[NH2+][C@@H](C)C2N=NC(=O)N2C)c(O)c(C(C)(C)C)c1 ZINC000895170115 684186587 /nfs/dbraw/zinc/18/65/87/684186587.db2.gz CIMYIENWQAEIPX-JTQLQIEISA-N 1 0 334.420 2.383 10 10 EECERO C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000863544047 690717067 /nfs/dbraw/zinc/71/70/67/690717067.db2.gz JNQWGUXLEBCFEN-SECBINFHSA-N 1 0 335.217 2.180 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccnc(F)c2)cc1C ZINC001266654351 1177065191 /nfs/dbraw/zinc/06/51/91/1177065191.db2.gz AVGLEFXFRLPZLB-UHFFFAOYSA-N 1 0 331.391 2.400 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)COc2cccnc2)cc1C ZINC001266979653 1177975072 /nfs/dbraw/zinc/97/50/72/1177975072.db2.gz JQGJQVPGSMXUDL-OAHLLOKOSA-N 1 0 343.427 2.072 10 10 EECERO Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268675846 1183601541 /nfs/dbraw/zinc/60/15/41/1183601541.db2.gz HUXZGJFACIEETD-SNVBAGLBSA-N 1 0 344.375 2.054 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1=CCOCC1 ZINC001482919282 1187835548 /nfs/dbraw/zinc/83/55/48/1187835548.db2.gz JFRAPVCQCNRILB-UHFFFAOYSA-N 1 0 332.444 2.288 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2ccnc2C)cc1C ZINC001485223779 1191702899 /nfs/dbraw/zinc/70/28/99/1191702899.db2.gz BORGLJOZBIASRS-GJZGRUSLSA-N 1 0 344.459 2.192 10 10 EECERO CC(C)(O)CN1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000865660709 1198321632 /nfs/dbraw/zinc/32/16/32/1198321632.db2.gz SCWVMMUMYNMMJZ-NSHDSACASA-N 1 0 343.265 2.090 10 10 EECERO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O ZINC000866492105 1201530388 /nfs/dbraw/zinc/53/03/88/1201530388.db2.gz DITXOLRVKIIOHJ-NOLJZWGESA-N 1 0 336.432 2.413 10 10 EECERO C[C@@H]1C[C@@H]([NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c2c1c(F)ccc2O ZINC000866629804 1201564227 /nfs/dbraw/zinc/56/42/27/1201564227.db2.gz RGZSKVMWQGWMED-NOZJJQNGSA-N 1 0 345.374 2.438 10 10 EECERO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnnc1 ZINC000924759612 1206028272 /nfs/dbraw/zinc/02/82/72/1206028272.db2.gz KYRZOASRTLYELA-ZDUSSCGKSA-N 1 0 330.407 2.428 10 10 EECERO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000925817625 1206157208 /nfs/dbraw/zinc/15/72/08/1206157208.db2.gz UDFCZLVWKDBGSD-NSHDSACASA-N 1 0 331.382 2.485 10 10 EECERO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558846 1206227448 /nfs/dbraw/zinc/22/74/48/1206227448.db2.gz JXMVMEDSHDRMQL-MQIPJXDCSA-N 1 0 326.387 2.314 10 10 EECERO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2ccccc2O)CC1 ZINC000721984103 1229921754 /nfs/dbraw/zinc/92/17/54/1229921754.db2.gz DQUKQYAMMIEXIQ-UHFFFAOYSA-N 1 0 349.475 2.471 10 10 EECERO C[C@H]([NH3+])CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827365370 1247957141 /nfs/dbraw/zinc/95/71/41/1247957141.db2.gz QJGGGNNZIYZPCO-IHRRRGAJSA-N 1 0 337.439 2.183 10 10 EECERO COc1cc(O)c(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1OC ZINC000826904293 1248116860 /nfs/dbraw/zinc/11/68/60/1248116860.db2.gz ZOCKBTVVIFXSSJ-BPLDGKMQSA-N 1 0 339.432 2.065 10 10 EECERO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000850510432 1277255440 /nfs/dbraw/zinc/25/54/40/1277255440.db2.gz WGKQXSVIPNWCMS-XLIONFOSSA-N 1 0 348.487 2.496 10 10 EECERO COc1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)CC3CC3)C2)cc1C ZINC001273848005 1286751866 /nfs/dbraw/zinc/75/18/66/1286751866.db2.gz FLYGEWAPAROMDO-HXUWFJFHSA-N 1 0 346.471 2.247 10 10 EECERO CCCC[N@H+](Cc1coc(S(N)(=O)=O)c1)Cc1ccccc1O ZINC000852018949 1291956587 /nfs/dbraw/zinc/95/65/87/1291956587.db2.gz UWIQMGSIYAHABA-UHFFFAOYSA-N 1 0 338.429 2.435 10 10 EECERO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000856596119 1293578599 /nfs/dbraw/zinc/57/85/99/1293578599.db2.gz RMDWIOKNXDVDIK-GOSISDBHSA-N 1 0 331.416 2.216 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1F ZINC000858182053 1294036069 /nfs/dbraw/zinc/03/60/69/1294036069.db2.gz GCXYWUIXSPDNIB-KRWDZBQOSA-N 1 0 328.403 2.298 10 10 EECERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)ccc1N1CCCCC1 ZINC000858226496 1294053199 /nfs/dbraw/zinc/05/31/99/1294053199.db2.gz OEXBEXYXJHNXHA-QZTJIDSGSA-N 1 0 349.431 2.215 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000861572511 1295460166 /nfs/dbraw/zinc/46/01/66/1295460166.db2.gz ROBJPISSMNQTMN-HOCLYGCPSA-N 1 0 346.475 2.104 10 10 EECERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000861675705 1295499322 /nfs/dbraw/zinc/49/93/22/1295499322.db2.gz SNCNYJZXTNHTJC-ZWKOTPCHSA-N 1 0 346.475 2.057 10 10 EECERO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCC(=O)N1 ZINC000840976581 1315450386 /nfs/dbraw/zinc/45/03/86/1315450386.db2.gz OFWULYJKNWQRDV-MRXNPFEDSA-N 1 0 349.450 2.151 10 10 EECERO CN1CCCc2cc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)ccc21 ZINC000841759328 1315609375 /nfs/dbraw/zinc/60/93/75/1315609375.db2.gz NEDLMWZVAFZKSX-OAHLLOKOSA-N 1 0 330.476 2.258 10 10 EECERO CCOCc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)ccc1OC ZINC000842759372 1315768685 /nfs/dbraw/zinc/76/86/85/1315768685.db2.gz VCNSWNHZKLOIJA-IBGZPJMESA-N 1 0 337.460 2.499 10 10 EECERO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[O-] ZINC000843127281 1315849714 /nfs/dbraw/zinc/84/97/14/1315849714.db2.gz PLQVWSCCWMDSPR-PHIMTYICSA-N 1 0 325.796 2.385 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccnc2OC)cc1C ZINC001265818513 1323398114 /nfs/dbraw/zinc/39/81/14/1323398114.db2.gz LYZIPBGCDFVTGH-CQSZACIVSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@]2(F)CCOC2)cc1C ZINC001670218848 1356298250 /nfs/dbraw/zinc/29/82/50/1356298250.db2.gz QWOGJGQAENONAS-GOSISDBHSA-N 1 0 338.423 2.070 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC2CCC2)cc1C ZINC001571575701 1343242106 /nfs/dbraw/zinc/24/21/06/1343242106.db2.gz BUCAJOZALZRELN-QGZVFWFLSA-N 1 0 334.460 2.103 10 10 EECERO CC[N@H+](CCNC(=O)Cc1ccc(O)c(O)c1)CCC(F)(F)F ZINC001625060885 1352438938 /nfs/dbraw/zinc/43/89/38/1352438938.db2.gz DNYDFVJIJNXZNL-UHFFFAOYSA-N 1 0 334.338 2.031 10 10 EECERO c1ncn(-c2cccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c2)n1 ZINC001657260192 1354335990 /nfs/dbraw/zinc/33/59/90/1354335990.db2.gz QYFPSMQPFJBFFT-UHFFFAOYSA-N 1 0 349.438 2.394 10 10 EECERO COc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001662277075 1354773544 /nfs/dbraw/zinc/77/35/44/1354773544.db2.gz DMRFGSQHKZSVNW-CQSZACIVSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cc(C)nn2C)cc1C ZINC001666520837 1355539175 /nfs/dbraw/zinc/53/91/75/1355539175.db2.gz VPOWEBACHHBUID-CYBMUJFWSA-N 1 0 344.459 2.201 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000824655440 788258469 /nfs/dbraw/zinc/25/84/69/788258469.db2.gz WJMQWEOUYRGYFI-KCPJHIHWSA-N 1 0 341.835 2.416 10 10 EECERO c1cc(N2CCOCC2)ccc1CNCc1nc2c(s1)COCC2 ZINC000922963112 788450865 /nfs/dbraw/zinc/45/08/65/788450865.db2.gz WLTXMLVJYWOMME-UHFFFAOYSA-N 1 0 345.468 2.342 10 10 EECERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000825308597 788562313 /nfs/dbraw/zinc/56/23/13/788562313.db2.gz CFLGDKLEWUFPKC-WQAKAFBOSA-N 1 0 339.233 2.254 10 10 EECERO CCOCc1cc(C[NH2+]C[C@@H](CO)c2cccnc2)ccc1OC ZINC000808430152 812650694 /nfs/dbraw/zinc/65/06/94/812650694.db2.gz CNYXAUBARVUFKF-SFHVURJKSA-N 1 0 330.428 2.492 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001441914680 1096092328 /nfs/dbraw/zinc/09/23/28/1096092328.db2.gz MAZYZOVBTFSBEV-QGZVFWFLSA-N 1 0 347.503 2.458 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ccc(C)s2)cc1C ZINC001496927543 1101729945 /nfs/dbraw/zinc/72/99/45/1101729945.db2.gz LPVNCEZURISMRN-OAHLLOKOSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001497000724 1101811045 /nfs/dbraw/zinc/81/10/45/1101811045.db2.gz CSVWCKODDBWBAG-GOEBONIOSA-N 1 0 336.476 2.253 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cncn2C)C(C)C)cc1C ZINC001568456519 1124521568 /nfs/dbraw/zinc/52/15/68/1124521568.db2.gz RNLAJJKWICOGMM-MRXNPFEDSA-N 1 0 344.459 2.281 10 10 EECERO CCOCc1cc(C[NH2+][C@@H]2CCc3nc(CC)nn3C2)ccc1OC ZINC000069745063 463318455 /nfs/dbraw/zinc/31/84/55/463318455.db2.gz JBEWGYLMKFVZIL-MRXNPFEDSA-N 1 0 344.459 2.490 10 10 EECERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000185502182 463834360 /nfs/dbraw/zinc/83/43/60/463834360.db2.gz VTHIKDLDKHFVAI-MWLCHTKSSA-N 1 0 327.222 2.426 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173992961 464346100 /nfs/dbraw/zinc/34/61/00/464346100.db2.gz WAVVUFJDQLCOBL-LJQANCHMSA-N 1 0 340.471 2.443 10 10 EECERO COc1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O ZINC000184701717 465019879 /nfs/dbraw/zinc/01/98/79/465019879.db2.gz HCMQCCPVWMIDJP-WFASDCNBSA-N 1 0 340.851 2.207 10 10 EECERO COC(=O)/C=C/c1ccc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190546 577212262 /nfs/dbraw/zinc/21/22/62/577212262.db2.gz GVFCMZSFZNVYKM-SGJXGLNRSA-N 1 0 345.399 2.454 10 10 EECERO CCOc1ccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c(O)c1 ZINC000761226412 577679802 /nfs/dbraw/zinc/67/98/02/577679802.db2.gz PTXTXCPFILIZRS-UHFFFAOYSA-N 1 0 328.416 2.212 10 10 EECERO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(F)ccc1O ZINC000757655812 577861968 /nfs/dbraw/zinc/86/19/68/577861968.db2.gz LBOCACOYLKVTTQ-WFASDCNBSA-N 1 0 346.406 2.107 10 10 EECERO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000743874278 577890948 /nfs/dbraw/zinc/89/09/48/577890948.db2.gz YWQKLQZXPOCZLS-IAGOWNOFSA-N 1 0 345.487 2.464 10 10 EECERO COC(=O)c1c(C[NH2+]C[C@H]2CC[C@H](O)C2)c2cc(F)ccc2n1C ZINC000894540207 682961641 /nfs/dbraw/zinc/96/16/41/682961641.db2.gz FFVXFRXZHPWTDS-AAEUAGOBSA-N 1 0 334.391 2.355 10 10 EECERO CN(C)c1ccc(/C=C\C[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000894611261 682994362 /nfs/dbraw/zinc/99/43/62/682994362.db2.gz MWULIBSCAVTHLL-ARJAWSKDSA-N 1 0 327.432 2.400 10 10 EECERO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1O ZINC000895689530 684683190 /nfs/dbraw/zinc/68/31/90/684683190.db2.gz XSAGBMUUALZJFK-HAQNSBGRSA-N 1 0 348.262 2.128 10 10 EECERO CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1C ZINC000895763505 684715243 /nfs/dbraw/zinc/71/52/43/684715243.db2.gz CZBSCUXFGUOYJC-KRWDZBQOSA-N 1 0 332.444 2.169 10 10 EECERO CC[C@H](CNC(=O)c1ccnnc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267811416 1180566437 /nfs/dbraw/zinc/56/64/37/1180566437.db2.gz SMBIQDCCPJGVLX-MRXNPFEDSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CC2CCCC2)cc1C ZINC001268293925 1182187025 /nfs/dbraw/zinc/18/70/25/1182187025.db2.gz BNDSRBROXTXQGR-QGZVFWFLSA-N 1 0 334.460 2.151 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnon3)CCCC2)cc1C ZINC001482235127 1184457641 /nfs/dbraw/zinc/45/76/41/1184457641.db2.gz TWYNSQDSFCTAIQ-UHFFFAOYSA-N 1 0 344.415 2.219 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccnnc2C)cc1C ZINC001272889235 1193592616 /nfs/dbraw/zinc/59/26/16/1193592616.db2.gz JZAMEEYJRTTZCE-CQSZACIVSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001485125262 1191662310 /nfs/dbraw/zinc/66/23/10/1191662310.db2.gz AERBVSPRMAAECS-ZIAGYGMSSA-N 1 0 330.432 2.332 10 10 EECERO COc1cc(C[N@@H+]2CCN(CCO)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825568467 1198305251 /nfs/dbraw/zinc/30/52/51/1198305251.db2.gz YNGVHDVMNYYZLZ-AWEZNQCLSA-N 1 0 336.476 2.197 10 10 EECERO COc1cc(C[NH2+]C2CN(c3ccncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000865746206 1198357222 /nfs/dbraw/zinc/35/72/22/1198357222.db2.gz FKXDXFGJKYBISS-UHFFFAOYSA-N 1 0 342.443 2.467 10 10 EECERO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC000877693241 1200034905 /nfs/dbraw/zinc/03/49/05/1200034905.db2.gz PTADZZYULXLDMM-GOEBONIOSA-N 1 0 344.377 2.126 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3C[C@H]3C3CC3)cc2)CC1 ZINC000881849402 1201774202 /nfs/dbraw/zinc/77/42/02/1201774202.db2.gz QHVVECGOZWEFAG-HKUYNNGSSA-N 1 0 327.472 2.491 10 10 EECERO CC(C)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000132294065 1202095366 /nfs/dbraw/zinc/09/53/66/1202095366.db2.gz JTXKSZAOUIKHOM-UHFFFAOYSA-N 1 0 330.476 2.426 10 10 EECERO CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000903364847 1240318171 /nfs/dbraw/zinc/31/81/71/1240318171.db2.gz COAWWXOSYSLVMA-DZGCQCFKSA-N 1 0 347.864 2.290 10 10 EECERO C[N@@H+]1CCC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000827529173 1248382960 /nfs/dbraw/zinc/38/29/60/1248382960.db2.gz INPVLTCHXSBIQT-AWEZNQCLSA-N 1 0 330.457 2.140 10 10 EECERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000850116590 1277043791 /nfs/dbraw/zinc/04/37/91/1277043791.db2.gz PDDBYLUHPRFLDC-DOPJRALCSA-N 1 0 332.444 2.451 10 10 EECERO C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000851631245 1277692620 /nfs/dbraw/zinc/69/26/20/1277692620.db2.gz YWTYKRHXEHBTKB-OAHLLOKOSA-N 1 0 343.471 2.362 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]([NH+](C)C)C3)C2)cc1 ZINC000854302364 1292712381 /nfs/dbraw/zinc/71/23/81/1292712381.db2.gz ZPYSPSNDCJCVRL-RDJZCZTQSA-N 1 0 346.475 2.010 10 10 EECERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000861557834 1295456737 /nfs/dbraw/zinc/45/67/37/1295456737.db2.gz VTXIEZGPBNHTTD-BGYRXZFFSA-N 1 0 342.487 2.428 10 10 EECERO C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000863544023 1296328428 /nfs/dbraw/zinc/32/84/28/1296328428.db2.gz ITCOFYMMKWUYOM-SECBINFHSA-N 1 0 335.217 2.180 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(C)s2)cc1C ZINC001278040819 1305767854 /nfs/dbraw/zinc/76/78/54/1305767854.db2.gz FBFFCNPCKVZLLL-OAHLLOKOSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(N2CCCN(CN3C(=O)[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000839971712 1315267634 /nfs/dbraw/zinc/26/76/34/1315267634.db2.gz XYEKJZBZBJMSAS-MSOLQXFVSA-N 1 0 329.444 2.176 10 10 EECERO Nc1ccc(Cc2nc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000841848245 1315622672 /nfs/dbraw/zinc/62/26/72/1315622672.db2.gz DTVUFQNPTBKEHX-OAHLLOKOSA-N 1 0 342.468 2.283 10 10 EECERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842722987 1315762176 /nfs/dbraw/zinc/76/21/76/1315762176.db2.gz WJORUXQRLTZRFI-CQSZACIVSA-N 1 0 333.409 2.025 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000843418133 1315911498 /nfs/dbraw/zinc/91/14/98/1315911498.db2.gz QWBPXRHKEKZLCS-SFHVURJKSA-N 1 0 334.485 2.231 10 10 EECERO CCN(OC)C(=O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000843430401 1315914333 /nfs/dbraw/zinc/91/43/33/1315914333.db2.gz LOZDXDWMZAGHHY-UHFFFAOYSA-N 1 0 344.411 2.471 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cnc(C)cn2)cc1C ZINC001266125191 1323696081 /nfs/dbraw/zinc/69/60/81/1323696081.db2.gz VZEBYCCBSLGTKB-CQSZACIVSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[C@@H](C)C2)cc1C ZINC001279848952 1324014359 /nfs/dbraw/zinc/01/43/59/1324014359.db2.gz WIVHQQZKMQSXMD-CRAIPNDOSA-N 1 0 348.487 2.350 10 10 EECERO C[NH+](C)CCN(CCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001291709173 1328318920 /nfs/dbraw/zinc/31/89/20/1328318920.db2.gz GPMRKGFSFNCVDP-UHFFFAOYSA-N 1 0 342.439 2.273 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cnn(C)c2C)cc1C ZINC001317385277 1332209850 /nfs/dbraw/zinc/20/98/50/1332209850.db2.gz FFDFEBYWPMUXNC-CQSZACIVSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)[C@H]2CCCO2)cc1C ZINC001317633740 1332339123 /nfs/dbraw/zinc/33/91/23/1332339123.db2.gz REBIPTOXNVMDMY-CRAIPNDOSA-N 1 0 334.460 2.367 10 10 EECERO CCc1nc[nH]c1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317653392 1332351242 /nfs/dbraw/zinc/35/12/42/1332351242.db2.gz GGEDQXRPYSXONK-UHFFFAOYSA-N 1 0 330.432 2.151 10 10 EECERO COCCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001326162409 1334035676 /nfs/dbraw/zinc/03/56/76/1334035676.db2.gz JRPWTUPAFMKRMA-MRXNPFEDSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cncnc2)cc1C ZINC001329013222 1334568564 /nfs/dbraw/zinc/56/85/64/1334568564.db2.gz GYUOPAAPQAGFPB-UONOGXRCSA-N 1 0 328.416 2.090 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2F)CC1 ZINC001329174032 1334600622 /nfs/dbraw/zinc/60/06/22/1334600622.db2.gz RQLMYVQDMJVOTN-APWZRJJASA-N 1 0 333.451 2.235 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]([NH3+])C3CCCCC3)C2)cc1 ZINC001329937895 1334744732 /nfs/dbraw/zinc/74/47/32/1334744732.db2.gz PSAJTQUKUKEAHI-MAUKXSAKSA-N 1 0 331.460 2.298 10 10 EECERO OC[C@@H](C[NH2+]Cc1c(O)cccc1Br)c1cccnc1 ZINC001331509937 1335026038 /nfs/dbraw/zinc/02/60/38/1335026038.db2.gz AIVMECFRCDAENL-GFCCVEGCSA-N 1 0 337.217 2.415 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccnnc2)cc1C ZINC001331563471 1335037254 /nfs/dbraw/zinc/03/72/54/1335037254.db2.gz FZLQFPVXBVUWHC-CQSZACIVSA-N 1 0 328.416 2.044 10 10 EECERO CCOc1ccc(N2CC[NH+](CCOC3CCOCC3)CC2)cc1 ZINC001334972758 1336319995 /nfs/dbraw/zinc/31/99/95/1336319995.db2.gz PZYPAMHJUHXPAD-UHFFFAOYSA-N 1 0 334.460 2.403 10 10 EECERO CCC1([NH3+])CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001350647556 1337731430 /nfs/dbraw/zinc/73/14/30/1337731430.db2.gz RZNICTJRIPJHEM-UHFFFAOYSA-N 1 0 334.483 2.281 10 10 EECERO CC[C@@H](CNC(=O)c1cnccn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665753242 1355382018 /nfs/dbraw/zinc/38/20/18/1355382018.db2.gz DMILBZVEVOLLHA-HNNXBMFYSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2nn(C)cc2C)cc1C ZINC001571387309 1343202162 /nfs/dbraw/zinc/20/21/62/1343202162.db2.gz SBPHNCWTFIFHON-HNNXBMFYSA-N 1 0 344.459 2.296 10 10 EECERO CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC001674331578 1356819377 /nfs/dbraw/zinc/81/93/77/1356819377.db2.gz BTTZQUVOSBZMSR-WBVHZDCISA-N 1 0 346.475 2.010 10 10 EECERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)C1 ZINC000825422023 788629376 /nfs/dbraw/zinc/62/93/76/788629376.db2.gz JJLVNJQKYWNWIO-ZIFCJYIRSA-N 1 0 343.471 2.045 10 10 EECERO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844378315 789073393 /nfs/dbraw/zinc/07/33/93/789073393.db2.gz KPZFGUNQYNBPPB-QAPCUYQASA-N 1 0 335.492 2.098 10 10 EECERO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001449327732 1094279255 /nfs/dbraw/zinc/27/92/55/1094279255.db2.gz CITRVSLJLZTIPI-MRXNPFEDSA-N 1 0 344.411 2.068 10 10 EECERO CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001479730107 1098827635 /nfs/dbraw/zinc/82/76/35/1098827635.db2.gz VGTMUQSUDKURKK-DOMZBBRYSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccn(C)n2)cc1C ZINC001480808089 1107153159 /nfs/dbraw/zinc/15/31/59/1107153159.db2.gz APOHSZMQOCDNBA-CQSZACIVSA-N 1 0 330.432 2.035 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(C)cc2)cc1C ZINC001568588912 1124619913 /nfs/dbraw/zinc/61/99/13/1124619913.db2.gz ATJFMTUNCHQZDD-SFHVURJKSA-N 1 0 342.439 2.193 10 10 EECERO CN(C)c1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093146551 529780370 /nfs/dbraw/zinc/78/03/70/529780370.db2.gz LCKSIVRQJNYROZ-FQEVSTJZSA-N 1 0 330.520 2.355 10 10 EECERO c1cn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cn2)cn1 ZINC000048364065 462901575 /nfs/dbraw/zinc/90/15/75/462901575.db2.gz KLUFQVXEOZWJKB-UHFFFAOYSA-N 1 0 349.438 2.394 10 10 EECERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093739665 463046329 /nfs/dbraw/zinc/04/63/29/463046329.db2.gz ZWJMGXOZXVDEKG-AWEZNQCLSA-N 1 0 343.265 2.043 10 10 EECERO CN(C)C(=O)CCN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000268329264 463707713 /nfs/dbraw/zinc/70/77/13/463707713.db2.gz ANJYRXFRKNOJNZ-UHFFFAOYSA-N 1 0 341.455 2.141 10 10 EECERO Fc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cnc1N1CCOCC1 ZINC000185079625 463748453 /nfs/dbraw/zinc/74/84/53/463748453.db2.gz BBRVJTCJWVNHIV-UHFFFAOYSA-N 1 0 343.402 2.282 10 10 EECERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1O ZINC000185994376 463919360 /nfs/dbraw/zinc/91/93/60/463919360.db2.gz UOIALJCEKMAQMX-GXSJLCMTSA-N 1 0 337.221 2.412 10 10 EECERO CCn1cc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cn1 ZINC000180111890 464244924 /nfs/dbraw/zinc/24/49/24/464244924.db2.gz QOPDYCHSSAOMKY-UHFFFAOYSA-N 1 0 332.423 2.456 10 10 EECERO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294480559 464512982 /nfs/dbraw/zinc/51/29/82/464512982.db2.gz AMADXLYUPPNCRS-GFCCVEGCSA-N 1 0 329.847 2.300 10 10 EECERO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000777568026 577481863 /nfs/dbraw/zinc/48/18/63/577481863.db2.gz WGHBSFKTVGCQCX-CYBMUJFWSA-N 1 0 342.361 2.381 10 10 EECERO COc1cc(Cl)cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1O ZINC000761215289 577679421 /nfs/dbraw/zinc/67/94/21/577679421.db2.gz JFJJPKAEHCJUMG-UHFFFAOYSA-N 1 0 347.864 2.359 10 10 EECERO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(F)ccc1O ZINC000757655802 577861894 /nfs/dbraw/zinc/86/18/94/577861894.db2.gz LBOCACOYLKVTTQ-IUODEOHRSA-N 1 0 346.406 2.107 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000749564964 577978196 /nfs/dbraw/zinc/97/81/96/577978196.db2.gz ZXWNTXUKYADBGH-ROUUACIJSA-N 1 0 345.487 2.117 10 10 EECERO COC(=O)c1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895471468 684616391 /nfs/dbraw/zinc/61/63/91/684616391.db2.gz WQFDVMHZSGVBMQ-TXEJJXNPSA-N 1 0 332.375 2.182 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cncnc2)C(C)C)cc1C ZINC001271829244 1186531463 /nfs/dbraw/zinc/53/14/63/1186531463.db2.gz CWLPFVSIERHYSE-KRWDZBQOSA-N 1 0 342.443 2.338 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@]23C[C@@H]2CCCC3)cc1C ZINC001482766759 1187703189 /nfs/dbraw/zinc/70/31/89/1187703189.db2.gz NMPJAVJVEHAPOO-ZWOKBUDYSA-N 1 0 346.471 2.151 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccnc(C)n2)cc1C ZINC001483196641 1189087299 /nfs/dbraw/zinc/08/72/99/1189087299.db2.gz MBURFHPMWJACBH-CYBMUJFWSA-N 1 0 328.416 2.010 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C[NH2+]CCCF)cc1 ZINC001671388825 1190601826 /nfs/dbraw/zinc/60/18/26/1190601826.db2.gz FAHVUQUWLIEEDH-AWEZNQCLSA-N 1 0 335.383 2.403 10 10 EECERO COc1cnc(F)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877637601 1199998176 /nfs/dbraw/zinc/99/81/76/1199998176.db2.gz XLQWPCBSKGFYCY-UHFFFAOYSA-N 1 0 345.418 2.480 10 10 EECERO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000868966479 1201913870 /nfs/dbraw/zinc/91/38/70/1201913870.db2.gz PUMWYJIVNLGMCF-CVEARBPZSA-N 1 0 348.443 2.014 10 10 EECERO OC1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000925715001 1206145633 /nfs/dbraw/zinc/14/56/33/1206145633.db2.gz BBPFOXPXIANDMW-IBGZPJMESA-N 1 0 329.488 2.412 10 10 EECERO C[NH+](C)C1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC001626154406 1225600399 /nfs/dbraw/zinc/60/03/99/1225600399.db2.gz LQCPBCXYWGFUJZ-UHFFFAOYSA-N 1 0 349.450 2.153 10 10 EECERO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CC[NH2+]1 ZINC000827320953 1247907076 /nfs/dbraw/zinc/90/70/76/1247907076.db2.gz QSBSDAFWVVJUNV-HOCLYGCPSA-N 1 0 333.501 2.244 10 10 EECERO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000826845130 1248089248 /nfs/dbraw/zinc/08/92/48/1248089248.db2.gz GGCXFAZTPFBACM-CYBMUJFWSA-N 1 0 330.384 2.443 10 10 EECERO COc1cccc([C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)c1O ZINC000850492890 1277245849 /nfs/dbraw/zinc/24/58/49/1277245849.db2.gz GWMLKZKDCHSQMQ-FPVGNUTFSA-N 1 0 325.352 2.362 10 10 EECERO CN(C)c1ccc(CN(C(=O)NCC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000851677526 1277715181 /nfs/dbraw/zinc/71/51/81/1277715181.db2.gz RSZSNQZMDAFYRC-UHFFFAOYSA-N 1 0 328.460 2.179 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC000855226632 1293118933 /nfs/dbraw/zinc/11/89/33/1293118933.db2.gz RLGBTWLOBMRWMW-OAHLLOKOSA-N 1 0 336.395 2.352 10 10 EECERO Cc1ccc(O)c(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856534727 1293560139 /nfs/dbraw/zinc/56/01/39/1293560139.db2.gz ZSJWZUOSOHMETK-DLBZAZTESA-N 1 0 325.412 2.051 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1F ZINC000858186563 1294037136 /nfs/dbraw/zinc/03/71/36/1294037136.db2.gz GSYZBROTBQGFSD-UHFFFAOYSA-N 1 0 346.443 2.335 10 10 EECERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000858489139 1294131808 /nfs/dbraw/zinc/13/18/08/1294131808.db2.gz UOEVZXFSTHFUKI-ZIAGYGMSSA-N 1 0 338.415 2.068 10 10 EECERO C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C[NH2+]1 ZINC000861691777 1295508848 /nfs/dbraw/zinc/50/88/48/1295508848.db2.gz ZBNMVPMNWVGREU-KOLCDFICSA-N 1 0 342.237 2.094 10 10 EECERO [NH3+]C1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOCC1 ZINC000863645769 1296362570 /nfs/dbraw/zinc/36/25/70/1296362570.db2.gz NGGHURHMQSQSDD-UHFFFAOYSA-N 1 0 348.447 2.183 10 10 EECERO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000799146673 1305167058 /nfs/dbraw/zinc/16/70/58/1305167058.db2.gz AJDZVUNVULPYFY-NVXWUHKLSA-N 1 0 329.400 2.279 10 10 EECERO CN1CCN(c2ccc(C[NH2+]CCOCC3CCC3)cc2F)CC1 ZINC001118170776 1306302504 /nfs/dbraw/zinc/30/25/04/1306302504.db2.gz RLSGMKFWMPEFTM-UHFFFAOYSA-N 1 0 335.467 2.484 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1F ZINC000841797933 1315614618 /nfs/dbraw/zinc/61/46/18/1315614618.db2.gz CXWVJHRSZRCDIQ-BBRMVZONSA-N 1 0 336.455 2.469 10 10 EECERO C[C@@H]([NH2+]CCF)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001279047147 1319080794 /nfs/dbraw/zinc/08/07/94/1319080794.db2.gz VEOZITJETWDOIQ-DGCLKSJQSA-N 1 0 335.383 2.259 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cnco2)C2CC2)cc1C ZINC001276634073 1324905813 /nfs/dbraw/zinc/90/58/13/1324905813.db2.gz OWFHYWTULZXGJX-HNNXBMFYSA-N 1 0 329.400 2.290 10 10 EECERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001292065543 1328359296 /nfs/dbraw/zinc/35/92/96/1328359296.db2.gz IRLCLGUGQJRZER-GOSISDBHSA-N 1 0 345.487 2.260 10 10 EECERO CC[C@H](C)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000901676050 1331520875 /nfs/dbraw/zinc/52/08/75/1331520875.db2.gz VGZOALXGVLEULQ-MAUKXSAKSA-N 1 0 333.476 2.417 10 10 EECERO CCn1nccc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317234687 1332146708 /nfs/dbraw/zinc/14/67/08/1332146708.db2.gz NTHRJZLBTPTFPI-CQSZACIVSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(F)cn2)cc1C ZINC001317234942 1332147048 /nfs/dbraw/zinc/14/70/48/1332147048.db2.gz OJNBYSSGDVNUPC-CYBMUJFWSA-N 1 0 331.391 2.446 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@]2(C)CCCOC2)cc1C ZINC001317644835 1332345430 /nfs/dbraw/zinc/34/54/30/1332345430.db2.gz CAFXYOURKSRCDN-IBGZPJMESA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ncoc2C)cc1C ZINC001320987288 1332992540 /nfs/dbraw/zinc/99/25/40/1332992540.db2.gz YNGFUVYBDYMWIT-SNAWJCMRSA-N 1 0 329.400 2.376 10 10 EECERO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809593361 783237681 /nfs/dbraw/zinc/23/76/81/783237681.db2.gz VOVAVUDDDTWYIN-BGYRXZFFSA-N 1 0 338.451 2.177 10 10 EECERO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(N(C)C)cc1C)CC2 ZINC000840917009 783251170 /nfs/dbraw/zinc/25/11/70/783251170.db2.gz MYJYXXQMUVHWJD-UHFFFAOYSA-N 1 0 326.444 2.196 10 10 EECERO Cc1cc(CC(=O)N(C)CC[N@H+](C)CCO)c(C)n1-c1ccccc1 ZINC000912602073 788260812 /nfs/dbraw/zinc/26/08/12/788260812.db2.gz XMOQPIRPOZMPMN-UHFFFAOYSA-N 1 0 343.471 2.019 10 10 EECERO O[C@@H]([C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000825124205 788447744 /nfs/dbraw/zinc/44/77/44/788447744.db2.gz JZWQHUWYDCJDJE-ZBFHGGJFSA-N 1 0 344.377 2.268 10 10 EECERO Cc1cc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c(C)n1-c1ccccc1 ZINC000913166498 788674574 /nfs/dbraw/zinc/67/45/74/788674574.db2.gz CDEJWKQFCVOCMD-QUCCMNQESA-N 1 0 341.455 2.165 10 10 EECERO COC(=O)c1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)nc1 ZINC000844401808 789068669 /nfs/dbraw/zinc/06/86/69/789068669.db2.gz NJEHGTMBVQPHTG-UHFFFAOYSA-N 1 0 343.427 2.445 10 10 EECERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC001175426488 798104411 /nfs/dbraw/zinc/10/44/11/798104411.db2.gz JIFHLRQQTBVJIJ-RYUDHWBXSA-N 1 0 327.384 2.169 10 10 EECERO CCO[C@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)CN(C)C ZINC000922755247 801821650 /nfs/dbraw/zinc/82/16/50/801821650.db2.gz ZIEXIAFMTITRCJ-LJQANCHMSA-N 1 0 335.492 2.220 10 10 EECERO C[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC001445786082 1091652120 /nfs/dbraw/zinc/65/21/20/1091652120.db2.gz GSLADBLSTVGTME-PBHICJAKSA-N 1 0 340.423 2.420 10 10 EECERO Cc1nc(CN2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)no1 ZINC000069948373 215640015 /nfs/dbraw/zinc/64/00/15/215640015.db2.gz NYDGIZPSQTXBBH-MRXNPFEDSA-N 1 0 328.416 2.067 10 10 EECERO C[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000156917578 463081915 /nfs/dbraw/zinc/08/19/15/463081915.db2.gz NDSZLLJDJKBHTB-GZWGRDOWSA-N 1 0 343.471 2.122 10 10 EECERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000080526622 463327586 /nfs/dbraw/zinc/32/75/86/463327586.db2.gz NDUNKHWDFKIQAR-KRWDZBQOSA-N 1 0 341.459 2.080 10 10 EECERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1O ZINC000271661271 464355905 /nfs/dbraw/zinc/35/59/05/464355905.db2.gz DJZUTLHFMPUADW-CVEARBPZSA-N 1 0 328.416 2.362 10 10 EECERO COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000268119580 464952739 /nfs/dbraw/zinc/95/27/39/464952739.db2.gz HGNYYEFMJGKTLM-RCQQVGEISA-N 1 0 333.388 2.311 10 10 EECERO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000367689973 466492954 /nfs/dbraw/zinc/49/29/54/466492954.db2.gz SSRGPFAIYLWMAW-FLFBIERCSA-N 1 0 328.456 2.378 10 10 EECERO COC(=O)/C=C\c1ccc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190548 577212246 /nfs/dbraw/zinc/21/22/46/577212246.db2.gz GVFCMZSFZNVYKM-UVCVVPOWSA-N 1 0 345.399 2.454 10 10 EECERO C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000772465569 577274152 /nfs/dbraw/zinc/27/41/52/577274152.db2.gz KFZPTSNHHGUPPK-CYBMUJFWSA-N 1 0 332.427 2.233 10 10 EECERO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000734847312 577329801 /nfs/dbraw/zinc/32/98/01/577329801.db2.gz IGHARZZAHQKJCN-LJQANCHMSA-N 1 0 330.403 2.486 10 10 EECERO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765955466 577510020 /nfs/dbraw/zinc/51/00/20/577510020.db2.gz VVGCRTGRRDPMSA-WHEQGISXSA-N 1 0 328.453 2.082 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000757404852 577859533 /nfs/dbraw/zinc/85/95/33/577859533.db2.gz GBJBOTHQCPICPW-MJGOQNOKSA-N 1 0 345.487 2.212 10 10 EECERO Cc1cc(O)c(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840889378 682705566 /nfs/dbraw/zinc/70/55/66/682705566.db2.gz FZLPJJXXLKXDPB-CYBMUJFWSA-N 1 0 339.867 2.031 10 10 EECERO COC(=O)c1c(C[NH2+]C[C@H](CO)C(C)C)c2cc(F)ccc2n1C ZINC000894759601 683068503 /nfs/dbraw/zinc/06/85/03/683068503.db2.gz CEFFDROTMJGHGJ-GFCCVEGCSA-N 1 0 336.407 2.458 10 10 EECERO OCCOCC1(O)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000895827323 684733010 /nfs/dbraw/zinc/73/30/10/684733010.db2.gz MZPQYQZIZPWHLC-UHFFFAOYSA-N 1 0 348.487 2.013 10 10 EECERO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814814 684734441 /nfs/dbraw/zinc/73/44/41/684734441.db2.gz UZTVCCIOKIIJKK-IAGOWNOFSA-N 1 0 333.501 2.372 10 10 EECERO O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1C[NH+]([C@H]2CCOC2)C1 ZINC000897769416 691769832 /nfs/dbraw/zinc/76/98/32/691769832.db2.gz PBSKCKNBKZCBNG-LBPRGKRZSA-N 1 0 345.226 2.036 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ncc[nH]2)cc1C ZINC001485721341 1191908949 /nfs/dbraw/zinc/90/89/49/1191908949.db2.gz MCBJMGGTISIJMV-CQSZACIVSA-N 1 0 330.432 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001482740928 1187699884 /nfs/dbraw/zinc/69/98/84/1187699884.db2.gz FIAUDLHAUQJSEW-RHSMWYFYSA-N 1 0 334.460 2.007 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C2CCCC2)cc1C ZINC001482784649 1187720295 /nfs/dbraw/zinc/72/02/95/1187720295.db2.gz LDUZEOSCDUWCNS-QAPCUYQASA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC2(O)CCC2)cc1C ZINC001482831821 1187751599 /nfs/dbraw/zinc/75/15/99/1187751599.db2.gz RJKDEOPCBRXSEE-HNNXBMFYSA-N 1 0 334.460 2.293 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001275396370 1205337555 /nfs/dbraw/zinc/33/75/55/1205337555.db2.gz YAPKZNCQGGOBKI-KGLIPLIRSA-N 1 0 330.432 2.332 10 10 EECERO C[NH+](C)CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccnc1 ZINC000928835165 1206426082 /nfs/dbraw/zinc/42/60/82/1206426082.db2.gz XULMUERMCHZEEE-QKIRZYONSA-N 1 0 341.411 2.315 10 10 EECERO c1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nn1 ZINC000931005684 1206599072 /nfs/dbraw/zinc/59/90/72/1206599072.db2.gz JKORPTKQXQBJIP-LJQANCHMSA-N 1 0 341.459 2.342 10 10 EECERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Br)cc1O ZINC000903261256 1240128548 /nfs/dbraw/zinc/12/85/48/1240128548.db2.gz VBBOBOIECVZDGE-SILCLGDVSA-N 1 0 327.222 2.459 10 10 EECERO COc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000827092964 1249851571 /nfs/dbraw/zinc/85/15/71/1249851571.db2.gz BITISAIWSQQKJA-BFUOFWGJSA-N 1 0 349.427 2.191 10 10 EECERO CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903533554 1240827922 /nfs/dbraw/zinc/82/79/22/1240827922.db2.gz HYDBQQMBTFEUEB-QWHCGFSZSA-N 1 0 334.313 2.445 10 10 EECERO Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000826894421 1248113000 /nfs/dbraw/zinc/11/30/00/1248113000.db2.gz PDEUYYPGAZUXKL-AAEUAGOBSA-N 1 0 337.363 2.108 10 10 EECERO CO[C@]1(CO)CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000826952660 1248223298 /nfs/dbraw/zinc/22/32/98/1248223298.db2.gz ONVCRSTWNSFEMU-OAHLLOKOSA-N 1 0 344.249 2.436 10 10 EECERO CCOc1ccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c(O)c1 ZINC000850353305 1277195942 /nfs/dbraw/zinc/19/59/42/1277195942.db2.gz ZTQHXQMKHDAUTK-INIZCTEOSA-N 1 0 326.396 2.468 10 10 EECERO COC[C@H](CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000850485528 1277243302 /nfs/dbraw/zinc/24/33/02/1277243302.db2.gz KRTFVVUWGGKGQU-ZBFHGGJFSA-N 1 0 340.439 2.364 10 10 EECERO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000850510431 1277255626 /nfs/dbraw/zinc/25/56/26/1277255626.db2.gz WGKQXSVIPNWCMS-PXNSSMCTSA-N 1 0 348.487 2.496 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000851640178 1277696588 /nfs/dbraw/zinc/69/65/88/1277696588.db2.gz RTSGDXFREJQGIA-KRWDZBQOSA-N 1 0 337.423 2.307 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cnc(C)cn2)cc1C ZINC001273823995 1286464373 /nfs/dbraw/zinc/46/43/73/1286464373.db2.gz VLXVVZZNYGPHMC-PLNGDYQASA-N 1 0 340.427 2.178 10 10 EECERO CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852179984 1292028534 /nfs/dbraw/zinc/02/85/34/1292028534.db2.gz DGZVPPMPFIUFKW-INIZCTEOSA-N 1 0 346.475 2.057 10 10 EECERO CC(=O)c1cc(F)cc(CN2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000852760571 1292190119 /nfs/dbraw/zinc/19/01/19/1292190119.db2.gz ITXQWQVYPRZNFR-MRXNPFEDSA-N 1 0 338.423 2.277 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)C2)cc1 ZINC000852899626 1292227495 /nfs/dbraw/zinc/22/74/95/1292227495.db2.gz AXKATQYQHZLBTF-OHQAAIJDSA-N 1 0 343.471 2.311 10 10 EECERO CCc1cccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O ZINC000856535504 1293559276 /nfs/dbraw/zinc/55/92/76/1293559276.db2.gz BAJHDJMVEYTZTR-ZWKOTPCHSA-N 1 0 339.439 2.305 10 10 EECERO C[C@@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)C[N@@H+]1CCO ZINC000862396681 1295826931 /nfs/dbraw/zinc/82/69/31/1295826931.db2.gz WDBZUSPDYHQTMZ-NEPJUHHUSA-N 1 0 343.265 2.042 10 10 EECERO CN(C)c1cc(F)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1F ZINC000862417380 1295840500 /nfs/dbraw/zinc/84/05/00/1295840500.db2.gz AYRMWRLISFBHQK-OAHLLOKOSA-N 1 0 339.430 2.062 10 10 EECERO COc1cc(C)cc(C[NH+]2CCN(c3nccnc3C)CC2)c1O ZINC000799573106 1305308527 /nfs/dbraw/zinc/30/85/27/1305308527.db2.gz CVMALKJLDPSMNB-UHFFFAOYSA-N 1 0 328.416 2.130 10 10 EECERO Cc1cc(N(C)C)ccc1C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000840913503 1315434667 /nfs/dbraw/zinc/43/46/67/1315434667.db2.gz HIKJPMRJQFWUBV-UHFFFAOYSA-N 1 0 327.476 2.112 10 10 EECERO CNC(=O)[C@H](C[NH2+]Cc1ccccc1O)Cc1ccc(OC)c(F)c1 ZINC000842718620 1315760446 /nfs/dbraw/zinc/76/04/46/1315760446.db2.gz QJALUETUZFUADY-HNNXBMFYSA-N 1 0 346.402 2.234 10 10 EECERO COc1c([O-])c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043961 1315827255 /nfs/dbraw/zinc/82/72/55/1315827255.db2.gz DUIBYEOZHBQNBB-OCCSQVGLSA-N 1 0 335.404 2.273 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3cnoc3)C2)cc1C ZINC001263842109 1322534816 /nfs/dbraw/zinc/53/48/16/1322534816.db2.gz HBJMZRIVUKHJEX-WOVMCDHWSA-N 1 0 343.427 2.219 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cnsn2)cc1C ZINC001281695706 1325404273 /nfs/dbraw/zinc/40/42/73/1325404273.db2.gz CFEHVZOFIKRQRC-LBPRGKRZSA-N 1 0 334.445 2.153 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cnnc(C)c2)cc1C ZINC001317390478 1332211364 /nfs/dbraw/zinc/21/13/64/1332211364.db2.gz PHIKTTKKKJDXMQ-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO CC[C@@H](CNC(=O)Cc1ccon1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318511616 1332553554 /nfs/dbraw/zinc/55/35/54/1332553554.db2.gz KYSNWVDSWAYNTR-HNNXBMFYSA-N 1 0 331.416 2.219 10 10 EECERO CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@H]4C[N@H+](C)C[C@H]43)ccc21 ZINC001347326537 1337504021 /nfs/dbraw/zinc/50/40/21/1337504021.db2.gz JKQQCMKHZOFZQV-RCCFBDPRSA-N 1 0 342.487 2.208 10 10 EECERO CC(=O)c1cc(F)cc(C[NH+]2CCC(Cc3nncn3C)CC2)c1O ZINC001644582806 1352763973 /nfs/dbraw/zinc/76/39/73/1352763973.db2.gz YPOMNZWMITYDCG-UHFFFAOYSA-N 1 0 346.406 2.317 10 10 EECERO COC(=O)/C=C/c1ccc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001655630141 1354180579 /nfs/dbraw/zinc/18/05/79/1354180579.db2.gz XDUPCTGQEWJFNH-WBNAFJIESA-N 1 0 345.399 2.169 10 10 EECERO C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C(=O)[O-] ZINC000818631084 785309978 /nfs/dbraw/zinc/30/99/78/785309978.db2.gz CAOUOGFEGAMLJZ-QAPCUYQASA-N 1 0 331.460 2.124 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000820595475 786002549 /nfs/dbraw/zinc/00/25/49/786002549.db2.gz MEIZEANHOQWTPK-TUPWZPNASA-N 1 0 333.388 2.310 10 10 EECERO O=C1O[C@@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CN1C1CC1 ZINC000844308020 789003644 /nfs/dbraw/zinc/00/36/44/789003644.db2.gz VYWCFQWAGHMROK-IRXDYDNUSA-N 1 0 346.427 2.356 10 10 EECERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001543809111 1124135076 /nfs/dbraw/zinc/13/50/76/1124135076.db2.gz FEXJEBFSNNXKCL-MJGOQNOKSA-N 1 0 345.487 2.260 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](OC)C2CCC2)cc1C ZINC001569009755 1125039336 /nfs/dbraw/zinc/03/93/36/1125039336.db2.gz PSVOKDPACRZGBV-RDTXWAMCSA-N 1 0 334.460 2.413 10 10 EECERO COCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569156368 1125133603 /nfs/dbraw/zinc/13/36/03/1125133603.db2.gz XNGRGQYSRCYXLY-SJORKVTESA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@]2(C)CCOC2)C2CC2)cc1C ZINC001569324444 1125230622 /nfs/dbraw/zinc/23/06/22/1125230622.db2.gz STOGBGUBBYVCFA-XLIONFOSSA-N 1 0 346.471 2.415 10 10 EECERO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CN1CCc2ccccc2C1 ZINC000054174625 214222137 /nfs/dbraw/zinc/22/21/37/214222137.db2.gz OTTJRWDOEIMTHP-FQEVSTJZSA-N 1 0 338.451 2.130 10 10 EECERO c1cn(CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nn1 ZINC000092098270 237038130 /nfs/dbraw/zinc/03/81/30/237038130.db2.gz WNGKPEOKEBVLCK-UHFFFAOYSA-N 1 0 341.459 2.027 10 10 EECERO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000069595680 463283522 /nfs/dbraw/zinc/28/35/22/463283522.db2.gz SJQOWBWETJKTGS-UHFFFAOYSA-N 1 0 328.387 2.209 10 10 EECERO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000295276738 464772243 /nfs/dbraw/zinc/77/22/43/464772243.db2.gz IBIRENYDDVCVGN-LBPRGKRZSA-N 1 0 328.815 2.339 10 10 EECERO CCOC(=O)c1csc(CC[NH2+]Cc2cc(OC)ccc2O)n1 ZINC000191513204 464817737 /nfs/dbraw/zinc/81/77/37/464817737.db2.gz UCWUETZIKWYGDT-UHFFFAOYSA-N 1 0 336.413 2.366 10 10 EECERO C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000177056967 464918405 /nfs/dbraw/zinc/91/84/05/464918405.db2.gz PZOQSSPRSCGHFS-VQIMIIECSA-N 1 0 346.519 2.126 10 10 EECERO O=C1NN(c2ccccc2)C(=O)/C1=C\c1nccn1Cc1ccccc1 ZINC000734095092 577277272 /nfs/dbraw/zinc/27/72/72/577277272.db2.gz JUIVFNZCNGSDSI-LGMDPLHJSA-N 1 0 344.374 2.393 10 10 EECERO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000772959553 577307786 /nfs/dbraw/zinc/30/77/86/577307786.db2.gz ACROBBHWGQWCPJ-OAHLLOKOSA-N 1 0 339.505 2.219 10 10 EECERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000774685504 577411134 /nfs/dbraw/zinc/41/11/34/577411134.db2.gz BQEXBMDDTHTZSB-CABCVRRESA-N 1 0 337.416 2.252 10 10 EECERO COC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000749287174 577974061 /nfs/dbraw/zinc/97/40/61/577974061.db2.gz DGPXEXLQBTVPBH-QGZVFWFLSA-N 1 0 337.420 2.072 10 10 EECERO Cn1ccnc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000741263551 578115828 /nfs/dbraw/zinc/11/58/28/578115828.db2.gz KUZFCKYRHRNRHM-AWEZNQCLSA-N 1 0 348.834 2.174 10 10 EECERO COCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000127758111 678413090 /nfs/dbraw/zinc/41/30/90/678413090.db2.gz GWDPDLDKEHERGA-UHFFFAOYSA-N 1 0 346.471 2.246 10 10 EECERO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000914201112 683355407 /nfs/dbraw/zinc/35/54/07/683355407.db2.gz XCLXVWVDRFSGCA-PBHICJAKSA-N 1 0 348.516 2.132 10 10 EECERO CN(C)C(=O)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000162608966 684787852 /nfs/dbraw/zinc/78/78/52/684787852.db2.gz FYCABAQWMLUBBP-UHFFFAOYSA-N 1 0 341.249 2.455 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cnn(C)c2C)cc1C ZINC001482254979 1184750861 /nfs/dbraw/zinc/75/08/61/1184750861.db2.gz JKPBHHBCVDOSNW-CQSZACIVSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CO[C@@H](C)C2)cc1C ZINC001483476887 1190498620 /nfs/dbraw/zinc/49/86/20/1190498620.db2.gz KVXRCQBTNJSGFF-RDJZCZTQSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cnn(C)c2C)cc1C ZINC001485122678 1191661544 /nfs/dbraw/zinc/66/15/44/1191661544.db2.gz SSDJEFQIWMLFMP-KBPBESRZSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001485127772 1191662942 /nfs/dbraw/zinc/66/29/42/1191662942.db2.gz CBJZBJDXJGDWCW-QWHCGFSZSA-N 1 0 330.432 2.332 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2ccnc2)cc1C ZINC001485177266 1191677647 /nfs/dbraw/zinc/67/76/47/1191677647.db2.gz NUPPZCJXBWAWSA-CVEARBPZSA-N 1 0 344.459 2.273 10 10 EECERO C[C@@H]([NH2+]C1COCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000813879592 1199201638 /nfs/dbraw/zinc/20/16/38/1199201638.db2.gz OAOKXGBTGCYIIW-CYBMUJFWSA-N 1 0 340.851 2.243 10 10 EECERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCOC1C[NH2+]C1 ZINC000826036035 1200414161 /nfs/dbraw/zinc/41/41/61/1200414161.db2.gz UICHXBNMFLPYFU-UHFFFAOYSA-N 1 0 331.460 2.014 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cnns2)cc1C ZINC001275891662 1205577262 /nfs/dbraw/zinc/57/72/62/1205577262.db2.gz VDDOVGMQIZUTLG-UHFFFAOYSA-N 1 0 334.445 2.107 10 10 EECERO CS[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1N(C)C ZINC000930128694 1206536167 /nfs/dbraw/zinc/53/61/67/1206536167.db2.gz NJSITFZKLZRBLR-MSOLQXFVSA-N 1 0 335.517 2.001 10 10 EECERO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CO1 ZINC000850060024 1277010822 /nfs/dbraw/zinc/01/08/22/1277010822.db2.gz PQYSPDZOUHQHPU-SOLBZPMBSA-N 1 0 331.460 2.045 10 10 EECERO COc1ccnc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC000850380970 1277204727 /nfs/dbraw/zinc/20/47/27/1277204727.db2.gz RVGVMKHOECSOMU-UHFFFAOYSA-N 1 0 344.434 2.271 10 10 EECERO Cc1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccn1 ZINC000858104293 1294007738 /nfs/dbraw/zinc/00/77/38/1294007738.db2.gz FSENMVPFBYAYNJ-SFHVURJKSA-N 1 0 338.455 2.382 10 10 EECERO O=C1O[C@H](C[NH2+]Cc2c(O)cccc2Br)CN1C1CC1 ZINC000858185410 1294037486 /nfs/dbraw/zinc/03/74/86/1294037486.db2.gz DBIZACGZHNZABH-SNVBAGLBSA-N 1 0 341.205 2.228 10 10 EECERO CCOCc1cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)ccc1OC ZINC000858341459 1294089371 /nfs/dbraw/zinc/08/93/71/1294089371.db2.gz ATGXANFCCGGVQJ-QGZVFWFLSA-N 1 0 332.444 2.475 10 10 EECERO C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000863542495 1296326954 /nfs/dbraw/zinc/32/69/54/1296326954.db2.gz WBBQVWYVGLVJGC-SECBINFHSA-N 1 0 347.228 2.452 10 10 EECERO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)NCC2CCC2)c(Cl)c1 ZINC000840896362 1315429814 /nfs/dbraw/zinc/42/98/14/1315429814.db2.gz HVNKJPJTDLHFBM-UHFFFAOYSA-N 1 0 346.880 2.163 10 10 EECERO CN1CCCc2cc(CNC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccc21 ZINC000841758176 1315609172 /nfs/dbraw/zinc/60/91/72/1315609172.db2.gz FGPPUYLVSGMLCW-CALCHBBNSA-N 1 0 328.460 2.105 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000841832852 1315620080 /nfs/dbraw/zinc/62/00/80/1315620080.db2.gz VKMUNLKNMABQRY-HDICACEKSA-N 1 0 340.471 2.204 10 10 EECERO CCOc1ccc(N2CCN(C(=O)CC[N@@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001151503347 1316545925 /nfs/dbraw/zinc/54/59/25/1316545925.db2.gz QLRGVDMWJDJEGR-MRXNPFEDSA-N 1 0 349.450 2.168 10 10 EECERO CCN(CC)c1ccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1F ZINC001262153219 1322249182 /nfs/dbraw/zinc/24/91/82/1322249182.db2.gz UZRQAIURNSUEGY-MRXNPFEDSA-N 1 0 349.450 2.009 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001295225219 1329791343 /nfs/dbraw/zinc/79/13/43/1329791343.db2.gz QXASHPUIFPCSCV-HOCLYGCPSA-N 1 0 330.428 2.116 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccn[nH]3)CCC2)cc1C ZINC001326785540 1334159355 /nfs/dbraw/zinc/15/93/55/1334159355.db2.gz MEMASVGOROQEIH-UHFFFAOYSA-N 1 0 328.416 2.169 10 10 EECERO COCC1(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001329085274 1334582606 /nfs/dbraw/zinc/58/26/06/1334582606.db2.gz JDCTUVPZQCFSMS-LSDHHAIUSA-N 1 0 334.460 2.413 10 10 EECERO C[C@@H]([NH3+])CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001329239056 1334612915 /nfs/dbraw/zinc/61/29/15/1334612915.db2.gz IGOSGWDKUPCNEX-CRAIPNDOSA-N 1 0 333.476 2.388 10 10 EECERO CN(C(=O)Cc1ccc(O)c(O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC001617202656 1352338277 /nfs/dbraw/zinc/33/82/77/1352338277.db2.gz QWEUPNBMDNDRQA-UHFFFAOYSA-N 1 0 344.411 2.244 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](OC)C2CC2)cc1C ZINC001676341420 1357137340 /nfs/dbraw/zinc/13/73/40/1357137340.db2.gz GNYHGNBSMJCYPG-KDOFPFPSSA-N 1 0 334.460 2.365 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1csnn1 ZINC001668510490 1355954538 /nfs/dbraw/zinc/95/45/38/1355954538.db2.gz UJSHMDREAIHNQR-UHFFFAOYSA-N 1 0 334.445 2.107 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ncccn1 ZINC001668592856 1355969140 /nfs/dbraw/zinc/96/91/40/1355969140.db2.gz VIHQYDKRZLXGER-UHFFFAOYSA-N 1 0 328.416 2.046 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](O)CC(C)(C)C)cc2)CC1 ZINC000918852426 769433449 /nfs/dbraw/zinc/43/34/49/769433449.db2.gz NPHNBTAACWVXTJ-GOSISDBHSA-N 1 0 347.503 2.242 10 10 EECERO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000237960580 774469867 /nfs/dbraw/zinc/46/98/67/774469867.db2.gz SLZMKXADVDORFP-SFHVURJKSA-N 1 0 344.430 2.356 10 10 EECERO COc1cc(O)c(C[NH2+]CCOc2ccc(C#N)cc2)cc1OC ZINC000182480686 779090083 /nfs/dbraw/zinc/09/00/83/779090083.db2.gz AOGDCKGYKKJPTJ-UHFFFAOYSA-N 1 0 328.368 2.450 10 10 EECERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817415348 784767716 /nfs/dbraw/zinc/76/77/16/784767716.db2.gz RLCSQKQEICQNBH-OAHLLOKOSA-N 1 0 346.431 2.153 10 10 EECERO Cc1cc(C[N@@H+]2CCC[C@](O)(CC(N)=O)C2)ccc1N1CCCCC1 ZINC000818233922 785225256 /nfs/dbraw/zinc/22/52/56/785225256.db2.gz FPOLSGDWQONQMO-FQEVSTJZSA-N 1 0 345.487 2.188 10 10 EECERO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341939 785246015 /nfs/dbraw/zinc/24/60/15/785246015.db2.gz JICXNLOPRHGXOB-HOTGVXAUSA-N 1 0 329.448 2.181 10 10 EECERO O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCN1C1CCC1 ZINC000708669743 786839073 /nfs/dbraw/zinc/83/90/73/786839073.db2.gz FXDQNHBWQYMJIH-ZDUSSCGKSA-N 1 0 339.233 2.398 10 10 EECERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000824575878 788221538 /nfs/dbraw/zinc/22/15/38/788221538.db2.gz STOXDRSUNLKNAK-GXSJLCMTSA-N 1 0 327.222 2.241 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCCN3CCO)CC2)cc1 ZINC000824582944 788245834 /nfs/dbraw/zinc/24/58/34/788245834.db2.gz FILNKLHSFAUEEX-IBGZPJMESA-N 1 0 347.503 2.100 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc1OC ZINC000846009970 790021756 /nfs/dbraw/zinc/02/17/56/790021756.db2.gz BYAJYBGIXIEIMS-FQEVSTJZSA-N 1 0 343.423 2.376 10 10 EECERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000846047248 790036401 /nfs/dbraw/zinc/03/64/01/790036401.db2.gz MDXSLHJVICKCGI-UONOGXRCSA-N 1 0 332.366 2.353 10 10 EECERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Br)cc1O ZINC000846191050 790084340 /nfs/dbraw/zinc/08/43/40/790084340.db2.gz AHXMXPKTRCNYMX-IINYFYTJSA-N 1 0 330.222 2.347 10 10 EECERO C[NH+]1CCN(c2ccc(CN[C@@H](c3ncccn3)C3CC3)cc2)CC1 ZINC000922579012 801362093 /nfs/dbraw/zinc/36/20/93/801362093.db2.gz OCEHGMIAGXHAJQ-LJQANCHMSA-N 1 0 337.471 2.469 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@]1(F)CCOC1 ZINC001497442245 1102494947 /nfs/dbraw/zinc/49/49/47/1102494947.db2.gz DDWLEAHPWXUDJQ-SFHVURJKSA-N 1 0 338.423 2.070 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001497482743 1102559325 /nfs/dbraw/zinc/55/93/25/1102559325.db2.gz QIGFRXZVUCHZTG-FXAWDEMLSA-N 1 0 346.471 2.368 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cnsn2)cc1C ZINC001505565003 1114053064 /nfs/dbraw/zinc/05/30/64/1114053064.db2.gz GUCFWOLMANUBRS-VXGBXAGGSA-N 1 0 334.445 2.152 10 10 EECERO C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001507299265 1115180499 /nfs/dbraw/zinc/18/04/99/1115180499.db2.gz UIGYDAQGBPHGOZ-RISCZKNCSA-N 1 0 335.383 2.401 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCc2ccncn2)cc1C ZINC001569060328 1125072173 /nfs/dbraw/zinc/07/21/73/1125072173.db2.gz OSVHGJDQQQERLT-HNNXBMFYSA-N 1 0 342.443 2.021 10 10 EECERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000152732809 462574872 /nfs/dbraw/zinc/57/48/72/462574872.db2.gz HVLKDJSPZAKXBV-CQSZACIVSA-N 1 0 344.415 2.241 10 10 EECERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180960209 464427350 /nfs/dbraw/zinc/42/73/50/464427350.db2.gz XJJXKFHFZTUHQH-KAMXEHQASA-N 1 0 340.423 2.400 10 10 EECERO CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000282853497 464975965 /nfs/dbraw/zinc/97/59/65/464975965.db2.gz PRASFNAJFKDIJP-CRAIPNDOSA-N 1 0 335.444 2.448 10 10 EECERO COc1cc(Br)cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000372364277 466330469 /nfs/dbraw/zinc/33/04/69/466330469.db2.gz FUIBCIOYSQZFAZ-LBPRGKRZSA-N 1 0 328.206 2.120 10 10 EECERO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291646220 534143079 /nfs/dbraw/zinc/14/30/79/534143079.db2.gz JGLAWMIHUFJNJF-XIKOKIGWSA-N 1 0 338.423 2.358 10 10 EECERO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000725848737 576067870 /nfs/dbraw/zinc/06/78/70/576067870.db2.gz FVCPJJFJEISAFF-UHFFFAOYSA-N 1 0 330.771 2.431 10 10 EECERO C[C@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000775837001 577446935 /nfs/dbraw/zinc/44/69/35/577446935.db2.gz QAFNUCLTDJDWQL-KSSFIOAISA-N 1 0 331.460 2.041 10 10 EECERO Oc1cc2c(cc1C[NH+]1CCN(c3ccccc3)CC1)[C@@H](O)CO2 ZINC000768437752 577555531 /nfs/dbraw/zinc/55/55/31/577555531.db2.gz FWTRHVPWDSANOX-SFHVURJKSA-N 1 0 326.396 2.140 10 10 EECERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000764423448 577735788 /nfs/dbraw/zinc/73/57/88/577735788.db2.gz AGZKGCQZHNKMFP-GOSISDBHSA-N 1 0 345.487 2.404 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000749564966 577978211 /nfs/dbraw/zinc/97/82/11/577978211.db2.gz ZXWNTXUKYADBGH-ZWKOTPCHSA-N 1 0 345.487 2.117 10 10 EECERO CC[N@@H+]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000804797762 675636155 /nfs/dbraw/zinc/63/61/55/675636155.db2.gz POIGNVFFJXYGTH-STMXVASLSA-N 1 0 333.388 2.311 10 10 EECERO CN1C[C@@H](CC[NH2+]Cc2c(O)cccc2Br)CC1=O ZINC000723588787 676603115 /nfs/dbraw/zinc/60/31/15/676603115.db2.gz ATTTYRBRENLAAJ-JTQLQIEISA-N 1 0 327.222 2.113 10 10 EECERO COC(=O)c1c(C[NH2+]C[C@@H](CO)C(C)C)c2cc(F)ccc2n1C ZINC000894759602 683068637 /nfs/dbraw/zinc/06/86/37/683068637.db2.gz CEFFDROTMJGHGJ-LBPRGKRZSA-N 1 0 336.407 2.458 10 10 EECERO COC(=O)c1c(C[NH2+]C2CCN(OC)CC2)c2cc(F)ccc2n1C ZINC000895036338 683482949 /nfs/dbraw/zinc/48/29/49/683482949.db2.gz KVWSTGORCMEUEE-UHFFFAOYSA-N 1 0 349.406 2.219 10 10 EECERO OCC1CCN(c2ccc(C[NH2+][C@@H]3CN4C[C@@H]3CCC4)cc2)CC1 ZINC000924759207 693794137 /nfs/dbraw/zinc/79/41/37/693794137.db2.gz GNNJJCORPJQABR-AZUAARDMSA-N 1 0 329.488 2.079 10 10 EECERO CC[C@@H](CNC(=O)C1CCOCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267793390 1180542949 /nfs/dbraw/zinc/54/29/49/1180542949.db2.gz HPXAWKADNTWEKE-KRWDZBQOSA-N 1 0 334.460 2.415 10 10 EECERO CCOCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001271572205 1186320665 /nfs/dbraw/zinc/32/06/65/1186320665.db2.gz PLPNOSKIAWONEC-WBVHZDCISA-N 1 0 334.460 2.224 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001485125259 1191662286 /nfs/dbraw/zinc/66/22/86/1191662286.db2.gz AERBVSPRMAAECS-KGLIPLIRSA-N 1 0 330.432 2.332 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001485127770 1191663053 /nfs/dbraw/zinc/66/30/53/1191663053.db2.gz CBJZBJDXJGDWCW-CHWSQXEVSA-N 1 0 330.432 2.332 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@H](O)C[C@](C)(O)C3CC3)CC2)cc1 ZINC000872200483 1198082463 /nfs/dbraw/zinc/08/24/63/1198082463.db2.gz QWEIGYAJIVBDLG-QUCCMNQESA-N 1 0 348.487 2.166 10 10 EECERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000139645417 1204183376 /nfs/dbraw/zinc/18/33/76/1204183376.db2.gz FAIOXBZURFDGCF-KRWDZBQOSA-N 1 0 348.516 2.133 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccnnc2C)cc1C ZINC001491513603 1259163063 /nfs/dbraw/zinc/16/30/63/1259163063.db2.gz PPXGUOCMHHFPMK-ZDUSSCGKSA-N 1 0 328.416 2.010 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](OC)C3CC3)C2)cc1C ZINC001691437040 1276644008 /nfs/dbraw/zinc/64/40/08/1276644008.db2.gz QFXWYRQLUVXLSK-HHXXYDBFSA-N 1 0 346.471 2.413 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C(C)(C)n3cncn3)C2)cc1 ZINC000850486906 1277244652 /nfs/dbraw/zinc/24/46/52/1277244652.db2.gz DQRZBFUGOMGNKZ-LSDHHAIUSA-N 1 0 329.448 2.279 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)NCCCCCC[NH3+])C2)cc1 ZINC000851665439 1277708042 /nfs/dbraw/zinc/70/80/42/1277708042.db2.gz AQADDLARVHBAOT-OAHLLOKOSA-N 1 0 334.464 2.092 10 10 EECERO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851664655 1277709239 /nfs/dbraw/zinc/70/92/39/1277709239.db2.gz IEVWNCOTZZAZMU-CQSZACIVSA-N 1 0 334.464 2.091 10 10 EECERO [NH3+]C1(CNC(=O)NCc2cc(Br)ccc2O)CCCC1 ZINC000851671916 1277712356 /nfs/dbraw/zinc/71/23/56/1277712356.db2.gz RWKDXYQWGIGSTJ-UHFFFAOYSA-N 1 0 342.237 2.225 10 10 EECERO COc1ccc(N2CCN(CC[NH2+]Cc3ccnc(F)c3)CC2)cc1 ZINC000858112870 1294009681 /nfs/dbraw/zinc/00/96/81/1294009681.db2.gz AHYZABOIKYJGLA-UHFFFAOYSA-N 1 0 344.434 2.141 10 10 EECERO C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[NH2+]1 ZINC000861559623 1295456670 /nfs/dbraw/zinc/45/66/70/1295456670.db2.gz UCSMEMBHEQGMSO-HOCLYGCPSA-N 1 0 348.516 2.180 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861591062 1295467823 /nfs/dbraw/zinc/46/78/23/1295467823.db2.gz YXKCURGCTMQVHQ-QGZVFWFLSA-N 1 0 326.444 2.147 10 10 EECERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707149 1315601433 /nfs/dbraw/zinc/60/14/33/1315601433.db2.gz OIDKCENTCNJKFF-PBHICJAKSA-N 1 0 348.516 2.037 10 10 EECERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841975973 1315646180 /nfs/dbraw/zinc/64/61/80/1315646180.db2.gz JYQKDRJONHKUGV-KBXCAEBGSA-N 1 0 330.476 2.425 10 10 EECERO [NH3+][C@H]1CCC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000841981250 1315647003 /nfs/dbraw/zinc/64/70/03/1315647003.db2.gz XAOLZRNBLYFBSL-RYUDHWBXSA-N 1 0 342.237 2.224 10 10 EECERO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000842000772 1315649611 /nfs/dbraw/zinc/64/96/11/1315649611.db2.gz JTSOLVORRQWNBD-UWVGGRQHSA-N 1 0 344.253 2.422 10 10 EECERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000842644069 1315743624 /nfs/dbraw/zinc/74/36/24/1315743624.db2.gz QHOCCGIMCYREBZ-HNNXBMFYSA-N 1 0 346.349 2.210 10 10 EECERO CCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001317229420 1332145328 /nfs/dbraw/zinc/14/53/28/1332145328.db2.gz DRAQCIDLNZUEQJ-CQSZACIVSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(F)cn2)cc1C ZINC001317234945 1332146920 /nfs/dbraw/zinc/14/69/20/1332146920.db2.gz OJNBYSSGDVNUPC-ZDUSSCGKSA-N 1 0 331.391 2.446 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCOC2)cc1C ZINC001317576623 1332305647 /nfs/dbraw/zinc/30/56/47/1332305647.db2.gz OFVNSXQQCBNIRI-INIZCTEOSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)c2cnn(C)c2)cc1C ZINC001317670204 1332361865 /nfs/dbraw/zinc/36/18/65/1332361865.db2.gz URVDOBBWNARBAF-HNNXBMFYSA-N 1 0 344.459 2.089 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cccc(=O)[nH]1 ZINC001320703984 1332937657 /nfs/dbraw/zinc/93/76/57/1332937657.db2.gz XTUAPJNLQHTHBK-UHFFFAOYSA-N 1 0 343.427 2.356 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cncnc2)cc1C ZINC001329013223 1334568667 /nfs/dbraw/zinc/56/86/67/1334568667.db2.gz GYUOPAAPQAGFPB-ZIAGYGMSSA-N 1 0 328.416 2.090 10 10 EECERO C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001300206863 1338192058 /nfs/dbraw/zinc/19/20/58/1338192058.db2.gz SGEZFIRIVRQUCK-HXUWFJFHSA-N 1 0 340.423 2.421 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCF)C2)cc1 ZINC001656179318 1354211176 /nfs/dbraw/zinc/21/11/76/1354211176.db2.gz SZXAFFKBDKPUOP-VDISTLRHSA-N 1 0 335.383 2.307 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cn(C)cn2)C(C)C)cc1C ZINC001667446323 1355743071 /nfs/dbraw/zinc/74/30/71/1355743071.db2.gz ILEGGUVFIXLYDH-INIZCTEOSA-N 1 0 344.459 2.281 10 10 EECERO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674448 790366345 /nfs/dbraw/zinc/36/63/45/790366345.db2.gz XWQAUEOUSHWFNE-MOPGFXCFSA-N 1 0 343.471 2.311 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844467265 789137515 /nfs/dbraw/zinc/13/75/15/789137515.db2.gz BOUAAAVWOCRPQN-KRWDZBQOSA-N 1 0 337.414 2.442 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c1O ZINC000846158768 790066152 /nfs/dbraw/zinc/06/61/52/790066152.db2.gz KMWZQERRUGAPNK-GFCCVEGCSA-N 1 0 327.446 2.266 10 10 EECERO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(Br)cc1O ZINC000786952346 806944813 /nfs/dbraw/zinc/94/48/13/806944813.db2.gz VYWYBMYPCGJBRJ-SECBINFHSA-N 1 0 348.262 2.240 10 10 EECERO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)c2c1 ZINC000788382897 807507055 /nfs/dbraw/zinc/50/70/55/807507055.db2.gz HNZKGDGZVSCFIB-IBGZPJMESA-N 1 0 326.396 2.266 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2nccc(C)n2)cc1C ZINC001497180588 1102082111 /nfs/dbraw/zinc/08/21/11/1102082111.db2.gz UHEOPCMHMHLPHU-HNNXBMFYSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001465889786 1110425362 /nfs/dbraw/zinc/42/53/62/1110425362.db2.gz MHQHODIIYDCWLN-FUHWJXTLSA-N 1 0 345.487 2.464 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)CC2CCCC2)cc1C ZINC001507169806 1115144672 /nfs/dbraw/zinc/14/46/72/1115144672.db2.gz BJFGTRAWIPGCCE-QGZVFWFLSA-N 1 0 334.460 2.151 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C)[nH]c2=O)cc1C ZINC001569021420 1125047235 /nfs/dbraw/zinc/04/72/35/1125047235.db2.gz YFHWZLDHMRJGPO-CQSZACIVSA-N 1 0 343.427 2.321 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1F ZINC000105206035 529781127 /nfs/dbraw/zinc/78/11/27/529781127.db2.gz ODLBJWNQPCHJPA-HNNXBMFYSA-N 1 0 334.439 2.271 10 10 EECERO COc1cccc(CNC(=O)c2ccccc2OCC[NH+](C)C)c1O ZINC000105651427 463459300 /nfs/dbraw/zinc/45/93/00/463459300.db2.gz AZVLUWVBYZLWPC-UHFFFAOYSA-N 1 0 344.411 2.271 10 10 EECERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000185324564 463801270 /nfs/dbraw/zinc/80/12/70/463801270.db2.gz YHXCFIVDOSYQHL-SFHVURJKSA-N 1 0 335.492 2.050 10 10 EECERO COc1ccc(O)c(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000180074651 464236200 /nfs/dbraw/zinc/23/62/00/464236200.db2.gz WYMOODWFQCGIBB-QGZVFWFLSA-N 1 0 333.476 2.003 10 10 EECERO CCOC(=O)c1csc(CC[NH2+]Cc2cccc(OC)c2O)n1 ZINC000190339028 464620956 /nfs/dbraw/zinc/62/09/56/464620956.db2.gz AGXKJBBYFUMPRV-UHFFFAOYSA-N 1 0 336.413 2.366 10 10 EECERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000361390322 465955924 /nfs/dbraw/zinc/95/59/24/465955924.db2.gz MVEGNHBWYUXFIW-ICCXJUOJSA-N 1 0 339.233 2.254 10 10 EECERO CN1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@H]1c1ccc(F)cc1 ZINC000365790381 466939575 /nfs/dbraw/zinc/93/95/75/466939575.db2.gz SRIQLRWBIBFZOB-GDBMZVCRSA-N 1 0 330.359 2.412 10 10 EECERO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc2O1 ZINC000378538758 467334728 /nfs/dbraw/zinc/33/47/28/467334728.db2.gz AXJHGSOLRITHNT-KXPUMZMLSA-N 1 0 339.395 2.156 10 10 EECERO CN1CCCc2cc(CNC(=O)c3ccc(C[NH+](C)C)nc3)ccc21 ZINC000773879602 577371078 /nfs/dbraw/zinc/37/10/78/577371078.db2.gz LMMKPCDQHFBRKE-UHFFFAOYSA-N 1 0 338.455 2.456 10 10 EECERO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000766093529 577512729 /nfs/dbraw/zinc/51/27/29/577512729.db2.gz HKCLROJHJKTXKA-GDBMZVCRSA-N 1 0 331.460 2.298 10 10 EECERO CCNC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768296521 577553378 /nfs/dbraw/zinc/55/33/78/577553378.db2.gz PJZIQQFLNCKPST-UHFFFAOYSA-N 1 0 332.517 2.203 10 10 EECERO CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769326423 577575129 /nfs/dbraw/zinc/57/51/29/577575129.db2.gz LZCWACXEODZWOV-QGZVFWFLSA-N 1 0 333.451 2.331 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000747847125 577951394 /nfs/dbraw/zinc/95/13/94/577951394.db2.gz LJTMOGNIEGTPDR-FQEVSTJZSA-N 1 0 345.487 2.261 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](Cn3cccn3)C1)CCCC2 ZINC000160261212 675211294 /nfs/dbraw/zinc/21/12/94/675211294.db2.gz MABONFFBOYANMK-GOSISDBHSA-N 1 0 327.428 2.369 10 10 EECERO CC[N@@H+]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804797763 675636039 /nfs/dbraw/zinc/63/60/39/675636039.db2.gz POIGNVFFJXYGTH-WOLRVDTOSA-N 1 0 333.388 2.311 10 10 EECERO COc1cc(C)cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000895475536 684614520 /nfs/dbraw/zinc/61/45/20/684614520.db2.gz VWAHAPRWVSLMQZ-LQDVMPOASA-N 1 0 339.457 2.155 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2F)cc1OC ZINC000895747141 684707091 /nfs/dbraw/zinc/70/70/91/684707091.db2.gz BRQABRVFPQLAQP-AWEZNQCLSA-N 1 0 335.375 2.242 10 10 EECERO O=C1CC2(CCC2)[N@H+](Cc2ccc(Br)cc2O)CCN1 ZINC000895927203 684777686 /nfs/dbraw/zinc/77/76/86/684777686.db2.gz LXLOFAVUIHDUPM-UHFFFAOYSA-N 1 0 339.233 2.399 10 10 EECERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H](C)OC)C2)cc1C ZINC001691212351 1177717564 /nfs/dbraw/zinc/71/75/64/1177717564.db2.gz MACHOQSQTZCHHK-HYVNUMGLSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H]3CCOC3)CC2)cc1C ZINC001670760356 1179167979 /nfs/dbraw/zinc/16/79/79/1179167979.db2.gz UKYGYOKUBHJZLO-MRXNPFEDSA-N 1 0 332.444 2.169 10 10 EECERO C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483200103 1189089647 /nfs/dbraw/zinc/08/96/47/1189089647.db2.gz IBQVZEQVEABCPK-IUODEOHRSA-N 1 0 347.419 2.126 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cn(C)cn2)C2CC2)cc1C ZINC001483556570 1190547494 /nfs/dbraw/zinc/54/74/94/1190547494.db2.gz UBFOJTIFVGKHEE-INIZCTEOSA-N 1 0 342.443 2.035 10 10 EECERO COc1ccc(C[NH2+][C@@]2(CO)CCCN(C(=O)C3(C)CC3)C2)cc1C ZINC001484840480 1191544386 /nfs/dbraw/zinc/54/43/86/1191544386.db2.gz AKDHWYJXUYGCAI-FQEVSTJZSA-N 1 0 346.471 2.247 10 10 EECERO C[NH+](C)C1(C)CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000865321882 1198168393 /nfs/dbraw/zinc/16/83/93/1198168393.db2.gz OETIGWYOKCVCRJ-UHFFFAOYSA-N 1 0 345.443 2.419 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@]3(CCO)CCOC3)CC2)cc1 ZINC000125616812 1199406134 /nfs/dbraw/zinc/40/61/34/1199406134.db2.gz OYRMIBHQJFZZAD-IBGZPJMESA-N 1 0 334.460 2.043 10 10 EECERO COc1cccc(O)c1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000779191568 1209271908 /nfs/dbraw/zinc/27/19/08/1209271908.db2.gz CMLAXNIDHQYZKN-UHFFFAOYSA-N 1 0 328.416 2.324 10 10 EECERO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1C ZINC000850364368 1277199711 /nfs/dbraw/zinc/19/97/11/1277199711.db2.gz CLNIUGRDSNVDAJ-UHFFFAOYSA-N 1 0 325.352 2.076 10 10 EECERO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc2ccccc2c1O ZINC000850508474 1277254338 /nfs/dbraw/zinc/25/43/38/1277254338.db2.gz NQKWZYMIJDHFLP-KUHUBIRLSA-N 1 0 331.412 2.364 10 10 EECERO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000850510430 1277255208 /nfs/dbraw/zinc/25/52/08/1277255208.db2.gz WGKQXSVIPNWCMS-FXAWDEMLSA-N 1 0 348.487 2.496 10 10 EECERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853780629 1292450925 /nfs/dbraw/zinc/45/09/25/1292450925.db2.gz CCBYGXMXEWBJIT-RDJZCZTQSA-N 1 0 346.475 2.057 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000855231162 1293121802 /nfs/dbraw/zinc/12/18/02/1293121802.db2.gz KZHFDAVGZDGSDE-OAGGEKHMSA-N 1 0 331.460 2.263 10 10 EECERO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000858540656 1294148735 /nfs/dbraw/zinc/14/87/35/1294148735.db2.gz KWPGWAINHRLQTB-CYBMUJFWSA-N 1 0 348.443 2.478 10 10 EECERO CN1CCCc2cc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)ccc21 ZINC000861567767 1295459113 /nfs/dbraw/zinc/45/91/13/1295459113.db2.gz KPLXXVMAKZJVKA-QGZVFWFLSA-N 1 0 328.460 2.153 10 10 EECERO O=C(NCCCSc1nccs1)N[C@H]1CC[NH2+]C12CCC2 ZINC000861610127 1295476409 /nfs/dbraw/zinc/47/64/09/1295476409.db2.gz VXHLEMAHAKZGIA-NSHDSACASA-N 1 0 326.491 2.209 10 10 EECERO COc1ccc(N2CCN(CC[NH2+]Cc3oc(C)nc3C)CC2)cc1 ZINC000862274960 1295778690 /nfs/dbraw/zinc/77/86/90/1295778690.db2.gz ICSLBNIJTLGKQL-UHFFFAOYSA-N 1 0 344.459 2.212 10 10 EECERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1c(O)cccc1Br ZINC000862387364 1295820643 /nfs/dbraw/zinc/82/06/43/1295820643.db2.gz KPPMGDYYCKYLPG-GWCFXTLKSA-N 1 0 330.222 2.126 10 10 EECERO CCC1(N2CCOCC2)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000862536665 1295870257 /nfs/dbraw/zinc/87/02/57/1295870257.db2.gz RFJAHGLPLYUDGX-UHFFFAOYSA-N 1 0 334.460 2.478 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3coc(C)n3)CC2)cc1C ZINC001277044287 1300998054 /nfs/dbraw/zinc/99/80/54/1300998054.db2.gz YGWYLVTZDTZYIT-UHFFFAOYSA-N 1 0 329.400 2.352 10 10 EECERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000842640621 1315742207 /nfs/dbraw/zinc/74/22/07/1315742207.db2.gz ARYQBLYSTXJBRN-MRXNPFEDSA-N 1 0 342.361 2.381 10 10 EECERO CN(C)c1ccc(/C=C/CN2CC[NH2+]C[C@H]2c2nccn2C)cc1 ZINC000843121330 1315848002 /nfs/dbraw/zinc/84/80/02/1315848002.db2.gz DMFSHNGJVIOOQW-WRFKIARRSA-N 1 0 325.460 2.146 10 10 EECERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(O)c1O ZINC001150527491 1316288857 /nfs/dbraw/zinc/28/88/57/1316288857.db2.gz GNWBVCZFBXUKFU-UHFFFAOYSA-N 1 0 330.384 2.007 10 10 EECERO CCO[C@@]1(C)C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001251501772 1317464974 /nfs/dbraw/zinc/46/49/74/1317464974.db2.gz ZNCVGEOECUNDBY-SCTDSRPQSA-N 1 0 348.491 2.222 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)C2CC3(CC3)C2)cc1C ZINC001278804119 1318171662 /nfs/dbraw/zinc/17/16/62/1318171662.db2.gz MEUIVTBFOGYVHD-KRWDZBQOSA-N 1 0 346.471 2.103 10 10 EECERO C[C@H]([NH2+]CCF)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001279047149 1319081199 /nfs/dbraw/zinc/08/11/99/1319081199.db2.gz VEOZITJETWDOIQ-WCQYABFASA-N 1 0 335.383 2.259 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2snnc2C)cc1C ZINC001266124564 1323696040 /nfs/dbraw/zinc/69/60/40/1323696040.db2.gz JSENAJVGTUZPKO-GFCCVEGCSA-N 1 0 348.472 2.462 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cccnn2)cc1C ZINC001281758211 1325439874 /nfs/dbraw/zinc/43/98/74/1325439874.db2.gz ZMDINSHUAADRDS-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ccncn2)cc1C ZINC001283260678 1325976639 /nfs/dbraw/zinc/97/66/39/1325976639.db2.gz PMWJXLVKKPJZNZ-OAHLLOKOSA-N 1 0 342.443 2.482 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)c2cnon2)cc1C ZINC001283543212 1326123105 /nfs/dbraw/zinc/12/31/05/1326123105.db2.gz HTKYIAYKYIMSAW-INIZCTEOSA-N 1 0 344.415 2.027 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc(C)no3)CC2)cc1C ZINC001323385117 1333453266 /nfs/dbraw/zinc/45/32/66/1333453266.db2.gz NUUJPKXHRYYZOQ-UHFFFAOYSA-N 1 0 329.400 2.352 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@@H]3C)CCOCC2)cc1C ZINC001324983815 1333802530 /nfs/dbraw/zinc/80/25/30/1333802530.db2.gz RCGIRAIYTCCJKT-YOEHRIQHSA-N 1 0 346.471 2.415 10 10 EECERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327953105 1334369366 /nfs/dbraw/zinc/36/93/66/1334369366.db2.gz UFXNDVAMIOQCIM-WMZOPIPTSA-N 1 0 335.467 2.170 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cncnc2)cc1C ZINC001329013221 1334568418 /nfs/dbraw/zinc/56/84/18/1334568418.db2.gz GYUOPAAPQAGFPB-KGLIPLIRSA-N 1 0 328.416 2.090 10 10 EECERO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccn(C(C)(C)C)n2)cc1 ZINC000848393516 1338696970 /nfs/dbraw/zinc/69/69/70/1338696970.db2.gz FOTFKWVQLJPNID-HNNXBMFYSA-N 1 0 329.448 2.134 10 10 EECERO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)c1 ZINC001610392162 1352215123 /nfs/dbraw/zinc/21/51/23/1352215123.db2.gz GJSMIGKOJFHOEW-KBPBESRZSA-N 1 0 341.411 2.500 10 10 EECERO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN(C)CC(F)(F)F ZINC001653476288 1354124747 /nfs/dbraw/zinc/12/47/47/1354124747.db2.gz UILPHKKMUZUQRY-AWEZNQCLSA-N 1 0 334.382 2.459 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)COc2cccnc2)cc1C ZINC001699382822 1405345465 /nfs/dbraw/zinc/34/54/65/1405345465.db2.gz ICJDDXCZQVKGLN-OAHLLOKOSA-N 1 0 343.427 2.072 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000182321280 778725327 /nfs/dbraw/zinc/72/53/27/778725327.db2.gz PHMCVJLBZIALPL-QANKJYHBSA-N 1 0 348.443 2.221 10 10 EECERO CN(C)C(=O)C1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000840958308 783313816 /nfs/dbraw/zinc/31/38/16/783313816.db2.gz OYLKVNJDZFSGJO-UHFFFAOYSA-N 1 0 329.366 2.482 10 10 EECERO COc1ccc(N2CCN(CC[NH2+]CC3(O)CCCCC3)CC2)cc1 ZINC000818982640 785350592 /nfs/dbraw/zinc/35/05/92/785350592.db2.gz PNKFYHWBSVBURV-UHFFFAOYSA-N 1 0 347.503 2.102 10 10 EECERO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000824559083 788214594 /nfs/dbraw/zinc/21/45/94/788214594.db2.gz FCQSYFRUVHFAAG-CQSZACIVSA-N 1 0 348.237 2.040 10 10 EECERO NC(=O)C1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691486605 806081817 /nfs/dbraw/zinc/08/18/17/806081817.db2.gz AGJMFUSAPRIIKX-UHFFFAOYSA-N 1 0 327.222 2.288 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cnn3c2CCC3)cc1C ZINC001498050334 1106840045 /nfs/dbraw/zinc/84/00/45/1106840045.db2.gz AALQPKAGUGCVBR-AWEZNQCLSA-N 1 0 342.443 2.054 10 10 EECERO COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001460635970 1110320170 /nfs/dbraw/zinc/32/01/70/1110320170.db2.gz FZHPXKQNMNQHPB-LBPRGKRZSA-N 1 0 343.383 2.400 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464109764 1110387779 /nfs/dbraw/zinc/38/77/79/1110387779.db2.gz ZTMUFTNAZCZWKD-QGZVFWFLSA-N 1 0 340.423 2.421 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2=COCCO2)cc1C ZINC001506910225 1114966271 /nfs/dbraw/zinc/96/62/71/1114966271.db2.gz LKOSFRVIJSZIDC-OAHLLOKOSA-N 1 0 348.443 2.266 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C[C@H]2CCOC2)C2CC2)cc1C ZINC001569318401 1125226898 /nfs/dbraw/zinc/22/68/98/1125226898.db2.gz RACYLDFIMMAHNK-SJLPKXTDSA-N 1 0 346.471 2.415 10 10 EECERO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000527950768 317291587 /nfs/dbraw/zinc/29/15/87/317291587.db2.gz ATRKTVWIBZXNPZ-HJIKLVIJSA-N 1 0 348.212 2.484 10 10 EECERO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339279932 465185825 /nfs/dbraw/zinc/18/58/25/465185825.db2.gz CXIISEGUGBGQPH-UHFFFAOYSA-N 1 0 340.427 2.248 10 10 EECERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155709142 462932313 /nfs/dbraw/zinc/93/23/13/462932313.db2.gz WQCPLWYXEPNHCA-VQIMIIECSA-N 1 0 340.471 2.441 10 10 EECERO CCC[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161694506 463450167 /nfs/dbraw/zinc/45/01/67/463450167.db2.gz RZHAVWKSLUZIPI-GOSISDBHSA-N 1 0 333.476 2.464 10 10 EECERO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)ccc21 ZINC000570054443 468584972 /nfs/dbraw/zinc/58/49/72/468584972.db2.gz FYEGTULTXOFUGT-YOEHRIQHSA-N 1 0 329.444 2.466 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCCC[C@H]1C)cc2=O ZINC000734001262 577269736 /nfs/dbraw/zinc/26/97/36/577269736.db2.gz PDDGAWIBJOBJNK-GFCCVEGCSA-N 1 0 332.404 2.376 10 10 EECERO c1snnc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000776252753 577455706 /nfs/dbraw/zinc/45/57/06/577455706.db2.gz XIPJHMHMTYVKPP-UHFFFAOYSA-N 1 0 343.500 2.360 10 10 EECERO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(F)ccc1O ZINC000757655806 577861870 /nfs/dbraw/zinc/86/18/70/577861870.db2.gz LBOCACOYLKVTTQ-SWLSCSKDSA-N 1 0 346.406 2.107 10 10 EECERO C[C@@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000255047657 675450507 /nfs/dbraw/zinc/45/05/07/675450507.db2.gz NDSZLLJDJKBHTB-VOFFAFHOSA-N 1 0 343.471 2.122 10 10 EECERO COC(=O)c1c(C[NH2+]CC[C@@H](O)C(F)F)c2cc(F)ccc2n1C ZINC000895440173 684601247 /nfs/dbraw/zinc/60/12/47/684601247.db2.gz QQJYGDWXLYGZDR-CYBMUJFWSA-N 1 0 344.333 2.210 10 10 EECERO COc1ccc(O)c(C[NH2+][C@]2(CO)CCc3c2cccc3OC)c1 ZINC000895634641 684666726 /nfs/dbraw/zinc/66/67/26/684666726.db2.gz NAQCNRMHAZWPSR-IBGZPJMESA-N 1 0 329.396 2.333 10 10 EECERO CC[C@@H](CNC(=O)c1cccc(=O)[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267801353 1180552310 /nfs/dbraw/zinc/55/23/10/1180552310.db2.gz KVDHHSCRTLJFBQ-HNNXBMFYSA-N 1 0 343.427 2.402 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)Cc2ccon2)C(C)C)cc1C ZINC001271821297 1186522062 /nfs/dbraw/zinc/52/20/62/1186522062.db2.gz MTQJYHLNMFFHLJ-QGZVFWFLSA-N 1 0 345.443 2.465 10 10 EECERO COc1ccc(N2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC001626479681 1193473364 /nfs/dbraw/zinc/47/33/64/1193473364.db2.gz MBHXGBNPPDMFMI-HNNXBMFYSA-N 1 0 331.460 2.122 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001482740929 1187700094 /nfs/dbraw/zinc/70/00/94/1187700094.db2.gz FIAUDLHAUQJSEW-WMLDXEAASA-N 1 0 334.460 2.007 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@]2(F)CCOC2)cc1C ZINC001485914581 1193638547 /nfs/dbraw/zinc/63/85/47/1193638547.db2.gz MFMGXQSNTCXGDY-KBXCAEBGSA-N 1 0 338.423 2.069 10 10 EECERO COc1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)C3(C)CC3)C2)cc1C ZINC001484840481 1191544402 /nfs/dbraw/zinc/54/44/02/1191544402.db2.gz AKDHWYJXUYGCAI-HXUWFJFHSA-N 1 0 346.471 2.247 10 10 EECERO CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691683105 1197490819 /nfs/dbraw/zinc/49/08/19/1197490819.db2.gz PEOWLYSMLXTODR-HNNXBMFYSA-N 1 0 347.419 2.032 10 10 EECERO Cc1n[nH]c(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1C ZINC000886324961 1202492698 /nfs/dbraw/zinc/49/26/98/1202492698.db2.gz NYHCKZSDGOYFDY-UHFFFAOYSA-N 1 0 341.459 2.018 10 10 EECERO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccnnc1 ZINC000924727832 1206025129 /nfs/dbraw/zinc/02/51/29/1206025129.db2.gz GTWOPRDIANTPAN-YOEHRIQHSA-N 1 0 339.443 2.029 10 10 EECERO Oc1ccccc1C[N@H+](C[C@H](O)C1(O)CCCC1)C[C@H]1CCCO1 ZINC000929970121 1206523444 /nfs/dbraw/zinc/52/34/44/1206523444.db2.gz IPCNCUMUSVRDKF-AEFFLSMTSA-N 1 0 335.444 2.039 10 10 EECERO CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)ccc1O ZINC000079926532 1210748597 /nfs/dbraw/zinc/74/85/97/1210748597.db2.gz BJWVSWSANVQLFP-CMPLNLGQSA-N 1 0 327.222 2.474 10 10 EECERO CCOCc1cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)ccc1OC ZINC000796490832 1219409388 /nfs/dbraw/zinc/40/93/88/1219409388.db2.gz OITWNFZYZQOTKG-CYBMUJFWSA-N 1 0 341.473 2.287 10 10 EECERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)CS1(=O)=O ZINC000827164302 1250319372 /nfs/dbraw/zinc/31/93/72/1250319372.db2.gz FRCDXFXFRNTERY-CABZTGNLSA-N 1 0 348.262 2.210 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850076657 1277021413 /nfs/dbraw/zinc/02/14/13/1277021413.db2.gz AEQUMIXIPBKHQN-LBTBCDHLSA-N 1 0 332.444 2.371 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C(N)=O)cs3)C2)cc1 ZINC000850347125 1277189900 /nfs/dbraw/zinc/18/99/00/1277189900.db2.gz NUJSLAUHNYONCY-ZDUSSCGKSA-N 1 0 331.441 2.224 10 10 EECERO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000850509569 1277254276 /nfs/dbraw/zinc/25/42/76/1277254276.db2.gz RUEVUTPYKUKKQE-KUHUBIRLSA-N 1 0 335.444 2.090 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000851639370 1277697243 /nfs/dbraw/zinc/69/72/43/1277697243.db2.gz DQHWVEAPDOVOKS-LPHOPBHVSA-N 1 0 339.439 2.480 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1F ZINC000858186389 1294037017 /nfs/dbraw/zinc/03/70/17/1294037017.db2.gz AHUAUEJGWSGFHT-QFIPXVFZSA-N 1 0 344.349 2.431 10 10 EECERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1c(O)cccc1Br ZINC000862387367 1295821006 /nfs/dbraw/zinc/82/10/06/1295821006.db2.gz KPPMGDYYCKYLPG-MFKMUULPSA-N 1 0 330.222 2.126 10 10 EECERO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000862464699 1295852143 /nfs/dbraw/zinc/85/21/43/1295852143.db2.gz GJLXVLSOJXKBMN-OAHLLOKOSA-N 1 0 334.391 2.014 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@]23C[C@@H]2CCCC3)cc1C ZINC001278146995 1306098143 /nfs/dbraw/zinc/09/81/43/1306098143.db2.gz JIRGFEWUCLCHLE-ZWOKBUDYSA-N 1 0 346.471 2.151 10 10 EECERO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(Cl)c1 ZINC000840942760 1315442022 /nfs/dbraw/zinc/44/20/22/1315442022.db2.gz CNPPKZMJUINHDP-RISCZKNCSA-N 1 0 346.880 2.162 10 10 EECERO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]([NH3+])CC(C)C ZINC000841006080 1315452815 /nfs/dbraw/zinc/45/28/15/1315452815.db2.gz IGGBAYVWYRVUFV-CQSZACIVSA-N 1 0 328.840 2.394 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841709885 1315601676 /nfs/dbraw/zinc/60/16/76/1315601676.db2.gz OCNUPQAHILYPHY-GOSISDBHSA-N 1 0 328.460 2.323 10 10 EECERO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000842010562 1315650757 /nfs/dbraw/zinc/65/07/57/1315650757.db2.gz MRZVRKNNRVJVJL-JOYOIKCWSA-N 1 0 342.237 2.081 10 10 EECERO CCc1nccn1[C@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296556 1315883789 /nfs/dbraw/zinc/88/37/89/1315883789.db2.gz AXLOVFJBBVXOKN-PBHICJAKSA-N 1 0 343.475 2.279 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ccccc2)cc1C ZINC001278723891 1317868921 /nfs/dbraw/zinc/86/89/21/1317868921.db2.gz YFWHDDBJTZIPHZ-GOSISDBHSA-N 1 0 342.439 2.226 10 10 EECERO Cc1ccc(C)n1-c1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1 ZINC001157007205 1318345124 /nfs/dbraw/zinc/34/51/24/1318345124.db2.gz UJZBFGSNEPICKA-QGZVFWFLSA-N 1 0 339.439 2.297 10 10 EECERO C[N@@H+]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC001163021746 1321017047 /nfs/dbraw/zinc/01/70/47/1321017047.db2.gz YLTYMMWXXAHKHC-SJORKVTESA-N 1 0 340.423 2.102 10 10 EECERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001294756368 1329137961 /nfs/dbraw/zinc/13/79/61/1329137961.db2.gz VPJIWYVDPWYMIJ-QGZVFWFLSA-N 1 0 345.487 2.466 10 10 EECERO CCc1n[nH]cc1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321134372 1333027304 /nfs/dbraw/zinc/02/73/04/1333027304.db2.gz CMSGYQSQOGTTPO-WAYWQWQTSA-N 1 0 342.443 2.365 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cn[nH]c3)CCC2)cc1C ZINC001326784903 1334159341 /nfs/dbraw/zinc/15/93/41/1334159341.db2.gz DAPVYLAGIMEZST-UHFFFAOYSA-N 1 0 328.416 2.169 10 10 EECERO C[C@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001597915653 1349933369 /nfs/dbraw/zinc/93/33/69/1349933369.db2.gz RXKDIRLBGQWVSF-RDJZCZTQSA-N 1 0 349.450 2.134 10 10 EECERO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC001654996695 1354163078 /nfs/dbraw/zinc/16/30/78/1354163078.db2.gz ILKHKRJZFYIMHW-AWEZNQCLSA-N 1 0 349.450 2.057 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cnc(C)n2C)cc1C ZINC001674714763 1356881739 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C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1c1cc[nH+]cc1 ZINC000915277967 795807663 /nfs/dbraw/zinc/80/76/63/795807663.db2.gz MFZSHHWGDDEPRZ-KQIUPUNMSA-N 1 0 339.395 2.243 10 10 EECERO CN(C)c1ccc(/C=C/C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000922849498 802075432 /nfs/dbraw/zinc/07/54/32/802075432.db2.gz KPUYOKSHCOEOIZ-IDICXISVSA-N 1 0 334.485 2.464 10 10 EECERO C[NH+](C)Cc1cc(CNC(=O)c2c(F)ccc(O)c2O)ccc1F ZINC000789979530 808309694 /nfs/dbraw/zinc/30/96/94/808309694.db2.gz RSALBMVOMQTYIF-UHFFFAOYSA-N 1 0 336.338 2.368 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cscn2)cc1C ZINC001497935522 1103368852 /nfs/dbraw/zinc/36/88/52/1103368852.db2.gz XZQUZJUGACNCCD-CYBMUJFWSA-N 1 0 333.457 2.297 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2nc(C)oc2C)cc1C ZINC001493741889 1108607851 /nfs/dbraw/zinc/60/78/51/1108607851.db2.gz JDBYNAMTZCBKCE-UHFFFAOYSA-N 1 0 331.416 2.470 10 10 EECERO CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+](C)C)cc1 ZINC001456929105 1109370479 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Oc1cccc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000153379810 462644277 /nfs/dbraw/zinc/64/42/77/462644277.db2.gz VYTYUCFTYKOXLJ-UHFFFAOYSA-N 1 0 328.368 2.149 10 10 EECERO CCn1nccc1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000284073713 464082259 /nfs/dbraw/zinc/08/22/59/464082259.db2.gz RQAYWDLHQJXSQZ-UHFFFAOYSA-N 1 0 328.460 2.414 10 10 EECERO COc1ccc(O)c(CNC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000373394269 466790162 /nfs/dbraw/zinc/79/01/62/466790162.db2.gz NMNZOWIRCQTFIX-UHFFFAOYSA-N 1 0 333.432 2.217 10 10 EECERO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000772465571 577274064 /nfs/dbraw/zinc/27/40/64/577274064.db2.gz KFZPTSNHHGUPPK-ZDUSSCGKSA-N 1 0 332.427 2.233 10 10 EECERO Cc1nccc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)n1 ZINC000758979366 577634740 /nfs/dbraw/zinc/63/47/40/577634740.db2.gz AOOIQTJOWPNZGO-UHFFFAOYSA-N 1 0 335.411 2.361 10 10 EECERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1-c1ccc(Cl)cc1 ZINC000262323794 685352175 /nfs/dbraw/zinc/35/21/75/685352175.db2.gz ROGHPJQBTZZKSB-SUMWQHHRSA-N 1 0 347.846 2.058 10 10 EECERO COC(=O)c1c(C[NH2+][C@@H](CO)CC(F)F)c2cc(F)ccc2n1C ZINC000894566995 682975646 /nfs/dbraw/zinc/97/56/46/682975646.db2.gz OBRYTURFZPQDDT-SNVBAGLBSA-N 1 0 344.333 2.210 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000328097414 683147223 /nfs/dbraw/zinc/14/72/23/683147223.db2.gz RGGUNSVXEOXCPU-ABSDTBQOSA-N 1 0 345.487 2.244 10 10 EECERO COC(=O)c1c(C[NH2+]CCOCCF)c2cc(F)ccc2n1C ZINC000895358867 684538551 /nfs/dbraw/zinc/53/85/51/684538551.db2.gz FGAMHPYDIRDQES-UHFFFAOYSA-N 1 0 326.343 2.180 10 10 EECERO CN(C)c1ncc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1C ZINC000896333381 684942168 /nfs/dbraw/zinc/94/21/68/684942168.db2.gz GYMZCDPGPOXVOP-UHFFFAOYSA-N 1 0 346.412 2.042 10 10 EECERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@@H]21 ZINC000899177361 693647884 /nfs/dbraw/zinc/64/78/84/693647884.db2.gz BBOGNGGUYXKJED-PWSUYJOCSA-N 1 0 332.425 2.479 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cnn(CCF)c2)cc1C ZINC001268695265 1183617430 /nfs/dbraw/zinc/61/74/30/1183617430.db2.gz XULJLJHJBPBCMJ-AWEZNQCLSA-N 1 0 348.422 2.078 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2cnoc2)cc1C ZINC001270487586 1185126127 /nfs/dbraw/zinc/12/61/27/1185126127.db2.gz YWCDWONFCQJIFP-CYBMUJFWSA-N 1 0 331.416 2.076 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCn2cccn2)cc1C ZINC001270897012 1185684451 /nfs/dbraw/zinc/68/44/51/1185684451.db2.gz YCPGYEPNOANQHX-MRXNPFEDSA-N 1 0 344.459 2.227 10 10 EECERO [NH3+]C1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000841945856 1188206183 /nfs/dbraw/zinc/20/61/83/1188206183.db2.gz ZWGPINBKDYIMQJ-UHFFFAOYSA-N 1 0 342.237 2.224 10 10 EECERO CC[C@@H]1C[N@H+](C)CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000814938235 1199802558 /nfs/dbraw/zinc/80/25/58/1199802558.db2.gz HNLFDBXFATZOML-IZPAUZPXSA-N 1 0 333.388 2.311 10 10 EECERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(Br)cc1O ZINC000826131679 1201307086 /nfs/dbraw/zinc/30/70/86/1201307086.db2.gz XGEXTXJKZPYSJP-VXGBXAGGSA-N 1 0 343.265 2.042 10 10 EECERO COc1ccc(N2CCC([NH2+]Cc3cc(C(N)=O)co3)CC2)cc1 ZINC000779069391 1208491385 /nfs/dbraw/zinc/49/13/85/1208491385.db2.gz RLACPALBPORXOL-UHFFFAOYSA-N 1 0 329.400 2.146 10 10 EECERO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903217893 1240032166 /nfs/dbraw/zinc/03/21/66/1240032166.db2.gz FOKPHKHLMRWYMV-CABCVRRESA-N 1 0 349.450 2.181 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)cc2)CC1 ZINC000827680404 1248637695 /nfs/dbraw/zinc/63/76/95/1248637695.db2.gz SAXKRMAXZBJZOF-WBVHZDCISA-N 1 0 345.487 2.388 10 10 EECERO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850426799 1277221085 /nfs/dbraw/zinc/22/10/85/1277221085.db2.gz FGYLXLHJPHHVOL-LJQANCHMSA-N 1 0 348.487 2.445 10 10 EECERO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000850484959 1277240483 /nfs/dbraw/zinc/24/04/83/1277240483.db2.gz VJCMAYWUDLQEMQ-VDZJLULYSA-N 1 0 334.460 2.225 10 10 EECERO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000850485526 1277242932 /nfs/dbraw/zinc/24/29/32/1277242932.db2.gz KRTFVVUWGGKGQU-GOEBONIOSA-N 1 0 340.439 2.364 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c1O ZINC000850485426 1277242979 /nfs/dbraw/zinc/24/29/79/1277242979.db2.gz HWXSQRSLOORXQY-GFCCVEGCSA-N 1 0 327.446 2.266 10 10 EECERO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(N(C)C)cc1 ZINC000858466397 1294124746 /nfs/dbraw/zinc/12/47/46/1294124746.db2.gz ZYNDVMQLUUZYGG-OXQOHEQNSA-N 1 0 347.503 2.019 10 10 EECERO C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C[NH2+]1 ZINC000861685452 1295504894 /nfs/dbraw/zinc/50/48/94/1295504894.db2.gz ODYUOSULHQQDNR-HYVNUMGLSA-N 1 0 347.459 2.223 10 10 EECERO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000926833464 1296937896 /nfs/dbraw/zinc/93/78/96/1296937896.db2.gz OUWKYYWLNJQTNA-MRXNPFEDSA-N 1 0 337.464 2.281 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)n2cccn2)cc1C ZINC001277760525 1304358556 /nfs/dbraw/zinc/35/85/56/1304358556.db2.gz VOPVZUIWYLKEQR-JKSUJKDBSA-N 1 0 344.459 2.398 10 10 EECERO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1O ZINC000797097018 1304644601 /nfs/dbraw/zinc/64/46/01/1304644601.db2.gz SSNFKZRKNLLVKU-HIFRSBDPSA-N 1 0 326.462 2.247 10 10 EECERO CN1CCN(c2ccc(C[NH2+]CCC3(CO)CCC3)cc2F)CC1 ZINC001118246220 1306325104 /nfs/dbraw/zinc/32/51/04/1306325104.db2.gz OBXUBYZUZKKAQG-UHFFFAOYSA-N 1 0 335.467 2.220 10 10 EECERO Cc1cc(O)c(C[NH2+]CC2(OCCO)CCOCC2)c(Cl)c1 ZINC000840943139 1315442233 /nfs/dbraw/zinc/44/22/33/1315442233.db2.gz VNZBXTKPAHSUHZ-UHFFFAOYSA-N 1 0 329.824 2.002 10 10 EECERO CCOc1cccc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)c1O ZINC000840977402 1315450576 /nfs/dbraw/zinc/45/05/76/1315450576.db2.gz KMMYPEQSZDHXPX-ZDUSSCGKSA-N 1 0 325.430 2.129 10 10 EECERO Cc1cc(C)n2c(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)cnc2n1 ZINC000841045679 1315461874 /nfs/dbraw/zinc/46/18/74/1315461874.db2.gz OCENDMVFPBREEA-SFHVURJKSA-N 1 0 338.459 2.202 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC3(O)CCC3)C2)cc1C ZINC001317077035 1332071006 /nfs/dbraw/zinc/07/10/06/1332071006.db2.gz ZOAFXSNKYVZPGD-WKILWMFISA-N 1 0 332.444 2.046 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccnc(C)n1 ZINC001320920964 1332979326 /nfs/dbraw/zinc/97/93/26/1332979326.db2.gz OOHNLJPRVLOXKI-UHFFFAOYSA-N 1 0 342.443 2.354 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)CC3(O)CCC3)CC2)cc1C ZINC001323437227 1333464200 /nfs/dbraw/zinc/46/42/00/1333464200.db2.gz FIOMWTDUVSFWQI-UHFFFAOYSA-N 1 0 332.444 2.047 10 10 EECERO CC/C(C)=C\C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001677074850 1357275536 /nfs/dbraw/zinc/27/55/36/1357275536.db2.gz RMSCHKFIMLDPIN-DZXKJOIRSA-N 1 0 334.460 2.269 10 10 EECERO C[C@@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001597915652 1349933277 /nfs/dbraw/zinc/93/32/77/1349933277.db2.gz RXKDIRLBGQWVSF-NVXWUHKLSA-N 1 0 349.450 2.134 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CCOC4=O)C3)cc2)CC1 ZINC001655137733 1354165475 /nfs/dbraw/zinc/16/54/75/1354165475.db2.gz NXTZCOUKGOWAQX-HXUWFJFHSA-N 1 0 344.455 2.441 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2csnn2)cc1C ZINC001674711008 1356881729 /nfs/dbraw/zinc/88/17/29/1356881729.db2.gz VJYAJAWJDUKHIQ-RYUDHWBXSA-N 1 0 334.445 2.152 10 10 EECERO CN(C)c1ncc(C[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000809713453 783328704 /nfs/dbraw/zinc/32/87/04/783328704.db2.gz QQLHJCWYSQHACF-UHFFFAOYSA-N 1 0 337.221 2.301 10 10 EECERO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000817978398 785126679 /nfs/dbraw/zinc/12/66/79/785126679.db2.gz AGLCWQRPIDKAST-MLGOLLRUSA-N 1 0 343.393 2.310 10 10 EECERO CN1CC[NH+](C[C@@H](O)CNc2ccc(Nc3ccccc3)cc2)CC1 ZINC000819395607 785527897 /nfs/dbraw/zinc/52/78/97/785527897.db2.gz NKFNDJJOCXFEJA-FQEVSTJZSA-N 1 0 340.471 2.450 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000922912719 788317092 /nfs/dbraw/zinc/31/70/92/788317092.db2.gz LFTBFUDARSUNON-RLFYNMQTSA-N 1 0 332.492 2.384 10 10 EECERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000825308593 788558968 /nfs/dbraw/zinc/55/89/68/788558968.db2.gz CFLGDKLEWUFPKC-ICCXJUOJSA-N 1 0 339.233 2.254 10 10 EECERO CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC[NH+](CC)CC ZINC000786959253 806947298 /nfs/dbraw/zinc/94/72/98/806947298.db2.gz PQSZPMOQZWDFCT-UHFFFAOYSA-N 1 0 341.521 2.246 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000792926894 810073796 /nfs/dbraw/zinc/07/37/96/810073796.db2.gz OQBDXQKNUHECJM-LJQANCHMSA-N 1 0 347.503 2.338 10 10 EECERO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001449327727 1094279617 /nfs/dbraw/zinc/27/96/17/1094279617.db2.gz CITRVSLJLZTIPI-INIZCTEOSA-N 1 0 344.411 2.068 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)nnc2C)cc1C ZINC001480466950 1100272547 /nfs/dbraw/zinc/27/25/47/1100272547.db2.gz BHOYCSIFRUQUOI-AWEZNQCLSA-N 1 0 342.443 2.319 10 10 EECERO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC001464638159 1110399226 /nfs/dbraw/zinc/39/92/26/1110399226.db2.gz GTHPYAPTJIIBPR-AWEZNQCLSA-N 1 0 340.423 2.203 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cnnc(C)c2)cc1C ZINC001507072014 1115093193 /nfs/dbraw/zinc/09/31/93/1115093193.db2.gz SUCJXCOHUJXLER-OAHLLOKOSA-N 1 0 342.443 2.352 10 10 EECERO CC[C@@H](CNC(=O)c1ccnn1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567952705 1124201975 /nfs/dbraw/zinc/20/19/75/1124201975.db2.gz ITQMFGFLEISYAX-HNNXBMFYSA-N 1 0 330.432 2.035 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cn(C)nc2C)cc1C ZINC001568829667 1124847717 /nfs/dbraw/zinc/84/77/17/1124847717.db2.gz YSJQPZYXTLMKPO-WAYWQWQTSA-N 1 0 342.443 2.121 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000076020642 462787280 /nfs/dbraw/zinc/78/72/80/462787280.db2.gz HSHRVYKLPQFVTI-AEFFLSMTSA-N 1 0 346.383 2.096 10 10 EECERO CCOCc1cc(C[NH2+][C@H]2CCc3nc(CC)nn3C2)ccc1OC ZINC000069745064 463318519 /nfs/dbraw/zinc/31/85/19/463318519.db2.gz JBEWGYLMKFVZIL-INIZCTEOSA-N 1 0 344.459 2.490 10 10 EECERO COc1cccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000277755049 463930267 /nfs/dbraw/zinc/93/02/67/463930267.db2.gz RINVJJFGPLFVHV-OAHLLOKOSA-N 1 0 330.432 2.201 10 10 EECERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)n(C)n1 ZINC000183662227 464893905 /nfs/dbraw/zinc/89/39/05/464893905.db2.gz PPBCLOOZXVTMNG-DZGCQCFKSA-N 1 0 328.416 2.280 10 10 EECERO COc1ccc(N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)cc1F ZINC000084963940 534012817 /nfs/dbraw/zinc/01/28/17/534012817.db2.gz HATPQTMQHRSXRP-HNNXBMFYSA-N 1 0 340.439 2.132 10 10 EECERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000774688908 577411395 /nfs/dbraw/zinc/41/13/95/577411395.db2.gz LBWMFTXKBKRXGH-LSDHHAIUSA-N 1 0 337.416 2.252 10 10 EECERO CCOC(=O)[C@@H](CC1CC1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000753572162 577790157 /nfs/dbraw/zinc/79/01/57/577790157.db2.gz RIPCQZCBKRBKDO-LJQANCHMSA-N 1 0 345.487 2.260 10 10 EECERO CC[N@@H+]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754079334 577799854 /nfs/dbraw/zinc/79/98/54/577799854.db2.gz GBASOEQLWCWBNM-CFNZNRNTSA-N 1 0 333.388 2.311 10 10 EECERO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000756098103 577838388 /nfs/dbraw/zinc/83/83/88/577838388.db2.gz FHRKEVKKWUXWPM-LUXYFRNMSA-N 1 0 335.467 2.479 10 10 EECERO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000327728182 682242494 /nfs/dbraw/zinc/24/24/94/682242494.db2.gz GJALODYHUQAZGJ-GOSISDBHSA-N 1 0 345.487 2.260 10 10 EECERO CCN(CC)c1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1F ZINC000895772099 684718106 /nfs/dbraw/zinc/71/81/06/684718106.db2.gz BXGKWZHQEKXWEN-QGZVFWFLSA-N 1 0 349.450 2.057 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2n[nH]c3c2CCC3)cc1C ZINC001266757150 1177361236 /nfs/dbraw/zinc/36/12/36/1177361236.db2.gz PSEKXTXNNXTYCF-UHFFFAOYSA-N 1 0 342.443 2.077 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2CCOCC2)cc1C ZINC001268504950 1183082188 /nfs/dbraw/zinc/08/21/88/1183082188.db2.gz GTGIHGNDQRNFMW-ARJAWSKDSA-N 1 0 332.444 2.192 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2csc(=O)[nH]2)cc1C ZINC001482319537 1185335309 /nfs/dbraw/zinc/33/53/09/1185335309.db2.gz AAPNBDDWULODEY-LBPRGKRZSA-N 1 0 349.456 2.416 10 10 EECERO CCCC[C@H](C[NH3+])NC(=O)NCc1cc(Br)ccc1O ZINC000841959329 1188209141 /nfs/dbraw/zinc/20/91/41/1188209141.db2.gz PZCHVGJHYULSLZ-GFCCVEGCSA-N 1 0 344.253 2.471 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@]2(F)CCOC2)cc1C ZINC001485914583 1193638431 /nfs/dbraw/zinc/63/84/31/1193638431.db2.gz MFMGXQSNTCXGDY-KSSFIOAISA-N 1 0 338.423 2.069 10 10 EECERO Cc1oncc1C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483298503 1190321308 /nfs/dbraw/zinc/32/13/08/1190321308.db2.gz HUXZGJFACIEETD-JTQLQIEISA-N 1 0 344.375 2.054 10 10 EECERO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC3(C)C)CC2)cc1 ZINC000077382754 1209781049 /nfs/dbraw/zinc/78/10/49/1209781049.db2.gz PFQUMAPUZQTZRX-UHFFFAOYSA-N 1 0 331.460 2.218 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c1 ZINC000827839762 1248818431 /nfs/dbraw/zinc/81/84/31/1248818431.db2.gz WXAGCFVDSDKZQB-UHFFFAOYSA-N 1 0 326.396 2.448 10 10 EECERO CCCn1cc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000903089914 1239708638 /nfs/dbraw/zinc/70/86/38/1239708638.db2.gz WVUYIKJNQLNZDZ-MRXNPFEDSA-N 1 0 342.491 2.291 10 10 EECERO COc1ccc(N2CCC(NC(=O)C3([NH3+])CC4(CCC4)C3)CC2)cc1 ZINC000851630210 1277690725 /nfs/dbraw/zinc/69/07/25/1277690725.db2.gz IVJPKSFWPXSWKC-UHFFFAOYSA-N 1 0 343.471 2.442 10 10 EECERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228976 1293120851 /nfs/dbraw/zinc/12/08/51/1293120851.db2.gz GTOLMMVBGJHUJL-QAPCUYQASA-N 1 0 331.460 2.265 10 10 EECERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862235472 1295762647 /nfs/dbraw/zinc/76/26/47/1295762647.db2.gz SOFNJZZVTDKWMJ-SNVBAGLBSA-N 1 0 327.222 2.385 10 10 EECERO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000796765297 1304575801 /nfs/dbraw/zinc/57/58/01/1304575801.db2.gz YKBCCMPSJIIPAU-MSOLQXFVSA-N 1 0 336.501 2.446 10 10 EECERO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840769348 1315409626 /nfs/dbraw/zinc/40/96/26/1315409626.db2.gz YBNFLCBURVADIY-AWEZNQCLSA-N 1 0 332.423 2.289 10 10 EECERO CN(C)c1ccc([C@H]([NH3+])CNCc2cnn(-c3ccccc3)n2)cc1 ZINC000841042937 1315461306 /nfs/dbraw/zinc/46/13/06/1315461306.db2.gz MYMCAWDGKAKRSY-LJQANCHMSA-N 1 0 336.443 2.123 10 10 EECERO CCc1nccn1[C@@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296560 1315883763 /nfs/dbraw/zinc/88/37/63/1315883763.db2.gz AXLOVFJBBVXOKN-WMLDXEAASA-N 1 0 343.475 2.279 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2ccon2)cc1C ZINC001283591177 1326150060 /nfs/dbraw/zinc/15/00/60/1326150060.db2.gz HYQBANKZLAPQJU-AWEZNQCLSA-N 1 0 331.416 2.171 10 10 EECERO CC[C@@H](C)C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000901676049 1331520974 /nfs/dbraw/zinc/52/09/74/1331520974.db2.gz VGZOALXGVLEULQ-CRAIPNDOSA-N 1 0 333.476 2.417 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCCOC1 ZINC001320693509 1332935915 /nfs/dbraw/zinc/93/59/15/1332935915.db2.gz IMZNZMBHZRHQNR-QGZVFWFLSA-N 1 0 334.460 2.368 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC001331582855 1335040528 /nfs/dbraw/zinc/04/05/28/1335040528.db2.gz YQJUCGISKPFZBS-AWEZNQCLSA-N 1 0 341.835 2.418 10 10 EECERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc2O1 ZINC001622949805 1352391090 /nfs/dbraw/zinc/39/10/90/1352391090.db2.gz FXOJQVYXZKREFU-GFCCVEGCSA-N 1 0 328.368 2.067 10 10 EECERO CCOc1ccc(N2CCN(C(=O)[C@H](C)CC[NH+](C)C)CC2)cc1 ZINC001630992310 1352575458 /nfs/dbraw/zinc/57/54/58/1352575458.db2.gz KPDOKRRAKOXKEO-MRXNPFEDSA-N 1 0 333.476 2.322 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H](C)n2cccn2)cc1C ZINC001668721101 1355992538 /nfs/dbraw/zinc/99/25/38/1355992538.db2.gz UJQWKKWUXKQHGK-APHBUQMISA-N 1 0 342.443 2.223 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cncnc2)cc1C ZINC001670071877 1356271179 /nfs/dbraw/zinc/27/11/79/1356271179.db2.gz DOFAIKCPZONFNW-UHFFFAOYSA-N 1 0 328.416 2.046 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cnns2)cc1C ZINC001674633219 1356866038 /nfs/dbraw/zinc/86/60/38/1356866038.db2.gz JHFABIWEFLEUDU-NWDGAFQWSA-N 1 0 334.445 2.152 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)CC2(O)CCC2)C2CC2)cc1C ZINC001699575361 1405401609 /nfs/dbraw/zinc/40/16/09/1405401609.db2.gz DNIMLTQHVYVEFR-KRWDZBQOSA-N 1 0 346.471 2.293 10 10 EECERO O[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000809743543 783352184 /nfs/dbraw/zinc/35/21/84/783352184.db2.gz UVMZXEZCWZAVKN-AWEZNQCLSA-N 1 0 336.329 2.065 10 10 EECERO COCC(C)(C)[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000822498289 787243182 /nfs/dbraw/zinc/24/31/82/787243182.db2.gz XKOQUKRICMSFSS-UHFFFAOYSA-N 1 0 347.503 2.066 10 10 EECERO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)F ZINC000824637422 788251238 /nfs/dbraw/zinc/25/12/38/788251238.db2.gz XGXCNZQAJKDFTP-ZFWWWQNUSA-N 1 0 332.366 2.157 10 10 EECERO Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC[N@H+](C)CCO)cc1 ZINC000912610831 788266681 /nfs/dbraw/zinc/26/66/81/788266681.db2.gz AFOOKYVDVLPPPF-UHFFFAOYSA-N 1 0 329.444 2.090 10 10 EECERO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825206566 788498042 /nfs/dbraw/zinc/49/80/42/788498042.db2.gz ZYUSGTRFUUKPSI-CQSZACIVSA-N 1 0 343.265 2.355 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844441477 789125338 /nfs/dbraw/zinc/12/53/38/789125338.db2.gz ZTMDYFXLVJCAPR-QGZVFWFLSA-N 1 0 337.414 2.490 10 10 EECERO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000913763584 794247990 /nfs/dbraw/zinc/24/79/90/794247990.db2.gz KSAZAGMDWISKQD-INIZCTEOSA-N 1 0 333.476 2.376 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@@H]2CCOC2)cc1C ZINC001498026585 1106800850 /nfs/dbraw/zinc/80/08/50/1106800850.db2.gz OPIAOZGRZAKQAK-JKSUJKDBSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C2CCN(CCNC(=O)C(C)C)CC2)cc1C ZINC001501249011 1113261849 /nfs/dbraw/zinc/26/18/49/1113261849.db2.gz INRBGGCPQSUSIP-UHFFFAOYSA-N 1 0 347.503 2.330 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001507207245 1115151820 /nfs/dbraw/zinc/15/18/20/1115151820.db2.gz SZPWIZLKFWGFAO-YOEHRIQHSA-N 1 0 334.460 2.007 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cc(C)n[nH]2)cc1C ZINC001568161442 1124334617 /nfs/dbraw/zinc/33/46/17/1124334617.db2.gz QMYYVZBHMHISSL-GFCCVEGCSA-N 1 0 330.432 2.191 10 10 EECERO C[NH+](C)[C@H]1CCN(C2=NC(=O)/C(=C/c3cccc4c3NCC4)S2)C1 ZINC000089210114 282264381 /nfs/dbraw/zinc/26/43/81/282264381.db2.gz KYHOHIRZSUEULT-QTNMRXCUSA-N 1 0 342.468 2.261 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1C ZINC000131322567 237207844 /nfs/dbraw/zinc/20/78/44/237207844.db2.gz RWGMXTINALRZEX-MRXNPFEDSA-N 1 0 338.473 2.009 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000527956278 317293197 /nfs/dbraw/zinc/29/31/97/317293197.db2.gz ONRHSPMUJIOPHE-CUOATXAZSA-N 1 0 330.222 2.345 10 10 EECERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000289322880 464074567 /nfs/dbraw/zinc/07/45/67/464074567.db2.gz FVYMHNODJQQNCB-CQSZACIVSA-N 1 0 346.880 2.210 10 10 EECERO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CN1CC[NH+](C)CC1 ZINC000293609128 464414710 /nfs/dbraw/zinc/41/47/10/464414710.db2.gz LRTPSLOMVYKTFU-GFCCVEGCSA-N 1 0 329.847 2.158 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266283452 464770899 /nfs/dbraw/zinc/77/08/99/464770899.db2.gz UVDUVXDWAIOCCT-KEDPEKRHSA-N 1 0 343.383 2.232 10 10 EECERO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000773741629 577362298 /nfs/dbraw/zinc/36/22/98/577362298.db2.gz LVHGWEGZHOFVKV-CYBMUJFWSA-N 1 0 329.400 2.067 10 10 EECERO CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Br)ccc1O ZINC000079926530 676056334 /nfs/dbraw/zinc/05/63/34/676056334.db2.gz BJWVSWSANVQLFP-JQWIXIFHSA-N 1 0 327.222 2.474 10 10 EECERO COC(=O)c1c(C[NH2+][C@@H](C)C2(CO)CC2)c2cc(F)ccc2n1C ZINC000895255041 684394574 /nfs/dbraw/zinc/39/45/74/684394574.db2.gz YYCNEGVJGLVXHK-NSHDSACASA-N 1 0 334.391 2.355 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cnsn2)C2CC2)cc1C ZINC001670449737 1176796794 /nfs/dbraw/zinc/79/67/94/1176796794.db2.gz HNKBYTYDOYJZRF-CQSZACIVSA-N 1 0 346.456 2.153 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)Cc3cnoc3)C2)cc1C ZINC001691517213 1185625214 /nfs/dbraw/zinc/62/52/14/1185625214.db2.gz HBJMZRIVUKHJEX-JCNLHEQBSA-N 1 0 343.427 2.219 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2C=CCCC2)cc1C ZINC001482743329 1187700907 /nfs/dbraw/zinc/70/09/07/1187700907.db2.gz ZOOKOSTXTCELDN-FUHWJXTLSA-N 1 0 346.471 2.317 10 10 EECERO COc1cc(C)cc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1O ZINC000905703449 1189873924 /nfs/dbraw/zinc/87/39/24/1189873924.db2.gz BGOMJEZGRWUPIO-GOSISDBHSA-N 1 0 334.416 2.420 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000864633711 1197855310 /nfs/dbraw/zinc/85/53/10/1197855310.db2.gz CLBGOZIWMKDJFG-RBUKOAKNSA-N 1 0 345.487 2.212 10 10 EECERO C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000868022201 1201728395 /nfs/dbraw/zinc/72/83/95/1201728395.db2.gz CCFPKRYSPIHPGG-KFWWJZLASA-N 1 0 335.448 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EECERO C[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Br)cc1O ZINC000858522216 1294142305 /nfs/dbraw/zinc/14/23/05/1294142305.db2.gz BPCSFMVMJYNTLJ-JQWIXIFHSA-N 1 0 329.238 2.136 10 10 EECERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000862551557 1295877088 /nfs/dbraw/zinc/87/70/88/1295877088.db2.gz OIMADZOEYISKKK-AWEZNQCLSA-N 1 0 348.468 2.307 10 10 EECERO COC1CCN(c2ccc(C[NH2+]C3(C(=O)N(C)C)CC3)cc2)CC1 ZINC000839633229 1315223374 /nfs/dbraw/zinc/22/33/74/1315223374.db2.gz NLSZVHDRVXDQMA-UHFFFAOYSA-N 1 0 331.460 2.012 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1C ZINC000842722969 1315762171 /nfs/dbraw/zinc/76/21/71/1315762171.db2.gz WGILTPWZISYWNL-HNNXBMFYSA-N 1 0 347.436 2.334 10 10 EECERO CCO[C@@]1(C)C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001251501771 1317465186 /nfs/dbraw/zinc/46/51/86/1317465186.db2.gz ZNCVGEOECUNDBY-LMMKCTJWSA-N 1 0 348.491 2.222 10 10 EECERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)c2nc[nH]n2)cc1C ZINC001282329741 1325693099 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O=[N+]([O-])c1cc(C[NH2+]CCOCCCO)ccc1N1CCCCC1 ZINC001323748661 1333530716 /nfs/dbraw/zinc/53/07/16/1333530716.db2.gz PTIVDMDPSFFHJX-UHFFFAOYSA-N 1 0 337.420 2.074 10 10 EECERO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001324236464 1333640255 /nfs/dbraw/zinc/64/02/55/1333640255.db2.gz SNWPAPBGKUJSQM-UHFFFAOYSA-N 1 0 345.487 2.356 10 10 EECERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC(C)(C)CS(N)(=O)=O ZINC001329375084 1334636036 /nfs/dbraw/zinc/63/60/36/1334636036.db2.gz IAWQPPPTWLAPAK-RYUDHWBXSA-N 1 0 326.462 2.153 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2nnc[nH]2)C(C)(C)C)cc1C ZINC001571634269 1343256055 /nfs/dbraw/zinc/25/60/55/1343256055.db2.gz FIJVJPGCOPPRIJ-HNNXBMFYSA-N 1 0 345.447 2.056 10 10 EECERO C[C@H](CC[NH+](C)C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001628687091 1352540529 /nfs/dbraw/zinc/54/05/29/1352540529.db2.gz ICANVDOPROGUEM-MRXNPFEDSA-N 1 0 347.503 2.099 10 10 EECERO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001640396758 1352709395 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COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H](C)C(C)C)CC2)cc1 ZINC000819092820 785397584 /nfs/dbraw/zinc/39/75/84/785397584.db2.gz FIPPRVHLNINPIY-IEBWSBKVSA-N 1 0 349.519 2.060 10 10 EECERO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000824559082 788214900 /nfs/dbraw/zinc/21/49/00/788214900.db2.gz FCQSYFRUVHFAAG-AWEZNQCLSA-N 1 0 348.237 2.040 10 10 EECERO C[C@@H]1[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000925344857 793656353 /nfs/dbraw/zinc/65/63/53/793656353.db2.gz RJYOOGITZRWLMN-SKDRFNHKSA-N 1 0 342.237 2.047 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)CC[S@](=O)C(F)(F)F)cc1 ZINC001473609439 1110577559 /nfs/dbraw/zinc/57/75/59/1110577559.db2.gz BGYDYPFTNPPWQV-QFIPXVFZSA-N 1 0 338.395 2.332 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CCOC2)cc1C ZINC001507058359 1115086700 /nfs/dbraw/zinc/08/67/00/1115086700.db2.gz HECZYTHHWFUGNP-WBVHZDCISA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(F)cc2)cc1C ZINC001507167693 1115144249 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EECERO CN1CCCc2cc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000171905412 463946883 /nfs/dbraw/zinc/94/68/83/463946883.db2.gz PBKOZQKPNCAUGO-QGZVFWFLSA-N 1 0 328.460 2.059 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1OC ZINC000529671061 467893433 /nfs/dbraw/zinc/89/34/33/467893433.db2.gz YIYYFDVHAALPCK-HNNXBMFYSA-N 1 0 342.395 2.326 10 10 EECERO COc1ccc(O)c(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000734070695 577276220 /nfs/dbraw/zinc/27/62/20/577276220.db2.gz ZKTNPYFDDSPJGF-ZIAGYGMSSA-N 1 0 335.448 2.463 10 10 EECERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656937 577862004 /nfs/dbraw/zinc/86/20/04/577862004.db2.gz PPMANOJFNXDIDZ-HOCLYGCPSA-N 1 0 342.443 2.276 10 10 EECERO COc1cc(C)cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000894872181 683262873 /nfs/dbraw/zinc/26/28/73/683262873.db2.gz ZISHLKGPTOISIM-AWEZNQCLSA-N 1 0 347.436 2.370 10 10 EECERO CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001481072258 1179674843 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EECERO C[C@@H](CCC[NH3+])NC(=O)NCc1cc(Br)ccc1O ZINC000841999198 1188217708 /nfs/dbraw/zinc/21/77/08/1188217708.db2.gz CWKKXSKRCMKEIK-VIFPVBQESA-N 1 0 330.226 2.081 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ccsc2C)cc1C ZINC001272413432 1190807619 /nfs/dbraw/zinc/80/76/19/1190807619.db2.gz CTIJCEMPMKDZKP-HNNXBMFYSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001272503088 1190855227 /nfs/dbraw/zinc/85/52/27/1190855227.db2.gz APHASVMUSKORIY-MRXNPFEDSA-N 1 0 334.460 2.007 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3nonc3C)CCC2)cc1C ZINC001484667185 1191464258 /nfs/dbraw/zinc/46/42/58/1191464258.db2.gz KEEZZNNREDGBAJ-UHFFFAOYSA-N 1 0 344.415 2.137 10 10 EECERO CC[C@@H]1C[N@H+](C)CCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000814938234 1199802722 /nfs/dbraw/zinc/80/27/22/1199802722.db2.gz HNLFDBXFATZOML-IQCBXXCUSA-N 1 0 333.388 2.311 10 10 EECERO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929753640 1206498146 /nfs/dbraw/zinc/49/81/46/1206498146.db2.gz TWAYQZIIIFAROX-INIZCTEOSA-N 1 0 328.416 2.183 10 10 EECERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092510165 1214562379 /nfs/dbraw/zinc/56/23/79/1214562379.db2.gz JNUFREPIDMCVJY-LJQANCHMSA-N 1 0 345.487 2.356 10 10 EECERO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000827099193 1249896225 /nfs/dbraw/zinc/89/62/25/1249896225.db2.gz QEQPQJWQBJFSJL-FZKQIMNGSA-N 1 0 337.391 2.321 10 10 EECERO COc1cc(Br)cc(CN2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000903984444 1242867992 /nfs/dbraw/zinc/86/79/92/1242867992.db2.gz ADZNMUMRXKVHOQ-GFCCVEGCSA-N 1 0 329.238 2.332 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C(N)=O)cs3)C2)cc1 ZINC000850347124 1277193252 /nfs/dbraw/zinc/19/32/52/1277193252.db2.gz NUJSLAUHNYONCY-CYBMUJFWSA-N 1 0 331.441 2.224 10 10 EECERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC000858226494 1294053098 /nfs/dbraw/zinc/05/30/98/1294053098.db2.gz OEXBEXYXJHNXHA-MSOLQXFVSA-N 1 0 349.431 2.215 10 10 EECERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)ccc1O ZINC000858522688 1294142192 /nfs/dbraw/zinc/14/21/92/1294142192.db2.gz HNYJODONEGBEKX-CMPLNLGQSA-N 1 0 329.238 2.136 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000859544116 1294478326 /nfs/dbraw/zinc/47/83/26/1294478326.db2.gz QUKRGKUEDKZNRK-SJORKVTESA-N 1 0 333.501 2.339 10 10 EECERO O=C(NCc1ccc2cccnc2c1O)C1CC[NH+](C2CC2)CC1 ZINC000862026420 1295660988 /nfs/dbraw/zinc/66/09/88/1295660988.db2.gz NVTVKQZOJNSEKO-UHFFFAOYSA-N 1 0 325.412 2.431 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@@]34C[C@@H]3COC4(C)C)cc2F)CC1 ZINC001118860384 1308953113 /nfs/dbraw/zinc/95/31/13/1308953113.db2.gz NHBLCQBJTBCGRT-BEFAXECRSA-N 1 0 333.451 2.235 10 10 EECERO COC(=O)[C@H](O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840920222 1315436488 /nfs/dbraw/zinc/43/64/88/1315436488.db2.gz STQCLZPBTFFHDC-OAHLLOKOSA-N 1 0 327.808 2.100 10 10 EECERO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840941261 1315441897 /nfs/dbraw/zinc/44/18/97/1315441897.db2.gz VARWMDDXRPBGSC-UONOGXRCSA-N 1 0 343.851 2.200 10 10 EECERO [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841088028 1315471609 /nfs/dbraw/zinc/47/16/09/1315471609.db2.gz VFUKPDMOSABDIY-UHFFFAOYSA-N 1 0 341.858 2.491 10 10 EECERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000843427991 1315913247 /nfs/dbraw/zinc/91/32/47/1315913247.db2.gz DZKAZOWFNYDQCR-QGZVFWFLSA-N 1 0 344.503 2.229 10 10 EECERO COc1cccc(CNC(=O)c2cc(-n3ccnc3)ccc2O)c1O ZINC001150543380 1316295295 /nfs/dbraw/zinc/29/52/95/1316295295.db2.gz NGTXIEPLLBPHKC-UHFFFAOYSA-N 1 0 339.351 2.222 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2[nH]cnc2C)C2CC2)cc1C ZINC001265381914 1323109005 /nfs/dbraw/zinc/10/90/05/1323109005.db2.gz DWCGEBPZIRAODW-MRXNPFEDSA-N 1 0 342.443 2.333 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)C2)cc1 ZINC001299769571 1330167030 /nfs/dbraw/zinc/16/70/30/1330167030.db2.gz DPYYWOIUPWFHQX-CVEARBPZSA-N 1 0 333.476 2.226 10 10 EECERO CCCOCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317313744 1332175730 /nfs/dbraw/zinc/17/57/30/1332175730.db2.gz RJQISVNYTIXMOR-KRWDZBQOSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cnccn2)C(C)C)cc1C ZINC001319896344 1332793545 /nfs/dbraw/zinc/79/35/45/1332793545.db2.gz NOHYMMRSELWJAZ-MRXNPFEDSA-N 1 0 342.443 2.338 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC001329352876 1334632366 /nfs/dbraw/zinc/63/23/66/1334632366.db2.gz ZWOJUQBUNCEOPZ-HNNXBMFYSA-N 1 0 329.444 2.019 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ncccn2)C2CC2)cc1C ZINC001566725389 1342614614 /nfs/dbraw/zinc/61/46/14/1342614614.db2.gz CUNJVODHXNVEGO-INIZCTEOSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2nnc[nH]2)C(C)(C)C)cc1C ZINC001571634270 1343256102 /nfs/dbraw/zinc/25/61/02/1343256102.db2.gz FIJVJPGCOPPRIJ-OAHLLOKOSA-N 1 0 345.447 2.056 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2ccsc2C)cc1C ZINC001676529944 1357161650 /nfs/dbraw/zinc/16/16/50/1357161650.db2.gz PBGNFOZQHSAURL-HNNXBMFYSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001632049657 1352592696 /nfs/dbraw/zinc/59/26/96/1352592696.db2.gz NBCQQCCOLUKLBI-UHFFFAOYSA-N 1 0 333.476 2.322 10 10 EECERO CCCCC[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001647082914 1353131899 /nfs/dbraw/zinc/13/18/99/1353131899.db2.gz XLRVLOHFQHSTOF-QZTJIDSGSA-N 1 0 335.492 2.413 10 10 EECERO COc1cc(Cl)cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000809703314 783319295 /nfs/dbraw/zinc/31/92/95/783319295.db2.gz IAMCGSAORFBWEZ-VIFPVBQESA-N 1 0 333.837 2.110 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn4cccnc4n3)C2)cc1 ZINC000822494097 787220576 /nfs/dbraw/zinc/22/05/76/787220576.db2.gz GHXVSLRDSYJSBQ-OAHLLOKOSA-N 1 0 337.427 2.354 10 10 EECERO O=C1OCC[C@@H]2CN(Cc3ccc(Br)cc3O)CCN12 ZINC000824949748 788369423 /nfs/dbraw/zinc/36/94/23/788369423.db2.gz PASPYJQLCJRWAH-GFCCVEGCSA-N 1 0 341.205 2.181 10 10 EECERO Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)n(C2CC[NH+](C)CC2)n1 ZINC001148793237 792708474 /nfs/dbraw/zinc/70/84/74/792708474.db2.gz OMKLNMGOCUHADA-UHFFFAOYSA-N 1 0 344.415 2.051 10 10 EECERO CC[NH+](CC)CCNC(=O)NCc1cc(Br)ccc1O ZINC000806272441 811810911 /nfs/dbraw/zinc/81/09/11/811810911.db2.gz DVAZCBMXYKMGPR-UHFFFAOYSA-N 1 0 344.253 2.296 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2=CCOCC2)cc1C ZINC001507069048 1115091627 /nfs/dbraw/zinc/09/16/27/1115091627.db2.gz VPNYBOVFBDDNSZ-OAHLLOKOSA-N 1 0 332.444 2.287 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@@H]2CC=CCC2)cc1C ZINC001507222792 1115155379 /nfs/dbraw/zinc/15/53/79/1115155379.db2.gz SMKPCTDWJFQMRW-AEFFLSMTSA-N 1 0 346.471 2.317 10 10 EECERO CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000019900125 212081060 /nfs/dbraw/zinc/08/10/60/212081060.db2.gz IWGNVTVKHIDORN-ZYHUDNBSSA-N 1 0 348.262 2.383 10 10 EECERO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000132605804 258014963 /nfs/dbraw/zinc/01/49/63/258014963.db2.gz FCONVHWILWMALV-AWEZNQCLSA-N 1 0 341.411 2.039 10 10 EECERO COc1ccc(O)c(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000074261760 462576571 /nfs/dbraw/zinc/57/65/71/462576571.db2.gz PRUMYCVONSQYSZ-GOOCMWNKSA-N 1 0 333.432 2.215 10 10 EECERO CN(C)c1ccc2c(c1)OCCN2C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540925621 468373203 /nfs/dbraw/zinc/37/32/03/468373203.db2.gz BOEOGFMXXXUXNB-UHFFFAOYSA-N 1 0 340.427 2.400 10 10 EECERO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(F)cc(C(C)=O)c3O)[C@H]2C1 ZINC000292939588 464378322 /nfs/dbraw/zinc/37/83/22/464378322.db2.gz CBPZPOQBZUFNCP-DLBZAZTESA-N 1 0 336.407 2.029 10 10 EECERO COc1cccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)c1O ZINC000369787022 466754399 /nfs/dbraw/zinc/75/43/99/466754399.db2.gz LQOZVVNTCVEZMT-UHFFFAOYSA-N 1 0 333.432 2.217 10 10 EECERO CCOC(=O)C1(COC)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000373469504 466814071 /nfs/dbraw/zinc/81/40/71/466814071.db2.gz OGMPOQLUWWDUBX-UHFFFAOYSA-N 1 0 325.380 2.323 10 10 EECERO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@@]2(CCOC2)O1 ZINC000373477755 466816638 /nfs/dbraw/zinc/81/66/38/466816638.db2.gz BLGQVKKKEWBQIB-RDTXWAMCSA-N 1 0 337.416 2.179 10 10 EECERO CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000377721313 467126641 /nfs/dbraw/zinc/12/66/41/467126641.db2.gz MICSRKZGIWDNSZ-ZDUSSCGKSA-N 1 0 328.416 2.543 10 10 EECERO CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732456328 577181242 /nfs/dbraw/zinc/18/12/42/577181242.db2.gz HDIWNYNYTFHLED-GOSISDBHSA-N 1 0 342.487 2.447 10 10 EECERO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000772960881 577307837 /nfs/dbraw/zinc/30/78/37/577307837.db2.gz KUBTYERUEOWUMQ-QGZVFWFLSA-N 1 0 339.505 2.219 10 10 EECERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773306994 577331982 /nfs/dbraw/zinc/33/19/82/577331982.db2.gz NBXNRWIIXHPTNQ-CRAIPNDOSA-N 1 0 348.491 2.224 10 10 EECERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OCC)cc1O ZINC000776014479 577450538 /nfs/dbraw/zinc/45/05/38/577450538.db2.gz RYFIPCBPJRPIPR-HOCLYGCPSA-N 1 0 337.416 2.333 10 10 EECERO CCOc1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(O)c1 ZINC000769342386 577575507 /nfs/dbraw/zinc/57/55/07/577575507.db2.gz LZMQYBAZQSPPGB-GOSISDBHSA-N 1 0 347.503 2.393 10 10 EECERO COC[C@H](C)C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000187625605 678725151 /nfs/dbraw/zinc/72/51/51/678725151.db2.gz JNLUQRDCFGBLFN-QGZVFWFLSA-N 1 0 335.492 2.079 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)Cc2cnoc2)C2CC2)cc1C ZINC001670512155 1176853293 /nfs/dbraw/zinc/85/32/93/1176853293.db2.gz GWSZVJFGVYDDKJ-QGZVFWFLSA-N 1 0 343.427 2.219 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccc(=O)[nH]c2)cc1C ZINC001267153417 1178335178 /nfs/dbraw/zinc/33/51/78/1178335178.db2.gz IPIHOHVRDCXQGW-AWEZNQCLSA-N 1 0 343.427 2.402 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c(C)noc2C)cc1C ZINC001267345675 1178796445 /nfs/dbraw/zinc/79/64/45/1178796445.db2.gz OLVQNYXXANDWAY-UHFFFAOYSA-N 1 0 331.416 2.470 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2c(C)noc2C)cc1C ZINC001267468096 1179086140 /nfs/dbraw/zinc/08/61/40/1179086140.db2.gz VJBWHRSAPZBFHA-UHFFFAOYSA-N 1 0 345.443 2.399 10 10 EECERO COc1nc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001270469441 1185115236 /nfs/dbraw/zinc/11/52/36/1185115236.db2.gz LRNSSZKXVOLVSW-LBPRGKRZSA-N 1 0 347.415 2.156 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@]2(C)CCOC2)cc1C ZINC001482883024 1187807710 /nfs/dbraw/zinc/80/77/10/1187807710.db2.gz BDLDPQONSFAUDZ-HNAYVOBHSA-N 1 0 334.460 2.415 10 10 EECERO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978304 1188212514 /nfs/dbraw/zinc/21/25/14/1188212514.db2.gz MQYUGJSTOZNPGW-GFCCVEGCSA-N 1 0 342.237 2.096 10 10 EECERO Cc1nocc1C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483299185 1190321867 /nfs/dbraw/zinc/32/18/67/1190321867.db2.gz QPLQISMMMWPBIL-JTQLQIEISA-N 1 0 344.375 2.054 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC2(O)CCC2)cc1C ZINC001484992240 1191609136 /nfs/dbraw/zinc/60/91/36/1191609136.db2.gz AQTVIRCMGQLZNX-HNNXBMFYSA-N 1 0 334.460 2.293 10 10 EECERO COCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485078529 1191646485 /nfs/dbraw/zinc/64/64/85/1191646485.db2.gz GTHTYBPOUFKJNQ-OAHLLOKOSA-N 1 0 347.419 2.032 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2cn[nH]c2)cc1C ZINC001485200690 1191683572 /nfs/dbraw/zinc/68/35/72/1191683572.db2.gz SHTTWLBDMHTZFL-LSDHHAIUSA-N 1 0 344.459 2.342 10 10 EECERO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000865819659 1198391170 /nfs/dbraw/zinc/39/11/70/1198391170.db2.gz ZFULGYPJJVWKDS-UHFFFAOYSA-N 1 0 348.468 2.244 10 10 EECERO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c1O ZINC000866571229 1201550615 /nfs/dbraw/zinc/55/06/15/1201550615.db2.gz BCASPFMZLLUORF-JTQLQIEISA-N 1 0 334.869 2.319 10 10 EECERO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccns3)cc2)CC1 ZINC000886325148 1202492650 /nfs/dbraw/zinc/49/26/50/1202492650.db2.gz WOLLDLXNVFEUPO-UHFFFAOYSA-N 1 0 330.457 2.135 10 10 EECERO CNC(=O)C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000796035694 1215261914 /nfs/dbraw/zinc/26/19/14/1215261914.db2.gz BDLJAFQKNMGTAF-OAHLLOKOSA-N 1 0 344.411 2.376 10 10 EECERO CC(=O)c1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1O ZINC000796577409 1221421453 /nfs/dbraw/zinc/42/14/53/1221421453.db2.gz FZQDUDNTLXWJPC-XHDPSFHLSA-N 1 0 327.808 2.220 10 10 EECERO O=C(NCc1ccccc1O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001137471644 1248668376 /nfs/dbraw/zinc/66/83/76/1248668376.db2.gz UXDUTPIFJKMWAP-HXUWFJFHSA-N 1 0 340.423 2.036 10 10 EECERO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000903982855 1242858895 /nfs/dbraw/zinc/85/88/95/1242858895.db2.gz XNDHWLHEOQBEGT-JKSUJKDBSA-N 1 0 343.393 2.235 10 10 EECERO COC(=O)c1coc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000826844900 1248088777 /nfs/dbraw/zinc/08/87/77/1248088777.db2.gz BMJOVWGLKRPUPK-AWEZNQCLSA-N 1 0 330.384 2.443 10 10 EECERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000850384911 1277208763 /nfs/dbraw/zinc/20/87/63/1277208763.db2.gz SUURVXKHKKIWRE-DZGCQCFKSA-N 1 0 329.400 2.355 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3(OC)CCOCC3)C2)cc1 ZINC000850489218 1277241657 /nfs/dbraw/zinc/24/16/57/1277241657.db2.gz WMWFORGMPIWUNE-HOTGVXAUSA-N 1 0 334.460 2.448 10 10 EECERO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1O ZINC000850518030 1277257178 /nfs/dbraw/zinc/25/71/78/1277257178.db2.gz IQTFMMGEWFEKJY-VIFPVBQESA-N 1 0 341.351 2.029 10 10 EECERO CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1 ZINC000852791284 1292199593 /nfs/dbraw/zinc/19/95/93/1292199593.db2.gz YFQCFUASRPTVHT-HNNXBMFYSA-N 1 0 341.459 2.263 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000852844138 1292213338 /nfs/dbraw/zinc/21/33/38/1292213338.db2.gz QVIFQEQPIRXKGZ-ZACQAIPSSA-N 1 0 345.487 2.416 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC000855224650 1293117650 /nfs/dbraw/zinc/11/76/50/1293117650.db2.gz GTMGOVBRBDDELF-INIZCTEOSA-N 1 0 331.460 2.122 10 10 EECERO Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c(O)c1O ZINC000856409942 1293517363 /nfs/dbraw/zinc/51/73/63/1293517363.db2.gz DWGBKIPSFCVEIM-AWEZNQCLSA-N 1 0 348.443 2.122 10 10 EECERO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000856595106 1293576348 /nfs/dbraw/zinc/57/63/48/1293576348.db2.gz OASWTFOMWUZONZ-KRWDZBQOSA-N 1 0 335.379 2.046 10 10 EECERO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)ccc1O ZINC000858434764 1294116771 /nfs/dbraw/zinc/11/67/71/1294116771.db2.gz OSNSJGSBCLOKGF-CABZTGNLSA-N 1 0 340.221 2.272 10 10 EECERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000861672361 1295498572 /nfs/dbraw/zinc/49/85/72/1295498572.db2.gz FXVYLIDBXWSNLL-NWDGAFQWSA-N 1 0 342.237 2.094 10 10 EECERO CN(C)c1cc(F)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1F ZINC000862417379 1295840740 /nfs/dbraw/zinc/84/07/40/1295840740.db2.gz AYRMWRLISFBHQK-HNNXBMFYSA-N 1 0 339.430 2.062 10 10 EECERO CCc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000863325053 1296221642 /nfs/dbraw/zinc/22/16/42/1296221642.db2.gz RFPRVTRNRFJJKE-HNNXBMFYSA-N 1 0 334.460 2.328 10 10 EECERO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926872419 1296946417 /nfs/dbraw/zinc/94/64/17/1296946417.db2.gz GKIHXXDVGGTJMD-GJZGRUSLSA-N 1 0 345.487 2.149 10 10 EECERO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841296763 1315524561 /nfs/dbraw/zinc/52/45/61/1315524561.db2.gz HYYJHKLMOTWWED-UHFFFAOYSA-N 1 0 327.388 2.027 10 10 EECERO CN(C)c1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000841655223 1315591051 /nfs/dbraw/zinc/59/10/51/1315591051.db2.gz QWOZGUHYVHXFGE-UHFFFAOYSA-N 1 0 340.471 2.466 10 10 EECERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707151 1315601286 /nfs/dbraw/zinc/60/12/86/1315601286.db2.gz OIDKCENTCNJKFF-RHSMWYFYSA-N 1 0 348.516 2.037 10 10 EECERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841726042 1315604113 /nfs/dbraw/zinc/60/41/13/1315604113.db2.gz QBHRFGKEODQCSC-IBGZPJMESA-N 1 0 340.471 2.283 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1F ZINC000841797934 1315614726 /nfs/dbraw/zinc/61/47/26/1315614726.db2.gz CXWVJHRSZRCDIQ-CJNGLKHVSA-N 1 0 336.455 2.469 10 10 EECERO COc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000843429169 1315913260 /nfs/dbraw/zinc/91/32/60/1315913260.db2.gz WKKKIPNKXYRBLE-MRXNPFEDSA-N 1 0 329.824 2.321 10 10 EECERO CCN(CC)c1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1 ZINC000843428632 1315913549 /nfs/dbraw/zinc/91/35/49/1315913549.db2.gz LHMVUEKIDLMSEJ-INIZCTEOSA-N 1 0 332.492 2.085 10 10 EECERO CC(C)OCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001265319967 1323069473 /nfs/dbraw/zinc/06/94/73/1323069473.db2.gz VNERQKVZTCBCJB-HNNXBMFYSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)COCC3CC3)C2)cc1C ZINC001265529895 1323206963 /nfs/dbraw/zinc/20/69/63/1323206963.db2.gz QHFZUYJUKWPRHD-CALCHBBNSA-N 1 0 332.444 2.167 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccncn2)cc1C ZINC001281757681 1325438799 /nfs/dbraw/zinc/43/87/99/1325438799.db2.gz DGMJPZDWSZMILU-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO C[C@@H](CC[NH+](C)C)C(=O)NCc1cccc(Br)c1O ZINC001297441747 1329972220 /nfs/dbraw/zinc/97/22/20/1329972220.db2.gz WYXDVWWYSZPSBD-JTQLQIEISA-N 1 0 329.238 2.359 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](CC[NH2+]CCF)C2)cc1 ZINC001570023719 1343001744 /nfs/dbraw/zinc/00/17/44/1343001744.db2.gz BHUBTBAJHUZPMS-GFCCVEGCSA-N 1 0 335.383 2.260 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2cnoc2)cc1C ZINC001570627038 1343093876 /nfs/dbraw/zinc/09/38/76/1343093876.db2.gz ISUCRKQGGMESME-KGLIPLIRSA-N 1 0 331.416 2.217 10 10 EECERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc2O1 ZINC001622949806 1352390976 /nfs/dbraw/zinc/39/09/76/1352390976.db2.gz FXOJQVYXZKREFU-LBPRGKRZSA-N 1 0 328.368 2.067 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cn2ccnc2C)cc1C ZINC001666666703 1355562026 /nfs/dbraw/zinc/56/20/26/1355562026.db2.gz GYIRQHWYADTAQT-AWEZNQCLSA-N 1 0 344.459 2.051 10 10 EECERO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)OC1=O ZINC000846845800 790672891 /nfs/dbraw/zinc/67/28/91/790672891.db2.gz QYUXDWVIXYAKGM-PBHICJAKSA-N 1 0 333.432 2.015 10 10 EECERO COc1c([O-])c(C[NH2+]CCC[N@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000845996517 790028941 /nfs/dbraw/zinc/02/89/41/790028941.db2.gz PWFVPEKSDVQPBG-UHFFFAOYSA-N 1 0 325.409 2.377 10 10 EECERO CCC/C=C\[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001180180021 800288501 /nfs/dbraw/zinc/28/85/01/800288501.db2.gz TVDVDCDYVSFGLI-GNBGVQPESA-N 1 0 333.476 2.189 10 10 EECERO CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788563072 807577909 /nfs/dbraw/zinc/57/79/09/807577909.db2.gz KIBLAJFUWCVLDS-RDJZCZTQSA-N 1 0 329.448 2.244 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2nc(C)c[nH]2)cc1C ZINC001495766175 1101559487 /nfs/dbraw/zinc/55/94/87/1101559487.db2.gz QCYDQOXHXIBQFH-GFCCVEGCSA-N 1 0 330.432 2.191 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cccc(=O)[nH]2)cc1C ZINC001498529244 1107678177 /nfs/dbraw/zinc/67/81/77/1107678177.db2.gz MBTZAHFZPXHJAP-UHFFFAOYSA-N 1 0 343.427 2.356 10 10 EECERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001543809110 1124135225 /nfs/dbraw/zinc/13/52/25/1124135225.db2.gz FEXJEBFSNNXKCL-IEBWSBKVSA-N 1 0 345.487 2.260 10 10 EECERO CCc1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001568160243 1124333625 /nfs/dbraw/zinc/33/36/25/1124333625.db2.gz FDPDKXHCWPYTBR-ZDUSSCGKSA-N 1 0 344.459 2.445 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2CCC(O)CC2)cc1C ZINC001568843924 1124863000 /nfs/dbraw/zinc/86/30/00/1124863000.db2.gz VZOGKCVKWQNYOY-ONEGZZNKSA-N 1 0 346.471 2.317 10 10 EECERO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000328634053 258026294 /nfs/dbraw/zinc/02/62/94/258026294.db2.gz MLMVNKCPPSAMOK-QFBILLFUSA-N 1 0 326.444 2.422 10 10 EECERO CN(C)c1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185079946 463748515 /nfs/dbraw/zinc/74/85/15/463748515.db2.gz RIHQSGAVUCQWCW-UHFFFAOYSA-N 1 0 344.434 2.413 10 10 EECERO COc1c([O-])c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000278521333 463969605 /nfs/dbraw/zinc/96/96/05/463969605.db2.gz SDSIFQYMNWMNCS-AGUYFDCRSA-N 1 0 335.404 2.414 10 10 EECERO C[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[S@](C)=O ZINC000773066034 577313736 /nfs/dbraw/zinc/31/37/36/577313736.db2.gz SRPJRDZCMLIQDF-XXAQJILISA-N 1 0 342.480 2.470 10 10 EECERO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769429315 577577834 /nfs/dbraw/zinc/57/78/34/577577834.db2.gz XSFYOBIAKQRGJZ-QGZVFWFLSA-N 1 0 346.452 2.312 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc1OC ZINC000895820090 684736514 /nfs/dbraw/zinc/73/65/14/684736514.db2.gz MCYTWLKAJPGFIA-IAISJRAMSA-N 1 0 337.416 2.226 10 10 EECERO CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000924747929 693575965 /nfs/dbraw/zinc/57/59/65/693575965.db2.gz AXJLHBNIQZUANS-CQSZACIVSA-N 1 0 329.448 2.294 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]([NH2+]CCCF)C2CC2)cc1 ZINC001266445845 1176545133 /nfs/dbraw/zinc/54/51/33/1176545133.db2.gz ZTDFGNJEKYWKRD-CQSZACIVSA-N 1 0 335.383 2.307 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C3CC3)n[nH]2)cc1C ZINC001266843425 1177527156 /nfs/dbraw/zinc/52/71/56/1177527156.db2.gz QMSPKZPVCPOZSE-UHFFFAOYSA-N 1 0 342.443 2.466 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2nccc2C)cc1C ZINC001268085831 1181703848 /nfs/dbraw/zinc/70/38/48/1181703848.db2.gz ITERUCIXJXESHV-INIZCTEOSA-N 1 0 344.459 2.145 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cnc(C)cn2)cc1C ZINC001268344285 1182290474 /nfs/dbraw/zinc/29/04/74/1182290474.db2.gz XKHVSNWLMWHSHY-CQSZACIVSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2c(C)ncn2C)cc1C ZINC001268552836 1183244292 /nfs/dbraw/zinc/24/42/92/1183244292.db2.gz UARQLUZDADLNNG-AATRIKPKSA-N 1 0 342.443 2.121 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2[nH]cnc2C)cc1C ZINC001482904883 1187830172 /nfs/dbraw/zinc/83/01/72/1187830172.db2.gz IBBNGWCWKAIVEZ-CYBMUJFWSA-N 1 0 330.432 2.333 10 10 EECERO CCc1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000881854228 1201775505 /nfs/dbraw/zinc/77/55/05/1201775505.db2.gz XXTROAVJXUMRFJ-UHFFFAOYSA-N 1 0 342.443 2.227 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)n2cccn2)cc1C ZINC001275078163 1205250308 /nfs/dbraw/zinc/25/03/08/1205250308.db2.gz LQHQVGQXMAFERM-LSDHHAIUSA-N 1 0 330.432 2.056 10 10 EECERO C/C=C/[C@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127971 1235256904 /nfs/dbraw/zinc/25/69/04/1235256904.db2.gz RENCQRQQXJSRQQ-FKFXUJFPSA-N 1 0 338.835 2.063 10 10 EECERO COc1cc(O)c(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1OC ZINC000826902210 1248116159 /nfs/dbraw/zinc/11/61/59/1248116159.db2.gz ISAOJYWHVLTNJB-AWEZNQCLSA-N 1 0 342.395 2.087 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CC3(O)CCC3)C2)cc1C ZINC001488826192 1290226194 /nfs/dbraw/zinc/22/61/94/1290226194.db2.gz JKSUBXKUJJAOAV-QAQDUYKDSA-N 1 0 346.471 2.293 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@@H]2CCOC2)C2CC2)cc1C ZINC001490648858 1291569417 /nfs/dbraw/zinc/56/94/17/1291569417.db2.gz NIDDQXIWKQHOLZ-WMZOPIPTSA-N 1 0 346.471 2.415 10 10 EECERO CC[N@H+](CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000852064039 1291978249 /nfs/dbraw/zinc/97/82/49/1291978249.db2.gz IRDPPJJUEUEYDG-OAHLLOKOSA-N 1 0 346.475 2.057 10 10 EECERO CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000853775739 1292447505 /nfs/dbraw/zinc/44/75/05/1292447505.db2.gz AJAABXOCGSNUEL-SFHVURJKSA-N 1 0 328.460 2.298 10 10 EECERO COCCN1CCC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000858122436 1294013169 /nfs/dbraw/zinc/01/31/69/1294013169.db2.gz NCMRQWOMMJGOMI-LBPRGKRZSA-N 1 0 343.265 2.355 10 10 EECERO C[C@H]([NH2+]Cc1c(O)cccc1Br)C1(S(C)(=O)=O)CC1 ZINC000858163453 1294028801 /nfs/dbraw/zinc/02/88/01/1294028801.db2.gz GSGUGPTWTFFCHA-VIFPVBQESA-N 1 0 348.262 2.210 10 10 EECERO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Br)cc1O ZINC000858522217 1294142086 /nfs/dbraw/zinc/14/20/86/1294142086.db2.gz BPCSFMVMJYNTLJ-PWSUYJOCSA-N 1 0 329.238 2.136 10 10 EECERO COc1cc(Br)cc(CN[C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863485049 1296301900 /nfs/dbraw/zinc/30/19/00/1296301900.db2.gz SIOWBBDIRSHBSO-CABZTGNLSA-N 1 0 329.238 2.393 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CO[C@H](C)C3)CC2)cc1C ZINC001277102025 1301270490 /nfs/dbraw/zinc/27/04/90/1301270490.db2.gz OYTGFYANJPCIBH-GDBMZVCRSA-N 1 0 332.444 2.167 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)n2cccn2)cc1C ZINC001277760523 1304358083 /nfs/dbraw/zinc/35/80/83/1304358083.db2.gz VOPVZUIWYLKEQR-HOTGVXAUSA-N 1 0 344.459 2.398 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000840269588 1315341090 /nfs/dbraw/zinc/34/10/90/1315341090.db2.gz YMONEHZPXRGFJK-DOTOQJQBSA-N 1 0 332.492 2.385 10 10 EECERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001261501966 1322115079 /nfs/dbraw/zinc/11/50/79/1322115079.db2.gz UNGHQWUYUXYFEZ-MOPGFXCFSA-N 1 0 345.487 2.029 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[C@@H]2CCOC2)cc1C ZINC001317230593 1332145657 /nfs/dbraw/zinc/14/56/57/1332145657.db2.gz BBJLRIDUHCPEPH-JKSUJKDBSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H]2CCCOC2)cc1C ZINC001317286900 1332165410 /nfs/dbraw/zinc/16/54/10/1332165410.db2.gz SZSULCPOWRFGDY-WBVHZDCISA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2[nH]c(C)nc2C)cc1C ZINC001321653108 1333138373 /nfs/dbraw/zinc/13/83/73/1333138373.db2.gz WSZBMQDRDGTVOW-GFCCVEGCSA-N 1 0 330.432 2.252 10 10 EECERO CN1CCN(c2ccc(C[NH+]3CC4(C3)CCOCC4)cc2F)CC1 ZINC001324710570 1333743726 /nfs/dbraw/zinc/74/37/26/1333743726.db2.gz NMNWQMMHXLZJGQ-UHFFFAOYSA-N 1 0 333.451 2.190 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCC2(C)C)cc1C ZINC001332559532 1335849464 /nfs/dbraw/zinc/84/94/64/1335849464.db2.gz DEMSASVTDQCHNZ-SJORKVTESA-N 1 0 348.487 2.349 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2nn(C)cc2C)cc1C ZINC001570605292 1343091723 /nfs/dbraw/zinc/09/17/23/1343091723.db2.gz QKBVWSAVGLMBEY-HUUCEWRRSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)c2cn[nH]c2)cc1C ZINC001571356700 1343195339 /nfs/dbraw/zinc/19/53/39/1343195339.db2.gz WTROWYORRHDZIO-QGZVFWFLSA-N 1 0 342.443 2.367 10 10 EECERO COc1ccc(N2CCC(NC(=O)CC[N@@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001626479165 1352464418 /nfs/dbraw/zinc/46/44/18/1352464418.db2.gz DGMNJHXOGGGBDT-OAHLLOKOSA-N 1 0 349.450 2.214 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001655877155 1354188237 /nfs/dbraw/zinc/18/82/37/1354188237.db2.gz GNNXEFDPWUJBMU-MOPGFXCFSA-N 1 0 345.487 2.402 10 10 EECERO CN(CC[NH2+]Cc1ccns1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001664402971 1355156159 /nfs/dbraw/zinc/15/61/59/1355156159.db2.gz PFJYURLBTCEYBC-UHFFFAOYSA-N 1 0 346.416 2.167 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2ccc[nH]2)cc1C ZINC001666666786 1355562453 /nfs/dbraw/zinc/56/24/53/1355562453.db2.gz ICTKKHSCODKYOP-CQSZACIVSA-N 1 0 329.444 2.416 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C(C)C)CCOCC2)cc1C ZINC001699881120 1405548109 /nfs/dbraw/zinc/54/81/09/1405548109.db2.gz JPLHVMNRDGZWMJ-UHFFFAOYSA-N 1 0 334.460 2.415 10 10 EECERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817415347 784767566 /nfs/dbraw/zinc/76/75/66/784767566.db2.gz RLCSQKQEICQNBH-HNNXBMFYSA-N 1 0 346.431 2.153 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000844402919 789069906 /nfs/dbraw/zinc/06/99/06/789069906.db2.gz WSPYCNJOWBORIF-KRWDZBQOSA-N 1 0 333.476 2.463 10 10 EECERO COC(=O)/C=C\c1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000915212919 795730497 /nfs/dbraw/zinc/73/04/97/795730497.db2.gz RMIAJTSUHPZRAP-ALCCZGGFSA-N 1 0 333.388 2.311 10 10 EECERO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C[C@@H]2O1 ZINC000922877342 802097164 /nfs/dbraw/zinc/09/71/64/802097164.db2.gz ZIIPCFHOIQDDAD-XGWQRUHWSA-N 1 0 332.444 2.295 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2=CCOCC2)cc1C ZINC001496043517 1101973442 /nfs/dbraw/zinc/97/34/42/1101973442.db2.gz UTNUTYSEWQZMQA-OAHLLOKOSA-N 1 0 332.444 2.287 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@]1(F)CCOC1 ZINC001497442244 1102494474 /nfs/dbraw/zinc/49/44/74/1102494474.db2.gz DDWLEAHPWXUDJQ-GOSISDBHSA-N 1 0 338.423 2.070 10 10 EECERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001472330383 1110552260 /nfs/dbraw/zinc/55/22/60/1110552260.db2.gz FCSKXMWJSKXAOU-HZPDHXFCSA-N 1 0 332.444 2.362 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC=CO3)cc2F)CC1 ZINC001543070392 1124120030 /nfs/dbraw/zinc/12/00/30/1124120030.db2.gz KLHACRJKKRLJMO-SFHVURJKSA-N 1 0 347.434 2.277 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cncn2C)C(C)C)cc1C ZINC001568456518 1124520862 /nfs/dbraw/zinc/52/08/62/1124520862.db2.gz RNLAJJKWICOGMM-INIZCTEOSA-N 1 0 344.459 2.281 10 10 EECERO CCOc1cccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000093147334 237049355 /nfs/dbraw/zinc/04/93/55/237049355.db2.gz MJUMUUNQTQFVKX-GOSISDBHSA-N 1 0 347.503 2.393 10 10 EECERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(O)c1 ZINC000527956663 317293095 /nfs/dbraw/zinc/29/30/95/317293095.db2.gz QXYMCDTZECZMEE-OXQOHEQNSA-N 1 0 348.487 2.275 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000076020639 462787510 /nfs/dbraw/zinc/78/75/10/462787510.db2.gz HSHRVYKLPQFVTI-WMZOPIPTSA-N 1 0 346.383 2.096 10 10 EECERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000065578612 462801887 /nfs/dbraw/zinc/80/18/87/462801887.db2.gz XZFLZOQDBWYEJC-ZDUSSCGKSA-N 1 0 348.443 2.494 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O ZINC000248863655 464812543 /nfs/dbraw/zinc/81/25/43/464812543.db2.gz HCMQCCPVWMIDJP-IUODEOHRSA-N 1 0 340.851 2.207 10 10 EECERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c(O)c1C ZINC000368211178 466588697 /nfs/dbraw/zinc/58/86/97/466588697.db2.gz CEUVYVYPZORWEY-RHSMWYFYSA-N 1 0 332.444 2.440 10 10 EECERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000774688907 577411258 /nfs/dbraw/zinc/41/12/58/577411258.db2.gz LBWMFTXKBKRXGH-HUUCEWRRSA-N 1 0 337.416 2.252 10 10 EECERO COc1cc(C[NH2+][C@H](C)C2N=NC(=O)N2C)c(O)c(C(C)(C)C)c1 ZINC000895170116 684186740 /nfs/dbraw/zinc/18/67/40/684186740.db2.gz CIMYIENWQAEIPX-SNVBAGLBSA-N 1 0 334.420 2.383 10 10 EECERO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814815 684734609 /nfs/dbraw/zinc/73/46/09/684734609.db2.gz UZTVCCIOKIIJKK-IRXDYDNUSA-N 1 0 333.501 2.372 10 10 EECERO CC[C@@H](CNC(=O)c1cncnc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267799301 1180546972 /nfs/dbraw/zinc/54/69/72/1180546972.db2.gz KNMTZQRZLCQHSI-INIZCTEOSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2cnoc2)cc1C ZINC001485911013 1193636997 /nfs/dbraw/zinc/63/69/97/1193636997.db2.gz DKPVGIWTQBEJHA-AWEZNQCLSA-N 1 0 331.416 2.171 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CC(C)=C(C)C)cc1C ZINC001272495415 1190851665 /nfs/dbraw/zinc/85/16/65/1190851665.db2.gz CWELUVSMWFLQQO-KRWDZBQOSA-N 1 0 334.460 2.317 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865781374 1198373334 /nfs/dbraw/zinc/37/33/34/1198373334.db2.gz LDOBZNDHWIATRQ-LJQANCHMSA-N 1 0 346.471 2.199 10 10 EECERO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)c1cccnc1 ZINC000825940244 1199876224 /nfs/dbraw/zinc/87/62/24/1199876224.db2.gz QOKBUTDATUSRJW-CYBMUJFWSA-N 1 0 337.217 2.415 10 10 EECERO C[NH+]1CCC(n2cc(NC(=O)NCc3c(O)cccc3F)cn2)CC1 ZINC000923624227 1200935086 /nfs/dbraw/zinc/93/50/86/1200935086.db2.gz NQQQNDCYLAFWLS-UHFFFAOYSA-N 1 0 347.394 2.316 10 10 EECERO C[NH+](C)CCCNC(=S)NCc1cc(Br)ccc1O ZINC000795153580 1200978620 /nfs/dbraw/zinc/97/86/20/1200978620.db2.gz FVSPNIUGOWYZDL-UHFFFAOYSA-N 1 0 346.294 2.071 10 10 EECERO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000868750882 1201871653 /nfs/dbraw/zinc/87/16/53/1201871653.db2.gz XSZAFILWBBFTAN-KBXIAJHMSA-N 1 0 335.448 2.250 10 10 EECERO CCOc1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001275237726 1205288507 /nfs/dbraw/zinc/28/85/07/1205288507.db2.gz KJSVEXBRDPHLJC-ZDUSSCGKSA-N 1 0 347.415 2.298 10 10 EECERO C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000925314213 1206095197 /nfs/dbraw/zinc/09/51/97/1206095197.db2.gz RUEYSYBHSWYWGE-PVAVHDDUSA-N 1 0 347.459 2.175 10 10 EECERO CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1C[NH+]2CCC1CC2 ZINC000900663290 1234626465 /nfs/dbraw/zinc/62/64/65/1234626465.db2.gz UNQIZKVGDLVUCZ-LBPRGKRZSA-N 1 0 332.425 2.479 10 10 EECERO CCc1ocnc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491419220 1259054796 /nfs/dbraw/zinc/05/47/96/1259054796.db2.gz PAXCKCWBXQGQDW-CYBMUJFWSA-N 1 0 331.416 2.462 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[NH2+]CCCC3(C)C)C2)cc1 ZINC000851639156 1277696646 /nfs/dbraw/zinc/69/66/46/1277696646.db2.gz BVTBARFEEVHWJE-YOEHRIQHSA-N 1 0 331.460 2.168 10 10 EECERO Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c(O)c1O ZINC000856409943 1293517555 /nfs/dbraw/zinc/51/75/55/1293517555.db2.gz DWGBKIPSFCVEIM-CQSZACIVSA-N 1 0 348.443 2.122 10 10 EECERO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000856594603 1293577154 /nfs/dbraw/zinc/57/71/54/1293577154.db2.gz WETLWDYEUNDQCX-IBGZPJMESA-N 1 0 344.459 2.268 10 10 EECERO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000858542851 1294149504 /nfs/dbraw/zinc/14/95/04/1294149504.db2.gz YLDHHSIKVQJZFU-NSHDSACASA-N 1 0 342.823 2.074 10 10 EECERO C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000861566776 1295459389 /nfs/dbraw/zinc/45/93/89/1295459389.db2.gz REQKTTIIEMOSDK-VYDXJSESSA-N 1 0 346.475 2.024 10 10 EECERO C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C[NH2+]1 ZINC000861685450 1295504701 /nfs/dbraw/zinc/50/47/01/1295504701.db2.gz ODYUOSULHQQDNR-DJIMGWMZSA-N 1 0 347.459 2.223 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H]2CCOC2)cc1C ZINC001277622720 1304023451 /nfs/dbraw/zinc/02/34/51/1304023451.db2.gz QZBBOAYXSVPBOH-ROUUACIJSA-N 1 0 346.471 2.367 10 10 EECERO COc1cc(Br)cc(CN[C@H]2CCCC[NH2+]C2)c1O ZINC000841090341 1315473136 /nfs/dbraw/zinc/47/31/36/1315473136.db2.gz OEFIBDWAMBWVGM-LBPRGKRZSA-N 1 0 329.238 2.395 10 10 EECERO Fc1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843122891 1315848006 /nfs/dbraw/zinc/84/80/06/1315848006.db2.gz FSSJAIVNRKRVOL-LJQANCHMSA-N 1 0 333.451 2.238 10 10 EECERO COc1ccc(N2CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC001143190850 1315884158 /nfs/dbraw/zinc/88/41/58/1315884158.db2.gz JNRBSPBZOFVQEP-HNNXBMFYSA-N 1 0 333.476 2.368 10 10 EECERO C[NH+]1CCC2(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)CC1 ZINC001261883098 1322193320 /nfs/dbraw/zinc/19/33/20/1322193320.db2.gz AUFBNSBNAUFFSU-HYXAFXHYSA-N 1 0 330.428 2.445 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001282125819 1325628947 /nfs/dbraw/zinc/62/89/47/1325628947.db2.gz YWCKRXCLWPVKTC-CABCVRRESA-N 1 0 332.444 2.333 10 10 EECERO COC(=O)/C=C\c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001322152887 1333218568 /nfs/dbraw/zinc/21/85/68/1333218568.db2.gz JULXBTZLFAZPEY-DDJMYBDESA-N 1 0 345.399 2.456 10 10 EECERO COc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@@H]3C)CCOCC2)cc1C ZINC001327615931 1334322773 /nfs/dbraw/zinc/32/27/73/1334322773.db2.gz GSZUBYPSYLOURD-WMLDXEAASA-N 1 0 346.471 2.415 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC001329174034 1334600928 /nfs/dbraw/zinc/60/09/28/1334600928.db2.gz RQLMYVQDMJVOTN-QFBILLFUSA-N 1 0 333.451 2.235 10 10 EECERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1sccc1C(N)=O ZINC001655349863 1354170973 /nfs/dbraw/zinc/17/09/73/1354170973.db2.gz WNKHIRITSCARGC-VHSXEESVSA-N 1 0 333.413 2.230 10 10 EECERO CC[C@H](CNC(=O)c1cnn(C)c1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665760341 1355382928 /nfs/dbraw/zinc/38/29/28/1355382928.db2.gz QAFRRLVYABOWQQ-MRXNPFEDSA-N 1 0 344.459 2.344 10 10 EECERO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000919657384 770160562 /nfs/dbraw/zinc/16/05/62/770160562.db2.gz JPHJLPOYKUQOEU-SJORKVTESA-N 1 0 347.459 2.177 10 10 EECERO CCC[NH+]1CCC(CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819165307 785441870 /nfs/dbraw/zinc/44/18/70/785441870.db2.gz SYNJPGRPGMLEFX-UHFFFAOYSA-N 1 0 345.443 2.278 10 10 EECERO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708076579 786704032 /nfs/dbraw/zinc/70/40/32/786704032.db2.gz XLDSSBWDQBSVMU-MRVPVSSYSA-N 1 0 347.640 2.376 10 10 EECERO OC[C@]1(F)C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1c1ccccc1 ZINC000824635538 788250296 /nfs/dbraw/zinc/25/02/96/788250296.db2.gz HOWBGZIEQCXQBZ-HNAYVOBHSA-N 1 0 345.370 2.421 10 10 EECERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)C1 ZINC000825422021 788627920 /nfs/dbraw/zinc/62/79/20/788627920.db2.gz JJLVNJQKYWNWIO-LMMKCTJWSA-N 1 0 343.471 2.045 10 10 EECERO COC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000924005883 796333050 /nfs/dbraw/zinc/33/30/50/796333050.db2.gz GYJCOAXCTILYDM-OAHLLOKOSA-N 1 0 348.491 2.051 10 10 EECERO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000785583188 806516006 /nfs/dbraw/zinc/51/60/06/806516006.db2.gz LSPRCALASNKFMS-LBPRGKRZSA-N 1 0 345.237 2.024 10 10 EECERO OCC[C@]1(C[NH2+]Cc2c(O)cccc2Br)CCOC1 ZINC001118855387 797483600 /nfs/dbraw/zinc/48/36/00/797483600.db2.gz HATSIXNTHWHGEK-CQSZACIVSA-N 1 0 330.222 2.033 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000922725894 801740888 /nfs/dbraw/zinc/74/08/88/801740888.db2.gz OCNFQDKROCJDTL-CCKFTAQKSA-N 1 0 332.444 2.058 10 10 EECERO Cc1cc(Br)cc(C[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000789599199 808094360 /nfs/dbraw/zinc/09/43/60/808094360.db2.gz FUWPZSXNPREYQG-VIFPVBQESA-N 1 0 328.128 2.476 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000792935018 810077829 /nfs/dbraw/zinc/07/78/29/810077829.db2.gz CSBRVXRQWJMSIZ-PXNSSMCTSA-N 1 0 347.503 2.364 10 10 EECERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c(O)c1 ZINC000527956664 317293345 /nfs/dbraw/zinc/29/33/45/317293345.db2.gz QXYMCDTZECZMEE-UZLBHIALSA-N 1 0 348.487 2.275 10 10 EECERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026697 465278003 /nfs/dbraw/zinc/27/80/03/465278003.db2.gz BEBMEAXMDYAEFZ-LPHOPBHVSA-N 1 0 346.519 2.031 10 10 EECERO Cc1nccn1CCC[N@@H+](C)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097135214 463332186 /nfs/dbraw/zinc/33/21/86/463332186.db2.gz VUBWARKOHLZAJV-UHFFFAOYSA-N 1 0 343.383 2.231 10 10 EECERO COCCN1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000163364641 463582766 /nfs/dbraw/zinc/58/27/66/463582766.db2.gz OYHRWNAEKLBPQL-LJQANCHMSA-N 1 0 347.503 2.364 10 10 EECERO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)c1ccc(F)cc1F ZINC000170676669 463693171 /nfs/dbraw/zinc/69/31/71/463693171.db2.gz YIWGQBDTRBDNOL-UHFFFAOYSA-N 1 0 349.356 2.444 10 10 EECERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CC(F)(F)F ZINC000188638850 464331094 /nfs/dbraw/zinc/33/10/94/464331094.db2.gz PXRNRUNECJSVQJ-OAHLLOKOSA-N 1 0 332.366 2.268 10 10 EECERO CS(=O)(=O)NCC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000285201692 464485505 /nfs/dbraw/zinc/48/55/05/464485505.db2.gz WLGYBZMOWGHLLT-UHFFFAOYSA-N 1 0 348.468 2.307 10 10 EECERO OCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)Cc2ccccc2C1 ZINC000369378584 466729706 /nfs/dbraw/zinc/72/97/06/466729706.db2.gz SUGCCNWTSMXVFH-UHFFFAOYSA-N 1 0 338.451 2.143 10 10 EECERO F[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N(Cc2cncnc2)C1 ZINC000583623127 468729647 /nfs/dbraw/zinc/72/96/47/468729647.db2.gz UHDXMSZZPWDYNQ-ROUUACIJSA-N 1 0 342.418 2.114 10 10 EECERO CCN(C)c1ccc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)cc1 ZINC000773753893 577362781 /nfs/dbraw/zinc/36/27/81/577362781.db2.gz HXIBTXSYDJCOBN-UHFFFAOYSA-N 1 0 326.444 2.278 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000775374844 577436119 /nfs/dbraw/zinc/43/61/19/577436119.db2.gz GMHXTBCDAPIBGX-ZDUSSCGKSA-N 1 0 339.399 2.270 10 10 EECERO CC[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1O ZINC000775551010 577439310 /nfs/dbraw/zinc/43/93/10/577439310.db2.gz GAPHALYEOUIGMQ-HOTGVXAUSA-N 1 0 342.443 2.358 10 10 EECERO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000777219798 577475223 /nfs/dbraw/zinc/47/52/23/577475223.db2.gz NLXJRIXCLKZVHR-HUUCEWRRSA-N 1 0 329.824 2.264 10 10 EECERO CC[N@@H+]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804797760 675636050 /nfs/dbraw/zinc/63/60/50/675636050.db2.gz POIGNVFFJXYGTH-CFNZNRNTSA-N 1 0 333.388 2.311 10 10 EECERO CCN(CC)c1ccc(CN(C)C(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1 ZINC000895492946 684619801 /nfs/dbraw/zinc/61/98/01/684619801.db2.gz CTLJBNVTMXNMMV-IBGZPJMESA-N 1 0 345.487 2.212 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1OC ZINC000895678304 684679243 /nfs/dbraw/zinc/67/92/43/684679243.db2.gz SRNXKXBZRUZHEL-NSHDSACASA-N 1 0 345.264 2.058 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000898274975 691923403 /nfs/dbraw/zinc/92/34/03/691923403.db2.gz IOJDJWCSBOUPSE-IBGZPJMESA-N 1 0 331.460 2.076 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cncc(F)c2)cc1C ZINC001266931288 1177834423 /nfs/dbraw/zinc/83/44/23/1177834423.db2.gz KZZGZLSSOJULCA-CYBMUJFWSA-N 1 0 331.391 2.446 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cn2nccc2C)cc1C ZINC001268004747 1180958421 /nfs/dbraw/zinc/95/84/21/1180958421.db2.gz HTWIFERZSWQXII-CQSZACIVSA-N 1 0 344.459 2.051 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001482740930 1187700221 /nfs/dbraw/zinc/70/02/21/1187700221.db2.gz FIAUDLHAUQJSEW-YOEHRIQHSA-N 1 0 334.460 2.007 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cccnn2)cc1C ZINC001482886014 1187802084 /nfs/dbraw/zinc/80/20/84/1187802084.db2.gz WXCYQBSIZPJONV-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cnn(C)c2C)cc1C ZINC001482983618 1187937351 /nfs/dbraw/zinc/93/73/51/1187937351.db2.gz FVTQDPXJAMJHEJ-WAYWQWQTSA-N 1 0 342.443 2.121 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2ccnc2C)cc1C ZINC001485223781 1191702937 /nfs/dbraw/zinc/70/29/37/1191702937.db2.gz BORGLJOZBIASRS-LSDHHAIUSA-N 1 0 344.459 2.192 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC[N@@H+]1C ZINC000866458783 1201522950 /nfs/dbraw/zinc/52/29/50/1201522950.db2.gz ANUTVTVSOSNZBA-DOTOQJQBSA-N 1 0 349.450 2.213 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2cnc(C)o2)cc1C ZINC001274088344 1204364268 /nfs/dbraw/zinc/36/42/68/1204364268.db2.gz GPUARXRSDYJROL-SNAWJCMRSA-N 1 0 343.427 2.305 10 10 EECERO Oc1ccccc1C[N@H+](C[C@@H](O)C1(O)CCCC1)C[C@H]1CCCO1 ZINC000929970123 1206523467 /nfs/dbraw/zinc/52/34/67/1206523467.db2.gz IPCNCUMUSVRDKF-SJLPKXTDSA-N 1 0 335.444 2.039 10 10 EECERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(Br)cc1O ZINC000903261255 1240128620 /nfs/dbraw/zinc/12/86/20/1240128620.db2.gz VBBOBOIECVZDGE-FKTRJACZSA-N 1 0 327.222 2.459 10 10 EECERO COC(=O)c1occc1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000826845188 1248089490 /nfs/dbraw/zinc/08/94/90/1248089490.db2.gz HCCZOVPAWUPFHT-AWEZNQCLSA-N 1 0 330.384 2.443 10 10 EECERO Oc1ccc(F)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000826942567 1248173117 /nfs/dbraw/zinc/17/31/17/1248173117.db2.gz QVTMDYNYHXGZJA-SFHVURJKSA-N 1 0 330.403 2.388 10 10 EECERO CCc1nnsc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491516606 1259169768 /nfs/dbraw/zinc/16/97/68/1259169768.db2.gz XEAVYSDSBLQSOZ-LBPRGKRZSA-N 1 0 348.472 2.326 10 10 EECERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000850384912 1277208877 /nfs/dbraw/zinc/20/88/77/1277208877.db2.gz SUURVXKHKKIWRE-HIFRSBDPSA-N 1 0 329.400 2.355 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3CC[NH3+])C2)cc1 ZINC000852900905 1292228183 /nfs/dbraw/zinc/22/81/83/1292228183.db2.gz VEOKAYVOSCQZDP-MRXNPFEDSA-N 1 0 339.439 2.205 10 10 EECERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000853092832 1292278793 /nfs/dbraw/zinc/27/87/93/1292278793.db2.gz OUFYCYYSAIZRNG-LJQANCHMSA-N 1 0 342.439 2.355 10 10 EECERO Cc1cccc(COCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000856994421 1293692687 /nfs/dbraw/zinc/69/26/87/1293692687.db2.gz MNXLNZVPNQVIDV-LJQANCHMSA-N 1 0 341.455 2.394 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1F ZINC000858186180 1294036918 /nfs/dbraw/zinc/03/69/18/1294036918.db2.gz STJXMQNTNWDTTD-LBPRGKRZSA-N 1 0 325.359 2.104 10 10 EECERO CN(C)c1cc(F)c(CN2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000862400351 1295828490 /nfs/dbraw/zinc/82/84/90/1295828490.db2.gz VOKJWJGDKYZAHJ-UHFFFAOYSA-N 1 0 339.430 2.327 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@]34C[C@H]3COC4(C)C)cc2F)CC1 ZINC001118860386 1308952714 /nfs/dbraw/zinc/95/27/14/1308952714.db2.gz NHBLCQBJTBCGRT-HNAYVOBHSA-N 1 0 333.451 2.235 10 10 EECERO COC(=O)c1c(C[NH2+]C[C@@](C)(O)C2CC2)c2cc(F)ccc2n1C ZINC001119510471 1309095823 /nfs/dbraw/zinc/09/58/23/1309095823.db2.gz SUCKWUNZMZUQFC-GOSISDBHSA-N 1 0 334.391 2.355 10 10 EECERO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840187364 1315322770 /nfs/dbraw/zinc/32/27/70/1315322770.db2.gz VTLLWWTYEXZXAZ-ZDUSSCGKSA-N 1 0 332.425 2.278 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cnnc(C)c2)cc1C ZINC001317390481 1332211524 /nfs/dbraw/zinc/21/15/24/1332211524.db2.gz PHIKTTKKKJDXMQ-CQSZACIVSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2=CCCCCC2)cc1C ZINC001320214699 1332849118 /nfs/dbraw/zinc/84/91/18/1332849118.db2.gz OPWSRCJOVRCWBT-GOSISDBHSA-N 1 0 346.471 2.461 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc(C)nn2)cc1C ZINC001320421809 1332879631 /nfs/dbraw/zinc/87/96/31/1332879631.db2.gz GJFRBVXBKNEZMU-CQSZACIVSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ncccn2)cc1C ZINC001320581541 1332914984 /nfs/dbraw/zinc/91/49/84/1332914984.db2.gz KVFISKFHOVCYEU-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H](O)CCC3(O)CCC3)CC2)cc1 ZINC001334624704 1336276938 /nfs/dbraw/zinc/27/69/38/1336276938.db2.gz FOKQNNNEFIRRNI-SFHVURJKSA-N 1 0 348.487 2.263 10 10 EECERO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)c1 ZINC001610392164 1352215290 /nfs/dbraw/zinc/21/52/90/1352215290.db2.gz GJSMIGKOJFHOEW-KGLIPLIRSA-N 1 0 341.411 2.500 10 10 EECERO CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000848558263 1338720844 /nfs/dbraw/zinc/72/08/44/1338720844.db2.gz LAAJPPKSRZIQQW-GUYCJALGSA-N 1 0 342.867 2.225 10 10 EECERO CO[C@@](C)(CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000848921418 1338807199 /nfs/dbraw/zinc/80/71/99/1338807199.db2.gz ATCHAOPGRWASIC-LJQANCHMSA-N 1 0 331.412 2.458 10 10 EECERO Cc1nnc(N(C)Cc2ccccc2O)n1CCC[NH+]1CCCC1 ZINC001612537255 1352308454 /nfs/dbraw/zinc/30/84/54/1352308454.db2.gz AHTWWHVFSBDUHN-UHFFFAOYSA-N 1 0 329.448 2.414 10 10 EECERO COCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001661693841 1354673343 /nfs/dbraw/zinc/67/33/43/1354673343.db2.gz ATRMZVYDTLBGHV-GASCZTMLSA-N 1 0 347.419 2.126 10 10 EECERO CCn1cc(CC(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001662384407 1354790044 /nfs/dbraw/zinc/79/00/44/1354790044.db2.gz XLVLOUSGXXJLMG-HNNXBMFYSA-N 1 0 344.459 2.057 10 10 EECERO CCOC(=O)C1(O)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816514727 784089632 /nfs/dbraw/zinc/08/96/32/784089632.db2.gz GAMIFBJILWWYFM-UHFFFAOYSA-N 1 0 329.396 2.435 10 10 EECERO CCOc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c(O)c1 ZINC000824517025 788198812 /nfs/dbraw/zinc/19/88/12/788198812.db2.gz OTAZYFZXBVBWRO-AWEZNQCLSA-N 1 0 347.436 2.452 10 10 EECERO O=C1CCCN1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825059379 788423985 /nfs/dbraw/zinc/42/39/85/788423985.db2.gz XWSKCQZCTNPPQJ-UHFFFAOYSA-N 1 0 327.222 2.257 10 10 EECERO C[N@@H+]1CCC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805184576 811174859 /nfs/dbraw/zinc/17/48/59/811174859.db2.gz OXZULUBILXQHEG-LBPRGKRZSA-N 1 0 342.237 2.048 10 10 EECERO C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480122677 1099686173 /nfs/dbraw/zinc/68/61/73/1099686173.db2.gz RYBHZQNVSDDMID-RISCZKNCSA-N 1 0 335.383 2.401 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001497283544 1102250079 /nfs/dbraw/zinc/25/00/79/1102250079.db2.gz BEENYWPDLVYBAM-CYBMUJFWSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC23CCOCC3)cc1C ZINC001497999155 1106762309 /nfs/dbraw/zinc/76/23/09/1106762309.db2.gz BWPXDTLFVXXVRM-WBVHZDCISA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)n2cccn2)cc1C ZINC001480749744 1107048538 /nfs/dbraw/zinc/04/85/38/1107048538.db2.gz MDXUHOWZFVDAII-HZPDHXFCSA-N 1 0 344.459 2.446 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001464109763 1110387814 /nfs/dbraw/zinc/38/78/14/1110387814.db2.gz ZTMUFTNAZCZWKD-KRWDZBQOSA-N 1 0 340.423 2.421 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC001471871573 1110534192 /nfs/dbraw/zinc/53/41/92/1110534192.db2.gz SFBKPMCOQPVMMM-UONOGXRCSA-N 1 0 347.444 2.159 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001507185947 1115148003 /nfs/dbraw/zinc/14/80/03/1115148003.db2.gz QZNFSKXZNCGWDQ-IMBTUZDBSA-N 1 0 346.471 2.007 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cnns1 ZINC001568726873 1124743928 /nfs/dbraw/zinc/74/39/28/1124743928.db2.gz RQUUWZOEZGFCIE-UHFFFAOYSA-N 1 0 334.445 2.107 10 10 EECERO COc1c(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)c(C)nn1C ZINC000092380769 533416228 /nfs/dbraw/zinc/41/62/28/533416228.db2.gz LVALHRNJRCSPES-UHFFFAOYSA-N 1 0 344.459 2.458 10 10 EECERO COc1ccc(O)c(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189903481 464561363 /nfs/dbraw/zinc/56/13/63/464561363.db2.gz WBUAJUULCQBMIK-UHFFFAOYSA-N 1 0 328.416 2.324 10 10 EECERO COC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000299677513 465853816 /nfs/dbraw/zinc/85/38/16/465853816.db2.gz MTJIHUYFPSKTJU-IBGZPJMESA-N 1 0 341.455 2.346 10 10 EECERO COC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375756029 466873669 /nfs/dbraw/zinc/87/36/69/466873669.db2.gz HPJCTYXBXHWZCS-IBGZPJMESA-N 1 0 326.440 2.346 10 10 EECERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373719444 466898553 /nfs/dbraw/zinc/89/85/53/466898553.db2.gz LHAZHWXCNPYMCB-SNUQEOBHSA-N 1 0 335.400 2.279 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000726707960 576290153 /nfs/dbraw/zinc/29/01/53/576290153.db2.gz IHOWZNZDHFLJAS-INIZCTEOSA-N 1 0 346.475 2.057 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@@H]3C)cc2F)CC1 ZINC000730119094 576718843 /nfs/dbraw/zinc/71/88/43/576718843.db2.gz QGSFYUPHJARASI-GOEBONIOSA-N 1 0 348.466 2.423 10 10 EECERO C[C@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)c2c1c(F)ccc2O ZINC000756686030 577848523 /nfs/dbraw/zinc/84/85/23/577848523.db2.gz HHDSSTVQIZGOTD-AAEUAGOBSA-N 1 0 342.436 2.095 10 10 EECERO COc1cc(C)cc(CNCc2nn(C)cc2Br)c1O ZINC000894898844 683356613 /nfs/dbraw/zinc/35/66/13/683356613.db2.gz MDPLNHNRJCZWQX-UHFFFAOYSA-N 1 0 340.221 2.495 10 10 EECERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@H]21 ZINC000899177363 693647802 /nfs/dbraw/zinc/64/78/02/693647802.db2.gz BBOGNGGUYXKJED-ZYHUDNBSSA-N 1 0 332.425 2.479 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)Cc2cnoc2)C2CC2)cc1C ZINC001670512154 1176853115 /nfs/dbraw/zinc/85/31/15/1176853115.db2.gz GWSZVJFGVYDDKJ-KRWDZBQOSA-N 1 0 343.427 2.219 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001691307505 1177876171 /nfs/dbraw/zinc/87/61/71/1177876171.db2.gz SNWOWKNYIKYIRH-KBPBESRZSA-N 1 0 326.387 2.453 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2nccc(C)n2)cc1C ZINC001267980986 1180914768 /nfs/dbraw/zinc/91/47/68/1180914768.db2.gz YFQCZNQFXVJLFQ-CYBMUJFWSA-N 1 0 342.443 2.258 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001482862681 1187775848 /nfs/dbraw/zinc/77/58/48/1187775848.db2.gz BCNUQIOETILCNS-AEFFLSMTSA-N 1 0 347.503 2.472 10 10 EECERO CCN(Cc1cc(Br)ccc1O)C(=O)NC/C=C\C[NH3+] ZINC000841995453 1188218075 /nfs/dbraw/zinc/21/80/75/1188218075.db2.gz IKBZPRNPSNJROB-ARJAWSKDSA-N 1 0 342.237 2.201 10 10 EECERO C[C@H](O)CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483424096 1190471120 /nfs/dbraw/zinc/47/11/20/1190471120.db2.gz NGXUZGJVIXKORJ-STQMWFEESA-N 1 0 349.435 2.060 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CO[C@H](C)C2)cc1C ZINC001483476888 1190498619 /nfs/dbraw/zinc/49/86/19/1190498619.db2.gz KVXRCQBTNJSGFF-WBVHZDCISA-N 1 0 334.460 2.367 10 10 EECERO C[NH+](C)Cc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867690511 1201660070 /nfs/dbraw/zinc/66/00/70/1201660070.db2.gz GHWHLFMOQYGQPE-UHFFFAOYSA-N 1 0 332.425 2.158 10 10 EECERO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000931621269 1207426991 /nfs/dbraw/zinc/42/69/91/1207426991.db2.gz BRMFRLHBQYYKRE-QUCCMNQESA-N 1 0 344.455 2.441 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccon1 ZINC000092126615 1214398129 /nfs/dbraw/zinc/39/81/29/1214398129.db2.gz UOLRVDZSVKOBDO-UHFFFAOYSA-N 1 0 340.427 2.137 10 10 EECERO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000903364848 1240318375 /nfs/dbraw/zinc/31/83/75/1240318375.db2.gz COAWWXOSYSLVMA-HIFRSBDPSA-N 1 0 347.864 2.290 10 10 EECERO COc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c1O ZINC000827094814 1249869229 /nfs/dbraw/zinc/86/92/29/1249869229.db2.gz VYYFBGMSERRPPF-AUUYWEPGSA-N 1 0 349.427 2.191 10 10 EECERO CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Cl)ccc1O ZINC000850510753 1277254889 /nfs/dbraw/zinc/25/48/89/1277254889.db2.gz XIGCHKYWYCJCOG-GOEBONIOSA-N 1 0 329.824 2.254 10 10 EECERO CN(C)c1ccc([C@@H](CNc2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001187841305 1279667686 /nfs/dbraw/zinc/66/76/86/1279667686.db2.gz JWVHVDPFMBXXHC-CQSZACIVSA-N 1 0 332.408 2.109 10 10 EECERO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000852784251 1292196660 /nfs/dbraw/zinc/19/66/60/1292196660.db2.gz HIKJNRKRWMRAEV-IEBWSBKVSA-N 1 0 345.487 2.260 10 10 EECERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853780628 1292450564 /nfs/dbraw/zinc/45/05/64/1292450564.db2.gz CCBYGXMXEWBJIT-NVXWUHKLSA-N 1 0 346.475 2.057 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000858307057 1294076722 /nfs/dbraw/zinc/07/67/22/1294076722.db2.gz ZROJAPNVRYRXIN-FQEVSTJZSA-N 1 0 340.471 2.138 10 10 EECERO CCOCc1cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)ccc1OC ZINC000858341458 1294089229 /nfs/dbraw/zinc/08/92/29/1294089229.db2.gz ATGXANFCCGGVQJ-KRWDZBQOSA-N 1 0 332.444 2.475 10 10 EECERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000858540657 1294148450 /nfs/dbraw/zinc/14/84/50/1294148450.db2.gz KWPGWAINHRLQTB-ZDUSSCGKSA-N 1 0 348.443 2.478 10 10 EECERO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c(Cl)c1 ZINC000840942759 1315441578 /nfs/dbraw/zinc/44/15/78/1315441578.db2.gz CNPPKZMJUINHDP-FZMZJTMJSA-N 1 0 346.880 2.162 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841823652 1315618228 /nfs/dbraw/zinc/61/82/28/1315618228.db2.gz FUXPMKYRPITOQM-IBGZPJMESA-N 1 0 330.476 2.346 10 10 EECERO O=C(c1cccc(O)c1O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001142659222 1315689835 /nfs/dbraw/zinc/68/98/35/1315689835.db2.gz NFTLVYGMSKLMAB-WBVHZDCISA-N 1 0 338.407 2.444 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ccccc2)cc1C ZINC001278723894 1317868365 /nfs/dbraw/zinc/86/83/65/1317868365.db2.gz YFWHDDBJTZIPHZ-SFHVURJKSA-N 1 0 342.439 2.226 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCC[C@H]3[NH3+])C2)cc1 ZINC001327960950 1334370931 /nfs/dbraw/zinc/37/09/31/1334370931.db2.gz HOXKTGARVNOATF-FHLIZLRMSA-N 1 0 331.460 2.155 10 10 EECERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CC1=O ZINC001348085187 1337536229 /nfs/dbraw/zinc/53/62/29/1337536229.db2.gz FNGMTGPVBIKKGC-NRUUGDAUSA-N 1 0 339.233 2.254 10 10 EECERO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1F ZINC001626215187 1352321405 /nfs/dbraw/zinc/32/14/05/1352321405.db2.gz FOQDABBTHZEAPZ-UHFFFAOYSA-N 1 0 334.347 2.430 10 10 EECERO CCn1ccc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001667008489 1355631921 /nfs/dbraw/zinc/63/19/21/1355631921.db2.gz VEIILNIIFSOBOA-HNNXBMFYSA-N 1 0 344.459 2.470 10 10 EECERO CC[C@@H](OC)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001675722220 1357042480 /nfs/dbraw/zinc/04/24/80/1357042480.db2.gz LIQBYMMHLRYZNY-BRWVUGGUSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](O)C(C)C)C2CC2)cc1C ZINC001699583283 1405405969 /nfs/dbraw/zinc/40/59/69/1405405969.db2.gz KZNFYEDOQFWDPF-SJLPKXTDSA-N 1 0 334.460 2.005 10 10 EECERO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000828018855 757625091 /nfs/dbraw/zinc/62/50/91/757625091.db2.gz NPFLCZNAJSTRSB-UHFFFAOYSA-N 1 0 329.400 2.439 10 10 EECERO COc1ccc(N2CCC(NC(=O)N(C)CCC[NH+](C)C)CC2)cc1 ZINC000185918934 784253386 /nfs/dbraw/zinc/25/33/86/784253386.db2.gz VKNKPULYXFGDLH-UHFFFAOYSA-N 1 0 348.491 2.257 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@H]3CC[C@@H]3SC)CC2)cc1 ZINC000822455910 787214899 /nfs/dbraw/zinc/21/48/99/787214899.db2.gz MMOKBOXEZWXNCS-ROUUACIJSA-N 1 0 335.517 2.301 10 10 EECERO COc1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000824516729 788198737 /nfs/dbraw/zinc/19/87/37/788198737.db2.gz NMDPZTKXUHOUDZ-ZDUSSCGKSA-N 1 0 333.409 2.062 10 10 EECERO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844378304 789073988 /nfs/dbraw/zinc/07/39/88/789073988.db2.gz KPZFGUNQYNBPPB-CRAIPNDOSA-N 1 0 335.492 2.098 10 10 EECERO CCON(C)C(=O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000846066537 790051221 /nfs/dbraw/zinc/05/12/21/790051221.db2.gz ZSHXRZQUCKZWQA-UHFFFAOYSA-N 1 0 344.411 2.471 10 10 EECERO C[C@@H](O)C[NH+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792806772 810016595 /nfs/dbraw/zinc/01/65/95/810016595.db2.gz VRJMGDZRYAIDOB-CYBMUJFWSA-N 1 0 345.409 2.270 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1CCOCC1 ZINC001497345784 1102362743 /nfs/dbraw/zinc/36/27/43/1102362743.db2.gz UJEHGFBPLCBXSI-UHFFFAOYSA-N 1 0 334.460 2.368 10 10 EECERO CCc1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001498015369 1106785299 /nfs/dbraw/zinc/78/52/99/1106785299.db2.gz IAVVJHFMDHIVSI-ZDUSSCGKSA-N 1 0 330.432 2.197 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)n2cccn2)cc1C ZINC001480749742 1107047463 /nfs/dbraw/zinc/04/74/63/1107047463.db2.gz MDXUHOWZFVDAII-HOTGVXAUSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)CC2(O)CCC2)cc1C ZINC001498546799 1107698881 /nfs/dbraw/zinc/69/88/81/1107698881.db2.gz YXEMVMURVXHSAM-UHFFFAOYSA-N 1 0 334.460 2.247 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2snnc2C)cc1C ZINC001568605275 1124627796 /nfs/dbraw/zinc/62/77/96/1124627796.db2.gz HMDYWCGPRFRCRQ-GFCCVEGCSA-N 1 0 348.472 2.462 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001569018924 1125045235 /nfs/dbraw/zinc/04/52/35/1125045235.db2.gz WSUSQEHFAIEMBP-IIVZCXTMSA-N 1 0 332.444 2.165 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000076020635 462786893 /nfs/dbraw/zinc/78/68/93/462786893.db2.gz HSHRVYKLPQFVTI-SJLPKXTDSA-N 1 0 346.383 2.096 10 10 EECERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1O ZINC000185994393 463919146 /nfs/dbraw/zinc/91/91/46/463919146.db2.gz UOIALJCEKMAQMX-MWLCHTKSSA-N 1 0 337.221 2.412 10 10 EECERO COc1cccc(C[NH2+]Cc2cc(OC)c3c(c2)OCCO3)c1O ZINC000265090915 464509348 /nfs/dbraw/zinc/50/93/48/464509348.db2.gz NGHVOCBHCXFKEO-UHFFFAOYSA-N 1 0 331.368 2.470 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000246014248 464534598 /nfs/dbraw/zinc/53/45/98/464534598.db2.gz ZBIUAWSJNQONGS-BFYDXBDKSA-N 1 0 334.460 2.474 10 10 EECERO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530213260 467963863 /nfs/dbraw/zinc/96/38/63/467963863.db2.gz OFJOAQLKVIUPKM-MRXNPFEDSA-N 1 0 343.427 2.173 10 10 EECERO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000319711616 681864721 /nfs/dbraw/zinc/86/47/21/681864721.db2.gz OFXKXJCISXXTMJ-GFCCVEGCSA-N 1 0 332.425 2.120 10 10 EECERO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000327728187 682242479 /nfs/dbraw/zinc/24/24/79/682242479.db2.gz GJALODYHUQAZGJ-SFHVURJKSA-N 1 0 345.487 2.260 10 10 EECERO CC[C@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(=O)OC ZINC000895142139 684100007 /nfs/dbraw/zinc/10/00/07/684100007.db2.gz ZKWIWRRUVLPKEI-OAHLLOKOSA-N 1 0 331.416 2.229 10 10 EECERO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895770462 684717707 /nfs/dbraw/zinc/71/77/07/684717707.db2.gz GBZKWFQURJGXOP-IBGZPJMESA-N 1 0 345.512 2.342 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000898581224 693383074 /nfs/dbraw/zinc/38/30/74/693383074.db2.gz VHPMYWARXKTNQU-RHSMWYFYSA-N 1 0 331.460 2.263 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@@H](C)CO3)CC2)cc1C ZINC001269455642 1184279465 /nfs/dbraw/zinc/27/94/65/1184279465.db2.gz LPPWPOYECLIAMA-CXAGYDPISA-N 1 0 332.444 2.167 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(F)cn2)cc1C ZINC001483123850 1188583109 /nfs/dbraw/zinc/58/31/09/1188583109.db2.gz ZFVVNEPYQWYSIW-CYBMUJFWSA-N 1 0 331.391 2.446 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2ccnc2)cc1C ZINC001485177267 1191677587 /nfs/dbraw/zinc/67/75/87/1191677587.db2.gz NUPPZCJXBWAWSA-HOTGVXAUSA-N 1 0 344.459 2.273 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209233 1201465320 /nfs/dbraw/zinc/46/53/20/1201465320.db2.gz ZRQXZPVOVIWWMJ-WYVSAIIBSA-N 1 0 345.399 2.311 10 10 EECERO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)cc1 ZINC000866570976 1201550749 /nfs/dbraw/zinc/55/07/49/1201550749.db2.gz UCBXKSWRLCCNFE-ZDUSSCGKSA-N 1 0 327.494 2.108 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccnc(C)n2)cc1C ZINC001274590278 1205089434 /nfs/dbraw/zinc/08/94/34/1205089434.db2.gz XOSGNZYAMSADIS-PLNGDYQASA-N 1 0 340.427 2.178 10 10 EECERO CN(C)c1ccc(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1F ZINC000827901036 1248965491 /nfs/dbraw/zinc/96/54/91/1248965491.db2.gz IPLVFIDFJPWJNH-OAHLLOKOSA-N 1 0 333.382 2.390 10 10 EECERO CC(=O)c1cc(Cl)cc(CN(C)C2(C[NH3+])CCOCC2)c1O ZINC000903805392 1242027678 /nfs/dbraw/zinc/02/76/78/1242027678.db2.gz NLBLRZKRJVBAIR-UHFFFAOYSA-N 1 0 326.824 2.188 10 10 EECERO O=C1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)N1 ZINC000827370219 1247963722 /nfs/dbraw/zinc/96/37/22/1247963722.db2.gz BRGYJKPBQHRAGA-INIZCTEOSA-N 1 0 326.396 2.339 10 10 EECERO CO[C@@]1(CO)CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000826952659 1248223351 /nfs/dbraw/zinc/22/33/51/1248223351.db2.gz ONVCRSTWNSFEMU-HNNXBMFYSA-N 1 0 344.249 2.436 10 10 EECERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000827544654 1248407321 /nfs/dbraw/zinc/40/73/21/1248407321.db2.gz HHYHIKBVKZZCBG-MJRGOJFPSA-N 1 0 330.476 2.454 10 10 EECERO CC[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850013620 1276991961 /nfs/dbraw/zinc/99/19/61/1276991961.db2.gz KIIWNEFZIAZOSD-HKUYNNGSSA-N 1 0 347.503 2.364 10 10 EECERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000850384913 1277209137 /nfs/dbraw/zinc/20/91/37/1277209137.db2.gz SUURVXKHKKIWRE-UKRRQHHQSA-N 1 0 329.400 2.355 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)c1 ZINC000850495808 1277247359 /nfs/dbraw/zinc/24/73/59/1277247359.db2.gz IZDVWUPFIZEJNI-FPVGNUTFSA-N 1 0 325.352 2.362 10 10 EECERO CCO[C@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001489376424 1290544647 /nfs/dbraw/zinc/54/46/47/1290544647.db2.gz RWLTWDCRFKPTLA-ODIFPOPNSA-N 1 0 334.460 2.413 10 10 EECERO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC(=O)N1 ZINC000840977567 1315450301 /nfs/dbraw/zinc/45/03/01/1315450301.db2.gz WHDYFVAQRGOXBV-KRWDZBQOSA-N 1 0 331.460 2.012 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000841759426 1315609271 /nfs/dbraw/zinc/60/92/71/1315609271.db2.gz FVFRZRYNKSVTGN-SFHVURJKSA-N 1 0 334.439 2.177 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000841758235 1315609411 /nfs/dbraw/zinc/60/94/11/1315609411.db2.gz ACQHVXPTYSIBGN-GASCZTMLSA-N 1 0 334.439 2.033 10 10 EECERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850612 1315623140 /nfs/dbraw/zinc/62/31/40/1315623140.db2.gz YHBWFSVGJXWIKT-SMDDNHRTSA-N 1 0 330.457 2.044 10 10 EECERO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n(-c2ccccn2)n1 ZINC000842672234 1315750909 /nfs/dbraw/zinc/75/09/09/1315750909.db2.gz YQCYSDKTYXMKFG-UHFFFAOYSA-N 1 0 349.438 2.394 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCCOC2)C2CC2)cc1C ZINC001276554168 1324312307 /nfs/dbraw/zinc/31/23/07/1324312307.db2.gz XKRLZFNFESHCMB-MSOLQXFVSA-N 1 0 346.471 2.415 10 10 EECERO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC001325318643 1333862747 /nfs/dbraw/zinc/86/27/47/1333862747.db2.gz IXJMQHAVPIEKNS-CHYADLBTSA-N 1 0 325.460 2.368 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cncn2C)cc1C ZINC001328361656 1334450063 /nfs/dbraw/zinc/45/00/63/1334450063.db2.gz QAMNJUULUCAIJK-AWEZNQCLSA-N 1 0 330.432 2.035 10 10 EECERO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccccc1O ZINC001560074716 1342506848 /nfs/dbraw/zinc/50/68/48/1342506848.db2.gz CCSYGDAABQECFS-SNVBAGLBSA-N 1 0 333.413 2.232 10 10 EECERO COCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001569526409 1342892892 /nfs/dbraw/zinc/89/28/92/1342892892.db2.gz GAQWSBBPJNVONB-IUODEOHRSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cncc(F)c2)cc1C ZINC001663882373 1355047739 /nfs/dbraw/zinc/04/77/39/1355047739.db2.gz DZXLWMGKMRHXGX-UHFFFAOYSA-N 1 0 331.391 2.400 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)n2cccn2)cc1C ZINC001667983146 1355840735 /nfs/dbraw/zinc/84/07/35/1355840735.db2.gz NWUPWJVJQHBICY-HZPDHXFCSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2[nH]cnc2C)cc1C ZINC001668287561 1355915769 /nfs/dbraw/zinc/91/57/69/1355915769.db2.gz AFVUIEFNVNSYCU-AWEZNQCLSA-N 1 0 344.459 2.262 10 10 EECERO CCn1cnc(C(=O)N(C)CCC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001699545385 1405379275 /nfs/dbraw/zinc/37/92/75/1405379275.db2.gz OXGRZDGUZYINLE-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC34CC4)cc2F)CC1 ZINC000817433159 784782363 /nfs/dbraw/zinc/78/23/63/784782363.db2.gz ZJYYAPPRXFHXMQ-OAHLLOKOSA-N 1 0 331.435 2.384 10 10 EECERO COc1ccc(O)c(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000822526381 787234257 /nfs/dbraw/zinc/23/42/57/787234257.db2.gz TXBXJYCIWWWIEK-GOSISDBHSA-N 1 0 335.444 2.448 10 10 EECERO O=C(COc1ccc(N2CCCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000152004442 794424675 /nfs/dbraw/zinc/42/46/75/794424675.db2.gz GKSOLDYBWGICEB-UHFFFAOYSA-N 1 0 343.471 2.409 10 10 EECERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1c(O)cccc1Br ZINC000714327038 794920524 /nfs/dbraw/zinc/92/05/24/794920524.db2.gz IAGOPYMIXYYYEV-JTQLQIEISA-N 1 0 348.262 2.212 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C)cc2=O ZINC000789450779 808015260 /nfs/dbraw/zinc/01/52/60/808015260.db2.gz HFDKRWVFMSSLGG-UPJWGTAASA-N 1 0 346.431 2.478 10 10 EECERO CCOCc1cc(C[NH2+]C[C@H](CO)c2cccnc2)ccc1OC ZINC000808430151 812650592 /nfs/dbraw/zinc/65/05/92/812650592.db2.gz CNYXAUBARVUFKF-GOSISDBHSA-N 1 0 330.428 2.492 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC001445726898 1091545336 /nfs/dbraw/zinc/54/53/36/1091545336.db2.gz BJMMYDKHXCVTLJ-KRWDZBQOSA-N 1 0 345.487 2.464 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cc(C)n[nH]2)C2CC2)cc1C ZINC001480006896 1099477122 /nfs/dbraw/zinc/47/71/22/1099477122.db2.gz RTMUQAPGILUDRD-KRWDZBQOSA-N 1 0 342.443 2.333 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2c(C)n[nH]c2C)cc1C ZINC001480589171 1100438430 /nfs/dbraw/zinc/43/84/30/1100438430.db2.gz WWTXPBWKJAGDKV-ZDUSSCGKSA-N 1 0 344.459 2.181 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cccc(F)c2)cc1C ZINC001496928690 1101732230 /nfs/dbraw/zinc/73/22/30/1101732230.db2.gz MSAKWVCQZGAORK-KRWDZBQOSA-N 1 0 346.402 2.023 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC23CCOCC3)cc1C ZINC001497999154 1106761372 /nfs/dbraw/zinc/76/13/72/1106761372.db2.gz BWPXDTLFVXXVRM-NVXWUHKLSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2n[nH]c3c2CCC3)cc1C ZINC001498065112 1106872056 /nfs/dbraw/zinc/87/20/56/1106872056.db2.gz OEEVVPMSSYLYTA-ZDUSSCGKSA-N 1 0 342.443 2.124 10 10 EECERO CCn1ccc(C(=O)N(C)CCC[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001498622837 1107831089 /nfs/dbraw/zinc/83/10/89/1107831089.db2.gz ZCIGVPGBYZNMFN-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001466665487 1110440519 /nfs/dbraw/zinc/44/05/19/1110440519.db2.gz KEXOHTXYHSXKNT-RHSMWYFYSA-N 1 0 340.423 2.277 10 10 EECERO COC(=O)CCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001472280698 1110550232 /nfs/dbraw/zinc/55/02/32/1110550232.db2.gz KGNRLWMSOONIMV-KRWDZBQOSA-N 1 0 349.475 2.205 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001507225684 1115155812 /nfs/dbraw/zinc/15/58/12/1115155812.db2.gz DZLXOVPULULHED-MRXNPFEDSA-N 1 0 334.460 2.007 10 10 EECERO CCc1n[nH]cc1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568178759 1124341393 /nfs/dbraw/zinc/34/13/93/1124341393.db2.gz HLNGGIPLLQNZKG-CYBMUJFWSA-N 1 0 344.459 2.445 10 10 EECERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000191673303 533088258 /nfs/dbraw/zinc/08/82/58/533088258.db2.gz MSYSOVBWBLWDBP-NEWSRXKRSA-N 1 0 344.455 2.297 10 10 EECERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000774686129 577411111 /nfs/dbraw/zinc/41/11/11/577411111.db2.gz AIDCFROILRSMHR-SJORKVTESA-N 1 0 333.428 2.423 10 10 EECERO CC[N@@H+]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754079340 577799830 /nfs/dbraw/zinc/79/98/30/577799830.db2.gz GBASOEQLWCWBNM-WOLRVDTOSA-N 1 0 333.388 2.311 10 10 EECERO C[NH+]1CCC(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804734550 675610783 /nfs/dbraw/zinc/61/07/83/675610783.db2.gz QIIWPBFBPPFAEC-UHFFFAOYSA-N 1 0 327.222 2.113 10 10 EECERO CCCN(Cc1nc(Br)nn1C)c1ccc(C[NH3+])cc1 ZINC000894569831 682976621 /nfs/dbraw/zinc/97/66/21/682976621.db2.gz LXJSYONWCDIVLD-UHFFFAOYSA-N 1 0 338.253 2.453 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1 ZINC000895071463 683699201 /nfs/dbraw/zinc/69/92/01/683699201.db2.gz OJIRILUIYOJRKQ-UHFFFAOYSA-N 1 0 329.400 2.188 10 10 EECERO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000895813909 684734202 /nfs/dbraw/zinc/73/42/02/684734202.db2.gz KBCCSJKGMDNSSG-HKUYNNGSSA-N 1 0 343.471 2.045 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1C ZINC001485735592 1191914867 /nfs/dbraw/zinc/91/48/67/1191914867.db2.gz IEYRVCHVJVNGTG-ITQYTPKQSA-N 1 0 346.471 2.271 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](OC)C3CC3)C2)cc1C ZINC001266681238 1177186114 /nfs/dbraw/zinc/18/61/14/1177186114.db2.gz WGFMKRZODOIKLC-JZXOWHBKSA-N 1 0 332.444 2.165 10 10 EECERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C[C@H]1CCCCO1 ZINC001266996103 1178054239 /nfs/dbraw/zinc/05/42/39/1178054239.db2.gz NBSFKIZZYDZQGC-SWLSCSKDSA-N 1 0 347.419 2.126 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cn(C)nc2C)cc1C ZINC001267979257 1180912001 /nfs/dbraw/zinc/91/20/01/1180912001.db2.gz GZWMBCZZKWIJGQ-CYBMUJFWSA-N 1 0 344.459 2.201 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001482862682 1187776290 /nfs/dbraw/zinc/77/62/90/1187776290.db2.gz BCNUQIOETILCNS-WMZOPIPTSA-N 1 0 347.503 2.472 10 10 EECERO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cc(Br)ccc1O ZINC000841953457 1188207034 /nfs/dbraw/zinc/20/70/34/1188207034.db2.gz INGMWJQMAGZJML-LBPRGKRZSA-N 1 0 344.253 2.327 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000794711149 1197904666 /nfs/dbraw/zinc/90/46/66/1197904666.db2.gz QGHXKYOYVCDLNM-LJQANCHMSA-N 1 0 342.395 2.029 10 10 EECERO O=[N+]([O-])c1cc(C[NH2+]C2COCCOC2)ccc1N1CCCCC1 ZINC000813789861 1199175403 /nfs/dbraw/zinc/17/54/03/1199175403.db2.gz ZWGFSRXEGYACST-UHFFFAOYSA-N 1 0 335.404 2.090 10 10 EECERO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810256676 1199405749 /nfs/dbraw/zinc/40/57/49/1199405749.db2.gz DTCVLVKKXZBZGO-ZBFHGGJFSA-N 1 0 340.439 2.364 10 10 EECERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866442386 1201518948 /nfs/dbraw/zinc/51/89/48/1201518948.db2.gz KTIGGEPWLCDPJJ-XHDPSFHLSA-N 1 0 332.366 2.329 10 10 EECERO C[C@H]1C[C@H]([NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c2c1c(F)ccc2O ZINC000866629810 1201563900 /nfs/dbraw/zinc/56/39/00/1201563900.db2.gz RGZSKVMWQGWMED-ZANVPECISA-N 1 0 345.374 2.438 10 10 EECERO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868309977 1201788898 /nfs/dbraw/zinc/78/88/98/1201788898.db2.gz OFKVOEWVAMOBCW-ZDUSSCGKSA-N 1 0 341.411 2.318 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C ZINC001275240631 1205288807 /nfs/dbraw/zinc/28/88/07/1205288807.db2.gz AKZBFMZYSGCHIL-KVGGFXGBSA-N 1 0 344.455 2.021 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)cc1 ZINC000929317035 1206464614 /nfs/dbraw/zinc/46/46/14/1206464614.db2.gz VKLZHERYKAMWKZ-SNRMKQJTSA-N 1 0 332.444 2.011 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CCC2(COC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000930211006 1206541756 /nfs/dbraw/zinc/54/17/56/1206541756.db2.gz ROIKYPYSAMVENH-QAPCUYQASA-N 1 0 332.444 2.122 10 10 EECERO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093278007 1214839000 /nfs/dbraw/zinc/83/90/00/1214839000.db2.gz PESVZMNWOULKHQ-LJQANCHMSA-N 1 0 343.471 2.110 10 10 EECERO CN(C)c1ccc(/C=C\CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699463 1248656382 /nfs/dbraw/zinc/65/63/82/1248656382.db2.gz HQMQOSRRWPVZDF-XQQSMPNESA-N 1 0 329.488 2.297 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850330888 1277176206 /nfs/dbraw/zinc/17/62/06/1277176206.db2.gz TVNQNWBJQRCXIG-DTTOXWODSA-N 1 0 332.444 2.309 10 10 EECERO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000850484956 1277240217 /nfs/dbraw/zinc/24/02/17/1277240217.db2.gz VJCMAYWUDLQEMQ-HHXXYDBFSA-N 1 0 334.460 2.225 10 10 EECERO COCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001490581279 1291477282 /nfs/dbraw/zinc/47/72/82/1291477282.db2.gz ZUYREEGUYIPVQD-OAHLLOKOSA-N 1 0 347.419 2.080 10 10 EECERO CN(C)c1ccc(C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)cc1 ZINC000852073072 1291981941 /nfs/dbraw/zinc/98/19/41/1291981941.db2.gz OTALFNZIZJWYEI-GOSISDBHSA-N 1 0 328.460 2.480 10 10 EECERO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852192312 1292035038 /nfs/dbraw/zinc/03/50/38/1292035038.db2.gz USFPAKKHVSWINH-MRXNPFEDSA-N 1 0 348.491 2.305 10 10 EECERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230058 1293120825 /nfs/dbraw/zinc/12/08/25/1293120825.db2.gz MLFURXMBIXCVAK-YJBOKZPZSA-N 1 0 331.460 2.265 10 10 EECERO C[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Br)CS1(=O)=O ZINC000858189524 1294037883 /nfs/dbraw/zinc/03/78/83/1294037883.db2.gz MZCFRQXNVRNZPM-ZJUUUORDSA-N 1 0 348.262 2.210 10 10 EECERO COC(=O)[C@]12C[N@H+](Cc3c(O)cc(C)cc3Cl)C[C@H]1COCC2 ZINC000840940967 1315441377 /nfs/dbraw/zinc/44/13/77/1315441377.db2.gz KXSRPBRPVVRCFT-YVEFUNNKSA-N 1 0 339.819 2.366 10 10 EECERO Nc1ccc(Cc2nc(C(=O)N3CCC4(CC[NH2+]4)CC3)cs2)cc1 ZINC000842512537 1315718947 /nfs/dbraw/zinc/71/89/47/1315718947.db2.gz QTBOKDFSQHOLQF-UHFFFAOYSA-N 1 0 342.468 2.284 10 10 EECERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc2ccccc2c1O ZINC000843429678 1315914149 /nfs/dbraw/zinc/91/41/49/1315914149.db2.gz ZJMFPZRKXNHORT-CQSZACIVSA-N 1 0 327.428 2.097 10 10 EECERO CCc1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n(C)n1 ZINC001491617081 1330185537 /nfs/dbraw/zinc/18/55/37/1330185537.db2.gz CWVWHKPSTVWQLF-AWEZNQCLSA-N 1 0 344.459 2.208 10 10 EECERO COCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001320114375 1332831284 /nfs/dbraw/zinc/83/12/84/1332831284.db2.gz KSABTVPGMBQGJG-SJORKVTESA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCOC[C@@H]2C)cc1C ZINC001321235754 1333051384 /nfs/dbraw/zinc/05/13/84/1333051384.db2.gz LLQRMOQWUVKECK-IMBPEULASA-N 1 0 346.471 2.438 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@@]23CCOC3)cc1C ZINC001322780245 1333325077 /nfs/dbraw/zinc/32/50/77/1333325077.db2.gz OOHSLWNJCWDCEO-FXAWDEMLSA-N 1 0 346.471 2.368 10 10 EECERO COCC1(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001331502211 1335023923 /nfs/dbraw/zinc/02/39/23/1335023923.db2.gz DEKSLOFDOLDPJC-HNNXBMFYSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2cncc2C)cc1C ZINC001674700515 1356878837 /nfs/dbraw/zinc/87/88/37/1356878837.db2.gz MLCNBQRDRPISRJ-CVEARBPZSA-N 1 0 344.459 2.192 10 10 EECERO CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001683426044 1358190695 /nfs/dbraw/zinc/19/06/95/1358190695.db2.gz UGIIYWYZIYGLAD-CRAIPNDOSA-N 1 0 332.492 2.385 10 10 EECERO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816607766 784148899 /nfs/dbraw/zinc/14/88/99/784148899.db2.gz FIVXPWIQEFIOET-INIZCTEOSA-N 1 0 348.468 2.401 10 10 EECERO NC(=O)C1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000218322720 784585589 /nfs/dbraw/zinc/58/55/89/784585589.db2.gz VAIBIRLOWKPKQA-UHFFFAOYSA-N 1 0 327.222 2.288 10 10 EECERO Nc1ccc(Cc2nc(C(=O)N3CC[NH+]4CCC3CC4)cs2)cc1 ZINC000817996488 785113249 /nfs/dbraw/zinc/11/32/49/785113249.db2.gz DGLBTCINHNRNMS-UHFFFAOYSA-N 1 0 342.468 2.236 10 10 EECERO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000818972386 785366878 /nfs/dbraw/zinc/36/68/78/785366878.db2.gz GASCPBZYCFXRSL-HXUWFJFHSA-N 1 0 344.430 2.356 10 10 EECERO OC[C@]1(F)C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1c1ccccc1 ZINC000824635537 788250174 /nfs/dbraw/zinc/25/01/74/788250174.db2.gz HOWBGZIEQCXQBZ-DNVCBOLYSA-N 1 0 345.370 2.421 10 10 EECERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000846046681 790035960 /nfs/dbraw/zinc/03/59/60/790035960.db2.gz MPVNCJTYUROPIS-IYBDPMFKSA-N 1 0 326.396 2.325 10 10 EECERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1 ZINC000606441383 795559231 /nfs/dbraw/zinc/55/92/31/795559231.db2.gz LJAAKXQXXCKYSU-RCCZTWBHSA-N 1 0 343.471 2.122 10 10 EECERO C[NH+](C)CC[C@H](NC(=O)NCc1ccccc1O)c1cccnc1 ZINC000915525017 796299772 /nfs/dbraw/zinc/29/97/72/796299772.db2.gz KYWUTNYCWGGXOA-INIZCTEOSA-N 1 0 328.416 2.279 10 10 EECERO CCN(CC)c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1F ZINC000786824765 806893992 /nfs/dbraw/zinc/89/39/92/806893992.db2.gz MNZRJABZVAQLCW-UHFFFAOYSA-N 1 0 328.453 2.196 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C)cc2=O ZINC000789450777 808014647 /nfs/dbraw/zinc/01/46/47/808014647.db2.gz HFDKRWVFMSSLGG-JHJVBQTASA-N 1 0 346.431 2.478 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001479478037 1098558327 /nfs/dbraw/zinc/55/83/27/1098558327.db2.gz XPRQMFKLJQKWGW-MRXNPFEDSA-N 1 0 348.491 2.115 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc[nH]c(=O)c2)cc1C ZINC001498032161 1106807967 /nfs/dbraw/zinc/80/79/67/1106807967.db2.gz PCVBFGGYGWTBIX-ZDUSSCGKSA-N 1 0 329.400 2.012 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)C=C2CCC2)cc1C ZINC001501448592 1113359172 /nfs/dbraw/zinc/35/91/72/1113359172.db2.gz YNTMTHVSFFMQME-UHFFFAOYSA-N 1 0 332.444 2.024 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ncccc2O)cc1C ZINC001507069083 1115091488 /nfs/dbraw/zinc/09/14/88/1115091488.db2.gz VVQXRODROSMALA-AWEZNQCLSA-N 1 0 343.427 2.355 10 10 EECERO CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001507298837 1115180363 /nfs/dbraw/zinc/18/03/63/1115180363.db2.gz RGHFPENDHYJDAT-SWLSCSKDSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001568555206 1124608593 /nfs/dbraw/zinc/60/85/93/1124608593.db2.gz XVHCDIXIGCLAGS-VXNCWWDNSA-N 1 0 346.471 2.007 10 10 EECERO C[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000156917137 287322000 /nfs/dbraw/zinc/32/20/00/287322000.db2.gz NDSZLLJDJKBHTB-CSZITXDSSA-N 1 0 343.471 2.122 10 10 EECERO COc1cccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1O ZINC000074792983 462636060 /nfs/dbraw/zinc/63/60/60/462636060.db2.gz RDHCKLCVVYHAHQ-GOOCMWNKSA-N 1 0 333.432 2.215 10 10 EECERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2=O)n(C)n1 ZINC000186328266 463978003 /nfs/dbraw/zinc/97/80/03/463978003.db2.gz NDMYGPAHBWEDSC-IUODEOHRSA-N 1 0 346.406 2.419 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246457700 464586930 /nfs/dbraw/zinc/58/69/30/464586930.db2.gz NZIOENMMUXNXIY-MSOLQXFVSA-N 1 0 334.485 2.230 10 10 EECERO COc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191807802 464827745 /nfs/dbraw/zinc/82/77/45/464827745.db2.gz NQJJNDDJZFFJAI-QGZVFWFLSA-N 1 0 344.386 2.431 10 10 EECERO Oc1cc2c(cc1C[NH+]1CCN(c3ccccc3)CC1)[C@H](O)CO2 ZINC000768437751 577555494 /nfs/dbraw/zinc/55/54/94/577555494.db2.gz FWTRHVPWDSANOX-GOSISDBHSA-N 1 0 326.396 2.140 10 10 EECERO Cc1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c(O)c1C ZINC000756688607 577848610 /nfs/dbraw/zinc/84/86/10/577848610.db2.gz PCTLNCPLVAXHFF-AWEZNQCLSA-N 1 0 326.462 2.085 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)cc1C ZINC001691346056 1177942248 /nfs/dbraw/zinc/94/22/48/1177942248.db2.gz MYZGHPAIUMYMIP-UHFFFAOYSA-N 1 0 333.476 2.036 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cnnc(C)c2)cc1C ZINC001268642285 1183573003 /nfs/dbraw/zinc/57/30/03/1183573003.db2.gz MZGQQVKBHWEFJI-CQSZACIVSA-N 1 0 328.416 2.010 10 10 EECERO COc1nc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001270469440 1185115233 /nfs/dbraw/zinc/11/52/33/1185115233.db2.gz LRNSSZKXVOLVSW-GFCCVEGCSA-N 1 0 347.415 2.156 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)n2cccn2)cc1C ZINC001270904115 1185708895 /nfs/dbraw/zinc/70/88/95/1185708895.db2.gz IWVGGCMNIYGITQ-HZPDHXFCSA-N 1 0 344.459 2.398 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cnccn1 ZINC001482908024 1187825294 /nfs/dbraw/zinc/82/52/94/1187825294.db2.gz HILWUZOLUIKULD-UHFFFAOYSA-N 1 0 328.416 2.046 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccnnc2C)cc1C ZINC001485895233 1193632880 /nfs/dbraw/zinc/63/28/80/1193632880.db2.gz JOLSHDPYKNTROD-CQSZACIVSA-N 1 0 342.443 2.352 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C[C@](C)(O)C3CC3)C2)cc1 ZINC000872210373 1198088651 /nfs/dbraw/zinc/08/86/51/1198088651.db2.gz XEXGMBJAAIMLCX-ZTNFWEORSA-N 1 0 348.487 2.023 10 10 EECERO FC(F)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000872254468 1198114405 /nfs/dbraw/zinc/11/44/05/1198114405.db2.gz FDRXYRQKKWUZLX-INIZCTEOSA-N 1 0 326.387 2.379 10 10 EECERO COC(=O)/C=C\c1ccc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000865904865 1198420472 /nfs/dbraw/zinc/42/04/72/1198420472.db2.gz XDUPCTGQEWJFNH-HMPZPJAKSA-N 1 0 345.399 2.169 10 10 EECERO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000810041171 1199216598 /nfs/dbraw/zinc/21/65/98/1199216598.db2.gz NUQURRQELAHUGH-UHFFFAOYSA-N 1 0 339.505 2.048 10 10 EECERO COc1ccc(N2CCN(CC[NH2+]C3[C@H](C)COC[C@H]3C)CC2)cc1 ZINC000924832238 1206039298 /nfs/dbraw/zinc/03/92/98/1206039298.db2.gz QHDQNSMOPPDBNS-IAGOWNOFSA-N 1 0 347.503 2.078 10 10 EECERO CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000929821871 1206505396 /nfs/dbraw/zinc/50/53/96/1206505396.db2.gz PAVBNJBMCWITGX-DZGCQCFKSA-N 1 0 336.407 2.156 10 10 EECERO [NH3+][C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000903982853 1242858448 /nfs/dbraw/zinc/85/84/48/1242858448.db2.gz XNDHWLHEOQBEGT-HOTGVXAUSA-N 1 0 343.393 2.235 10 10 EECERO CC[C@H](O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311363 1247883182 /nfs/dbraw/zinc/88/31/82/1247883182.db2.gz YXWAYKSKIPOFLM-CABCVRRESA-N 1 0 340.851 2.287 10 10 EECERO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000826845131 1248089093 /nfs/dbraw/zinc/08/90/93/1248089093.db2.gz GGCXFAZTPFBACM-ZDUSSCGKSA-N 1 0 330.384 2.443 10 10 EECERO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)CC1 ZINC000850436350 1277223667 /nfs/dbraw/zinc/22/36/67/1277223667.db2.gz UHCSOHDHRJYHTG-KRWDZBQOSA-N 1 0 334.485 2.344 10 10 EECERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852066673 1291980144 /nfs/dbraw/zinc/98/01/44/1291980144.db2.gz QJTXBRUULVIYKU-HZPDHXFCSA-N 1 0 348.491 2.303 10 10 EECERO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843557 1292213346 /nfs/dbraw/zinc/21/33/46/1292213346.db2.gz AZSCJHGBRIUGLL-RHSMWYFYSA-N 1 0 333.476 2.414 10 10 EECERO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843558 1292213551 /nfs/dbraw/zinc/21/35/51/1292213551.db2.gz AZSCJHGBRIUGLL-WMLDXEAASA-N 1 0 333.476 2.414 10 10 EECERO COc1cccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1O ZINC000858236403 1294056239 /nfs/dbraw/zinc/05/62/39/1294056239.db2.gz LTPRRTDSZKSNPH-UHFFFAOYSA-N 1 0 345.386 2.447 10 10 EECERO NC(=O)C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000862535735 1295870993 /nfs/dbraw/zinc/87/09/93/1295870993.db2.gz XRLOKIZKUFUPHP-KRWDZBQOSA-N 1 0 326.396 2.135 10 10 EECERO COc1c(O)c(CNc2ccc3c(c2)OCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000863649331 1296366590 /nfs/dbraw/zinc/36/65/90/1296366590.db2.gz CODKFYPLWHDGOB-UHFFFAOYSA-N 1 0 345.355 2.403 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N2CCNC[C@@](C)(F)C2)cc1 ZINC000841717321 1315603214 /nfs/dbraw/zinc/60/32/14/1315603214.db2.gz JYFLPAOIWUMLPE-GOSISDBHSA-N 1 0 336.455 2.376 10 10 EECERO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842003663 1315650274 /nfs/dbraw/zinc/65/02/74/1315650274.db2.gz JFRVEZXODZGJAV-CQSZACIVSA-N 1 0 327.375 2.311 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723151 1315761707 /nfs/dbraw/zinc/76/17/07/1315761707.db2.gz YZLPASJRUVOZBS-INIZCTEOSA-N 1 0 346.452 2.077 10 10 EECERO COc1ccc(N2CCC([NH2+]CC(C)(C)[C@]3(O)CCOC3)CC2)cc1 ZINC000842758953 1315768706 /nfs/dbraw/zinc/76/87/06/1315768706.db2.gz OBLAATCYRBVLLI-FQEVSTJZSA-N 1 0 348.487 2.431 10 10 EECERO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000843349971 1315896517 /nfs/dbraw/zinc/89/65/17/1315896517.db2.gz GRDXJEOQVDIVIW-OALUTQOASA-N 1 0 343.471 2.068 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](OC)C3CC3)C2)cc1C ZINC001265476021 1323174600 /nfs/dbraw/zinc/17/46/00/1323174600.db2.gz WGFMKRZODOIKLC-JFIYKMOQSA-N 1 0 332.444 2.165 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001331697507 1335059752 /nfs/dbraw/zinc/05/97/52/1335059752.db2.gz QHDSXADCJSIPJS-HNNXBMFYSA-N 1 0 348.487 2.253 10 10 EECERO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2c(O)cccc2Br)CC1=O ZINC001348085185 1337536397 /nfs/dbraw/zinc/53/63/97/1337536397.db2.gz FNGMTGPVBIKKGC-GIPNMCIBSA-N 1 0 339.233 2.254 10 10 EECERO CCOc1nc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001567034160 1342684235 /nfs/dbraw/zinc/68/42/35/1342684235.db2.gz ZXXTZBWKWBDHID-ZDUSSCGKSA-N 1 0 347.415 2.298 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cnsn2)cc1C ZINC001571378885 1343201197 /nfs/dbraw/zinc/20/11/97/1343201197.db2.gz MWAWZGOYZQMPFD-GFCCVEGCSA-N 1 0 334.445 2.105 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cnc(C)cn2)cc1C ZINC001662155492 1354755243 /nfs/dbraw/zinc/75/52/43/1354755243.db2.gz BDXPHZIHYXVROC-CQSZACIVSA-N 1 0 328.416 2.010 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1CCC(O)CC1 ZINC001668415800 1355937085 /nfs/dbraw/zinc/93/70/85/1355937085.db2.gz QQEGEMPIBFHQNZ-UHFFFAOYSA-N 1 0 348.487 2.493 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cnns2)C2CC2)cc1C ZINC001699574390 1405401205 /nfs/dbraw/zinc/40/12/05/1405401205.db2.gz WDBGUMDBCXFNNL-AWEZNQCLSA-N 1 0 346.456 2.153 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)n3cccn3)CC2)cc1C ZINC001699644214 1405427907 /nfs/dbraw/zinc/42/79/07/1405427907.db2.gz DCXXMEWUJYYPHR-HNNXBMFYSA-N 1 0 342.443 2.200 10 10 EECERO CCN1C[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)OC1=O ZINC000846824066 790598541 /nfs/dbraw/zinc/59/85/41/790598541.db2.gz GSWCWPNJMFYXCI-HZPDHXFCSA-N 1 0 334.416 2.214 10 10 EECERO OCC[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000825341199 788580355 /nfs/dbraw/zinc/58/03/55/788580355.db2.gz BUOKEHLCBOOWEW-AWEZNQCLSA-N 1 0 330.222 2.033 10 10 EECERO Cc1cc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c(C)n1-c1ccccc1 ZINC000913166496 788674584 /nfs/dbraw/zinc/67/45/84/788674584.db2.gz CDEJWKQFCVOCMD-ICSRJNTNSA-N 1 0 341.455 2.165 10 10 EECERO Cc1cc(Br)cc(C[NH2+]CC[C@@]2(O)CCOC2)c1O ZINC000846047714 790036575 /nfs/dbraw/zinc/03/65/75/790036575.db2.gz AOZDROUWOAOIFL-CQSZACIVSA-N 1 0 330.222 2.094 10 10 EECERO [NH3+]CC1(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000846189320 790084612 /nfs/dbraw/zinc/08/46/12/790084612.db2.gz SQWVEESDSLWWPC-MRXNPFEDSA-N 1 0 347.459 2.212 10 10 EECERO CCOC(=O)c1csc(CC[NH2+]Cc2c(O)cccc2OC)n1 ZINC000786824688 806893678 /nfs/dbraw/zinc/89/36/78/806893678.db2.gz YRTSRQBXBGBXGP-UHFFFAOYSA-N 1 0 336.413 2.366 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000787278509 807064497 /nfs/dbraw/zinc/06/44/97/807064497.db2.gz FUOLVKZWMNYKCB-WFASDCNBSA-N 1 0 332.366 2.487 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000792926890 810073825 /nfs/dbraw/zinc/07/38/25/810073825.db2.gz OQBDXQKNUHECJM-IBGZPJMESA-N 1 0 347.503 2.338 10 10 EECERO CCn1nccc1C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498536563 1107686898 /nfs/dbraw/zinc/68/68/98/1107686898.db2.gz LSPTUBQCHWVUGH-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO CCCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]n1 ZINC001456938809 1109374844 /nfs/dbraw/zinc/37/48/44/1109374844.db2.gz YXYRGJXTIKSHNN-SFHVURJKSA-N 1 0 343.475 2.461 10 10 EECERO CN(C)c1ccc(CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)C2CC2)cc1 ZINC001543501559 1124131080 /nfs/dbraw/zinc/13/10/80/1124131080.db2.gz KGULQKATVGBZTN-RTBURBONSA-N 1 0 345.487 2.089 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2cnoc2)cc1C ZINC001568293134 1124408384 /nfs/dbraw/zinc/40/83/84/1124408384.db2.gz CTRNZBAWANWONY-CQSZACIVSA-N 1 0 331.416 2.171 10 10 EECERO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282882995 464987186 /nfs/dbraw/zinc/98/71/86/464987186.db2.gz CWWLOKAMASGEQG-QGZVFWFLSA-N 1 0 340.423 2.470 10 10 EECERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc3c(cc1O)OCO3)C[C@H](C)O2 ZINC000373719443 466898046 /nfs/dbraw/zinc/89/80/46/466898046.db2.gz LHAZHWXCNPYMCB-FHSNZYRGSA-N 1 0 335.400 2.279 10 10 EECERO COc1cc(Br)cc(C[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000725846509 576065976 /nfs/dbraw/zinc/06/59/76/576065976.db2.gz KLASHCFTDLAKMV-GFCCVEGCSA-N 1 0 329.238 2.347 10 10 EECERO CC[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1O ZINC000775551012 577439323 /nfs/dbraw/zinc/43/93/23/577439323.db2.gz GAPHALYEOUIGMQ-JKSUJKDBSA-N 1 0 342.443 2.358 10 10 EECERO Cc1cccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1O ZINC000775717766 577443562 /nfs/dbraw/zinc/44/35/62/577443562.db2.gz JGXSALDDCHPSNV-KRWDZBQOSA-N 1 0 332.444 2.304 10 10 EECERO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(O)c1O ZINC000770503476 577597588 /nfs/dbraw/zinc/59/75/88/577597588.db2.gz APJZPMVORCFBRT-OAHLLOKOSA-N 1 0 348.443 2.123 10 10 EECERO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000756138374 577839185 /nfs/dbraw/zinc/83/91/85/577839185.db2.gz PIUGXILIPIRGRF-UHFFFAOYSA-N 1 0 343.402 2.321 10 10 EECERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)c2c1c(F)ccc2O ZINC000756737723 577849627 /nfs/dbraw/zinc/84/96/27/577849627.db2.gz YJYIRSWBZOGXKY-UGFHNGPFSA-N 1 0 348.418 2.449 10 10 EECERO CC[N@H+](CC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000804732901 675608645 /nfs/dbraw/zinc/60/86/45/675608645.db2.gz DWRFZHWFFPEAFU-UHFFFAOYSA-N 1 0 327.222 2.255 10 10 EECERO CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925141791 686247901 /nfs/dbraw/zinc/24/79/01/686247901.db2.gz CYQUASXBSQOZAA-GJZGRUSLSA-N 1 0 335.473 2.113 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cnn(C)c1C ZINC001268434961 1182609731 /nfs/dbraw/zinc/60/97/31/1182609731.db2.gz ONEKBLYGQMTIEU-UHFFFAOYSA-N 1 0 344.459 2.297 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2=CCOCC2)cc1C ZINC001482099194 1183328405 /nfs/dbraw/zinc/32/84/05/1183328405.db2.gz YEDBMEHWDIYDEZ-CQSZACIVSA-N 1 0 332.444 2.192 10 10 EECERO CCn1ncc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001691525824 1186239969 /nfs/dbraw/zinc/23/99/69/1186239969.db2.gz SCYTUWHEONQUKO-UHFFFAOYSA-N 1 0 344.459 2.390 10 10 EECERO COCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485078525 1191646260 /nfs/dbraw/zinc/64/62/60/1191646260.db2.gz GTHTYBPOUFKJNQ-HNNXBMFYSA-N 1 0 347.419 2.032 10 10 EECERO COc1cccc([C@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)c1O ZINC000866438599 1201517857 /nfs/dbraw/zinc/51/78/57/1201517857.db2.gz ZLJSMEXKAHCCBE-LBPRGKRZSA-N 1 0 325.405 2.410 10 10 EECERO CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1O ZINC000866521859 1201539958 /nfs/dbraw/zinc/53/99/58/1201539958.db2.gz QMQYIOCFDKJHDI-BBRMVZONSA-N 1 0 340.807 2.308 10 10 EECERO COc1ccc(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)c(O)c1 ZINC000869010064 1201923253 /nfs/dbraw/zinc/92/32/53/1201923253.db2.gz PSVRPGZWZNPNER-UHFFFAOYSA-N 1 0 335.448 2.463 10 10 EECERO COc1ccc(O)c(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000159871392 1208510322 /nfs/dbraw/zinc/51/03/22/1208510322.db2.gz REVOYEJWRAFUPQ-UHFFFAOYSA-N 1 0 335.448 2.320 10 10 EECERO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903217895 1240032076 /nfs/dbraw/zinc/03/20/76/1240032076.db2.gz FOKPHKHLMRWYMV-HUUCEWRRSA-N 1 0 349.450 2.181 10 10 EECERO CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903533553 1240827883 /nfs/dbraw/zinc/82/78/83/1240827883.db2.gz HYDBQQMBTFEUEB-OLZOCXBDSA-N 1 0 334.313 2.445 10 10 EECERO [O-]c1c(Br)cccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955263 1242700913 /nfs/dbraw/zinc/70/09/13/1242700913.db2.gz OAOFZKSWNJEEHE-SNVBAGLBSA-N 1 0 335.192 2.489 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)c3cccc4c3C[NH2+]C4)C2)cc1 ZINC000852843729 1292213200 /nfs/dbraw/zinc/21/32/00/1292213200.db2.gz GBXRANQMVCXKKW-HNNXBMFYSA-N 1 0 337.423 2.307 10 10 EECERO COc1cc(O)c(C[NH+]2CC(CO)(c3ccccc3)C2)cc1OC ZINC000840970798 1315449078 /nfs/dbraw/zinc/44/90/78/1315449078.db2.gz WLJWKNYPGIDWCG-UHFFFAOYSA-N 1 0 329.396 2.155 10 10 EECERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850609 1315623357 /nfs/dbraw/zinc/62/33/57/1315623357.db2.gz YHBWFSVGJXWIKT-BXUZGUMPSA-N 1 0 330.457 2.044 10 10 EECERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000842644070 1315743607 /nfs/dbraw/zinc/74/36/07/1315743607.db2.gz QHOCCGIMCYREBZ-OAHLLOKOSA-N 1 0 346.349 2.210 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccnnc2)C2CC2)cc1C ZINC001265372986 1323104344 /nfs/dbraw/zinc/10/43/44/1323104344.db2.gz UIPPJXBHOWRJHG-QGZVFWFLSA-N 1 0 340.427 2.092 10 10 EECERO CCc1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001265754445 1323364577 /nfs/dbraw/zinc/36/45/77/1323364577.db2.gz FBIHTTDWMAYGRE-CYBMUJFWSA-N 1 0 330.432 2.197 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)COC(C)C)C2)cc1C ZINC001565838192 1342567112 /nfs/dbraw/zinc/56/71/12/1342567112.db2.gz DPOYYKSNJJTTQZ-CALCHBBNSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](OC)C2CC2)cc1C ZINC001676341418 1357137353 /nfs/dbraw/zinc/13/73/53/1357137353.db2.gz GNYHGNBSMJCYPG-KBXCAEBGSA-N 1 0 334.460 2.365 10 10 EECERO CCCC[C@H](O)CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001589179956 1348966873 /nfs/dbraw/zinc/96/68/73/1348966873.db2.gz SXCZJMFATJGLGX-IBGZPJMESA-N 1 0 347.503 2.386 10 10 EECERO Cc1cc[nH]c(=O)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001603556204 1350719103 /nfs/dbraw/zinc/71/91/03/1350719103.db2.gz WNSUQQRYXYYWML-INIZCTEOSA-N 1 0 342.443 2.194 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001662340167 1354782947 /nfs/dbraw/zinc/78/29/47/1354782947.db2.gz LXVGAJKSONMEDR-IIVZCXTMSA-N 1 0 332.444 2.165 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001683421108 1358190745 /nfs/dbraw/zinc/19/07/45/1358190745.db2.gz FPPCTUHAFVZAOW-WDYCEAGBSA-N 1 0 344.503 2.338 10 10 EECERO C[N@@H+]1C[C@@H](CNC(=O)c2c(F)ccc(O)c2O)[C@H](c2ccccc2)C1 ZINC000844150246 788880791 /nfs/dbraw/zinc/88/07/91/788880791.db2.gz YRUOGBPASZSQDO-KGLIPLIRSA-N 1 0 344.386 2.312 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)cc1 ZINC000844278262 788970071 /nfs/dbraw/zinc/97/00/71/788970071.db2.gz GOHNLLOPFVOZKD-SFHVURJKSA-N 1 0 345.443 2.191 10 10 EECERO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000846187957 790083390 /nfs/dbraw/zinc/08/33/90/790083390.db2.gz DCVKKJXZUUEGII-KKZNHRDASA-N 1 0 327.222 2.378 10 10 EECERO O=C1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CN1CC1CC1 ZINC000716766916 796454138 /nfs/dbraw/zinc/45/41/38/796454138.db2.gz WTVSGVCKGSJILZ-LLVKDONJSA-N 1 0 339.233 2.255 10 10 EECERO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)c2c1 ZINC000788382899 807506829 /nfs/dbraw/zinc/50/68/29/807506829.db2.gz HNZKGDGZVSCFIB-LJQANCHMSA-N 1 0 326.396 2.266 10 10 EECERO C[C@H](CC[NH+](C)C)NC(=O)NCc1cc(Br)ccc1O ZINC000805183793 811174691 /nfs/dbraw/zinc/17/46/91/811174691.db2.gz KPFHYECOLDUVOD-SNVBAGLBSA-N 1 0 344.253 2.294 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2n[nH]cc2C)cc1C ZINC001480763874 1107066818 /nfs/dbraw/zinc/06/68/18/1107066818.db2.gz GTDPBANQZUYWQZ-AWEZNQCLSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccn[nH]2)C2CC2)cc1C ZINC001498730659 1107989394 /nfs/dbraw/zinc/98/93/94/1107989394.db2.gz JNKWKFUNAKNDPZ-INIZCTEOSA-N 1 0 328.416 2.025 10 10 EECERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000193074575 237366120 /nfs/dbraw/zinc/36/61/20/237366120.db2.gz BMNLILFMLWPONB-CJNGLKHVSA-N 1 0 341.411 2.133 10 10 EECERO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825360 203121177 /nfs/dbraw/zinc/12/11/77/203121177.db2.gz AEHQLHQKOPFBDA-CYBMUJFWSA-N 1 0 331.439 2.460 10 10 EECERO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)N1CCOCC1 ZINC000124462368 463426435 /nfs/dbraw/zinc/42/64/35/463426435.db2.gz OKEFXEYTDPBIIE-ZDUSSCGKSA-N 1 0 338.835 2.116 10 10 EECERO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282825358 464963138 /nfs/dbraw/zinc/96/31/38/464963138.db2.gz NPXXCPURGOTXMO-RDTXWAMCSA-N 1 0 335.444 2.448 10 10 EECERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775254151 577433740 /nfs/dbraw/zinc/43/37/40/577433740.db2.gz HYUAWDVAQJDHLS-OAHLLOKOSA-N 1 0 331.460 2.042 10 10 EECERO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1O ZINC000775551011 577439304 /nfs/dbraw/zinc/43/93/04/577439304.db2.gz GAPHALYEOUIGMQ-HZPDHXFCSA-N 1 0 342.443 2.358 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCOC[C@H]3C)CC2)cc1C ZINC001269485033 1184304439 /nfs/dbraw/zinc/30/44/39/1184304439.db2.gz XQMZKIZZIJEHCA-WBVHZDCISA-N 1 0 346.471 2.415 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872210268 1198088243 /nfs/dbraw/zinc/08/82/43/1198088243.db2.gz SSKGTZZQVLMOHW-BEVDRBHNSA-N 1 0 334.504 2.494 10 10 EECERO COc1cc(Br)cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c1O ZINC000814173616 1199325825 /nfs/dbraw/zinc/32/58/25/1199325825.db2.gz NMNZYQFJWHEFLW-ZWNOBZJWSA-N 1 0 341.249 2.299 10 10 EECERO CC[C@H]([NH2+]CCc1nnnn1C)c1ccc(C(F)(F)F)cc1O ZINC000810223159 1199358792 /nfs/dbraw/zinc/35/87/92/1199358792.db2.gz DLOPWHGVLLYCHK-NSHDSACASA-N 1 0 329.326 2.218 10 10 EECERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)cc1 ZINC000866523703 1201540245 /nfs/dbraw/zinc/54/02/45/1201540245.db2.gz GAOACOXGXDPLHV-KDOFPFPSSA-N 1 0 333.432 2.015 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cnn(C)c2)cc1C ZINC001275349424 1205317282 /nfs/dbraw/zinc/31/72/82/1205317282.db2.gz UXMQBRRMNICPGE-KBPBESRZSA-N 1 0 330.432 2.034 10 10 EECERO CS[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1N(C)C ZINC000930128698 1206536170 /nfs/dbraw/zinc/53/61/70/1206536170.db2.gz NJSITFZKLZRBLR-ZWKOTPCHSA-N 1 0 335.517 2.001 10 10 EECERO COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2Br)c1 ZINC000720680940 1217427369 /nfs/dbraw/zinc/42/73/69/1217427369.db2.gz LSOBBDOZDILYPB-UHFFFAOYSA-N 1 0 326.194 2.187 10 10 EECERO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903217896 1240032848 /nfs/dbraw/zinc/03/28/48/1240032848.db2.gz FOKPHKHLMRWYMV-LSDHHAIUSA-N 1 0 349.450 2.181 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850076656 1277021648 /nfs/dbraw/zinc/02/16/48/1277021648.db2.gz AEQUMIXIPBKHQN-DTTOXWODSA-N 1 0 332.444 2.371 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@@H](OC)[C@H]3CCOC3)CC2)cc1 ZINC000850343039 1277184603 /nfs/dbraw/zinc/18/46/03/1277184603.db2.gz PUFKKEBSOAZKDX-HNAYVOBHSA-N 1 0 334.460 2.305 10 10 EECERO CCOc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(O)c1 ZINC000850348524 1277191683 /nfs/dbraw/zinc/19/16/83/1277191683.db2.gz OCHRYJWNKHZQEW-NRFANRHFSA-N 1 0 325.352 2.192 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000852843790 1292213666 /nfs/dbraw/zinc/21/36/66/1292213666.db2.gz HHOHNORXZLULDD-HMQMGEFJSA-N 1 0 343.471 2.311 10 10 EECERO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852882526 1292224100 /nfs/dbraw/zinc/22/41/00/1292224100.db2.gz KGPXRDNRMJLRKC-OAHLLOKOSA-N 1 0 341.459 2.215 10 10 EECERO COCCN1CCC[C@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858121714 1294013111 /nfs/dbraw/zinc/01/31/11/1294013111.db2.gz FTBOWUZGYMLEGS-AWEZNQCLSA-N 1 0 327.419 2.231 10 10 EECERO Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858328435 1294085374 /nfs/dbraw/zinc/08/53/74/1294085374.db2.gz NKMALQVPMYNNAV-HIFRSBDPSA-N 1 0 338.358 2.342 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2c(C)ncn2C)cc1C ZINC001277855198 1304915490 /nfs/dbraw/zinc/91/54/90/1304915490.db2.gz RGTRPXOWMORNIA-CQSZACIVSA-N 1 0 344.459 2.296 10 10 EECERO CC(C)[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC(=O)N1 ZINC000840977569 1315450060 /nfs/dbraw/zinc/45/00/60/1315450060.db2.gz WHDYFVAQRGOXBV-QGZVFWFLSA-N 1 0 331.460 2.012 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841709680 1315602197 /nfs/dbraw/zinc/60/21/97/1315602197.db2.gz KRTHZLCEARDZGQ-OAHLLOKOSA-N 1 0 338.402 2.083 10 10 EECERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841852061 1315623780 /nfs/dbraw/zinc/62/37/80/1315623780.db2.gz WPUYNSJLFFGZSY-SMDDNHRTSA-N 1 0 330.457 2.044 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ncccc2O)cc1C ZINC001266140026 1323709658 /nfs/dbraw/zinc/70/96/58/1323709658.db2.gz DIUPYJOBHUBNNW-AWEZNQCLSA-N 1 0 343.427 2.402 10 10 EECERO COc1nc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001266163649 1323731987 /nfs/dbraw/zinc/73/19/87/1323731987.db2.gz MJZAFABNOKEMBS-ZDUSSCGKSA-N 1 0 347.415 2.298 10 10 EECERO CO[C@@H](C)C[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001284819249 1326728146 /nfs/dbraw/zinc/72/81/46/1326728146.db2.gz XIUXXROWPPLHNG-QGLTVNCISA-N 1 0 347.419 2.077 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCOC[C@H]2C)cc1C ZINC001321235752 1333051534 /nfs/dbraw/zinc/05/15/34/1333051534.db2.gz LLQRMOQWUVKECK-FPZRGXOSSA-N 1 0 346.471 2.438 10 10 EECERO COC(=O)c1c(CN2CC[C@@]23CCOC3)c2cc(F)ccc2n1C ZINC001332717020 1335889401 /nfs/dbraw/zinc/88/94/01/1335889401.db2.gz JNFYZLPOCZLSCQ-SFHVURJKSA-N 1 0 332.375 2.469 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ncccc2OC)cc1C ZINC001567073491 1342691183 /nfs/dbraw/zinc/69/11/83/1342691183.db2.gz WTHPJHXAPYWJSB-AWEZNQCLSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001632050481 1352592794 /nfs/dbraw/zinc/59/27/94/1352592794.db2.gz VHQTUBAOOWZXFC-QGZVFWFLSA-N 1 0 333.476 2.463 10 10 EECERO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001683426046 1358190819 /nfs/dbraw/zinc/19/08/19/1358190819.db2.gz UGIIYWYZIYGLAD-QAPCUYQASA-N 1 0 332.492 2.385 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCOCC3)C1)CCC2 ZINC000069796760 777755692 /nfs/dbraw/zinc/75/56/92/777755692.db2.gz NFKOKTYBYYUZFN-MRXNPFEDSA-N 1 0 330.472 2.425 10 10 EECERO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(O)c2O)CC1 ZINC001136047900 785047098 /nfs/dbraw/zinc/04/70/98/785047098.db2.gz MBOJLXIDPVNPKQ-UHFFFAOYSA-N 1 0 327.384 2.102 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001136208781 785492476 /nfs/dbraw/zinc/49/24/76/785492476.db2.gz OIRISZMUQPMANA-UHFFFAOYSA-N 1 0 340.423 2.205 10 10 EECERO FCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000824690355 788276279 /nfs/dbraw/zinc/27/62/79/788276279.db2.gz AXTUEFLNRWMJJM-UHFFFAOYSA-N 1 0 326.387 2.271 10 10 EECERO CN(C)c1ccc(C[NH2+]CC[C@]2(O)CCOC2)c(C(F)(F)F)c1 ZINC000846050163 790037845 /nfs/dbraw/zinc/03/78/45/790037845.db2.gz RJFHCBWOKYXVBG-HNNXBMFYSA-N 1 0 332.366 2.403 10 10 EECERO COc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1OC ZINC000903984395 796377049 /nfs/dbraw/zinc/37/70/49/796377049.db2.gz VNHVUMUMWNBDIQ-GHMZBOCLSA-N 1 0 334.338 2.121 10 10 EECERO O=C1C[C@@H](CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1 ZINC000922784760 801875808 /nfs/dbraw/zinc/87/58/08/801875808.db2.gz NBEWNDPRYCTZHF-OAHLLOKOSA-N 1 0 346.431 2.201 10 10 EECERO C[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC001445786115 1091653748 /nfs/dbraw/zinc/65/37/48/1091653748.db2.gz GSLADBLSTVGTME-WMLDXEAASA-N 1 0 340.423 2.420 10 10 EECERO COCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001501900919 1113516521 /nfs/dbraw/zinc/51/65/21/1113516521.db2.gz VFSMMXHIHOROMV-OAHLLOKOSA-N 1 0 347.419 2.080 10 10 EECERO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001545095474 1124178613 /nfs/dbraw/zinc/17/86/13/1124178613.db2.gz UZXBRGPGOUVEQY-QGZVFWFLSA-N 1 0 340.423 2.373 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1C ZINC000370185332 238255888 /nfs/dbraw/zinc/25/58/88/238255888.db2.gz QUUOYHUCXBEGMZ-UHFFFAOYSA-N 1 0 338.473 2.009 10 10 EECERO Oc1cc2c(cc1C[NH2+]C1CCN(c3ccccn3)CC1)OCO2 ZINC000063255952 462635391 /nfs/dbraw/zinc/63/53/91/462635391.db2.gz DMMUFCQCESFTEG-UHFFFAOYSA-N 1 0 327.384 2.275 10 10 EECERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000268831571 463792200 /nfs/dbraw/zinc/79/22/00/463792200.db2.gz KPWISCIDEXZYEA-YGRLFVJLSA-N 1 0 336.329 2.236 10 10 EECERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)n(C)n1 ZINC000277660133 463924327 /nfs/dbraw/zinc/92/43/27/463924327.db2.gz GQQMBKBQZDNRDG-KRWDZBQOSA-N 1 0 326.444 2.422 10 10 EECERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1O ZINC000368458370 466642364 /nfs/dbraw/zinc/64/23/64/466642364.db2.gz NTCIBUKYMWHYNM-GFCCVEGCSA-N 1 0 344.390 2.486 10 10 EECERO CC(C)C(=O)NCC[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC000583651792 468735363 /nfs/dbraw/zinc/73/53/63/468735363.db2.gz SOXKOACXJOLNIG-UHFFFAOYSA-N 1 0 334.338 2.495 10 10 EECERO CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(N(C)C)cc1 ZINC000772960879 577307721 /nfs/dbraw/zinc/30/77/21/577307721.db2.gz KUBTYERUEOWUMQ-KRWDZBQOSA-N 1 0 339.505 2.219 10 10 EECERO COc1cc(Br)cc(C[NH2+]Cc2ccn(C)n2)c1O ZINC000765790014 577507125 /nfs/dbraw/zinc/50/71/25/577507125.db2.gz LKVGKPGMOQYGAB-UHFFFAOYSA-N 1 0 326.194 2.187 10 10 EECERO Cn1ccc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768670043 577560607 /nfs/dbraw/zinc/56/06/07/577560607.db2.gz LHORBRFIUBPUHU-UHFFFAOYSA-N 1 0 339.487 2.242 10 10 EECERO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000895772347 684718744 /nfs/dbraw/zinc/71/87/44/684718744.db2.gz DXOGSXUAGKQPEP-SFHVURJKSA-N 1 0 343.471 2.062 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cnc(C)[nH]2)cc1C ZINC001270372535 1185056412 /nfs/dbraw/zinc/05/64/12/1185056412.db2.gz VWFAPQHHLNCCOP-LBPRGKRZSA-N 1 0 330.432 2.191 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cncnc2C)cc1C ZINC001485847676 1193615258 /nfs/dbraw/zinc/61/52/58/1193615258.db2.gz HSOATJYAJVAGJF-CQSZACIVSA-N 1 0 342.443 2.352 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccnc3)CC2)cc1C ZINC001483710493 1190792270 /nfs/dbraw/zinc/79/22/70/1190792270.db2.gz FLZHTKQPMYOBOL-UHFFFAOYSA-N 1 0 325.412 2.451 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccnn3)CCC2)cc1C ZINC001484656870 1191459401 /nfs/dbraw/zinc/45/94/01/1191459401.db2.gz VPHSGMZNEBWRQW-UHFFFAOYSA-N 1 0 340.427 2.236 10 10 EECERO CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486360777 1193847922 /nfs/dbraw/zinc/84/79/22/1193847922.db2.gz PZAFOIJVNBVTHF-HNNXBMFYSA-N 1 0 349.435 2.014 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)C2)cc1 ZINC000872210371 1198088256 /nfs/dbraw/zinc/08/82/56/1198088256.db2.gz XEXGMBJAAIMLCX-MOXGXCLJSA-N 1 0 348.487 2.023 10 10 EECERO O=C1NCCN1Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000865816486 1198389509 /nfs/dbraw/zinc/38/95/09/1198389509.db2.gz KQCDEAOGTLKLLT-UHFFFAOYSA-N 1 0 337.423 2.437 10 10 EECERO C[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000826030391 1200330977 /nfs/dbraw/zinc/33/09/77/1200330977.db2.gz YKPICOBSYQWWEU-ZFWWWQNUSA-N 1 0 341.249 2.060 10 10 EECERO COc1c(O)c(C[NH2+]Cc2c3c(nn2C)CCCC3)ccc1[N+](=O)[O-] ZINC000812773615 1200907566 /nfs/dbraw/zinc/90/75/66/1200907566.db2.gz IXMXMUUEYDXCFT-UHFFFAOYSA-N 1 0 346.387 2.211 10 10 EECERO Oc1ccccc1CN(Cc1[nH]nc2c1COCC2)C[C@H]1CCCO1 ZINC000929969453 1206523191 /nfs/dbraw/zinc/52/31/91/1206523191.db2.gz AKLACDQHQYDDRS-OAHLLOKOSA-N 1 0 343.427 2.369 10 10 EECERO CS[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1N(C)C ZINC000930128697 1206536218 /nfs/dbraw/zinc/53/62/18/1206536218.db2.gz NJSITFZKLZRBLR-ROUUACIJSA-N 1 0 335.517 2.001 10 10 EECERO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCNC2=O)c1O ZINC000779017079 1208440314 /nfs/dbraw/zinc/44/03/14/1208440314.db2.gz KEBVGOHWKLVJGP-CABZTGNLSA-N 1 0 327.222 2.392 10 10 EECERO COc1ccc(O)c([C@@H](C)NC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000779538718 1210458255 /nfs/dbraw/zinc/45/82/55/1210458255.db2.gz ZWZMZRKYCMNPOW-CYBMUJFWSA-N 1 0 329.400 2.500 10 10 EECERO COc1cc(Cl)cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827699477 1248654443 /nfs/dbraw/zinc/65/44/43/1248654443.db2.gz HUQNSBBCKPNFPS-OAHLLOKOSA-N 1 0 340.851 2.085 10 10 EECERO COc1cc(Br)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827291033 1247829042 /nfs/dbraw/zinc/82/90/42/1247829042.db2.gz IWXASNBFJQNRBB-IINYFYTJSA-N 1 0 328.206 2.120 10 10 EECERO COc1cc(Br)cc(C[NH2+][C@H](CO)C2CCC2)c1O ZINC000850350417 1277194144 /nfs/dbraw/zinc/19/41/44/1277194144.db2.gz RHTZKEVGJYRGGW-GFCCVEGCSA-N 1 0 330.222 2.414 10 10 EECERO O=S(=O)(CC[NH2+]Cc1cc(Cl)ccc1O)CC(F)(F)F ZINC000850363810 1277198613 /nfs/dbraw/zinc/19/86/13/1277198613.db2.gz IMDPWCKCPYZCHN-UHFFFAOYSA-N 1 0 331.743 2.112 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3(OC)CCOCC3)C2)cc1 ZINC000850489222 1277241558 /nfs/dbraw/zinc/24/15/58/1277241558.db2.gz WMWFORGMPIWUNE-JKSUJKDBSA-N 1 0 334.460 2.448 10 10 EECERO CCN(CC)c1ccc(CN(C)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000851676700 1277714791 /nfs/dbraw/zinc/71/47/91/1277714791.db2.gz HMXUGRBXPKBNQL-UHFFFAOYSA-N 1 0 330.476 2.426 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCOC2)C2CC2)cc1C ZINC001490639964 1291506436 /nfs/dbraw/zinc/50/64/36/1291506436.db2.gz CEZQHMTUCFQYAI-ROUUACIJSA-N 1 0 346.471 2.415 10 10 EECERO Cc1cc(C(=O)CN2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852537506 1292130364 /nfs/dbraw/zinc/13/03/64/1292130364.db2.gz GNVJVMINNDKZFT-IFXJQAMLSA-N 1 0 343.402 2.268 10 10 EECERO Cc1cc(O)c(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1C ZINC000856534602 1293560319 /nfs/dbraw/zinc/56/03/19/1293560319.db2.gz WGNABEYIZVAFSK-ZWKOTPCHSA-N 1 0 339.439 2.359 10 10 EECERO O=C1OCCN1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858121704 1294012865 /nfs/dbraw/zinc/01/28/65/1294012865.db2.gz FFURSSRJRWIQFZ-UHFFFAOYSA-N 1 0 329.194 2.087 10 10 EECERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858141052 1294019902 /nfs/dbraw/zinc/01/99/02/1294019902.db2.gz IVCMPDXSBUBJOU-ZJUUUORDSA-N 1 0 327.222 2.288 10 10 EECERO CO[C@@H](C[NH2+]Cc1c(O)cccc1Br)[C@H]1CCOC1 ZINC000858186731 1294037204 /nfs/dbraw/zinc/03/72/04/1294037204.db2.gz CIPOJLIBGWNDDF-HZMBPMFUSA-N 1 0 330.222 2.296 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@H]2COCCN2C)c(C(F)(F)F)c1 ZINC000858278190 1294068864 /nfs/dbraw/zinc/06/88/64/1294068864.db2.gz SIXQTGFWZFZOKG-AWEZNQCLSA-N 1 0 331.382 2.192 10 10 EECERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000858306086 1294076899 /nfs/dbraw/zinc/07/68/99/1294076899.db2.gz IJRKMULDADNOQA-GOSISDBHSA-N 1 0 327.428 2.086 10 10 EECERO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858494127 1294133704 /nfs/dbraw/zinc/13/37/04/1294133704.db2.gz DCVKKJXZUUEGII-FXPVBKGRSA-N 1 0 327.222 2.378 10 10 EECERO C[N@H+](Cc1c(O)cccc1Br)[C@@H]1CCN2CCO[C@H]1C2 ZINC000862382537 1295816638 /nfs/dbraw/zinc/81/66/38/1295816638.db2.gz UTWANHMLVHVIIJ-HIFRSBDPSA-N 1 0 341.249 2.060 10 10 EECERO CN(C)c1cc(F)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000862384634 1295818661 /nfs/dbraw/zinc/81/86/61/1295818661.db2.gz FMPJPKPXPUKOEP-SUYBPPKGSA-N 1 0 340.414 2.393 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841828354 1315619220 /nfs/dbraw/zinc/61/92/20/1315619220.db2.gz SRUXKWHMWCSPPQ-LJQANCHMSA-N 1 0 330.476 2.346 10 10 EECERO COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1C ZINC000842720902 1315761947 /nfs/dbraw/zinc/76/19/47/1315761947.db2.gz BQNQFGYGYVLJCS-HNNXBMFYSA-N 1 0 347.436 2.328 10 10 EECERO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265802405 1323388617 /nfs/dbraw/zinc/38/86/17/1323388617.db2.gz JRLDVOJTLFTMHN-UAGQMJEPSA-N 1 0 334.460 2.413 10 10 EECERO CC[C@@H](C[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001283724418 1326220470 /nfs/dbraw/zinc/22/04/70/1326220470.db2.gz SOEFULMZCMPBPA-DOMZBBRYSA-N 1 0 349.435 2.324 10 10 EECERO O=C(NCc1cc(O)ccc1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303223523 1331350515 /nfs/dbraw/zinc/35/05/15/1331350515.db2.gz SVGWMQNPPIBWHO-QGZVFWFLSA-N 1 0 326.396 2.379 10 10 EECERO Cc1ncoc1C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317666179 1332359855 /nfs/dbraw/zinc/35/98/55/1332359855.db2.gz VQTOQNQUEUJVEX-UHFFFAOYSA-N 1 0 344.375 2.007 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cnccn2)C(C)C)cc1C ZINC001319896343 1332793485 /nfs/dbraw/zinc/79/34/85/1332793485.db2.gz NOHYMMRSELWJAZ-INIZCTEOSA-N 1 0 342.443 2.338 10 10 EECERO COc1ccc(C[NH2+][C@@]2(CO)CCCN(C(=O)C3CCC3)C2)cc1C ZINC001327541606 1334312042 /nfs/dbraw/zinc/31/20/42/1334312042.db2.gz QPVLRMOKYSKBBQ-FQEVSTJZSA-N 1 0 346.471 2.247 10 10 EECERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC(C)(C)CS(N)(=O)=O ZINC001329375083 1334636041 /nfs/dbraw/zinc/63/60/41/1334636041.db2.gz IAWQPPPTWLAPAK-NWDGAFQWSA-N 1 0 326.462 2.153 10 10 EECERO COCCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001331944856 1335684385 /nfs/dbraw/zinc/68/43/85/1335684385.db2.gz VVIDAOVCCWPUFV-DOMZBBRYSA-N 1 0 347.419 2.078 10 10 EECERO COCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567386832 1342751019 /nfs/dbraw/zinc/75/10/19/1342751019.db2.gz OIMKVTZFUQILQU-HNNXBMFYSA-N 1 0 347.419 2.080 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CCOCC2)cc1C ZINC001570584900 1343089229 /nfs/dbraw/zinc/08/92/29/1343089229.db2.gz RTKUZMIAVOMACE-LSDHHAIUSA-N 1 0 334.460 2.413 10 10 EECERO CCOc1ccc(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)cc1 ZINC001623430238 1352396840 /nfs/dbraw/zinc/39/68/40/1352396840.db2.gz VZNQGFPLHWRBMO-UHFFFAOYSA-N 1 0 343.471 2.362 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC2CCOCC2)cc1C ZINC001662184854 1354759773 /nfs/dbraw/zinc/75/97/73/1354759773.db2.gz QRFJZAYFGARUPK-OAHLLOKOSA-N 1 0 334.460 2.415 10 10 EECERO CN(CC[NH2+]Cc1ccccn1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001664403134 1355156894 /nfs/dbraw/zinc/15/68/94/1355156894.db2.gz RLOXLNRYBNWWFW-UHFFFAOYSA-N 1 0 340.387 2.106 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cncnc2)cc1C ZINC001668034421 1355853394 /nfs/dbraw/zinc/85/33/94/1355853394.db2.gz LPOIAUZFYGZKNM-CQSZACIVSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cn3c(n2)CCC3)cc1C ZINC001669292376 1356141531 /nfs/dbraw/zinc/14/15/31/1356141531.db2.gz CPDSYWRESYENPI-CQSZACIVSA-N 1 0 342.443 2.054 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2ccnc2C)cc1C ZINC001698859653 1405116002 /nfs/dbraw/zinc/11/60/02/1405116002.db2.gz JPDDSWNTNABRND-OAHLLOKOSA-N 1 0 344.459 2.145 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2c[nH]nc2C)cc1C ZINC001699122588 1405279338 /nfs/dbraw/zinc/27/93/38/1405279338.db2.gz XNJDGGQFSJLLOT-ZDUSSCGKSA-N 1 0 330.432 2.333 10 10 EECERO O=C1[C@@H]([NH2+]Cc2c(O)cccc2Br)CCN1C1CCC1 ZINC000708720638 786857179 /nfs/dbraw/zinc/85/71/79/786857179.db2.gz CBDDYIFOKWUCGD-ZDUSSCGKSA-N 1 0 339.233 2.398 10 10 EECERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000824575879 788221895 /nfs/dbraw/zinc/22/18/95/788221895.db2.gz STOXDRSUNLKNAK-KOLCDFICSA-N 1 0 327.222 2.241 10 10 EECERO COc1cc(CN2CC[NH+](C[C@@H](C)O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824708430 788282821 /nfs/dbraw/zinc/28/28/21/788282821.db2.gz DYKVUGFVNDHPGG-CQSZACIVSA-N 1 0 336.476 2.197 10 10 EECERO CCOCc1cc(C[NH2+]CC(C)(C)CS(C)(=O)=O)ccc1OC ZINC000922736548 801764505 /nfs/dbraw/zinc/76/45/05/801764505.db2.gz AZCZJRPBJGMVEA-UHFFFAOYSA-N 1 0 343.489 2.392 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnccn3)CCC2)cc1C ZINC001501906988 1113518859 /nfs/dbraw/zinc/51/88/59/1113518859.db2.gz HQRBANJAOJPYGS-UHFFFAOYSA-N 1 0 340.427 2.236 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cnnc(C)c2)cc1C ZINC001568268789 1124396194 /nfs/dbraw/zinc/39/61/94/1124396194.db2.gz YSFNXQSRHFSKRF-OAHLLOKOSA-N 1 0 342.443 2.352 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000105206031 529781058 /nfs/dbraw/zinc/78/10/58/529781058.db2.gz ODLBJWNQPCHJPA-OAHLLOKOSA-N 1 0 334.439 2.271 10 10 EECERO CCOCc1cc(C[NH2+]C[C@H]2CCc3nnc(C)n3C2)ccc1OC ZINC000075132778 202374485 /nfs/dbraw/zinc/37/44/85/202374485.db2.gz FUJWPBKQRODULH-MRXNPFEDSA-N 1 0 344.459 2.484 10 10 EECERO CCOCc1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)ccc1OC ZINC000171646059 463899071 /nfs/dbraw/zinc/89/90/71/463899071.db2.gz PROGIRUETTWXSB-GOSISDBHSA-N 1 0 334.460 2.185 10 10 EECERO CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H](C)C1 ZINC000278229515 463958259 /nfs/dbraw/zinc/95/82/59/463958259.db2.gz MOGSSKGQTPZUMS-JSGCOSHPSA-N 1 0 337.420 2.471 10 10 EECERO COC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000271773323 464380095 /nfs/dbraw/zinc/38/00/95/464380095.db2.gz BYQNKJGOTUPMEC-AWEZNQCLSA-N 1 0 332.238 2.340 10 10 EECERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000246446909 464587143 /nfs/dbraw/zinc/58/71/43/464587143.db2.gz OXTDLKOAAOGJRC-KSSFIOAISA-N 1 0 341.459 2.332 10 10 EECERO CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[N@@H+]1C[C@@H](C)O ZINC000175646291 464595527 /nfs/dbraw/zinc/59/55/27/464595527.db2.gz HFJXQNHSHWZIHS-WBMJQRKESA-N 1 0 338.423 2.011 10 10 EECERO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000252517195 464978179 /nfs/dbraw/zinc/97/81/79/464978179.db2.gz BWAFDHJIZGZBBQ-HZPDHXFCSA-N 1 0 340.489 2.153 10 10 EECERO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000369514854 466735762 /nfs/dbraw/zinc/73/57/62/466735762.db2.gz FEAQLYQLBWKKFC-UHFFFAOYSA-N 1 0 325.412 2.182 10 10 EECERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000774677438 577410435 /nfs/dbraw/zinc/41/04/35/577410435.db2.gz DLJVXHNABSIBGU-GJZGRUSLSA-N 1 0 344.411 2.483 10 10 EECERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000774688906 577411253 /nfs/dbraw/zinc/41/12/53/577411253.db2.gz LBWMFTXKBKRXGH-GJZGRUSLSA-N 1 0 337.416 2.252 10 10 EECERO Cc1cc(N(C)C)ccc1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000775011923 577426372 /nfs/dbraw/zinc/42/63/72/577426372.db2.gz MEGGOWWYXYLXAT-UHFFFAOYSA-N 1 0 337.423 2.447 10 10 EECERO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Br)ccc1O ZINC000756490573 577844967 /nfs/dbraw/zinc/84/49/67/577844967.db2.gz WITZBVUVWLNUDJ-VHSXEESVSA-N 1 0 325.210 2.486 10 10 EECERO COc1cc(C)cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1O ZINC000895677693 684678711 /nfs/dbraw/zinc/67/87/11/684678711.db2.gz PTJPRXHLRHGIIT-SNVBAGLBSA-N 1 0 329.265 2.357 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2c(C)noc2C)cc1C ZINC001266994532 1178052730 /nfs/dbraw/zinc/05/27/30/1178052730.db2.gz WEHJTNJGJPLLLZ-CYBMUJFWSA-N 1 0 345.443 2.445 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccnc(F)c2)cc1C ZINC001268638894 1183568585 /nfs/dbraw/zinc/56/85/85/1183568585.db2.gz CBCLWRRKTVANMY-CYBMUJFWSA-N 1 0 331.391 2.446 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2cnc(C)o2)cc1C ZINC001268691082 1183614491 /nfs/dbraw/zinc/61/44/91/1183614491.db2.gz KGIYEWRTLIRBAB-ZDUSSCGKSA-N 1 0 331.416 2.137 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCO[C@@H]2C)cc1C ZINC001268893609 1183797601 /nfs/dbraw/zinc/79/76/01/1183797601.db2.gz CREXNWDEYXCZKO-NVXWUHKLSA-N 1 0 334.460 2.367 10 10 EECERO COc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001483001772 1187983306 /nfs/dbraw/zinc/98/33/06/1187983306.db2.gz XKQVSENKAAFDFV-PLNGDYQASA-N 1 0 345.399 2.076 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)C2CCOCC2)cc1C ZINC001483449260 1190483767 /nfs/dbraw/zinc/48/37/67/1190483767.db2.gz SIWTZFDKJRTYAW-UHFFFAOYSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H](C)OC)C2)cc1C ZINC001484510764 1191389358 /nfs/dbraw/zinc/38/93/58/1191389358.db2.gz SYDINDLCMAMLTR-HZPDHXFCSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)C2)cc1 ZINC000872210372 1198088567 /nfs/dbraw/zinc/08/85/67/1198088567.db2.gz XEXGMBJAAIMLCX-XFQXTVEOSA-N 1 0 348.487 2.023 10 10 EECERO COc1ccc(N2CCN(CCC[NH2+]Cc3cc(C)no3)CC2)cc1 ZINC000865405324 1198199046 /nfs/dbraw/zinc/19/90/46/1198199046.db2.gz GNDGMCQQOOVYQH-UHFFFAOYSA-N 1 0 344.459 2.294 10 10 EECERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1O ZINC000826131676 1201307126 /nfs/dbraw/zinc/30/71/26/1201307126.db2.gz XGEXTXJKZPYSJP-NWDGAFQWSA-N 1 0 343.265 2.042 10 10 EECERO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c1O ZINC000866520233 1201538997 /nfs/dbraw/zinc/53/89/97/1201538997.db2.gz DUDGULUSABZPJQ-BDJLRTHQSA-N 1 0 340.807 2.226 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2[nH]cnc2C)cc1C ZINC001274841702 1205187207 /nfs/dbraw/zinc/18/72/07/1205187207.db2.gz YKFHMXXCHGBTAB-ZDUSSCGKSA-N 1 0 330.432 2.333 10 10 EECERO Cc1ccc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c(O)c1O ZINC000928836253 1206426030 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EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C2)cc1 ZINC000852843532 1292213614 /nfs/dbraw/zinc/21/36/14/1292213614.db2.gz ALJLZWYCGPWKLB-UCLAIMLFSA-N 1 0 331.460 2.298 10 10 EECERO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 ZINC000857068286 1293712577 /nfs/dbraw/zinc/71/25/77/1293712577.db2.gz YWTUOQQQOMHHSD-UHFFFAOYSA-N 1 0 343.402 2.261 10 10 EECERO Cc1cc(C2([NH2+]Cc3cc4c(cc3O)OCO4)CCOCC2)on1 ZINC000858325772 1294084117 /nfs/dbraw/zinc/08/41/17/1294084117.db2.gz LGZJNKJZUWCFBP-UHFFFAOYSA-N 1 0 332.356 2.213 10 10 EECERO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000861684428 1295504824 /nfs/dbraw/zinc/50/48/24/1295504824.db2.gz DHDGTZXPZSKYEY-HZPDHXFCSA-N 1 0 346.475 2.057 10 10 EECERO C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C[NH2+]1 ZINC000861691776 1295508222 /nfs/dbraw/zinc/50/82/22/1295508222.db2.gz ZBNMVPMNWVGREU-GXSJLCMTSA-N 1 0 342.237 2.094 10 10 EECERO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000694752651 1304134879 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CCc1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n(C)n1 ZINC001491617083 1330185357 /nfs/dbraw/zinc/18/53/57/1330185357.db2.gz CWVWHKPSTVWQLF-CQSZACIVSA-N 1 0 344.459 2.208 10 10 EECERO O=C(NCc1c(O)cccc1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001304049631 1331374920 /nfs/dbraw/zinc/37/49/20/1331374920.db2.gz AYHDLAQRRINCDE-INIZCTEOSA-N 1 0 326.396 2.379 10 10 EECERO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC001324848697 1333772553 /nfs/dbraw/zinc/77/25/53/1333772553.db2.gz GNSNWQNLJAREJS-ZYOFXKKJSA-N 1 0 329.366 2.422 10 10 EECERO CCOc1ccc(N2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)cc1 ZINC001331929933 1335679026 /nfs/dbraw/zinc/67/90/26/1335679026.db2.gz XBFJXVHVZKYDRC-FQEVSTJZSA-N 1 0 343.471 2.220 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)C2)cc1 ZINC001332342768 1335806916 /nfs/dbraw/zinc/80/69/16/1335806916.db2.gz WMNWXEALTVCVDO-FZMZJTMJSA-N 1 0 335.383 2.307 10 10 EECERO C[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001300206862 1338191807 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10 10 EECERO COC(=O)N(C)CC[N@H+](C)Cc1cc(Br)ccc1O ZINC000690814073 768816663 /nfs/dbraw/zinc/81/66/63/768816663.db2.gz BWUXZWKLXCBCBZ-UHFFFAOYSA-N 1 0 331.210 2.285 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@H](O)CCC3(O)CCC3)CC2)cc1 ZINC000905914863 783571754 /nfs/dbraw/zinc/57/17/54/783571754.db2.gz LHQFVLIYAUINFS-GOSISDBHSA-N 1 0 348.487 2.263 10 10 EECERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816608990 784148993 /nfs/dbraw/zinc/14/89/93/784148993.db2.gz PCIJUQCSWOGTPG-MRXNPFEDSA-N 1 0 348.468 2.449 10 10 EECERO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000922996136 788523092 /nfs/dbraw/zinc/52/30/92/788523092.db2.gz JVORJSWCNKUQKM-INIZCTEOSA-N 1 0 325.460 2.453 10 10 EECERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825297770 788555427 /nfs/dbraw/zinc/55/54/27/788555427.db2.gz MYNPXMKABTWSIP-SKDRFNHKSA-N 1 0 327.222 2.288 10 10 EECERO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000844175373 788887405 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CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000788542985 807567672 /nfs/dbraw/zinc/56/76/72/807567672.db2.gz QOJUJTHBZOOPKZ-INIZCTEOSA-N 1 0 331.489 2.400 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001441914677 1096092260 /nfs/dbraw/zinc/09/22/60/1096092260.db2.gz MAZYZOVBTFSBEV-KRWDZBQOSA-N 1 0 347.503 2.458 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)nnc2C)cc1C ZINC001480466952 1100273294 /nfs/dbraw/zinc/27/32/94/1100273294.db2.gz BHOYCSIFRUQUOI-CQSZACIVSA-N 1 0 342.443 2.319 10 10 EECERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]Cc1ccccn1 ZINC001480600869 1106744137 /nfs/dbraw/zinc/74/41/37/1106744137.db2.gz HSQRNIMHZPTKJO-GFCCVEGCSA-N 1 0 340.387 2.152 10 10 EECERO CCn1nccc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498034676 1106814968 /nfs/dbraw/zinc/81/49/68/1106814968.db2.gz KJHODJFNCDDFRI-AWEZNQCLSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cccnc2OC)cc1C ZINC001498107005 1106930145 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2.179 10 10 EECERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)ccc2O)C[C@H]1C ZINC000245705962 464507701 /nfs/dbraw/zinc/50/77/01/464507701.db2.gz FACJTOGEKGVRSM-NEPJUHHUSA-N 1 0 343.265 2.042 10 10 EECERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(O)c1O ZINC000248708913 464790001 /nfs/dbraw/zinc/79/00/01/464790001.db2.gz BMNLILFMLWPONB-XJKSGUPXSA-N 1 0 341.411 2.133 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C)COC2)C1 ZINC000634191841 470229879 /nfs/dbraw/zinc/22/98/79/470229879.db2.gz PZRPRTANDOFLPR-UHFFFAOYSA-N 1 0 341.455 2.313 10 10 EECERO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)[C@@H](C)[NH3+])CCCC1 ZINC000653144195 471506610 /nfs/dbraw/zinc/50/66/10/471506610.db2.gz GYCLBAUPYUBMDH-CHWSQXEVSA-N 1 0 329.444 2.381 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)C3=COCCC3)cc2F)CC1 ZINC000107479277 529152939 /nfs/dbraw/zinc/15/29/39/529152939.db2.gz JZXAVUZDHDEHDN-UHFFFAOYSA-N 1 0 347.434 2.278 10 10 EECERO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000766093537 577512797 /nfs/dbraw/zinc/51/27/97/577512797.db2.gz HKCLROJHJKTXKA-ZBFHGGJFSA-N 1 0 331.460 2.298 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](Cn3cccn3)C1)CCCC2 ZINC000160261062 675211157 /nfs/dbraw/zinc/21/11/57/675211157.db2.gz MABONFFBOYANMK-SFHVURJKSA-N 1 0 327.428 2.369 10 10 EECERO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000327749473 682253002 /nfs/dbraw/zinc/25/30/02/682253002.db2.gz KTNWANDLVJNNIR-KRWDZBQOSA-N 1 0 349.450 2.057 10 10 EECERO Cc1cc(O)c(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000840887106 682271286 /nfs/dbraw/zinc/27/12/86/682271286.db2.gz ISPNJMBIYYCJBS-UHFFFAOYSA-N 1 0 346.880 2.115 10 10 EECERO COC(=O)c1c(C[N@H+](C)C[C@H](O)C2CC2)c2cc(F)ccc2n1C ZINC000894776656 683083323 /nfs/dbraw/zinc/08/33/23/683083323.db2.gz JDGLGHUWXYSBGL-INIZCTEOSA-N 1 0 334.391 2.307 10 10 EECERO CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819646 1180579159 /nfs/dbraw/zinc/57/91/59/1180579159.db2.gz HAPVTZAKESQIFL-CRAIPNDOSA-N 1 0 347.503 2.330 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCO2)C2CC2)cc1C ZINC001269039044 1183912274 /nfs/dbraw/zinc/91/22/74/1183912274.db2.gz NVYXXEKJVQWDIP-SJLPKXTDSA-N 1 0 332.444 2.167 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCOC2)cc1C ZINC001482263805 1184836277 /nfs/dbraw/zinc/83/62/77/1184836277.db2.gz BIVBAYCPTXBVIL-RDJZCZTQSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cccn2C)cc1C ZINC001482983331 1187937414 /nfs/dbraw/zinc/93/74/14/1187937414.db2.gz BZGQLLQCVQGJLE-SNAWJCMRSA-N 1 0 327.428 2.418 10 10 EECERO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000864932105 1198004115 /nfs/dbraw/zinc/00/41/15/1198004115.db2.gz SJSGPDDNUHGAFW-DOTOQJQBSA-N 1 0 349.450 2.009 10 10 EECERO CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000872147173 1198055158 /nfs/dbraw/zinc/05/51/58/1198055158.db2.gz FGUJBWAEFPNKMO-MFKMUULPSA-N 1 0 334.313 2.303 10 10 EECERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000813854935 1199188919 /nfs/dbraw/zinc/18/89/19/1199188919.db2.gz IEYBGWXVFVNUCB-INIZCTEOSA-N 1 0 333.501 2.387 10 10 EECERO COc1cc(Br)cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1O ZINC000814173615 1199326379 /nfs/dbraw/zinc/32/63/79/1199326379.db2.gz NMNZYQFJWHEFLW-MFKMUULPSA-N 1 0 341.249 2.299 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(C)n[nH]2)cc1C ZINC001274682191 1205129844 /nfs/dbraw/zinc/12/98/44/1205129844.db2.gz MOPIESQSOFSPJK-ZDUSSCGKSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccnc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001275259452 1205292147 /nfs/dbraw/zinc/29/21/47/1205292147.db2.gz VJSMTSJOHVMATD-AWEZNQCLSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2cnc(C)o2)cc1C ZINC001276048015 1205750957 /nfs/dbraw/zinc/75/09/57/1205750957.db2.gz LAGQJUMKWAOUNS-UHFFFAOYSA-N 1 0 345.443 2.481 10 10 EECERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@]2(OC)CCSC2)c1 ZINC000903315239 1240233509 /nfs/dbraw/zinc/23/35/09/1240233509.db2.gz VCDBKRSGGYOSKI-MEDUHNTESA-N 1 0 325.430 2.352 10 10 EECERO CC[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000850322671 1277169474 /nfs/dbraw/zinc/16/94/74/1277169474.db2.gz CTFHYTACWGEETQ-KBPBESRZSA-N 1 0 326.387 2.459 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H]2COCCN2C)c(C(F)(F)F)c1 ZINC000858278196 1294069291 /nfs/dbraw/zinc/06/92/91/1294069291.db2.gz SIXQTGFWZFZOKG-CQSZACIVSA-N 1 0 331.382 2.192 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)C34CC(C3)C4)cc2F)CC1 ZINC000859261404 1294367963 /nfs/dbraw/zinc/36/79/63/1294367963.db2.gz NLTALBFDCVIBSQ-UHFFFAOYSA-N 1 0 331.435 2.384 10 10 EECERO COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1C ZINC000842720903 1315761674 /nfs/dbraw/zinc/76/16/74/1315761674.db2.gz BQNQFGYGYVLJCS-OAHLLOKOSA-N 1 0 347.436 2.328 10 10 EECERO CSC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC[NH+](C)CC1 ZINC001160468044 1320170868 /nfs/dbraw/zinc/17/08/68/1320170868.db2.gz GAYOFHSVSVMTLJ-UHFFFAOYSA-N 1 0 349.460 2.406 10 10 EECERO COCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265549299 1323214520 /nfs/dbraw/zinc/21/45/20/1323214520.db2.gz FXZGBCATTAWUAF-IYBDPMFKSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@]2(C)CCCOC2)cc1C ZINC001317644836 1332345542 /nfs/dbraw/zinc/34/55/42/1332345542.db2.gz CAFXYOURKSRCDN-LJQANCHMSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC001330107596 1334780161 /nfs/dbraw/zinc/78/01/61/1334780161.db2.gz GJYFOEINXGZESO-UHFFFAOYSA-N 1 0 345.418 2.398 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2conc2C)cc1C ZINC001698765532 1405050084 /nfs/dbraw/zinc/05/00/84/1405050084.db2.gz NXTBXXUFGMXPEM-LBPRGKRZSA-N 1 0 331.416 2.456 10 10 EECERO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1 ZINC000237605989 774019773 /nfs/dbraw/zinc/01/97/73/774019773.db2.gz RUFGEXDLJVUOLB-HNNXBMFYSA-N 1 0 339.439 2.473 10 10 EECERO COC(=O)/C=C/c1ccc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000819952775 785737568 /nfs/dbraw/zinc/73/75/68/785737568.db2.gz GAUAHMYJCLCQKS-KLYJYZACSA-N 1 0 345.399 2.311 10 10 EECERO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)[C@@]1(O)CCOC1 ZINC000842758269 787052474 /nfs/dbraw/zinc/05/24/74/787052474.db2.gz IRWSDTDEBTUSJO-OAHLLOKOSA-N 1 0 344.249 2.422 10 10 EECERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000824575880 788221762 /nfs/dbraw/zinc/22/17/62/788221762.db2.gz STOXDRSUNLKNAK-MWLCHTKSSA-N 1 0 327.222 2.241 10 10 EECERO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@]2(C)C1 ZINC000913273815 788749234 /nfs/dbraw/zinc/74/92/34/788749234.db2.gz HJXGZLGKFORKEF-IAGOWNOFSA-N 1 0 329.404 2.263 10 10 EECERO CCC/C=C\[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001180180023 800288391 /nfs/dbraw/zinc/28/83/91/800288391.db2.gz TVDVDCDYVSFGLI-VTFYZGIISA-N 1 0 333.476 2.189 10 10 EECERO CCO[C@@H](CNCc1c(O)cccc1Br)C[NH+](C)C ZINC000922755324 801822638 /nfs/dbraw/zinc/82/26/38/801822638.db2.gz BFVSOFOOUQWCNR-NSHDSACASA-N 1 0 331.254 2.211 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C)cc2=O ZINC000789450776 808015338 /nfs/dbraw/zinc/01/53/38/808015338.db2.gz HFDKRWVFMSSLGG-FRRDWIJNSA-N 1 0 346.431 2.478 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC001466151103 1110430859 /nfs/dbraw/zinc/43/08/59/1110430859.db2.gz LBPAHBUTUNJHCG-AWEZNQCLSA-N 1 0 338.371 2.253 10 10 EECERO C[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1O ZINC001473722766 1110579315 /nfs/dbraw/zinc/57/93/15/1110579315.db2.gz NOZZPQAYFIWOPG-GFCCVEGCSA-N 1 0 325.368 2.028 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CCOC2)cc1C ZINC001507058355 1115086515 /nfs/dbraw/zinc/08/65/15/1115086515.db2.gz HECZYTHHWFUGNP-NVXWUHKLSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2CC=CCC2)cc1C ZINC001507222797 1115155015 /nfs/dbraw/zinc/15/50/15/1115155015.db2.gz SMKPCTDWJFQMRW-WMZOPIPTSA-N 1 0 346.471 2.317 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cnnc(C)c2)cc1C ZINC001568625721 1124641998 /nfs/dbraw/zinc/64/19/98/1124641998.db2.gz DHGJOKHZEHJYQO-CQSZACIVSA-N 1 0 342.443 2.400 10 10 EECERO CCOc1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001568999277 1125030880 /nfs/dbraw/zinc/03/08/80/1125030880.db2.gz LYCRSUCXTFHWNE-CYBMUJFWSA-N 1 0 346.431 2.034 10 10 EECERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000185502905 463835134 /nfs/dbraw/zinc/83/51/34/463835134.db2.gz SWIXCRPMKDGVMH-ONGXEEELSA-N 1 0 327.222 2.426 10 10 EECERO COCCOC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC000294794059 464606063 /nfs/dbraw/zinc/60/60/63/464606063.db2.gz MEVGLKWYXCKEFQ-UHFFFAOYSA-N 1 0 347.814 2.487 10 10 EECERO CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000282853508 464975141 /nfs/dbraw/zinc/97/51/41/464975141.db2.gz PRASFNAJFKDIJP-QAPCUYQASA-N 1 0 335.444 2.448 10 10 EECERO COc1cccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1O ZINC000375841470 466879483 /nfs/dbraw/zinc/87/94/83/466879483.db2.gz NUUDHMDKQQKVDO-UHFFFAOYSA-N 1 0 328.416 2.318 10 10 EECERO CCN(CC)c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000731451135 577102448 /nfs/dbraw/zinc/10/24/48/577102448.db2.gz VPFIFWRWFXJZCJ-UHFFFAOYSA-N 1 0 339.505 2.048 10 10 EECERO COc1ccc(N2CCC([NH2+][C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)CC2)cc1 ZINC000773035343 577311725 /nfs/dbraw/zinc/31/17/25/577311725.db2.gz WUMXEKPFRRXOJX-ZSZQSSIHSA-N 1 0 343.471 2.263 10 10 EECERO COC(=O)c1c(C[NH2+]CCc2cn(C)cn2)c2cc(F)ccc2n1C ZINC000894980104 683449161 /nfs/dbraw/zinc/44/91/61/683449161.db2.gz JYBCHZARLLDUQL-UHFFFAOYSA-N 1 0 344.390 2.170 10 10 EECERO COC(=O)c1c(C[N@H+](C[C@@H](C)O)C2CC2)c2cc(F)ccc2n1C ZINC000895192147 684267439 /nfs/dbraw/zinc/26/74/39/684267439.db2.gz CCLZMDXSDIIMMS-LLVKDONJSA-N 1 0 334.391 2.449 10 10 EECERO COc1c(O)c(CN2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000895669658 684681332 /nfs/dbraw/zinc/68/13/32/684681332.db2.gz AKFXYDYAFPCGTO-UHFFFAOYSA-N 1 0 335.404 2.369 10 10 EECERO CC[C@@H](OC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691135058 1177624310 /nfs/dbraw/zinc/62/43/10/1177624310.db2.gz DKGPBTAOKWDNLU-BRWVUGGUSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)cc1C ZINC001268374597 1182383544 /nfs/dbraw/zinc/38/35/44/1182383544.db2.gz IHGQFYOQRRUUSI-GFCCVEGCSA-N 1 0 346.431 2.039 10 10 EECERO COCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481754232 1182554779 /nfs/dbraw/zinc/55/47/79/1182554779.db2.gz KUHSHOVISLZQBP-HNNXBMFYSA-N 1 0 347.419 2.032 10 10 EECERO C[NH+]1CCC(CNC(=O)c2cccc(O)c2O)(c2ccccc2)CC1 ZINC000870189866 1200544548 /nfs/dbraw/zinc/54/45/48/1200544548.db2.gz VMJJPDAMDWXGOA-UHFFFAOYSA-N 1 0 340.423 2.491 10 10 EECERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccccc1O ZINC000866492423 1201530576 /nfs/dbraw/zinc/53/05/76/1201530576.db2.gz OPCPRNISAQXRSS-APHBMKBZSA-N 1 0 338.473 2.436 10 10 EECERO CCC[NH2+]CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCOCC1 ZINC001274020689 1204328807 /nfs/dbraw/zinc/32/88/07/1204328807.db2.gz FMXCYDIEEOLDAJ-UHFFFAOYSA-N 1 0 347.419 2.128 10 10 EECERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092510163 1214561891 /nfs/dbraw/zinc/56/18/91/1214561891.db2.gz JNUFREPIDMCVJY-IBGZPJMESA-N 1 0 345.487 2.356 10 10 EECERO CCCCN(Cc1ccccc1O)C(=O)CN1CC[NH+](CC)CC1 ZINC000801550218 1235819595 /nfs/dbraw/zinc/81/95/95/1235819595.db2.gz RUULLWQRUKSMDA-UHFFFAOYSA-N 1 0 333.476 2.158 10 10 EECERO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(N2CCCCC2)cc1 ZINC000903285436 1240174336 /nfs/dbraw/zinc/17/43/36/1240174336.db2.gz KGKSZMXXZRKUAL-PXNSSMCTSA-N 1 0 347.503 2.021 10 10 EECERO COc1cc(C[NH2+][C@@H](CO)c2ccnn2C)c(O)c(C(C)(C)C)c1 ZINC000850325241 1277172031 /nfs/dbraw/zinc/17/20/31/1277172031.db2.gz YGRBQEHUUQDOIU-HNNXBMFYSA-N 1 0 333.432 2.255 10 10 EECERO COC[C@@H](CC[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000850345198 1277191204 /nfs/dbraw/zinc/19/12/04/1277191204.db2.gz OERHGPGXNOYYEZ-GFCCVEGCSA-N 1 0 348.237 2.304 10 10 EECERO CCOc1ccc(O)c(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850352809 1277196286 /nfs/dbraw/zinc/19/62/86/1277196286.db2.gz IRXOQEDNZKXNJM-INIZCTEOSA-N 1 0 326.396 2.468 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)c1O ZINC000850492886 1277245813 /nfs/dbraw/zinc/24/58/13/1277245813.db2.gz GWMLKZKDCHSQMQ-AOUSDQRYSA-N 1 0 325.352 2.362 10 10 EECERO CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1O ZINC000858465950 1294124305 /nfs/dbraw/zinc/12/43/05/1294124305.db2.gz RJAAFOZQGMRJPD-LPHOPBHVSA-N 1 0 334.460 2.049 10 10 EECERO CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(C)cc1O ZINC000858465375 1294124326 /nfs/dbraw/zinc/12/43/26/1294124326.db2.gz FBRHPPFAUZTREJ-PXNSSMCTSA-N 1 0 348.487 2.357 10 10 EECERO C[C@@H]([NH2+]CCOC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000859229774 1294355831 /nfs/dbraw/zinc/35/58/31/1294355831.db2.gz MAYYSDRZHPQVIK-MRXNPFEDSA-N 1 0 334.460 2.369 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000861572508 1295460204 /nfs/dbraw/zinc/46/02/04/1295460204.db2.gz ROBJPISSMNQTMN-GDBMZVCRSA-N 1 0 346.475 2.104 10 10 EECERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000862551479 1295878015 /nfs/dbraw/zinc/87/80/15/1295878015.db2.gz NJRNEWREJAUAEI-AWEZNQCLSA-N 1 0 348.468 2.307 10 10 EECERO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926872421 1296946399 /nfs/dbraw/zinc/94/63/99/1296946399.db2.gz GKIHXXDVGGTJMD-QWHZDKJVSA-N 1 0 345.487 2.149 10 10 EECERO O=S1(=O)C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)Oc2ccccc21 ZINC000842883525 1315790850 /nfs/dbraw/zinc/79/08/50/1315790850.db2.gz KAAGOMZEJOQGJW-KBPBESRZSA-N 1 0 345.420 2.204 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)CC[NH+](C)C)C2)cc1 ZINC001299769575 1330167049 /nfs/dbraw/zinc/16/70/49/1330167049.db2.gz DPYYWOIUPWFHQX-HZPDHXFCSA-N 1 0 333.476 2.226 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cn2cc(C)cn2)cc1C ZINC001317387097 1332210380 /nfs/dbraw/zinc/21/03/80/1332210380.db2.gz HHYUZFPOMRHVRU-MRXNPFEDSA-N 1 0 344.459 2.193 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001321089264 1333016734 /nfs/dbraw/zinc/01/67/34/1333016734.db2.gz ANYMSSDIEADGOZ-AATRIKPKSA-N 1 0 345.487 2.250 10 10 EECERO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC001325318644 1333862672 /nfs/dbraw/zinc/86/26/72/1333862672.db2.gz IXJMQHAVPIEKNS-LAQIPUCWSA-N 1 0 325.460 2.368 10 10 EECERO COCC1(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001331502214 1335023842 /nfs/dbraw/zinc/02/38/42/1335023842.db2.gz DEKSLOFDOLDPJC-OAHLLOKOSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc(C)cn2)cc1C ZINC001666865193 1355605051 /nfs/dbraw/zinc/60/50/51/1355605051.db2.gz QKOYRNKIJRCJBZ-MRXNPFEDSA-N 1 0 344.459 2.145 10 10 EECERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001136319923 785842153 /nfs/dbraw/zinc/84/21/53/785842153.db2.gz ZRQLNGZEAVQLCJ-OAHLLOKOSA-N 1 0 332.375 2.199 10 10 EECERO CCOc1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000824517109 788198772 /nfs/dbraw/zinc/19/87/72/788198772.db2.gz PUQOGIQZDTYXQY-AWEZNQCLSA-N 1 0 347.436 2.452 10 10 EECERO COc1cccc(O)c1CNCc1nn(C)cc1Br ZINC000824780594 788298948 /nfs/dbraw/zinc/29/89/48/788298948.db2.gz VUDRWPPMMBBTBJ-UHFFFAOYSA-N 1 0 326.194 2.187 10 10 EECERO CCO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C[NH3+] ZINC000846226015 790094250 /nfs/dbraw/zinc/09/42/50/790094250.db2.gz WMBQDBHZHULCDN-IUODEOHRSA-N 1 0 326.824 2.044 10 10 EECERO OCC[C@@]1(C[NH2+]Cc2c(O)cccc2Br)CCOC1 ZINC001118855386 797483668 /nfs/dbraw/zinc/48/36/68/797483668.db2.gz HATSIXNTHWHGEK-AWEZNQCLSA-N 1 0 330.222 2.033 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2ccnc2)cc1C ZINC001480547364 1100380878 /nfs/dbraw/zinc/38/08/78/1100380878.db2.gz ZRUGCATWCDRQQC-CVEARBPZSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001497151856 1102036815 /nfs/dbraw/zinc/03/68/15/1102036815.db2.gz UTERLEDYPBWUNN-CYBMUJFWSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](OC)C3CC3)C2)cc1C ZINC001506883224 1114949076 /nfs/dbraw/zinc/94/90/76/1114949076.db2.gz VMCVBHDPWQCQCG-IEZWGBDMSA-N 1 0 346.471 2.413 10 10 EECERO C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001507299266 1115180397 /nfs/dbraw/zinc/18/03/97/1115180397.db2.gz UIGYDAQGBPHGOZ-SMDDNHRTSA-N 1 0 335.383 2.401 10 10 EECERO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(O)c1C ZINC000527954516 317292109 /nfs/dbraw/zinc/29/21/09/317292109.db2.gz LRLZLENBZUIEKW-OXQOHEQNSA-N 1 0 348.487 2.275 10 10 EECERO CCOc1cccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1O ZINC000184766212 465024616 /nfs/dbraw/zinc/02/46/16/465024616.db2.gz LTOXRZVTCPHACZ-UHFFFAOYSA-N 1 0 328.416 2.212 10 10 EECERO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000048711438 462933758 /nfs/dbraw/zinc/93/37/58/462933758.db2.gz CRRVWGKXUAUYTJ-UHFFFAOYSA-N 1 0 326.444 2.274 10 10 EECERO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000042799475 463598278 /nfs/dbraw/zinc/59/82/78/463598278.db2.gz MMQVEHULXZYQJK-UHFFFAOYSA-N 1 0 343.471 2.014 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)OC)cc2F)CC1 ZINC000170968493 463752681 /nfs/dbraw/zinc/75/26/81/463752681.db2.gz FWVYOBMOLOPJPA-UHFFFAOYSA-N 1 0 337.439 2.009 10 10 EECERO C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1(C)C ZINC000294718486 464584484 /nfs/dbraw/zinc/58/44/84/464584484.db2.gz PGKXIYROMLGRFY-UHFFFAOYSA-N 1 0 329.847 2.300 10 10 EECERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000282927205 465004578 /nfs/dbraw/zinc/00/45/78/465004578.db2.gz FPVKNFPUXRVCAO-MRXNPFEDSA-N 1 0 344.386 2.301 10 10 EECERO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000361390323 465955830 /nfs/dbraw/zinc/95/58/30/465955830.db2.gz MVEGNHBWYUXFIW-JIMOISOXSA-N 1 0 339.233 2.254 10 10 EECERO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301704004 466014659 /nfs/dbraw/zinc/01/46/59/466014659.db2.gz UXCDIUIFRUIIDJ-GFCCVEGCSA-N 1 0 348.403 2.236 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933688917 676831416 /nfs/dbraw/zinc/83/14/16/676831416.db2.gz NDWNCDOSQCUPLI-PMACEKPBSA-N 1 0 346.471 2.293 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)cc1 ZINC000895809909 684727789 /nfs/dbraw/zinc/72/77/89/684727789.db2.gz UPQBYHBFWMCRGJ-FQEVSTJZSA-N 1 0 343.471 2.220 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cnc(C)cn2)cc1C ZINC001483450930 1190484061 /nfs/dbraw/zinc/48/40/61/1190484061.db2.gz QQVHOUOKIDGMTF-UHFFFAOYSA-N 1 0 342.443 2.354 10 10 EECERO COCC[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCOC1 ZINC000825725820 1198883901 /nfs/dbraw/zinc/88/39/01/1198883901.db2.gz ATQVWEYOXRQWMD-ZDUSSCGKSA-N 1 0 330.222 2.392 10 10 EECERO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653926 1201196075 /nfs/dbraw/zinc/19/60/75/1201196075.db2.gz YJGLBXHOJCZAAN-KBXCAEBGSA-N 1 0 340.423 2.359 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)c1 ZINC000866437151 1201517180 /nfs/dbraw/zinc/51/71/80/1201517180.db2.gz ABMUFAZTZRLCNL-LBPRGKRZSA-N 1 0 325.405 2.410 10 10 EECERO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc2c(cc1O)CCCC2 ZINC000866522034 1201539951 /nfs/dbraw/zinc/53/99/51/1201539951.db2.gz SBXVJZCIRCNCOJ-DJJJIMSYSA-N 1 0 346.427 2.143 10 10 EECERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1 ZINC000866523702 1201540640 /nfs/dbraw/zinc/54/06/40/1201540640.db2.gz GAOACOXGXDPLHV-KBXCAEBGSA-N 1 0 333.432 2.015 10 10 EECERO CCn1cnc(C(=O)NC/C=C\C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001274511228 1205063676 /nfs/dbraw/zinc/06/36/76/1205063676.db2.gz OPQRGHGUULOAIO-WAYWQWQTSA-N 1 0 342.443 2.296 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000926680859 1206237104 /nfs/dbraw/zinc/23/71/04/1206237104.db2.gz STKXWAIJHFVIGY-CRAIPNDOSA-N 1 0 332.444 2.202 10 10 EECERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000778165561 1207760174 /nfs/dbraw/zinc/76/01/74/1207760174.db2.gz SGZJUZRHNKOQFL-MRXNPFEDSA-N 1 0 347.484 2.062 10 10 EECERO CC(=O)c1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000796577407 1221421417 /nfs/dbraw/zinc/42/14/17/1221421417.db2.gz FZQDUDNTLXWJPC-IAQYHMDHSA-N 1 0 327.808 2.220 10 10 EECERO CCOC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850347656 1277191479 /nfs/dbraw/zinc/19/14/79/1277191479.db2.gz VMHYAEFXCNYHTM-MRXNPFEDSA-N 1 0 347.459 2.484 10 10 EECERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000850353870 1277196190 /nfs/dbraw/zinc/19/61/90/1277196190.db2.gz OSUBXAUDZQVRRA-DFQSSKMNSA-N 1 0 348.487 2.179 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677513 1277715209 /nfs/dbraw/zinc/71/52/09/1277715209.db2.gz RMTOGGFPHAGTDU-UHFFFAOYSA-N 1 0 330.476 2.425 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C2)cc1 ZINC000852843531 1292213444 /nfs/dbraw/zinc/21/34/44/1292213444.db2.gz ALJLZWYCGPWKLB-POZUXBRTSA-N 1 0 331.460 2.298 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccccc1O ZINC000858565347 1294155755 /nfs/dbraw/zinc/15/57/55/1294155755.db2.gz MXMDREHKPHYKTN-DOTOQJQBSA-N 1 0 327.428 2.339 10 10 EECERO CO[C@@]1(CO)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862410083 1295835338 /nfs/dbraw/zinc/83/53/38/1295835338.db2.gz LYXLLIDMMRBDEB-AWEZNQCLSA-N 1 0 330.222 2.128 10 10 EECERO CCN(CC[NH3+])CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000863552000 1296332008 /nfs/dbraw/zinc/33/20/08/1296332008.db2.gz VFHGXGNJWITFMH-UHFFFAOYSA-N 1 0 343.427 2.286 10 10 EECERO C[C@@H]1CC[N@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001256032042 1318611511 /nfs/dbraw/zinc/61/15/11/1318611511.db2.gz LGJUGLNTQHMTJQ-CQSZACIVSA-N 1 0 331.460 2.412 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccc(=O)[nH]2)cc1C ZINC001282114868 1325626134 /nfs/dbraw/zinc/62/61/34/1325626134.db2.gz VJACOYZWAYUVPZ-KBPBESRZSA-N 1 0 343.427 2.401 10 10 EECERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001292065544 1328359280 /nfs/dbraw/zinc/35/92/80/1328359280.db2.gz IRLCLGUGQJRZER-SFHVURJKSA-N 1 0 345.487 2.260 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2c(C)nn(C)c2C)cc1C ZINC001317257424 1332155221 /nfs/dbraw/zinc/15/52/21/1332155221.db2.gz WKTRECOHIHOITO-CYBMUJFWSA-N 1 0 344.459 2.262 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cnc(C)n2C)cc1C ZINC001321211617 1333045873 /nfs/dbraw/zinc/04/58/73/1333045873.db2.gz OVIBKLXELNVBIG-WAYWQWQTSA-N 1 0 342.443 2.121 10 10 EECERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(C)(C)CS(N)(=O)=O ZINC001329375082 1334635694 /nfs/dbraw/zinc/63/56/94/1334635694.db2.gz IAWQPPPTWLAPAK-NEPJUHHUSA-N 1 0 326.462 2.153 10 10 EECERO Cn1cnc(CCC[NH2+]Cc2ccc(Br)cc2O)n1 ZINC001333943953 1336179083 /nfs/dbraw/zinc/17/90/83/1336179083.db2.gz CYMYPBQKXZJEET-UHFFFAOYSA-N 1 0 325.210 2.006 10 10 EECERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1O ZINC001644183332 1352759490 /nfs/dbraw/zinc/75/94/90/1352759490.db2.gz JIFHLRQQTBVJIJ-NEPJUHHUSA-N 1 0 327.384 2.169 10 10 EECERO CCc1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001662389939 1354790349 /nfs/dbraw/zinc/79/03/49/1354790349.db2.gz ZUWXCRJTUHDFBQ-ZDUSSCGKSA-N 1 0 331.416 2.462 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)C3CC4(CSC4)C3)cc2)CC1 ZINC000918907148 769467897 /nfs/dbraw/zinc/46/78/97/769467897.db2.gz VAQAHWPTHSYWJC-UHFFFAOYSA-N 1 0 345.512 2.198 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000819587646 785597878 /nfs/dbraw/zinc/59/78/78/785597878.db2.gz GDQORALYAUKAPB-BBWFWOEESA-N 1 0 345.487 2.368 10 10 EECERO [NH3+]C1CCC(OCC(=O)NCCCSc2nccs2)CC1 ZINC000829527799 788304057 /nfs/dbraw/zinc/30/40/57/788304057.db2.gz GKGSFSIZEAMKRI-UHFFFAOYSA-N 1 0 329.491 2.028 10 10 EECERO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825337924 788578306 /nfs/dbraw/zinc/57/83/06/788578306.db2.gz IZHDGBFKHYUKSP-ZDUSSCGKSA-N 1 0 345.409 2.270 10 10 EECERO CCO[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000922055255 798770741 /nfs/dbraw/zinc/77/07/41/798770741.db2.gz NYZZGZCLIMDCEO-WMLDXEAASA-N 1 0 336.480 2.080 10 10 EECERO Cc1ccc(C[N@H+](CCO)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000793365510 810286019 /nfs/dbraw/zinc/28/60/19/810286019.db2.gz LZURYABNXSFXOW-UHFFFAOYSA-N 1 0 330.428 2.419 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2cccnc2)cc1C ZINC001493519617 1108265365 /nfs/dbraw/zinc/26/53/65/1108265365.db2.gz AHLFMUYGVQEVKS-UHFFFAOYSA-N 1 0 327.428 2.189 10 10 EECERO CC[C@@H](CNC(=O)c1ccc(C)nn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567958359 1124205071 /nfs/dbraw/zinc/20/50/71/1124205071.db2.gz MROUABQQBTUVMW-INIZCTEOSA-N 1 0 342.443 2.400 10 10 EECERO N#[N+]C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1 ZINC000034620665 202274174 /nfs/dbraw/zinc/27/41/74/202274174.db2.gz GLGXSTXZLFQYKJ-UHFFFAOYSA-N 1 0 334.463 2.067 10 10 EECERO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000089948927 203606579 /nfs/dbraw/zinc/60/65/79/203606579.db2.gz NDTTYKHHJFSVSY-UYAOXDASSA-N 1 0 345.487 2.260 10 10 EECERO COc1ccc(N2CCN(CC[NH2+]Cc3cnccc3C)CC2)cc1 ZINC000279792210 464148922 /nfs/dbraw/zinc/14/89/22/464148922.db2.gz CXXVATYLOBEAOG-UHFFFAOYSA-N 1 0 340.471 2.310 10 10 EECERO CCOc1cccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190159140 464604746 /nfs/dbraw/zinc/60/47/46/464604746.db2.gz JQPWPSZZUKXUKK-ZIAGYGMSSA-N 1 0 333.388 2.444 10 10 EECERO CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(OC)cc1 ZINC000729473828 576656288 /nfs/dbraw/zinc/65/62/88/576656288.db2.gz UUVNEJJEDFUZQY-UHFFFAOYSA-N 1 0 331.460 2.265 10 10 EECERO C[C@@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000772465473 577274161 /nfs/dbraw/zinc/27/41/61/577274161.db2.gz JDAQZAJPSOLIJC-OAHLLOKOSA-N 1 0 328.464 2.484 10 10 EECERO C[C@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)CS(C)(=O)=O ZINC000757842696 577865476 /nfs/dbraw/zinc/86/54/76/577865476.db2.gz CLPIICCVDJLHIT-GDBMZVCRSA-N 1 0 341.473 2.054 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@](C)(O)C3CC3)C2)cc1C ZINC001266679042 1177178502 /nfs/dbraw/zinc/17/85/02/1177178502.db2.gz XBQWCNOZVVMAHL-FUHIMQAGSA-N 1 0 346.471 2.292 10 10 EECERO CC[C@H](CNC(=O)c1cccc(=O)[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267801354 1180551918 /nfs/dbraw/zinc/55/19/18/1180551918.db2.gz KVDHHSCRTLJFBQ-OAHLLOKOSA-N 1 0 343.427 2.402 10 10 EECERO C[C@@H](C[NH2+]Cc1cncs1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268717908 1183638095 /nfs/dbraw/zinc/63/80/95/1183638095.db2.gz NTICGQQGCNINDJ-JTQLQIEISA-N 1 0 346.416 2.214 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CO[C@H](C)C1 ZINC001482934096 1187853981 /nfs/dbraw/zinc/85/39/81/1187853981.db2.gz BOOCKFOUKSRZNW-NVXWUHKLSA-N 1 0 334.460 2.367 10 10 EECERO COCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001484360762 1191317863 /nfs/dbraw/zinc/31/78/63/1191317863.db2.gz LLDFKPQTBFEKCR-WBVHZDCISA-N 1 0 334.460 2.224 10 10 EECERO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870856519 1200913304 /nfs/dbraw/zinc/91/33/04/1200913304.db2.gz IVQXJWBXHRMYIV-UHFFFAOYSA-N 1 0 343.471 2.014 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209228 1201465699 /nfs/dbraw/zinc/46/56/99/1201465699.db2.gz ZRQXZPVOVIWWMJ-HMPZPJAKSA-N 1 0 345.399 2.311 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)c1O ZINC000866438598 1201517853 /nfs/dbraw/zinc/51/78/53/1201517853.db2.gz ZLJSMEXKAHCCBE-GFCCVEGCSA-N 1 0 325.405 2.410 10 10 EECERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866442384 1201518952 /nfs/dbraw/zinc/51/89/52/1201518952.db2.gz KTIGGEPWLCDPJJ-IAQYHMDHSA-N 1 0 332.366 2.329 10 10 EECERO CN(C)c1ccc(CNC(=O)CN2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705592 1201585468 /nfs/dbraw/zinc/58/54/68/1201585468.db2.gz CZUDAXGEQSTNNZ-HXUWFJFHSA-N 1 0 346.519 2.066 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ncccc2O)cc1C ZINC001275968176 1205607650 /nfs/dbraw/zinc/60/76/50/1205607650.db2.gz MJUCKLHHLLPXOQ-UHFFFAOYSA-N 1 0 343.427 2.356 10 10 EECERO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC000925318234 1206095688 /nfs/dbraw/zinc/09/56/88/1206095688.db2.gz DLRHNTAHTGFKOQ-QAPCUYQASA-N 1 0 346.475 2.010 10 10 EECERO CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CCS(=O)(=O)C1 ZINC000903364409 1240315988 /nfs/dbraw/zinc/31/59/88/1240315988.db2.gz WAUJGCQGFRUOJJ-IAQYHMDHSA-N 1 0 347.864 2.208 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C(C)(C)n3cncn3)C2)cc1 ZINC000850486893 1277244484 /nfs/dbraw/zinc/24/44/84/1277244484.db2.gz DQRZBFUGOMGNKZ-CABCVRRESA-N 1 0 329.448 2.279 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3[NH2+]CCCC3(C)C)C2)cc1 ZINC000851639153 1277696821 /nfs/dbraw/zinc/69/68/21/1277696821.db2.gz BVTBARFEEVHWJE-RHSMWYFYSA-N 1 0 331.460 2.168 10 10 EECERO COc1ccc(N2CC[NH+](C[C@@H](OC)[C@@H]3CCOC3)CC2)cc1F ZINC000851807827 1291852125 /nfs/dbraw/zinc/85/21/25/1291852125.db2.gz JRSVMFIDBDNWQQ-RDTXWAMCSA-N 1 0 338.423 2.008 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C[NH3+])CC(C)C)C2)cc1 ZINC000852844021 1292213262 /nfs/dbraw/zinc/21/32/62/1292213262.db2.gz NIUHQVKUUDBSLJ-HOTGVXAUSA-N 1 0 333.476 2.401 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000855225413 1293117812 /nfs/dbraw/zinc/11/78/12/1293117812.db2.gz MZUJUWYQRBYDDA-INIZCTEOSA-N 1 0 343.471 2.265 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C3CC3)C2)cc1 ZINC000855226507 1293118992 /nfs/dbraw/zinc/11/89/92/1293118992.db2.gz QFVGMKPCNICGLE-KBXCAEBGSA-N 1 0 329.444 2.017 10 10 EECERO CO[C@@H](C[NH2+]Cc1c(O)cccc1Br)[C@@H]1CCOC1 ZINC000858186736 1294037238 /nfs/dbraw/zinc/03/72/38/1294037238.db2.gz CIPOJLIBGWNDDF-YGRLFVJLSA-N 1 0 330.222 2.296 10 10 EECERO NC(=O)C[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000863326208 1296222794 /nfs/dbraw/zinc/22/27/94/1296222794.db2.gz LFYKWMYMJGLAID-LBPRGKRZSA-N 1 0 344.411 2.093 10 10 EECERO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1O ZINC000797097020 1304644637 /nfs/dbraw/zinc/64/46/37/1304644637.db2.gz SSNFKZRKNLLVKU-UKRRQHHQSA-N 1 0 326.462 2.247 10 10 EECERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707528 1315600987 /nfs/dbraw/zinc/60/09/87/1315600987.db2.gz VDKRSZXOCHASJL-WMLDXEAASA-N 1 0 348.516 2.037 10 10 EECERO COc1ccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(O)c1 ZINC000841962848 1315645536 /nfs/dbraw/zinc/64/55/36/1315645536.db2.gz NIWKZSUELXSEIA-GFCCVEGCSA-N 1 0 329.400 2.420 10 10 EECERO COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001264380127 1322683732 /nfs/dbraw/zinc/68/37/32/1322683732.db2.gz DADHDCJSVPVNQF-HNNXBMFYSA-N 1 0 347.419 2.032 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001320287041 1332856628 /nfs/dbraw/zinc/85/66/28/1332856628.db2.gz UAXJCQDSGKPKDF-FGTMMUONSA-N 1 0 346.471 2.007 10 10 EECERO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1F ZINC001328785297 1334520949 /nfs/dbraw/zinc/52/09/49/1334520949.db2.gz ZOWCOUMJGAFJQN-WBMJQRKESA-N 1 0 330.419 2.278 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H](O)C(C)C)cc1C ZINC001331276028 1334989159 /nfs/dbraw/zinc/98/91/59/1334989159.db2.gz WLVGKLQAXZTKEP-IEBWSBKVSA-N 1 0 348.487 2.347 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)C2(C)CCCC2)cc1C ZINC001332553213 1335848272 /nfs/dbraw/zinc/84/82/72/1335848272.db2.gz UGRLEBPIQHAFRT-QGZVFWFLSA-N 1 0 348.487 2.493 10 10 EECERO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000847355783 1337974523 /nfs/dbraw/zinc/97/45/23/1337974523.db2.gz GPDGUASZEBPEIA-HNNXBMFYSA-N 1 0 333.501 2.198 10 10 EECERO CCN(CC)c1ccc(CNC(=O)COC2CC[NH+](C)CC2)cc1 ZINC001354674294 1338579010 /nfs/dbraw/zinc/57/90/10/1338579010.db2.gz GBJWSOKUMLBNTQ-UHFFFAOYSA-N 1 0 333.476 2.260 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2nn(C)cc2C)cc1C ZINC001571387310 1343202176 /nfs/dbraw/zinc/20/21/76/1343202176.db2.gz SBPHNCWTFIFHON-OAHLLOKOSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846672930 790365441 /nfs/dbraw/zinc/36/54/41/790365441.db2.gz NDNLOXGRFDARNC-RTBURBONSA-N 1 0 343.471 2.265 10 10 EECERO Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CN(C)CCO2)c1O ZINC000709429143 786949790 /nfs/dbraw/zinc/94/97/90/786949790.db2.gz XUMCPWHZBWSTRX-CQSZACIVSA-N 1 0 343.265 2.226 10 10 EECERO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000825117992 788445119 /nfs/dbraw/zinc/44/51/19/788445119.db2.gz NMRHHJWVXUBPST-NSHDSACASA-N 1 0 346.349 2.437 10 10 EECERO C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1c1cc[nH+]cc1 ZINC000915277968 795808200 /nfs/dbraw/zinc/80/82/00/795808200.db2.gz MFZSHHWGDDEPRZ-LYKUJDHUSA-N 1 0 339.395 2.243 10 10 EECERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)c1cc(Br)ccc1O ZINC000716790416 796455155 /nfs/dbraw/zinc/45/51/55/796455155.db2.gz PLGZORATPNIVRU-VCJLRHCSSA-N 1 0 327.222 2.459 10 10 EECERO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1 ZINC000787323175 807088691 /nfs/dbraw/zinc/08/86/91/807088691.db2.gz ANWSBNOELBDBSB-VOJFVSQTSA-N 1 0 331.368 2.341 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c1O ZINC000792713462 809956963 /nfs/dbraw/zinc/95/69/63/809956963.db2.gz LGOJMUGVMAFDAF-CALCHBBNSA-N 1 0 345.395 2.178 10 10 EECERO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cc(Br)ccc1O ZINC000805183792 811174953 /nfs/dbraw/zinc/17/49/53/811174953.db2.gz KPFHYECOLDUVOD-JTQLQIEISA-N 1 0 344.253 2.294 10 10 EECERO COCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480173499 1099752949 /nfs/dbraw/zinc/75/29/49/1099752949.db2.gz ATRMZVYDTLBGHV-SHTZXODSSA-N 1 0 347.419 2.126 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2cccnc2C)cc1C ZINC001493695719 1108523113 /nfs/dbraw/zinc/52/31/13/1108523113.db2.gz UHIVJCYUPGGYHN-UHFFFAOYSA-N 1 0 341.455 2.498 10 10 EECERO CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c[nH]c2=O)[NH+](C)C)cc1 ZINC001456927085 1109369752 /nfs/dbraw/zinc/36/97/52/1109369752.db2.gz AHVHKNWCHNCLOJ-MRXNPFEDSA-N 1 0 346.406 2.025 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@]2(C)CCOC2)C2CC2)cc1C ZINC001569324445 1125230160 /nfs/dbraw/zinc/23/01/60/1125230160.db2.gz STOGBGUBBYVCFA-YLJYHZDGSA-N 1 0 346.471 2.415 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089544 216006397 /nfs/dbraw/zinc/00/63/97/216006397.db2.gz CNCPOGVCZJCFSJ-KEDPEKRHSA-N 1 0 345.399 2.456 10 10 EECERO CC[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000019900129 212080404 /nfs/dbraw/zinc/08/04/04/212080404.db2.gz IWGNVTVKHIDORN-CMPLNLGQSA-N 1 0 348.262 2.383 10 10 EECERO CSCc1ccc(C[NH2+]Cc2ccc(N3CCNC(=O)C3)cc2)o1 ZINC000048234569 462877938 /nfs/dbraw/zinc/87/79/38/462877938.db2.gz ORABZUKYXPCEIN-UHFFFAOYSA-N 1 0 345.468 2.369 10 10 EECERO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)CN1 ZINC000092105136 462927559 /nfs/dbraw/zinc/92/75/59/462927559.db2.gz VEMDECZGHLNZOQ-MJGOQNOKSA-N 1 0 343.471 2.014 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000155705618 462930829 /nfs/dbraw/zinc/93/08/29/462930829.db2.gz CIZBEAOUUWEIIN-LJQANCHMSA-N 1 0 340.471 2.443 10 10 EECERO CC[N@@H+]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000264659358 464411926 /nfs/dbraw/zinc/41/19/26/464411926.db2.gz QMMRWDIQRKEWJF-SOFGYWHQSA-N 1 0 333.388 2.313 10 10 EECERO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CN1CC[NH+](C)CC1 ZINC000293609131 464414461 /nfs/dbraw/zinc/41/44/61/464414461.db2.gz LRTPSLOMVYKTFU-LBPRGKRZSA-N 1 0 329.847 2.158 10 10 EECERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175344027 464530730 /nfs/dbraw/zinc/53/07/30/464530730.db2.gz MYEOHQSHEBISJO-LJQANCHMSA-N 1 0 346.519 2.127 10 10 EECERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)n(C)n1 ZINC000183662217 464893852 /nfs/dbraw/zinc/89/38/52/464893852.db2.gz PPBCLOOZXVTMNG-ZFWWWQNUSA-N 1 0 328.416 2.280 10 10 EECERO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccccc1 ZINC000295594797 464895270 /nfs/dbraw/zinc/89/52/70/464895270.db2.gz TXTZIJAMJRXFEM-XJKSGUPXSA-N 1 0 330.359 2.412 10 10 EECERO OC[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCc2ccccc21 ZINC000305121831 466350589 /nfs/dbraw/zinc/35/05/89/466350589.db2.gz BNGZJAJRSNOOQV-NRFANRHFSA-N 1 0 338.451 2.447 10 10 EECERO Cc1ccc(O)c(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000367964392 466562426 /nfs/dbraw/zinc/56/24/26/466562426.db2.gz UUYPUUBAOUJPLK-INIZCTEOSA-N 1 0 346.452 2.253 10 10 EECERO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1O ZINC000368213511 466588299 /nfs/dbraw/zinc/58/82/99/466588299.db2.gz URLXBABRIYHWJE-NHYWBVRUSA-N 1 0 338.835 2.476 10 10 EECERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000774685505 577411139 /nfs/dbraw/zinc/41/11/39/577411139.db2.gz BQEXBMDDTHTZSB-GJZGRUSLSA-N 1 0 337.416 2.252 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCCO)C1 ZINC000769664576 577582027 /nfs/dbraw/zinc/58/20/27/577582027.db2.gz IISKUEZOTGJOCR-UHFFFAOYSA-N 1 0 330.428 2.333 10 10 EECERO OCCC1([NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000761993754 577693049 /nfs/dbraw/zinc/69/30/49/577693049.db2.gz MLGGMYRDQXLNCP-UHFFFAOYSA-N 1 0 330.222 2.176 10 10 EECERO Cc1cc(CCNC(=O)NCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000762421884 577700841 /nfs/dbraw/zinc/70/08/41/577700841.db2.gz CPFFNSHDTKTGOQ-UHFFFAOYSA-N 1 0 328.460 2.497 10 10 EECERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1 ZINC000757657813 577862031 /nfs/dbraw/zinc/86/20/31/577862031.db2.gz QZIGTHWNGOGTNR-HOCLYGCPSA-N 1 0 342.443 2.276 10 10 EECERO COc1cc(C)cc(C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c1O ZINC000895406680 684589934 /nfs/dbraw/zinc/58/99/34/684589934.db2.gz VQEBFKNBNHXVNV-UHFFFAOYSA-N 1 0 328.368 2.444 10 10 EECERO COC[C@@H](C)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000188450723 684629379 /nfs/dbraw/zinc/62/93/79/684629379.db2.gz YITLIRRFSACSRE-AWEZNQCLSA-N 1 0 338.448 2.117 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3ccon3)C2)cc1C ZINC001691087133 1177554211 /nfs/dbraw/zinc/55/42/11/1177554211.db2.gz HMWXJOMSDBLRDI-WOVMCDHWSA-N 1 0 343.427 2.219 10 10 EECERO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@H]1CCCCO1 ZINC001267233564 1178559994 /nfs/dbraw/zinc/55/99/94/1178559994.db2.gz QIHGRZNPLNHPBE-OAHLLOKOSA-N 1 0 347.419 2.080 10 10 EECERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@H]2CCOC2)C2CC2)cc1C ZINC001267849052 1180627945 /nfs/dbraw/zinc/62/79/45/1180627945.db2.gz LXUXCOPWLPQKJG-OXJNMPFZSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)Cc2cc[nH]n2)C(C)C)cc1C ZINC001268206786 1182009620 /nfs/dbraw/zinc/00/96/20/1182009620.db2.gz YSVCAOJZWVZCMF-KRWDZBQOSA-N 1 0 344.459 2.200 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cncnc2C)cc1C ZINC001485847675 1193615270 /nfs/dbraw/zinc/61/52/70/1193615270.db2.gz HSOATJYAJVAGJF-AWEZNQCLSA-N 1 0 342.443 2.352 10 10 EECERO CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691683106 1197490711 /nfs/dbraw/zinc/49/07/11/1197490711.db2.gz PEOWLYSMLXTODR-OAHLLOKOSA-N 1 0 347.419 2.032 10 10 EECERO C[C@@H](CF)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000814423080 1199508855 /nfs/dbraw/zinc/50/88/55/1199508855.db2.gz UWJIZSFMBRIFJP-HNNXBMFYSA-N 1 0 348.466 2.376 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CC3CCC1CC3)cc2=O ZINC000814653038 1199643653 /nfs/dbraw/zinc/64/36/53/1199643653.db2.gz PUTVLAITWTZYQA-KOHJWAIASA-N 1 0 344.415 2.280 10 10 EECERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000870883546 1200930662 /nfs/dbraw/zinc/93/06/62/1200930662.db2.gz AXKHYRLNRLNXBR-WFXMFSGNSA-N 1 0 330.428 2.027 10 10 EECERO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1c(O)cccc1F ZINC000928705235 1206413560 /nfs/dbraw/zinc/41/35/60/1206413560.db2.gz IANDCLIKAZUKHA-UHFFFAOYSA-N 1 0 336.407 2.183 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000929317034 1206464584 /nfs/dbraw/zinc/46/45/84/1206464584.db2.gz VKLZHERYKAMWKZ-MNEFBYGVSA-N 1 0 332.444 2.011 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902761355 1238459468 /nfs/dbraw/zinc/45/94/68/1238459468.db2.gz OHMHCTYHJIQNLW-WKWVNEEDSA-N 1 0 328.456 2.426 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2ccon2)cc1C ZINC001491528678 1259179203 /nfs/dbraw/zinc/17/92/03/1259179203.db2.gz NMJGPDJCHUVQDT-AWEZNQCLSA-N 1 0 331.416 2.219 10 10 EECERO COc1cccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1O ZINC000850396533 1277214650 /nfs/dbraw/zinc/21/46/50/1277214650.db2.gz XQAGYXNHMZTKKD-IAGOWNOFSA-N 1 0 332.444 2.134 10 10 EECERO C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000852790247 1292199929 /nfs/dbraw/zinc/19/99/29/1292199929.db2.gz MMFVABDGMKSEBI-OFQRWUPVSA-N 1 0 349.450 2.055 10 10 EECERO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858135688 1294017598 /nfs/dbraw/zinc/01/75/98/1294017598.db2.gz CHTACWDGCUTEOA-CCKFTAQKSA-N 1 0 348.512 2.446 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccn(C)c3)CC2)cc1C ZINC001277036713 1300975420 /nfs/dbraw/zinc/97/54/20/1300975420.db2.gz MJSMKVHBQCGZDO-UHFFFAOYSA-N 1 0 327.428 2.394 10 10 EECERO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000840909198 1315433523 /nfs/dbraw/zinc/43/35/23/1315433523.db2.gz BXJWVIWDMQHLMI-SFHVURJKSA-N 1 0 345.487 2.132 10 10 EECERO COc1c([O-])c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043958 1315827406 /nfs/dbraw/zinc/82/74/06/1315827406.db2.gz DUIBYEOZHBQNBB-GXTWGEPZSA-N 1 0 335.404 2.273 10 10 EECERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc2ccccc2c1O ZINC000843429677 1315914281 /nfs/dbraw/zinc/91/42/81/1315914281.db2.gz ZJMFPZRKXNHORT-AWEZNQCLSA-N 1 0 327.428 2.097 10 10 EECERO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2O)[NH+](C)C)cc1 ZINC001304768019 1331394874 /nfs/dbraw/zinc/39/48/74/1331394874.db2.gz JPHIICWIRPASPF-QGZVFWFLSA-N 1 0 327.428 2.491 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2nn(C)cc2C)cc1C ZINC001319456213 1332705427 /nfs/dbraw/zinc/70/54/27/1332705427.db2.gz XWANTZABQNTJQB-OAHLLOKOSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)c2nnc[nH]2)cc1C ZINC001319631563 1332731292 /nfs/dbraw/zinc/73/12/92/1332731292.db2.gz PIJPVCSTAZDHKH-OAHLLOKOSA-N 1 0 345.447 2.056 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2cnc(C)o2)cc1C ZINC001331468635 1335018988 /nfs/dbraw/zinc/01/89/88/1335018988.db2.gz DPSIYCQNVDGRQK-CQSZACIVSA-N 1 0 345.443 2.479 10 10 EECERO C[C@H](NC(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001332516008 1335839723 /nfs/dbraw/zinc/83/97/23/1335839723.db2.gz JHFRMLFOBGBUAH-JCGIZDLHSA-N 1 0 331.460 2.218 10 10 EECERO COC(=O)c1c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c2cc(F)ccc2n1C ZINC001353593283 1338298279 /nfs/dbraw/zinc/29/82/79/1338298279.db2.gz MOFNZYWACUITAR-YVEFUNNKSA-N 1 0 345.418 2.240 10 10 EECERO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001560144155 1342508232 /nfs/dbraw/zinc/50/82/32/1342508232.db2.gz UGNODBVKDZDLCP-HNNXBMFYSA-N 1 0 326.444 2.441 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2[nH]cnc2C)cc1C ZINC001668287565 1355915849 /nfs/dbraw/zinc/91/58/49/1355915849.db2.gz AFVUIEFNVNSYCU-CQSZACIVSA-N 1 0 344.459 2.262 10 10 EECERO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000694814499 761973460 /nfs/dbraw/zinc/97/34/60/761973460.db2.gz SQLMNZADJYQXNO-LBPRGKRZSA-N 1 0 348.262 2.212 10 10 EECERO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000817978397 785126276 /nfs/dbraw/zinc/12/62/76/785126276.db2.gz AGLCWQRPIDKAST-LRDDRELGSA-N 1 0 343.393 2.310 10 10 EECERO NC(=O)C1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706871981 785802277 /nfs/dbraw/zinc/80/22/77/785802277.db2.gz UZGHIDIZHFQMIA-UHFFFAOYSA-N 1 0 327.222 2.288 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001136832094 788075222 /nfs/dbraw/zinc/07/52/22/788075222.db2.gz ARXDFUCJCMUYFK-KRWDZBQOSA-N 1 0 340.423 2.421 10 10 EECERO CC(C)[NH+]1CCN(CCCC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000913725975 794182930 /nfs/dbraw/zinc/18/29/30/794182930.db2.gz FKEGKISAXZDCSV-UHFFFAOYSA-N 1 0 331.460 2.041 10 10 EECERO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCOCC23CCCC3)cc1 ZINC001176966367 798661647 /nfs/dbraw/zinc/66/16/47/798661647.db2.gz XOTLYYFERBPXGI-GOSISDBHSA-N 1 0 345.487 2.308 10 10 EECERO CC(=O)C(=O)COC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000808517067 812686821 /nfs/dbraw/zinc/68/68/21/812686821.db2.gz WQBFJTGVQJEEBJ-AWEZNQCLSA-N 1 0 347.411 2.255 10 10 EECERO CC(=O)C(=O)COC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000808517071 812686932 /nfs/dbraw/zinc/68/69/32/812686932.db2.gz WQBFJTGVQJEEBJ-CQSZACIVSA-N 1 0 347.411 2.255 10 10 EECERO CCOc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC001566562770 1125736515 /nfs/dbraw/zinc/73/65/15/1125736515.db2.gz NQFTUMWMFPOTEU-MRXNPFEDSA-N 1 0 331.460 2.076 10 10 EECERO CC[C@@H](CNC(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495055035 1104691930 /nfs/dbraw/zinc/69/19/30/1104691930.db2.gz PZOPGOYARLGGKC-ZDUSSCGKSA-N 1 0 334.395 2.164 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCOC[C@H]2C)cc1C ZINC001493687095 1108508722 /nfs/dbraw/zinc/50/87/22/1108508722.db2.gz FHMYWVLIYOHNDS-WBVHZDCISA-N 1 0 334.460 2.224 10 10 EECERO c1ncn(-c2ccccc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC001473957001 1110586604 /nfs/dbraw/zinc/58/66/04/1110586604.db2.gz DREMQOICJUKWAN-UHFFFAOYSA-N 1 0 349.438 2.394 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)CCc3cn[nH]c3)CC2)cc1C ZINC001499378128 1112260435 /nfs/dbraw/zinc/26/04/35/1112260435.db2.gz YUOWSURBDLRXKZ-UHFFFAOYSA-N 1 0 342.443 2.098 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001507207243 1115151691 /nfs/dbraw/zinc/15/16/91/1115151691.db2.gz SZPWIZLKFWGFAO-WMLDXEAASA-N 1 0 334.460 2.007 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc(C)ncn1 ZINC001568736214 1124748664 /nfs/dbraw/zinc/74/86/64/1124748664.db2.gz ARVQQRIDWJXNNS-UHFFFAOYSA-N 1 0 342.443 2.354 10 10 EECERO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)cc1 ZINC000193438738 529780561 /nfs/dbraw/zinc/78/05/61/529780561.db2.gz PNRSRNBZYXLKEW-FQEVSTJZSA-N 1 0 330.520 2.355 10 10 EECERO CCOc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1O ZINC000093011544 237040113 /nfs/dbraw/zinc/04/01/13/237040113.db2.gz FGBZHJYYSOGCGV-KRWDZBQOSA-N 1 0 334.460 2.478 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1C ZINC000131322356 237206267 /nfs/dbraw/zinc/20/62/67/237206267.db2.gz RWGMXTINALRZEX-INIZCTEOSA-N 1 0 338.473 2.009 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172631900 464121688 /nfs/dbraw/zinc/12/16/88/464121688.db2.gz QOGHNBHGRWAINK-SFHVURJKSA-N 1 0 326.444 2.052 10 10 EECERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1O ZINC000271661274 464356388 /nfs/dbraw/zinc/35/63/88/464356388.db2.gz DJZUTLHFMPUADW-HOTGVXAUSA-N 1 0 328.416 2.362 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264904730 464502601 /nfs/dbraw/zinc/50/26/01/464502601.db2.gz COAZOFHBHALVDL-SOFGYWHQSA-N 1 0 345.399 2.456 10 10 EECERO CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[N@@H+]1C[C@@H](C)O ZINC000175646275 464595298 /nfs/dbraw/zinc/59/52/98/464595298.db2.gz HFJXQNHSHWZIHS-MLGOLLRUSA-N 1 0 338.423 2.011 10 10 EECERO COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000528723791 467739874 /nfs/dbraw/zinc/73/98/74/467739874.db2.gz XAIFLURZQQHAES-UHFFFAOYSA-N 1 0 343.383 2.205 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@@H]3C)cc2F)CC1 ZINC000730119095 576718937 /nfs/dbraw/zinc/71/89/37/576718937.db2.gz QGSFYUPHJARASI-HOCLYGCPSA-N 1 0 348.466 2.423 10 10 EECERO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773220064 577324302 /nfs/dbraw/zinc/32/43/02/577324302.db2.gz PJGGPXNPLLPXIB-INIZCTEOSA-N 1 0 348.491 2.225 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000899939768 693931847 /nfs/dbraw/zinc/93/18/47/693931847.db2.gz BEOJDGGJJQJXLE-MJGOQNOKSA-N 1 0 343.471 2.361 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(F)nc2)cc1C ZINC001691278138 1177810810 /nfs/dbraw/zinc/81/08/10/1177810810.db2.gz UWOBCOPTLYJBHD-UHFFFAOYSA-N 1 0 331.391 2.400 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1csc(=O)[nH]1 ZINC001268473463 1182866348 /nfs/dbraw/zinc/86/63/48/1182866348.db2.gz VGZJVXJBSOUTCK-UHFFFAOYSA-N 1 0 349.456 2.418 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCOC2)cc1C ZINC001482263806 1184835977 /nfs/dbraw/zinc/83/59/77/1184835977.db2.gz BIVBAYCPTXBVIL-WBVHZDCISA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccnnc2C)cc1C ZINC001485895231 1193632766 /nfs/dbraw/zinc/63/27/66/1193632766.db2.gz JOLSHDPYKNTROD-AWEZNQCLSA-N 1 0 342.443 2.352 10 10 EECERO CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000872147171 1198054748 /nfs/dbraw/zinc/05/47/48/1198054748.db2.gz FGUJBWAEFPNKMO-GWCFXTLKSA-N 1 0 334.313 2.303 10 10 EECERO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Cl ZINC000825779784 1199218587 /nfs/dbraw/zinc/21/85/87/1199218587.db2.gz OXUGWPXNFMBFCJ-FZMZJTMJSA-N 1 0 346.880 2.162 10 10 EECERO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C1(S(C)(=O)=O)CC1 ZINC000825887888 1199685834 /nfs/dbraw/zinc/68/58/34/1199685834.db2.gz XEKZHEZWPJTORW-VIFPVBQESA-N 1 0 348.262 2.210 10 10 EECERO CC(=O)c1cc(Cl)cc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c1O ZINC000880999468 1201619722 /nfs/dbraw/zinc/61/97/22/1201619722.db2.gz NCYWRPICBMIBMG-LLVKDONJSA-N 1 0 334.807 2.040 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cnn(C)c2)cc1C ZINC001275349429 1205317420 /nfs/dbraw/zinc/31/74/20/1205317420.db2.gz UXMQBRRMNICPGE-ZIAGYGMSSA-N 1 0 330.432 2.034 10 10 EECERO COc1ccnc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000098051721 1216520242 /nfs/dbraw/zinc/52/02/42/1216520242.db2.gz MKPDPJBXYKMWIJ-UHFFFAOYSA-N 1 0 340.427 2.002 10 10 EECERO COC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850347044 1277193130 /nfs/dbraw/zinc/19/31/30/1277193130.db2.gz MMKONOPFIRLBRT-OAHLLOKOSA-N 1 0 333.432 2.094 10 10 EECERO Fc1cc(C[NH2+]CCO[C@H]2CC2(F)F)ccc1N1CCOCC1 ZINC000850365711 1277201015 /nfs/dbraw/zinc/20/10/15/1277201015.db2.gz LXWGSVFQOJQHFU-HNNXBMFYSA-N 1 0 330.350 2.176 10 10 EECERO COc1cccc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c1O ZINC000850485427 1277243404 /nfs/dbraw/zinc/24/34/04/1277243404.db2.gz HWXSQRSLOORXQY-LBPRGKRZSA-N 1 0 327.446 2.266 10 10 EECERO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1O ZINC000850505999 1277252856 /nfs/dbraw/zinc/25/28/56/1277252856.db2.gz APDKQLXVKWXWGH-BLLLJJGKSA-N 1 0 329.824 2.173 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000851677717 1277715418 /nfs/dbraw/zinc/71/54/18/1277715418.db2.gz JWZIBKMVUFLIEX-QGZVFWFLSA-N 1 0 336.480 2.146 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cccnn2)C2CC2)cc1C ZINC001490725025 1291609861 /nfs/dbraw/zinc/60/98/61/1291609861.db2.gz WJKIFKHMTGRQTF-KRWDZBQOSA-N 1 0 340.427 2.092 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)cc1F ZINC000852084118 1291985851 /nfs/dbraw/zinc/98/58/51/1291985851.db2.gz LBQFSQFTOOLYTG-UHFFFAOYSA-N 1 0 336.455 2.375 10 10 EECERO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cn1 ZINC000853121446 1292290216 /nfs/dbraw/zinc/29/02/16/1292290216.db2.gz DEDQVXAVRIVORQ-LJQANCHMSA-N 1 0 345.418 2.005 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1F ZINC000858182054 1294036089 /nfs/dbraw/zinc/03/60/89/1294036089.db2.gz GCXYWUIXSPDNIB-QGZVFWFLSA-N 1 0 328.403 2.298 10 10 EECERO CN1CCCc2cc(CNC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)ccc21 ZINC000841760426 1315609255 /nfs/dbraw/zinc/60/92/55/1315609255.db2.gz VNQLJIQOIKSMMD-FQEVSTJZSA-N 1 0 342.487 2.354 10 10 EECERO Cc1nocc1C[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001491692277 1330208202 /nfs/dbraw/zinc/20/82/02/1330208202.db2.gz YNNNAENVIACLMG-JTQLQIEISA-N 1 0 344.375 2.054 10 10 EECERO Fc1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc(F)c1N1CCOCC1 ZINC001333583094 1336079427 /nfs/dbraw/zinc/07/94/27/1336079427.db2.gz QBIQLDCZMGLCHB-RHSMWYFYSA-N 1 0 338.398 2.459 10 10 EECERO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848531369 1338715184 /nfs/dbraw/zinc/71/51/84/1338715184.db2.gz QHWDZGWRKSQICI-OTYXRUKQSA-N 1 0 348.237 2.211 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cnsn2)cc1C ZINC001571378886 1343201265 /nfs/dbraw/zinc/20/12/65/1343201265.db2.gz MWAWZGOYZQMPFD-LBPRGKRZSA-N 1 0 334.445 2.105 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](OC)C2CC2)cc1C ZINC001676341422 1357137045 /nfs/dbraw/zinc/13/70/45/1357137045.db2.gz GNYHGNBSMJCYPG-KSSFIOAISA-N 1 0 334.460 2.365 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cnc(C)[nH]2)C2CC2)cc1C ZINC001661114205 1354592929 /nfs/dbraw/zinc/59/29/29/1354592929.db2.gz YZGCBOPRBFUEDF-INIZCTEOSA-N 1 0 342.443 2.333 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)CCn2cc(C)cn2)cc1C ZINC001664391737 1355152977 /nfs/dbraw/zinc/15/29/77/1355152977.db2.gz QMVLCKDIKRHGLP-UHFFFAOYSA-N 1 0 344.459 2.147 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccn(C)n2)cc1C ZINC001668309856 1355921046 /nfs/dbraw/zinc/92/10/46/1355921046.db2.gz NEZUCIIDKYLVRV-CQSZACIVSA-N 1 0 330.432 2.035 10 10 EECERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000693460453 759874613 /nfs/dbraw/zinc/87/46/13/759874613.db2.gz FGOKCZFYUCLOAP-UHFFFAOYSA-N 1 0 348.262 2.212 10 10 EECERO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000846673333 790365475 /nfs/dbraw/zinc/36/54/75/790365475.db2.gz RNTXKAXSRKAKLN-ROUUACIJSA-N 1 0 345.512 2.387 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](NC(C)=O)C2)c1O ZINC000817364014 784742629 /nfs/dbraw/zinc/74/26/29/784742629.db2.gz BHVYROXGCQCTKW-AWEZNQCLSA-N 1 0 342.395 2.042 10 10 EECERO CCn1nnc(C)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000824377045 788151542 /nfs/dbraw/zinc/15/15/42/788151542.db2.gz RTNQOSUTTQMELG-UHFFFAOYSA-N 1 0 325.210 2.364 10 10 EECERO CCOc1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000824517111 788198920 /nfs/dbraw/zinc/19/89/20/788198920.db2.gz PUQOGIQZDTYXQY-CQSZACIVSA-N 1 0 347.436 2.452 10 10 EECERO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC34CCCC4)CC2)cc1 ZINC000844358242 789040500 /nfs/dbraw/zinc/04/05/00/789040500.db2.gz IKKMXORZSKBCIM-UHFFFAOYSA-N 1 0 343.471 2.362 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]Cc3c4c(nn3C)CCC4)C2)cc1 ZINC000922237631 800004070 /nfs/dbraw/zinc/00/40/70/800004070.db2.gz LYJYYYVARQXDAP-CQSZACIVSA-N 1 0 326.444 2.286 10 10 EECERO COc1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)c(O)c1 ZINC000794369221 810768910 /nfs/dbraw/zinc/76/89/10/810768910.db2.gz FOJIESZCZYMGMF-UHFFFAOYSA-N 1 0 344.411 2.271 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC001471871572 1110534119 /nfs/dbraw/zinc/53/41/19/1110534119.db2.gz SFBKPMCOQPVMMM-KGLIPLIRSA-N 1 0 347.444 2.159 10 10 EECERO C/C=C(\C)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001502861216 1113836485 /nfs/dbraw/zinc/83/64/85/1113836485.db2.gz BZWLOWZVXBNCRL-PJQLUOCWSA-N 1 0 346.471 2.413 10 10 EECERO CCO[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001506875118 1114944420 /nfs/dbraw/zinc/94/44/20/1114944420.db2.gz LYLOJJNQEPYEIL-XIRDDKMYSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@H]2CC=CCC2)cc1C ZINC001507222794 1115155079 /nfs/dbraw/zinc/15/50/79/1115155079.db2.gz SMKPCTDWJFQMRW-FUHWJXTLSA-N 1 0 346.471 2.317 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cncnc2C)cc1C ZINC001568159864 1124334020 /nfs/dbraw/zinc/33/40/20/1124334020.db2.gz APARUVYDTMLUMR-ZDUSSCGKSA-N 1 0 342.443 2.258 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2csnn2)C2CC2)cc1C ZINC001569313435 1125224069 /nfs/dbraw/zinc/22/40/69/1125224069.db2.gz YBHQRLYEUAKWGK-CQSZACIVSA-N 1 0 346.456 2.153 10 10 EECERO CCOc1cccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1O ZINC000121564045 463157730 /nfs/dbraw/zinc/15/77/30/463157730.db2.gz FXMXDIXJICRSPQ-UHFFFAOYSA-N 1 0 344.459 2.232 10 10 EECERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000185502200 463835067 /nfs/dbraw/zinc/83/50/67/463835067.db2.gz VTHIKDLDKHFVAI-ONGXEEELSA-N 1 0 327.222 2.426 10 10 EECERO C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294096764 464432175 /nfs/dbraw/zinc/43/21/75/464432175.db2.gz ZXZZAEKCVOBNGK-UHFFFAOYSA-N 1 0 329.847 2.254 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000273456886 464717207 /nfs/dbraw/zinc/71/72/07/464717207.db2.gz YZUGIFSKRVCNKV-ROUUACIJSA-N 1 0 347.503 2.098 10 10 EECERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000248837143 464808140 /nfs/dbraw/zinc/80/81/40/464808140.db2.gz MSYSOVBWBLWDBP-WDSOQIARSA-N 1 0 344.455 2.297 10 10 EECERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c(O)c1C ZINC000368211177 466587929 /nfs/dbraw/zinc/58/79/29/466587929.db2.gz CEUVYVYPZORWEY-PBHICJAKSA-N 1 0 332.444 2.440 10 10 EECERO COc1ccc(N(C)C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1Cl ZINC000662634265 472180621 /nfs/dbraw/zinc/18/06/21/472180621.db2.gz DSOLWXPWZTYCMW-JTQLQIEISA-N 1 0 334.807 2.425 10 10 EECERO CC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020324 529296517 /nfs/dbraw/zinc/29/65/17/529296517.db2.gz FRJNLGYTKJICOB-VQTJNVASSA-N 1 0 346.471 2.293 10 10 EECERO COc1ccc(N2CC[NH+](CCCNC(=O)C3=CCC3)CC2)cc1 ZINC000770466455 577596987 /nfs/dbraw/zinc/59/69/87/577596987.db2.gz MTLCJYOMCWURJU-UHFFFAOYSA-N 1 0 329.444 2.044 10 10 EECERO Oc1cc2c(cc1C[NH+]1CCN(c3ncc(F)cn3)CC1)CCC2 ZINC000758983439 577634826 /nfs/dbraw/zinc/63/48/26/577634826.db2.gz ORNZRFJEDIYOLJ-UHFFFAOYSA-N 1 0 328.391 2.132 10 10 EECERO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Cl)ccc1O ZINC000756687556 577848548 /nfs/dbraw/zinc/84/85/48/577848548.db2.gz NWEXEZUVAYEGAP-LLVKDONJSA-N 1 0 332.853 2.122 10 10 EECERO CNC(=O)C1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000895883803 684760287 /nfs/dbraw/zinc/76/02/87/684760287.db2.gz JAVLVRDWPUMOKZ-UHFFFAOYSA-N 1 0 340.423 2.444 10 10 EECERO COc1cccc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001266983237 1178037509 /nfs/dbraw/zinc/03/75/09/1178037509.db2.gz ILIOVEDXSBNGSW-AWEZNQCLSA-N 1 0 343.427 2.315 10 10 EECERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]Cc1cncs1 ZINC001266996144 1178053848 /nfs/dbraw/zinc/05/38/48/1178053848.db2.gz NHRYDFONZLMJCP-SNVBAGLBSA-N 1 0 346.416 2.214 10 10 EECERO C[N@H+](CCF)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267708948 1180230109 /nfs/dbraw/zinc/23/01/09/1180230109.db2.gz RYGZYVHDAGNQTB-GFCCVEGCSA-N 1 0 335.383 2.212 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2n[nH]c(C)c2C)cc1C ZINC001268521211 1183170741 /nfs/dbraw/zinc/17/07/41/1183170741.db2.gz DTLFHKNBYHYTOU-AATRIKPKSA-N 1 0 342.443 2.419 10 10 EECERO CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268758490 1183673751 /nfs/dbraw/zinc/67/37/51/1183673751.db2.gz DFWRARKPKOBBIW-CYBMUJFWSA-N 1 0 349.435 2.324 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCO2)C2CC2)cc1C ZINC001269039043 1183912053 /nfs/dbraw/zinc/91/20/53/1183912053.db2.gz NVYXXEKJVQWDIP-FUHWJXTLSA-N 1 0 332.444 2.167 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2CCC(O)CC2)cc1C ZINC001270393802 1185071697 /nfs/dbraw/zinc/07/16/97/1185071697.db2.gz NBNCWZOLJUFRBS-NNGSBXSVSA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@]2(C)CCOC2)cc1C ZINC001482883020 1187808102 /nfs/dbraw/zinc/80/81/02/1187808102.db2.gz BDLDPQONSFAUDZ-BEFAXECRSA-N 1 0 334.460 2.415 10 10 EECERO COCC1(C(=O)N2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)[C@@H](C)C2)CC1 ZINC001484893122 1191566679 /nfs/dbraw/zinc/56/66/79/1191566679.db2.gz WJLDEQPZMGQVAK-RDJZCZTQSA-N 1 0 346.471 2.367 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001485127773 1191662874 /nfs/dbraw/zinc/66/28/74/1191662874.db2.gz CBJZBJDXJGDWCW-STQMWFEESA-N 1 0 330.432 2.332 10 10 EECERO COc1cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001485139917 1191670046 /nfs/dbraw/zinc/67/00/46/1191670046.db2.gz NCZZCHIFOZEYFD-STQMWFEESA-N 1 0 347.415 2.297 10 10 EECERO COc1nc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001485178358 1191678338 /nfs/dbraw/zinc/67/83/38/1191678338.db2.gz UQJBKGONKREFJP-CHWSQXEVSA-N 1 0 347.415 2.297 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CCOCC(=O)OC(C)(C)C)c1 ZINC000866437150 1201517159 /nfs/dbraw/zinc/51/71/59/1201517159.db2.gz ABMUFAZTZRLCNL-GFCCVEGCSA-N 1 0 325.405 2.410 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]cn2)cc1C ZINC001275361772 1205320915 /nfs/dbraw/zinc/32/09/15/1205320915.db2.gz XRYNAAAUBFKWRN-GJZGRUSLSA-N 1 0 344.459 2.200 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCn2cccc2)cc1C ZINC001275382082 1205331629 /nfs/dbraw/zinc/33/16/29/1205331629.db2.gz MNDXZZQCLIRVDK-INIZCTEOSA-N 1 0 329.444 2.490 10 10 EECERO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929969986 1206523364 /nfs/dbraw/zinc/52/33/64/1206523364.db2.gz GSYLWXDZLFHVSV-DWRORGKVSA-N 1 0 333.428 2.177 10 10 EECERO O=C(NCCCF)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000091706836 1214001318 /nfs/dbraw/zinc/00/13/18/1214001318.db2.gz QBPFWGVWTDEORA-UHFFFAOYSA-N 1 0 348.466 2.377 10 10 EECERO C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000093790839 1214952126 /nfs/dbraw/zinc/95/21/26/1214952126.db2.gz FLHSANAZIZWJQD-DNVCBOLYSA-N 1 0 342.487 2.426 10 10 EECERO CC(=O)c1cc(F)cc(CN2CC[NH2+]CCC23CCOCC3)c1O ZINC000903813955 1242060804 /nfs/dbraw/zinc/06/08/04/1242060804.db2.gz DGMCUVOYIJBACF-UHFFFAOYSA-N 1 0 336.407 2.078 10 10 EECERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000827544651 1248407900 /nfs/dbraw/zinc/40/79/00/1248407900.db2.gz HHYHIKBVKZZCBG-DKFQHHCZSA-N 1 0 330.476 2.454 10 10 EECERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000850353873 1277196338 /nfs/dbraw/zinc/19/63/38/1277196338.db2.gz OSUBXAUDZQVRRA-SXLOBPIMSA-N 1 0 348.487 2.179 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850495809 1277247756 /nfs/dbraw/zinc/24/77/56/1277247756.db2.gz IZDVWUPFIZEJNI-JLTPVHFHSA-N 1 0 325.352 2.362 10 10 EECERO C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000854232234 1292682015 /nfs/dbraw/zinc/68/20/15/1292682015.db2.gz RJMNKIZAIZSBAE-ZDUSSCGKSA-N 1 0 337.439 2.173 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N(C)CC[NH+]3CCCC3)C2)cc1 ZINC000854302279 1292712557 /nfs/dbraw/zinc/71/25/57/1292712557.db2.gz YRLUORFVQVLSND-INIZCTEOSA-N 1 0 346.475 2.011 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)C2)cc1 ZINC000855226512 1293118557 /nfs/dbraw/zinc/11/85/57/1293118557.db2.gz QFVGMKPCNICGLE-KDOFPFPSSA-N 1 0 329.444 2.017 10 10 EECERO CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1O ZINC000858465949 1294124251 /nfs/dbraw/zinc/12/42/51/1294124251.db2.gz RJAAFOZQGMRJPD-APWZRJJASA-N 1 0 334.460 2.049 10 10 EECERO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CN(Cc3ccncc3)CCO1)CC2 ZINC000858564150 1294155057 /nfs/dbraw/zinc/15/50/57/1294155057.db2.gz GCWYEKHODPJVPW-ZWKOTPCHSA-N 1 0 339.439 2.265 10 10 EECERO COc1ccc(N2CC[NH+](CCOC3CCOCC3)CC2)cc1F ZINC000859161805 1294336820 /nfs/dbraw/zinc/33/68/20/1294336820.db2.gz RDYYGEKUXYEGAZ-UHFFFAOYSA-N 1 0 338.423 2.152 10 10 EECERO CN1CCCc2cc(CNC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)ccc21 ZINC000861568249 1295459506 /nfs/dbraw/zinc/45/95/06/1295459506.db2.gz RISQOQSVZKGWNK-BGYRXZFFSA-N 1 0 342.487 2.210 10 10 EECERO C[NH+](C)CCn1ccc(NC(=O)NCc2cccc(Cl)c2O)n1 ZINC001119756389 1309190500 /nfs/dbraw/zinc/19/05/00/1309190500.db2.gz KEWZUNSKVPLXCS-UHFFFAOYSA-N 1 0 337.811 2.125 10 10 EECERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)CC(C)(C)O)C2)cc1C ZINC001278485400 1310594020 /nfs/dbraw/zinc/59/40/20/1310594020.db2.gz UVCXKXJBKOCJRB-HXUWFJFHSA-N 1 0 348.487 2.493 10 10 EECERO O=C(NCCCSc1nccs1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841856926 1315625094 /nfs/dbraw/zinc/62/50/94/1315625094.db2.gz LXHMINCDUFFIPG-OAHLLOKOSA-N 1 0 340.518 2.410 10 10 EECERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000842010560 1315651074 /nfs/dbraw/zinc/65/10/74/1315651074.db2.gz MRZVRKNNRVJVJL-BXKDBHETSA-N 1 0 342.237 2.081 10 10 EECERO COc1c(O)c(CN2CCc3ccccc3[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000843129839 1315849918 /nfs/dbraw/zinc/84/99/18/1315849918.db2.gz RYQXWNPUSGRDII-MRXNPFEDSA-N 1 0 343.383 2.367 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001265555671 1323218989 /nfs/dbraw/zinc/21/89/89/1323218989.db2.gz DJNSDTXGACXWIF-SOLBZPMBSA-N 1 0 334.460 2.411 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2cc(C)on2)cc1C ZINC001320998435 1332994376 /nfs/dbraw/zinc/99/43/76/1332994376.db2.gz FAMWTWCQWNPZNR-PLNGDYQASA-N 1 0 343.427 2.305 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])C3CCCCC3)C2)cc1 ZINC001329937896 1334744847 /nfs/dbraw/zinc/74/48/47/1334744847.db2.gz PSAJTQUKUKEAHI-QAPCUYQASA-N 1 0 331.460 2.298 10 10 EECERO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC[C@H](C)O ZINC001331647641 1335051531 /nfs/dbraw/zinc/05/15/31/1335051531.db2.gz NGWWYOWCQPPMAX-OLZOCXBDSA-N 1 0 349.435 2.060 10 10 EECERO COC[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001571655062 1343263848 /nfs/dbraw/zinc/26/38/48/1343263848.db2.gz XJEGDUCGNKZMGN-ODIFPOPNSA-N 1 0 334.460 2.365 10 10 EECERO CCCCC[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001647082916 1353131544 /nfs/dbraw/zinc/13/15/44/1353131544.db2.gz XLRVLOHFQHSTOF-ROUUACIJSA-N 1 0 335.492 2.413 10 10 EECERO C[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1O ZINC001659815591 1354387605 /nfs/dbraw/zinc/38/76/05/1354387605.db2.gz NOZZPQAYFIWOPG-LBPRGKRZSA-N 1 0 325.368 2.028 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCc2cn[nH]c2)cc1C ZINC001667007390 1355630899 /nfs/dbraw/zinc/63/08/99/1355630899.db2.gz AAYZRQLQGQTHII-HNNXBMFYSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cn[nH]c2)C2CC2)cc1C ZINC001699570471 1405398385 /nfs/dbraw/zinc/39/83/85/1405398385.db2.gz NMNZEDXBDDEYMU-INIZCTEOSA-N 1 0 328.416 2.025 10 10 EECERO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000809710589 783327497 /nfs/dbraw/zinc/32/74/97/783327497.db2.gz UJUQWLCQDPKXKY-CQSZACIVSA-N 1 0 346.880 2.258 10 10 EECERO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001136025370 785017370 /nfs/dbraw/zinc/01/73/70/785017370.db2.gz HQODNWYWQTXUKW-QGZVFWFLSA-N 1 0 345.487 2.214 10 10 EECERO C[NH+](C)C[C@H]1CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997151 785115121 /nfs/dbraw/zinc/11/51/21/785115121.db2.gz UPTWUDDQCBTMJV-OAHLLOKOSA-N 1 0 344.484 2.482 10 10 EECERO C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983975 785134219 /nfs/dbraw/zinc/13/42/19/785134219.db2.gz SVPDBOOSBLNBPF-WLYUNCDWSA-N 1 0 348.447 2.167 10 10 EECERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nccnc3OC)C2)cc1 ZINC000818222810 785223906 /nfs/dbraw/zinc/22/39/06/785223906.db2.gz WDXBDRBQCUFBAD-AWEZNQCLSA-N 1 0 328.416 2.110 10 10 EECERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000825130285 788450670 /nfs/dbraw/zinc/45/06/70/788450670.db2.gz RQPYLIXGRRBZJZ-GXFFZTMASA-N 1 0 330.222 2.126 10 10 EECERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1c(O)cccc1Br ZINC000714327048 794920690 /nfs/dbraw/zinc/92/06/90/794920690.db2.gz IAGOPYMIXYYYEV-SNVBAGLBSA-N 1 0 348.262 2.212 10 10 EECERO CN(C)c1ccc(/C=C\C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000922849499 802075510 /nfs/dbraw/zinc/07/55/10/802075510.db2.gz KPUYOKSHCOEOIZ-QXABKBJSSA-N 1 0 334.485 2.464 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000792935017 810077782 /nfs/dbraw/zinc/07/77/82/810077782.db2.gz CSBRVXRQWJMSIZ-FXAWDEMLSA-N 1 0 347.503 2.364 10 10 EECERO CC[C@@H](CNC(=O)c1cc(C)nn1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494948796 1104593255 /nfs/dbraw/zinc/59/32/55/1104593255.db2.gz OJMGVYANKWRNAF-INIZCTEOSA-N 1 0 344.459 2.344 10 10 EECERO CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+](C)C)cc1 ZINC001456929101 1109370314 /nfs/dbraw/zinc/37/03/14/1109370314.db2.gz GIHLXPGRVDGMGX-INIZCTEOSA-N 1 0 345.403 2.022 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccnn2)cc1C ZINC001505717714 1114148868 /nfs/dbraw/zinc/14/88/68/1114148868.db2.gz XYURGBMLMCSTCT-ZIAGYGMSSA-N 1 0 328.416 2.090 10 10 EECERO CCN(CC)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1 ZINC001540537649 1124085660 /nfs/dbraw/zinc/08/56/60/1124085660.db2.gz DMBMPNJEHCHXTP-RTBURBONSA-N 1 0 347.503 2.336 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)n2cccn2)cc1C ZINC001568982101 1125018884 /nfs/dbraw/zinc/01/88/84/1125018884.db2.gz LQHQVGQXMAFERM-CABCVRRESA-N 1 0 330.432 2.056 10 10 EECERO COc1cccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1O ZINC000093272656 533475574 /nfs/dbraw/zinc/47/55/74/533475574.db2.gz LWPKKIGPMOGSTO-UHFFFAOYSA-N 1 0 328.416 2.292 10 10 EECERO CCCN(Cc1ccccc1O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000066699754 462922080 /nfs/dbraw/zinc/92/20/80/462922080.db2.gz SJXHRRVRRWJBQX-UHFFFAOYSA-N 1 0 349.475 2.426 10 10 EECERO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000278819212 463994942 /nfs/dbraw/zinc/99/49/42/463994942.db2.gz ZEMLFQQHMYGZQJ-CZUORRHYSA-N 1 0 343.851 2.200 10 10 EECERO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000174373357 464400051 /nfs/dbraw/zinc/40/00/51/464400051.db2.gz MVJJYDQGUBTPPQ-MRXNPFEDSA-N 1 0 342.443 2.452 10 10 EECERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000247264706 464662737 /nfs/dbraw/zinc/66/27/37/464662737.db2.gz XTMPVTLPWGCVNL-HSALFYBXSA-N 1 0 346.471 2.292 10 10 EECERO COc1cc(C)cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC000530106495 467951204 /nfs/dbraw/zinc/95/12/04/467951204.db2.gz XOWQCJQOYKSJGD-UHFFFAOYSA-N 1 0 334.460 2.396 10 10 EECERO COc1ccc(O)c(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000771625466 577222052 /nfs/dbraw/zinc/22/20/52/577222052.db2.gz JIGBUQTYZBDOOC-UHFFFAOYSA-N 1 0 340.423 2.465 10 10 EECERO CCOC(=O)CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000768531109 577557879 /nfs/dbraw/zinc/55/78/79/577557879.db2.gz UEZNRWJBKODHLT-UHFFFAOYSA-N 1 0 345.487 2.356 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000757404853 577859540 /nfs/dbraw/zinc/85/95/40/577859540.db2.gz GBJBOTHQCPICPW-PKOBYXMFSA-N 1 0 345.487 2.212 10 10 EECERO O=C(NCCCSc1nccs1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177854700 681551563 /nfs/dbraw/zinc/55/15/63/681551563.db2.gz RUIGJUAEMCUGBJ-LBPRGKRZSA-N 1 0 326.491 2.115 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCc2ccncn2)cc1C ZINC001266943059 1177859958 /nfs/dbraw/zinc/85/99/58/1177859958.db2.gz NMOBFOVHIVWWJK-OAHLLOKOSA-N 1 0 342.443 2.021 10 10 EECERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C[C@@H]1CCCCO1 ZINC001266996105 1178053906 /nfs/dbraw/zinc/05/39/06/1178053906.db2.gz NBSFKIZZYDZQGC-WFASDCNBSA-N 1 0 347.419 2.126 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(C)[nH]c2=O)cc1C ZINC001691489827 1180902245 /nfs/dbraw/zinc/90/22/45/1180902245.db2.gz OADQEDYPLZVFDI-UHFFFAOYSA-N 1 0 343.427 2.274 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccnn2C)C(C)C)cc1C ZINC001268205907 1182007633 /nfs/dbraw/zinc/00/76/33/1182007633.db2.gz OGYRBSXHHXLRLG-MRXNPFEDSA-N 1 0 344.459 2.281 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)n2cccn2)cc1C ZINC001270904111 1185708986 /nfs/dbraw/zinc/70/89/86/1185708986.db2.gz IWVGGCMNIYGITQ-HOTGVXAUSA-N 1 0 344.459 2.398 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCO[C@@H]2C)cc1C ZINC001483076658 1188436504 /nfs/dbraw/zinc/43/65/04/1188436504.db2.gz FPSIAJZMZLJYRF-XQJUWPJRSA-N 1 0 332.444 2.191 10 10 EECERO C[C@@H](O)CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483424095 1190471015 /nfs/dbraw/zinc/47/10/15/1190471015.db2.gz NGXUZGJVIXKORJ-QWHCGFSZSA-N 1 0 349.435 2.060 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000872119364 1198050327 /nfs/dbraw/zinc/05/03/27/1198050327.db2.gz QMXOIOAZRPWVIZ-IKKMQULASA-N 1 0 339.457 2.407 10 10 EECERO COc1cc(O)c(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1OC ZINC000812773520 1200906106 /nfs/dbraw/zinc/90/61/06/1200906106.db2.gz FMEDXEPPSDBGHF-UHFFFAOYSA-N 1 0 331.416 2.312 10 10 EECERO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1O ZINC000867836399 1201691063 /nfs/dbraw/zinc/69/10/63/1201691063.db2.gz RPXGMBBLXXXHTM-ZDUSSCGKSA-N 1 0 334.441 2.493 10 10 EECERO CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1[O-] ZINC000925850738 1206160411 /nfs/dbraw/zinc/16/04/11/1206160411.db2.gz PTJZUPCPCBELIY-DZGCQCFKSA-N 1 0 336.407 2.257 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000926680860 1206237074 /nfs/dbraw/zinc/23/70/74/1206237074.db2.gz STKXWAIJHFVIGY-MAUKXSAKSA-N 1 0 332.444 2.202 10 10 EECERO CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CCS(=O)(=O)C1 ZINC000903364410 1240316805 /nfs/dbraw/zinc/31/68/05/1240316805.db2.gz WAUJGCQGFRUOJJ-NHYWBVRUSA-N 1 0 347.864 2.208 10 10 EECERO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826851084 1248091422 /nfs/dbraw/zinc/09/14/22/1248091422.db2.gz CMZYYGANGPXNJL-NSHDSACASA-N 1 0 337.221 2.268 10 10 EECERO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CO1 ZINC000850060023 1277010844 /nfs/dbraw/zinc/01/08/44/1277010844.db2.gz PQYSPDZOUHQHPU-LZLYRXPVSA-N 1 0 331.460 2.045 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000851663527 1277707312 /nfs/dbraw/zinc/70/73/12/1277707312.db2.gz BCIHHUKWSYBVFJ-RLFYNMQTSA-N 1 0 346.475 2.091 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])C2)cc1 ZINC000852843533 1292213319 /nfs/dbraw/zinc/21/33/19/1292213319.db2.gz ALJLZWYCGPWKLB-YJLNNSPDSA-N 1 0 331.460 2.298 10 10 EECERO CO[C@H](C[NH2+]Cc1c(O)cccc1Br)[C@H]1CCOC1 ZINC000858186733 1294036955 /nfs/dbraw/zinc/03/69/55/1294036955.db2.gz CIPOJLIBGWNDDF-IINYFYTJSA-N 1 0 330.222 2.296 10 10 EECERO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858494128 1294133493 /nfs/dbraw/zinc/13/34/93/1294133493.db2.gz DCVKKJXZUUEGII-QXEWZRGKSA-N 1 0 327.222 2.378 10 10 EECERO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858494515 1294133543 /nfs/dbraw/zinc/13/35/43/1294133543.db2.gz SHVQVDKMIBAQIZ-AVGNSLFASA-N 1 0 337.851 2.091 10 10 EECERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000861573288 1295460571 /nfs/dbraw/zinc/46/05/71/1295460571.db2.gz FXNWTNYPQNETIG-MAUKXSAKSA-N 1 0 330.476 2.473 10 10 EECERO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926872420 1296946818 /nfs/dbraw/zinc/94/68/18/1296946818.db2.gz GKIHXXDVGGTJMD-HUUCEWRRSA-N 1 0 345.487 2.149 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CO[C@H](C)C3)CC2)cc1C ZINC001277102028 1301270703 /nfs/dbraw/zinc/27/07/03/1301270703.db2.gz OYTGFYANJPCIBH-ZBFHGGJFSA-N 1 0 332.444 2.167 10 10 EECERO c1cncc(CNCCC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000841041115 1315461259 /nfs/dbraw/zinc/46/12/59/1315461259.db2.gz DLQZIPFWUKYJRA-UHFFFAOYSA-N 1 0 340.471 2.188 10 10 EECERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850610 1315623316 /nfs/dbraw/zinc/62/33/16/1315623316.db2.gz YHBWFSVGJXWIKT-FZMZJTMJSA-N 1 0 330.457 2.044 10 10 EECERO Cc1ccc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842722985 1315762234 /nfs/dbraw/zinc/76/22/34/1315762234.db2.gz WJORUXQRLTZRFI-AWEZNQCLSA-N 1 0 333.409 2.025 10 10 EECERO CCOc1ccc(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)cc1 ZINC001151503012 1316545799 /nfs/dbraw/zinc/54/57/99/1316545799.db2.gz HUSCEFCAAPITLF-RBUKOAKNSA-N 1 0 345.487 2.464 10 10 EECERO COc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001317643928 1332344740 /nfs/dbraw/zinc/34/47/40/1332344740.db2.gz LFMHGGUXDJWZBV-UHFFFAOYSA-N 1 0 332.400 2.467 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C2=CCCCCC2)cc1C ZINC001320214700 1332849170 /nfs/dbraw/zinc/84/91/70/1332849170.db2.gz OPWSRCJOVRCWBT-SFHVURJKSA-N 1 0 346.471 2.461 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ncccc2O)cc1C ZINC001320404914 1332876545 /nfs/dbraw/zinc/87/65/45/1332876545.db2.gz WEAYAJSQXXWXNU-CQSZACIVSA-N 1 0 343.427 2.402 10 10 EECERO C/C=C(/C)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001327553836 1334313849 /nfs/dbraw/zinc/31/38/49/1334313849.db2.gz DUTTWULKHABUNZ-YHOXVIFXSA-N 1 0 346.471 2.413 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2F)CC1 ZINC001329174033 1334600787 /nfs/dbraw/zinc/60/07/87/1334600787.db2.gz RQLMYVQDMJVOTN-LPHOPBHVSA-N 1 0 333.451 2.235 10 10 EECERO CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@H]3CC)CC2)cc1 ZINC001330370583 1334830975 /nfs/dbraw/zinc/83/09/75/1334830975.db2.gz HUSCEFCAAPITLF-MOPGFXCFSA-N 1 0 345.487 2.464 10 10 EECERO COC(=O)c1c(C[NH2+]CCc2cnn(C)c2)c2cc(F)ccc2n1C ZINC001331552964 1335036101 /nfs/dbraw/zinc/03/61/01/1335036101.db2.gz LQTDEGMANMNMBJ-UHFFFAOYSA-N 1 0 344.390 2.170 10 10 EECERO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC([NH2+]CCCF)C1 ZINC001333149728 1335971243 /nfs/dbraw/zinc/97/12/43/1335971243.db2.gz AKTFQAYQLIJDPN-UHFFFAOYSA-N 1 0 335.383 2.401 10 10 EECERO COCC[NH2+]C1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001570387391 1343063410 /nfs/dbraw/zinc/06/34/10/1343063410.db2.gz JTOYNWMFSUTFBT-UHFFFAOYSA-N 1 0 347.419 2.080 10 10 EECERO C[NH+](C)[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCSC1 ZINC001621216182 1352365098 /nfs/dbraw/zinc/36/50/98/1352365098.db2.gz HDCGMGXJDQNCHS-HNNXBMFYSA-N 1 0 335.433 2.016 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@@H]3CCOC3)C2)cc1C ZINC001656192604 1354213023 /nfs/dbraw/zinc/21/30/23/1354213023.db2.gz YAVLTBYIOGOEPZ-BZSNNMDCSA-N 1 0 346.471 2.415 10 10 EECERO COCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001672183089 1356475481 /nfs/dbraw/zinc/47/54/81/1356475481.db2.gz MJSFYQZZXKNNBW-WBVHZDCISA-N 1 0 334.460 2.367 10 10 EECERO COCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001672183086 1356475561 /nfs/dbraw/zinc/47/55/61/1356475561.db2.gz MJSFYQZZXKNNBW-DOTOQJQBSA-N 1 0 334.460 2.367 10 10 EECERO COC(=O)/C=C\c1ccc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000817132045 784526161 /nfs/dbraw/zinc/52/61/61/784526161.db2.gz YYQNJYDFSPORPU-IUCKJTJTSA-N 1 0 333.388 2.311 10 10 EECERO CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341938 785246105 /nfs/dbraw/zinc/24/61/05/785246105.db2.gz JICXNLOPRHGXOB-CVEARBPZSA-N 1 0 329.448 2.181 10 10 EECERO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000818966684 785332066 /nfs/dbraw/zinc/33/20/66/785332066.db2.gz MSYUXJIKTQFKIU-SFHVURJKSA-N 1 0 349.381 2.020 10 10 EECERO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H](C)C(C)C)CC2)cc1 ZINC000819092822 785398182 /nfs/dbraw/zinc/39/81/82/785398182.db2.gz FIPPRVHLNINPIY-PKOBYXMFSA-N 1 0 349.519 2.060 10 10 EECERO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000824454367 788176498 /nfs/dbraw/zinc/17/64/98/788176498.db2.gz FLECJZNQWBHTEU-SNVBAGLBSA-N 1 0 328.771 2.459 10 10 EECERO CN(C)C(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824529609 788203929 /nfs/dbraw/zinc/20/39/29/788203929.db2.gz OCZQDIBIFDIYMM-UHFFFAOYSA-N 1 0 341.249 2.455 10 10 EECERO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)F ZINC000824637289 788251211 /nfs/dbraw/zinc/25/12/11/788251211.db2.gz XGXCNZQAJKDFTP-HIFRSBDPSA-N 1 0 332.366 2.157 10 10 EECERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1F ZINC000922996779 788524400 /nfs/dbraw/zinc/52/44/00/788524400.db2.gz ZTQJGIZHKUNCHI-CQSZACIVSA-N 1 0 331.439 2.448 10 10 EECERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000846192357 790085580 /nfs/dbraw/zinc/08/55/80/790085580.db2.gz HWLUZCUNNBIKOS-IINYFYTJSA-N 1 0 330.222 2.347 10 10 EECERO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)c1ccc(N2CCOCC2)cc1 ZINC001519157099 1119074293 /nfs/dbraw/zinc/07/42/93/1119074293.db2.gz WREQJJLIZZBILG-MRXNPFEDSA-N 1 0 343.471 2.329 10 10 EECERO COc1ccc(N2CCCN(C(=O)CC[N@@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001543358240 1124128635 /nfs/dbraw/zinc/12/86/35/1124128635.db2.gz AHHMVCJAGGPARS-MRXNPFEDSA-N 1 0 349.450 2.168 10 10 EECERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001543809112 1124135133 /nfs/dbraw/zinc/13/51/33/1124135133.db2.gz FEXJEBFSNNXKCL-PKOBYXMFSA-N 1 0 345.487 2.260 10 10 EECERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000113607193 237162707 /nfs/dbraw/zinc/16/27/07/237162707.db2.gz PUFDDBWDESTXKJ-UKRRQHHQSA-N 1 0 334.439 2.270 10 10 EECERO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(N2CCOCC2)cc1 ZINC000090453674 533525911 /nfs/dbraw/zinc/52/59/11/533525911.db2.gz LEKYPRPFBNAXHW-RHSMWYFYSA-N 1 0 326.444 2.454 10 10 EECERO CCOc1ccc(O)c(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1 ZINC000184765304 465024660 /nfs/dbraw/zinc/02/46/60/465024660.db2.gz VOTNZMNACWXRLZ-UHFFFAOYSA-N 1 0 328.416 2.212 10 10 EECERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026706 465278534 /nfs/dbraw/zinc/27/85/34/465278534.db2.gz BEBMEAXMDYAEFZ-VQIMIIECSA-N 1 0 346.519 2.031 10 10 EECERO COc1cc(O)c(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1OC ZINC000091588974 462888893 /nfs/dbraw/zinc/88/88/93/462888893.db2.gz CVGQOXLBERBKTO-UHFFFAOYSA-N 1 0 347.390 2.266 10 10 EECERO Cc1nc(CN2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000179211675 464082728 /nfs/dbraw/zinc/08/27/28/464082728.db2.gz CTNPGUAXFQLPID-UHFFFAOYSA-N 1 0 336.823 2.445 10 10 EECERO CCC[N@H+](C)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301715363 466016949 /nfs/dbraw/zinc/01/69/49/466016949.db2.gz ZYGZCVJHDQCRIL-GFCCVEGCSA-N 1 0 348.403 2.094 10 10 EECERO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(N5CCOCC5)cc4)[C@H]1[C@H]3C2 ZINC000367689972 466493671 /nfs/dbraw/zinc/49/36/71/466493671.db2.gz SSRGPFAIYLWMAW-CZKCSJLSSA-N 1 0 328.456 2.378 10 10 EECERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OCC)ccc1O ZINC000364326256 466694027 /nfs/dbraw/zinc/69/40/27/466694027.db2.gz GASLKYRKJLQETC-GDBMZVCRSA-N 1 0 337.416 2.333 10 10 EECERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160097695 527954246 /nfs/dbraw/zinc/95/42/46/527954246.db2.gz RKHNHVDTDAMODD-AWEZNQCLSA-N 1 0 336.432 2.290 10 10 EECERO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849174 576069006 /nfs/dbraw/zinc/06/90/06/576069006.db2.gz JNIJHSVYOYISHN-CQSZACIVSA-N 1 0 344.419 2.355 10 10 EECERO C[C@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)c2c1c(F)ccc2O ZINC000756686035 577848521 /nfs/dbraw/zinc/84/85/21/577848521.db2.gz HHDSSTVQIZGOTD-WCQYABFASA-N 1 0 342.436 2.095 10 10 EECERO C[C@@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)c2c1c(F)ccc2O ZINC000756686037 577848543 /nfs/dbraw/zinc/84/85/43/577848543.db2.gz HHDSSTVQIZGOTD-YPMHNXCESA-N 1 0 342.436 2.095 10 10 EECERO C[C@@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)CS(C)(=O)=O ZINC000757842709 577865453 /nfs/dbraw/zinc/86/54/53/577865453.db2.gz CLPIICCVDJLHIT-HOCLYGCPSA-N 1 0 341.473 2.054 10 10 EECERO O=C(NCc1ccc(N2CCCCC2)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895940555 684782998 /nfs/dbraw/zinc/78/29/98/684782998.db2.gz SHQQECJXAZRKKI-LJQANCHMSA-N 1 0 343.471 2.014 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000899939767 693931888 /nfs/dbraw/zinc/93/18/88/693931888.db2.gz BEOJDGGJJQJXLE-IEBWSBKVSA-N 1 0 343.471 2.361 10 10 EECERO O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897769414 691769897 /nfs/dbraw/zinc/76/98/97/691769897.db2.gz PBSKCKNBKZCBNG-GFCCVEGCSA-N 1 0 345.226 2.036 10 10 EECERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C[C@H]1CCCCO1 ZINC001266996101 1178053795 /nfs/dbraw/zinc/05/37/95/1178053795.db2.gz NBSFKIZZYDZQGC-IUODEOHRSA-N 1 0 347.419 2.126 10 10 EECERO CC(C)[N@@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@@H](C)O ZINC001481357318 1181113811 /nfs/dbraw/zinc/11/38/11/1181113811.db2.gz AEHRYIDOAQSUIQ-CYBMUJFWSA-N 1 0 349.435 2.060 10 10 EECERO CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482373118 1185542482 /nfs/dbraw/zinc/54/24/82/1185542482.db2.gz XCMWVKCTRFAAEX-CYBMUJFWSA-N 1 0 349.435 2.324 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000872118779 1198049139 /nfs/dbraw/zinc/04/91/39/1198049139.db2.gz IGKLXUVNSSLQIQ-RLAWYHOSSA-N 1 0 339.457 2.407 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)CC2)cc1 ZINC000872200476 1198082811 /nfs/dbraw/zinc/08/28/11/1198082811.db2.gz QWEIGYAJIVBDLG-AZUAARDMSA-N 1 0 348.487 2.166 10 10 EECERO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000810213495 1199352961 /nfs/dbraw/zinc/35/29/61/1199352961.db2.gz UDCVIKILPJYVQC-GOSISDBHSA-N 1 0 343.475 2.055 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000209653742 1200757620 /nfs/dbraw/zinc/75/76/20/1200757620.db2.gz CNCPOGVCZJCFSJ-PKYBCLHXSA-N 1 0 345.399 2.456 10 10 EECERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@@H](O)C1 ZINC000866494982 1201531585 /nfs/dbraw/zinc/53/15/85/1201531585.db2.gz KRJBHOUHHQUEAV-LZWOXQAQSA-N 1 0 348.443 2.339 10 10 EECERO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1O ZINC000868310206 1201788997 /nfs/dbraw/zinc/78/89/97/1201788997.db2.gz RCBQUQRTCUQNAR-CYBMUJFWSA-N 1 0 341.411 2.318 10 10 EECERO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 ZINC000925055696 1206066067 /nfs/dbraw/zinc/06/60/67/1206066067.db2.gz PEIYVIQBURQHNF-WDYCEAGBSA-N 1 0 346.496 2.366 10 10 EECERO CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000801734747 1236107433 /nfs/dbraw/zinc/10/74/33/1236107433.db2.gz JXHQRWBNVIHBHC-CRAIPNDOSA-N 1 0 335.444 2.448 10 10 EECERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)C1 ZINC000850426520 1277221289 /nfs/dbraw/zinc/22/12/89/1277221289.db2.gz VXJMCDPLGPIKSQ-SJORKVTESA-N 1 0 343.471 2.190 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CCCOC2)C2CC2)cc1C ZINC001490639966 1291506342 /nfs/dbraw/zinc/50/63/42/1291506342.db2.gz CEZQHMTUCFQYAI-ZWKOTPCHSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@](C)([NH3+])c3ccccc3)C2)cc1 ZINC000852900110 1292227299 /nfs/dbraw/zinc/22/72/99/1292227299.db2.gz IGHWCLHZNOJEKE-OXQOHEQNSA-N 1 0 339.439 2.264 10 10 EECERO O=[N+]([O-])c1cc(CNCC23CC(C2)C[NH2+]3)ccc1N1CCCCC1 ZINC000853245768 1292339463 /nfs/dbraw/zinc/33/94/63/1292339463.db2.gz CMINPLIKRUNZQX-UHFFFAOYSA-N 1 0 330.432 2.427 10 10 EECERO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)ccc1O ZINC000858434763 1294116902 /nfs/dbraw/zinc/11/69/02/1294116902.db2.gz OSNSJGSBCLOKGF-BXKDBHETSA-N 1 0 340.221 2.272 10 10 EECERO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000840976818 1315450096 /nfs/dbraw/zinc/45/00/96/1315450096.db2.gz GKTXNQSLDNIRKU-ZDUSSCGKSA-N 1 0 326.437 2.230 10 10 EECERO COc1cc(Br)cc(CN[C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059273 1315465640 /nfs/dbraw/zinc/46/56/40/1315465640.db2.gz OZEYZLJSSGAVAF-BXKDBHETSA-N 1 0 329.238 2.251 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccn[nH]2)C2CC2)cc1C ZINC001317016976 1332045710 /nfs/dbraw/zinc/04/57/10/1332045710.db2.gz MIETZYWTCPLCQV-INIZCTEOSA-N 1 0 328.416 2.025 10 10 EECERO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321552779 1333123779 /nfs/dbraw/zinc/12/37/79/1333123779.db2.gz ZTBNHMNGZYHHDT-KYJSFNMBSA-N 1 0 334.460 2.413 10 10 EECERO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CC1=O ZINC001348085184 1337536293 /nfs/dbraw/zinc/53/62/93/1337536293.db2.gz FNGMTGPVBIKKGC-GBIKHYSHSA-N 1 0 339.233 2.254 10 10 EECERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccn(C(C)(C)C)n2)cc1 ZINC000848393517 1338696796 /nfs/dbraw/zinc/69/67/96/1338696796.db2.gz FOTFKWVQLJPNID-OAHLLOKOSA-N 1 0 329.448 2.134 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001676543650 1357162489 /nfs/dbraw/zinc/16/24/89/1357162489.db2.gz FMJXHNQELGSGFW-ZBFHGGJFSA-N 1 0 336.476 2.253 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001598029260 1349934667 /nfs/dbraw/zinc/93/46/67/1349934667.db2.gz SWYMLUPVTWMVMN-UHFFFAOYSA-N 1 0 332.444 2.365 10 10 EECERO CCn1ccc(CC(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001669564650 1356175942 /nfs/dbraw/zinc/17/59/42/1356175942.db2.gz SSYJFQIODGLRKJ-HNNXBMFYSA-N 1 0 344.459 2.057 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cnn(C)c2)cc1C ZINC001675854345 1357056980 /nfs/dbraw/zinc/05/69/80/1357056980.db2.gz YWZINUYFYPTBDS-OAHLLOKOSA-N 1 0 344.459 2.425 10 10 EECERO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000809710588 783327541 /nfs/dbraw/zinc/32/75/41/783327541.db2.gz UJUQWLCQDPKXKY-AWEZNQCLSA-N 1 0 346.880 2.258 10 10 EECERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824884336 788351624 /nfs/dbraw/zinc/35/16/24/788351624.db2.gz XGSVAGYBVHYLMO-AWEZNQCLSA-N 1 0 343.265 2.043 10 10 EECERO CCON(C)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000846062862 790049806 /nfs/dbraw/zinc/04/98/06/790049806.db2.gz KQJJWZNLPBHCAM-UHFFFAOYSA-N 1 0 333.354 2.271 10 10 EECERO COC(C)(C)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000924005878 796293227 /nfs/dbraw/zinc/29/32/27/796293227.db2.gz GYJCOAXCTILYDM-HNNXBMFYSA-N 1 0 348.491 2.051 10 10 EECERO COc1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001495645816 1101378407 /nfs/dbraw/zinc/37/84/07/1101378407.db2.gz QYHVKJGTOXMUJJ-LBPRGKRZSA-N 1 0 347.415 2.156 10 10 EECERO C[C@H](CC[NH+](C)C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001540458268 1124083349 /nfs/dbraw/zinc/08/33/49/1124083349.db2.gz GRYCSJGTFRJODJ-MRXNPFEDSA-N 1 0 333.476 2.069 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001569008203 1125037800 /nfs/dbraw/zinc/03/78/00/1125037800.db2.gz HPMPMBWLQXXBGX-BJZITVGISA-N 1 0 346.471 2.413 10 10 EECERO CCC[C@@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)[NH+](C)C ZINC000153009089 462605508 /nfs/dbraw/zinc/60/55/08/462605508.db2.gz UNEMWCQPNITJLI-INIZCTEOSA-N 1 0 337.439 2.213 10 10 EECERO COc1cccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000120233006 462976947 /nfs/dbraw/zinc/97/69/47/462976947.db2.gz SJVHXQBWEKIRNM-OAHLLOKOSA-N 1 0 328.416 2.292 10 10 EECERO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273468097 464716582 /nfs/dbraw/zinc/71/65/82/464716582.db2.gz FGBNFDRWLNNYPN-ZJUUUORDSA-N 1 0 325.210 2.486 10 10 EECERO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000295371055 464806819 /nfs/dbraw/zinc/80/68/19/464806819.db2.gz JXICIWIQLXNJCJ-CVEARBPZSA-N 1 0 338.835 2.153 10 10 EECERO COc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000368443502 466636711 /nfs/dbraw/zinc/63/67/11/466636711.db2.gz UEAQZSHQKLYXFV-GOOCMWNKSA-N 1 0 333.432 2.215 10 10 EECERO Oc1cc2c(cc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F)OCO2 ZINC000527747454 467664242 /nfs/dbraw/zinc/66/42/42/467664242.db2.gz XWLPCMZLLRTMSR-ZDUSSCGKSA-N 1 0 329.278 2.211 10 10 EECERO CO[C@@H](C)C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000741054410 578112350 /nfs/dbraw/zinc/11/23/50/578112350.db2.gz NFRQYNUFIDPYDX-INIZCTEOSA-N 1 0 335.492 2.456 10 10 EECERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000120665861 675330313 /nfs/dbraw/zinc/33/03/13/675330313.db2.gz PUXTZRGMCFCZSJ-UHFFFAOYSA-N 1 0 326.400 2.417 10 10 EECERO CN1C[C@H](CC[NH2+]Cc2c(O)cccc2Br)CC1=O ZINC000723588788 676603098 /nfs/dbraw/zinc/60/30/98/676603098.db2.gz ATTTYRBRENLAAJ-SNVBAGLBSA-N 1 0 327.222 2.113 10 10 EECERO OCC1CCN(c2ccc(C[NH2+][C@H]3CN4C[C@@H]3CCC4)cc2)CC1 ZINC000924759210 693794508 /nfs/dbraw/zinc/79/45/08/693794508.db2.gz GNNJJCORPJQABR-ICSRJNTNSA-N 1 0 329.488 2.079 10 10 EECERO COCC1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000895815085 684734360 /nfs/dbraw/zinc/73/43/60/684734360.db2.gz VUURXEWEHXGJLI-UHFFFAOYSA-N 1 0 345.487 2.295 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CCCO2)cc1C ZINC001268517468 1183166858 /nfs/dbraw/zinc/16/68/58/1183166858.db2.gz ZZLQLZOYGHSPNS-LIMHQNJXSA-N 1 0 332.444 2.335 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCCO2)C2CC2)cc1C ZINC001269039042 1183912346 /nfs/dbraw/zinc/91/23/46/1183912346.db2.gz NVYXXEKJVQWDIP-AEFFLSMTSA-N 1 0 332.444 2.167 10 10 EECERO COCC1(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001271036882 1185831699 /nfs/dbraw/zinc/83/16/99/1185831699.db2.gz XZFSJSBKYBZDOY-OAHLLOKOSA-N 1 0 334.460 2.367 10 10 EECERO C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725785 1206240134 /nfs/dbraw/zinc/24/01/34/1206240134.db2.gz UBXFDIZQEGZTDD-XEWABKELSA-N 1 0 329.488 2.078 10 10 EECERO COCCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092010842 1214375645 /nfs/dbraw/zinc/37/56/45/1214375645.db2.gz RVNITMGXJMWYJG-UHFFFAOYSA-N 1 0 345.487 2.261 10 10 EECERO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)ccc1O ZINC000903260612 1240127753 /nfs/dbraw/zinc/12/77/53/1240127753.db2.gz PTJQBYLHLHXTGY-FKTRJACZSA-N 1 0 327.222 2.459 10 10 EECERO CO[C@]1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CCS(=O)(=O)C1 ZINC000903364408 1240316509 /nfs/dbraw/zinc/31/65/09/1240316509.db2.gz WAUJGCQGFRUOJJ-ABAIWWIYSA-N 1 0 347.864 2.208 10 10 EECERO COC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000850488647 1277241484 /nfs/dbraw/zinc/24/14/84/1277241484.db2.gz OIGDQEBBAXTJAW-APWZRJJASA-N 1 0 334.460 2.305 10 10 EECERO COc1cccc([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000850562876 1277266092 /nfs/dbraw/zinc/26/60/92/1277266092.db2.gz PTAARFCCXDHXML-UONOGXRCSA-N 1 0 333.432 2.342 10 10 EECERO Nc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850751599 1277325910 /nfs/dbraw/zinc/32/59/10/1277325910.db2.gz DJOZWTLPGPMBLJ-GOSISDBHSA-N 1 0 340.427 2.157 10 10 EECERO COCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001490581278 1291476718 /nfs/dbraw/zinc/47/67/18/1291476718.db2.gz ZUYREEGUYIPVQD-HNNXBMFYSA-N 1 0 347.419 2.080 10 10 EECERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298309 1292710378 /nfs/dbraw/zinc/71/03/78/1292710378.db2.gz ACHAHPUFVZXUBO-INIZCTEOSA-N 1 0 348.491 2.257 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000855231321 1293122198 /nfs/dbraw/zinc/12/21/98/1293122198.db2.gz KZHFDAVGZDGSDE-OWCLPIDISA-N 1 0 331.460 2.263 10 10 EECERO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CN(Cc3ccncc3)CCO1)CC2 ZINC000858564149 1294155020 /nfs/dbraw/zinc/15/50/20/1294155020.db2.gz GCWYEKHODPJVPW-ROUUACIJSA-N 1 0 339.439 2.265 10 10 EECERO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000861684426 1295505291 /nfs/dbraw/zinc/50/52/91/1295505291.db2.gz DHDGTZXPZSKYEY-CVEARBPZSA-N 1 0 346.475 2.057 10 10 EECERO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840941260 1315441416 /nfs/dbraw/zinc/44/14/16/1315441416.db2.gz VARWMDDXRPBGSC-KGLIPLIRSA-N 1 0 343.851 2.200 10 10 EECERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707153 1315601528 /nfs/dbraw/zinc/60/15/28/1315601528.db2.gz OIDKCENTCNJKFF-WMLDXEAASA-N 1 0 348.516 2.037 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841823653 1315618354 /nfs/dbraw/zinc/61/83/54/1315618354.db2.gz FUXPMKYRPITOQM-LJQANCHMSA-N 1 0 330.476 2.346 10 10 EECERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843433148 1315914289 /nfs/dbraw/zinc/91/42/89/1315914289.db2.gz UYFXGJAJBLNBOF-OAHLLOKOSA-N 1 0 347.356 2.392 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2snnc2C)cc1C ZINC001266124565 1323695851 /nfs/dbraw/zinc/69/58/51/1323695851.db2.gz JSENAJVGTUZPKO-LBPRGKRZSA-N 1 0 348.472 2.462 10 10 EECERO COC[C@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001281991245 1325560197 /nfs/dbraw/zinc/56/01/97/1325560197.db2.gz UBYNYUQBKVGXIB-OOHWJJMZSA-N 1 0 334.460 2.271 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)[C@@H]2CCCO2)cc1C ZINC001317633743 1332339006 /nfs/dbraw/zinc/33/90/06/1332339006.db2.gz REBIPTOXNVMDMY-YJBOKZPZSA-N 1 0 334.460 2.367 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+]CCOCCCO)c1O ZINC001326848289 1334169887 /nfs/dbraw/zinc/16/98/87/1334169887.db2.gz ZQPMEYFRAMMBPY-SNVBAGLBSA-N 1 0 348.237 2.213 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCF)C2)cc1 ZINC001332342766 1335807024 /nfs/dbraw/zinc/80/70/24/1335807024.db2.gz WMNWXEALTVCVDO-BXUZGUMPSA-N 1 0 335.383 2.307 10 10 EECERO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1(C)CC1 ZINC001349028201 1337592624 /nfs/dbraw/zinc/59/26/24/1337592624.db2.gz YWAFXIOPPBSWHL-HNNXBMFYSA-N 1 0 330.476 2.426 10 10 EECERO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000847355784 1337974472 /nfs/dbraw/zinc/97/44/72/1337974472.db2.gz GPDGUASZEBPEIA-OAHLLOKOSA-N 1 0 333.501 2.198 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC(N)=O)c1O ZINC000848534329 1338716648 /nfs/dbraw/zinc/71/66/48/1338716648.db2.gz ZFFRLKSJSUXWFN-SFYZADRCSA-N 1 0 331.210 2.078 10 10 EECERO Cc1cc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)ccc1N1CCCCC1 ZINC001560231603 1342509604 /nfs/dbraw/zinc/50/96/04/1342509604.db2.gz WTSWPHDUVYSBFB-MOPGFXCFSA-N 1 0 332.488 2.408 10 10 EECERO CCOc1nc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001567034159 1342684540 /nfs/dbraw/zinc/68/45/40/1342684540.db2.gz ZXXTZBWKWBDHID-CYBMUJFWSA-N 1 0 347.415 2.298 10 10 EECERO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001587874100 1348873810 /nfs/dbraw/zinc/87/38/10/1348873810.db2.gz CGSIXHCHYHJHRM-AWEZNQCLSA-N 1 0 344.440 2.212 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ncccc2OC)cc1C ZINC001664331559 1355140993 /nfs/dbraw/zinc/14/09/93/1355140993.db2.gz GAVPNOZXDMGCGD-UHFFFAOYSA-N 1 0 343.427 2.269 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2coc(C)n2)cc1C ZINC001666535903 1355541376 /nfs/dbraw/zinc/54/13/76/1355541376.db2.gz MPOUOSOARXVSJV-LBPRGKRZSA-N 1 0 331.416 2.456 10 10 EECERO O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000588404668 759552362 /nfs/dbraw/zinc/55/23/62/759552362.db2.gz MFCKDIIUPUNYBG-XQRVVYSFSA-N 1 0 330.428 2.445 10 10 EECERO CC[NH+]1CCC(CCNC(=O)NCc2cc(OC)ccc2O)CC1 ZINC000174927897 773401858 /nfs/dbraw/zinc/40/18/58/773401858.db2.gz UFCSEHKJKSHXHX-UHFFFAOYSA-N 1 0 335.448 2.322 10 10 EECERO CCN1C[C@H](C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)OC1=O ZINC000846777288 790539155 /nfs/dbraw/zinc/53/91/55/790539155.db2.gz IBIZVJGGAVVXIK-KRWDZBQOSA-N 1 0 333.432 2.048 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000819587647 785597843 /nfs/dbraw/zinc/59/78/43/785597843.db2.gz GDQORALYAUKAPB-ULQDDVLXSA-N 1 0 345.487 2.368 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000820595473 786002323 /nfs/dbraw/zinc/00/23/23/786002323.db2.gz MEIZEANHOQWTPK-OLSJYMTNSA-N 1 0 333.388 2.310 10 10 EECERO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000823851680 787961904 /nfs/dbraw/zinc/96/19/04/787961904.db2.gz VXJLVOLZTMPFNY-HNNXBMFYSA-N 1 0 348.468 2.235 10 10 EECERO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)F ZINC000824637290 788250776 /nfs/dbraw/zinc/25/07/76/788250776.db2.gz XGXCNZQAJKDFTP-UKRRQHHQSA-N 1 0 332.366 2.157 10 10 EECERO O=C1OCC[C@H]2CN(Cc3ccc(Br)cc3O)CCN12 ZINC000824949752 788369611 /nfs/dbraw/zinc/36/96/11/788369611.db2.gz PASPYJQLCJRWAH-LBPRGKRZSA-N 1 0 341.205 2.181 10 10 EECERO COc1cc(O)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000825124317 788447061 /nfs/dbraw/zinc/44/70/61/788447061.db2.gz MZQQGVGWTHKVAZ-OTYXRUKQSA-N 1 0 335.322 2.155 10 10 EECERO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2ccccc2O)C1 ZINC000828036697 789093639 /nfs/dbraw/zinc/09/36/39/789093639.db2.gz XDXMSMSBOUBUGI-UHFFFAOYSA-N 1 0 329.400 2.443 10 10 EECERO COCC[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1 ZINC000846101341 790062589 /nfs/dbraw/zinc/06/25/89/790062589.db2.gz AWLCPWPQMLEKEO-UHFFFAOYSA-N 1 0 347.503 2.066 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000922525506 801243405 /nfs/dbraw/zinc/24/34/05/801243405.db2.gz RKUAUZGAIUTVIA-RBUKOAKNSA-N 1 0 347.528 2.193 10 10 EECERO C[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC001445786131 1091653307 /nfs/dbraw/zinc/65/33/07/1091653307.db2.gz GSLADBLSTVGTME-YOEHRIQHSA-N 1 0 340.423 2.420 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ncccn2)cc1C ZINC001496186069 1102189635 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COc1cccc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)c1O ZINC000121456917 463138793 /nfs/dbraw/zinc/13/87/93/463138793.db2.gz LUSBLEOTSHKELX-UHFFFAOYSA-N 1 0 344.459 2.069 10 10 EECERO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc3c(c1)CCCN3C)CN2 ZINC000058294395 463571608 /nfs/dbraw/zinc/57/16/08/463571608.db2.gz AHIBNEHBXNMJGP-INIZCTEOSA-N 1 0 325.460 2.405 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175225563 464508046 /nfs/dbraw/zinc/50/80/46/464508046.db2.gz RHJVQTCJMRDQRC-IBGZPJMESA-N 1 0 338.455 2.219 10 10 EECERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000089518844 534404639 /nfs/dbraw/zinc/40/46/39/534404639.db2.gz MUFHYUYBZODNJH-LBPRGKRZSA-N 1 0 334.395 2.247 10 10 EECERO CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775709515 577443342 /nfs/dbraw/zinc/44/33/42/577443342.db2.gz HUGPCFKEUXLJQN-IBGZPJMESA-N 1 0 345.487 2.354 10 10 EECERO COc1cccc(O)c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000768856692 577564350 /nfs/dbraw/zinc/56/43/50/577564350.db2.gz LMWUTVPTWMLWLA-UHFFFAOYSA-N 1 0 328.416 2.318 10 10 EECERO Cc1cc(O)c(C[NH+]2CCN(CCC(=O)N(C)C)CC2)cc1C(C)C ZINC000760415622 577662498 /nfs/dbraw/zinc/66/24/98/577662498.db2.gz UYAQFVHPBHQSOM-UHFFFAOYSA-N 1 0 347.503 2.420 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933688918 676831586 /nfs/dbraw/zinc/83/15/86/676831586.db2.gz NDWNCDOSQCUPLI-UXHICEINSA-N 1 0 346.471 2.293 10 10 EECERO COC(=O)c1c(C[NH2+][C@H](CO)CC(F)F)c2cc(F)ccc2n1C ZINC000894566994 682975544 /nfs/dbraw/zinc/97/55/44/682975544.db2.gz OBRYTURFZPQDDT-JTQLQIEISA-N 1 0 344.333 2.210 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000328097420 683147267 /nfs/dbraw/zinc/14/72/67/683147267.db2.gz RGGUNSVXEOXCPU-FUHIMQAGSA-N 1 0 345.487 2.244 10 10 EECERO CC1(C)COC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894980653 683450332 /nfs/dbraw/zinc/45/03/32/683450332.db2.gz VANAJFPDQQJRPK-OAHLLOKOSA-N 1 0 326.387 2.316 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)C2CCC(O)CC2)cc1C ZINC001691303956 1177863219 /nfs/dbraw/zinc/86/32/19/1177863219.db2.gz MSBDIHYDETVSCP-UHFFFAOYSA-N 1 0 334.460 2.103 10 10 EECERO CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819648 1180579583 /nfs/dbraw/zinc/57/95/83/1180579583.db2.gz HAPVTZAKESQIFL-QAPCUYQASA-N 1 0 347.503 2.330 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cnns2)cc1C ZINC001267981201 1180913783 /nfs/dbraw/zinc/91/37/83/1180913783.db2.gz FPPIHWSBLOTAKJ-NSHDSACASA-N 1 0 334.445 2.011 10 10 EECERO COc1cc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)ncn1 ZINC000185610392 1193212099 /nfs/dbraw/zinc/21/20/99/1193212099.db2.gz RNWRMEHIHITRFH-UHFFFAOYSA-N 1 0 328.416 2.130 10 10 EECERO CC[C@H](CNC(=O)C[C@@H]1CCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269382557 1184222214 /nfs/dbraw/zinc/22/22/14/1184222214.db2.gz AQECHHXVCZMIPV-DLBZAZTESA-N 1 0 334.460 2.415 10 10 EECERO CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001168331345 1188297305 /nfs/dbraw/zinc/29/73/05/1188297305.db2.gz DCXJVTKEPCJMNX-MAUKXSAKSA-N 1 0 332.444 2.407 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H](C)CO2)cc1C ZINC001276144030 1205796381 /nfs/dbraw/zinc/79/63/81/1205796381.db2.gz HPVIVIKRGNZWQA-KSSFIOAISA-N 1 0 334.460 2.367 10 10 EECERO O=C(NCc1c(O)cccc1F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000928706886 1206413367 /nfs/dbraw/zinc/41/33/67/1206413367.db2.gz YONRHUHDFVFDBZ-CYBMUJFWSA-N 1 0 338.448 2.365 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2n[nH]cc2C)C2CC2)cc1C ZINC001490661207 1291582354 /nfs/dbraw/zinc/58/23/54/1291582354.db2.gz LQKMRIAYLYNTKA-INIZCTEOSA-N 1 0 342.443 2.333 10 10 EECERO CO[C@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCOC1 ZINC000851840855 1291877396 /nfs/dbraw/zinc/87/73/96/1291877396.db2.gz JVMRIKISGLGBJO-YQVWRLOYSA-N 1 0 335.444 2.425 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)[N@H+](C)C3CC3)C2)cc1 ZINC000852190788 1292033741 /nfs/dbraw/zinc/03/37/41/1292033741.db2.gz HGHHFVNLSQTMMH-GJZGRUSLSA-N 1 0 346.475 2.056 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000855227459 1293119885 /nfs/dbraw/zinc/11/98/85/1293119885.db2.gz ZCHPVVRAZFTYSX-JYJNAYRXSA-N 1 0 331.460 2.120 10 10 EECERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)C1 ZINC000858104722 1294007404 /nfs/dbraw/zinc/00/74/04/1294007404.db2.gz UVEHDXKKAXNWIA-MRXNPFEDSA-N 1 0 342.418 2.212 10 10 EECERO CCOC(=O)C[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000859190307 1294344917 /nfs/dbraw/zinc/34/49/17/1294344917.db2.gz JOKJMXIYKPKTLP-HNNXBMFYSA-N 1 0 333.384 2.302 10 10 EECERO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000862545831 1295874272 /nfs/dbraw/zinc/87/42/72/1295874272.db2.gz DJUGTRXXXARMMY-DGCLKSJQSA-N 1 0 328.334 2.376 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)c1 ZINC000840976839 1315450180 /nfs/dbraw/zinc/45/01/80/1315450180.db2.gz GNTGFXZFBDSNQN-CYBMUJFWSA-N 1 0 325.430 2.129 10 10 EECERO O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841325439 1315531366 /nfs/dbraw/zinc/53/13/66/1315531366.db2.gz KOEXRBFUNRYLDG-UHFFFAOYSA-N 1 0 345.374 2.247 10 10 EECERO C[C@H]([NH2+]CCF)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001279047145 1319080673 /nfs/dbraw/zinc/08/06/73/1319080673.db2.gz VEOZITJETWDOIQ-AAEUAGOBSA-N 1 0 335.383 2.259 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H]2CCCOC2)cc1C ZINC001317286898 1332165569 /nfs/dbraw/zinc/16/55/69/1332165569.db2.gz SZSULCPOWRFGDY-NVXWUHKLSA-N 1 0 334.460 2.415 10 10 EECERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(C)(C)CS(N)(=O)=O ZINC001329375085 1334635732 /nfs/dbraw/zinc/63/57/32/1334635732.db2.gz IAWQPPPTWLAPAK-VXGBXAGGSA-N 1 0 326.462 2.153 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001332548050 1335847016 /nfs/dbraw/zinc/84/70/16/1335847016.db2.gz WOEVLXFANHZIJC-MBOZVWFJSA-N 1 0 346.471 2.103 10 10 EECERO COC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O)OC ZINC000848543856 1338718316 /nfs/dbraw/zinc/71/83/16/1338718316.db2.gz HTAFFCZZALTDKC-KOLCDFICSA-N 1 0 348.237 2.475 10 10 EECERO C[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1O ZINC001659815955 1354387752 /nfs/dbraw/zinc/38/77/52/1354387752.db2.gz ZOKADKFXBDVMNE-LBPRGKRZSA-N 1 0 327.384 2.171 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[C@H]2CCOC2)cc1C ZINC001669269351 1356137578 /nfs/dbraw/zinc/13/75/78/1356137578.db2.gz OPIAOZGRZAKQAK-CVEARBPZSA-N 1 0 334.460 2.415 10 10 EECERO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809713407 783328523 /nfs/dbraw/zinc/32/85/23/783328523.db2.gz HGEWVNIOELBWRA-GOSISDBHSA-N 1 0 345.487 2.404 10 10 EECERO Cc1cc(C[N@@H+]2CCC[C@@](O)(CC(N)=O)C2)ccc1N1CCCCC1 ZINC000818233924 785225725 /nfs/dbraw/zinc/22/57/25/785225725.db2.gz FPOLSGDWQONQMO-HXUWFJFHSA-N 1 0 345.487 2.188 10 10 EECERO O=C(Nc1c(-c2ccccn2)nc2ccccn21)C12CC[NH+](CC1)C2 ZINC000908274835 785290637 /nfs/dbraw/zinc/29/06/37/785290637.db2.gz CSGZLSWSRXJEGC-UHFFFAOYSA-N 1 0 333.395 2.431 10 10 EECERO CC[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000822238045 787086028 /nfs/dbraw/zinc/08/60/28/787086028.db2.gz QUSHBEHVTGYQGR-VQIMIIECSA-N 1 0 345.487 2.370 10 10 EECERO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(O)c1O ZINC000844050541 788818062 /nfs/dbraw/zinc/81/80/62/788818062.db2.gz JWLKQVDFDCOWDW-WBVHZDCISA-N 1 0 340.423 2.481 10 10 EECERO C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000844904179 789445402 /nfs/dbraw/zinc/44/54/02/789445402.db2.gz CMFABEAGMPRNSE-UHFFFAOYSA-N 1 0 331.372 2.318 10 10 EECERO COc1ccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(O)c1 ZINC000792920452 810070679 /nfs/dbraw/zinc/07/06/79/810070679.db2.gz WYIUQMLWKVFMLE-ZIAGYGMSSA-N 1 0 335.448 2.463 10 10 EECERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4cc(O)c(O)cc4s3)[C@H]2C1 ZINC001522677052 1119459274 /nfs/dbraw/zinc/45/92/74/1119459274.db2.gz IOPVAKYFAIENFE-DLOVCJGASA-N 1 0 332.425 2.383 10 10 EECERO C[N@H+](CC(=O)NCCN1CCc2ccccc21)Cc1ccccc1O ZINC000111236003 529834187 /nfs/dbraw/zinc/83/41/87/529834187.db2.gz PVBLWWBTMXAUMB-UHFFFAOYSA-N 1 0 339.439 2.003 10 10 EECERO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(N3CCOCC3)n1)CC2 ZINC000296585702 465225941 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10 10 EECERO CN(C(=O)/C=C\c1cnccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005886 577141781 /nfs/dbraw/zinc/14/17/81/577141781.db2.gz JQHNPBNMODLXNE-WTKPLQERSA-N 1 0 326.400 2.093 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCCC[C@@H]1C)cc2=O ZINC000734001263 577269710 /nfs/dbraw/zinc/26/97/10/577269710.db2.gz PDDGAWIBJOBJNK-LBPRGKRZSA-N 1 0 332.404 2.376 10 10 EECERO COC(=O)c1c(C[NH2+]CC2(N(C)C)CC2)c2cc(F)ccc2n1C ZINC000895025476 683485484 /nfs/dbraw/zinc/48/54/84/683485484.db2.gz RACHGSRVKJOUNC-UHFFFAOYSA-N 1 0 333.407 2.288 10 10 EECERO COCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266772840 1177396429 /nfs/dbraw/zinc/39/64/29/1177396429.db2.gz SQAJMXUREPIDKE-KRWDZBQOSA-N 1 0 334.460 2.368 10 10 EECERO COC[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267032929 1178124123 /nfs/dbraw/zinc/12/41/23/1178124123.db2.gz NMLBLOBRKAEEIO-RDJZCZTQSA-N 1 0 334.460 2.224 10 10 EECERO COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001270316111 1185012173 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332.444 2.333 10 10 EECERO CN(C)c1ccc([C@@H](CNC(=O)[C@@H](O)C2CCCCC2)[NH+](C)C)cc1 ZINC001304769694 1331395987 /nfs/dbraw/zinc/39/59/87/1331395987.db2.gz XSBGPEPLDCAQBF-MOPGFXCFSA-N 1 0 347.503 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2n[nH]cc2F)cc1C ZINC001317406364 1332216824 /nfs/dbraw/zinc/21/68/24/1332216824.db2.gz SYNLDDPTJHVXSG-LBPRGKRZSA-N 1 0 334.395 2.164 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CCOC2)cc1C ZINC001321016031 1332998688 /nfs/dbraw/zinc/99/86/88/1332998688.db2.gz XCAIBIWVXOGEPA-IDOMTICXSA-N 1 0 332.444 2.192 10 10 EECERO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1O ZINC001332020939 1335707413 /nfs/dbraw/zinc/70/74/13/1335707413.db2.gz FQGVHMJJNFABFR-LBPRGKRZSA-N 1 0 333.837 2.111 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)CC(C)(C)O)C2CC2)cc1C ZINC001566708481 1342609483 /nfs/dbraw/zinc/60/94/83/1342609483.db2.gz RUGJQEOYDGINBW-MRXNPFEDSA-N 1 0 334.460 2.149 10 10 EECERO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000070697701 779614437 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10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc[nH]c(=O)c3)CC2)cc1C ZINC001670767713 1180819430 /nfs/dbraw/zinc/81/94/30/1180819430.db2.gz KIQPFQCNCYUMFH-UHFFFAOYSA-N 1 0 341.411 2.156 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cccnn2)C(C)C)cc1C ZINC001268221306 1182031922 /nfs/dbraw/zinc/03/19/22/1182031922.db2.gz LSDTYJSUCBVHDV-KRWDZBQOSA-N 1 0 342.443 2.338 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccnnc2C)cc1C ZINC001268562542 1183262206 /nfs/dbraw/zinc/26/22/06/1183262206.db2.gz ISNCGZAZRZLVPB-PLNGDYQASA-N 1 0 340.427 2.178 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H]2CCCOC2)cc1C ZINC001691608172 1188310635 /nfs/dbraw/zinc/31/06/35/1188310635.db2.gz MFBPFASTQNGNDH-QGZVFWFLSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CO[C@@H](C)C2)cc1C ZINC001483476885 1190498467 /nfs/dbraw/zinc/49/84/67/1190498467.db2.gz KVXRCQBTNJSGFF-DOTOQJQBSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cnn(C)c2C)cc1C ZINC001485122681 1191661863 /nfs/dbraw/zinc/66/18/63/1191661863.db2.gz SSDJEFQIWMLFMP-ZIAGYGMSSA-N 1 0 344.459 2.342 10 10 EECERO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1(S(C)(=O)=O)CC1 ZINC000825887885 1199685058 /nfs/dbraw/zinc/68/50/58/1199685058.db2.gz XEKZHEZWPJTORW-SECBINFHSA-N 1 0 348.262 2.210 10 10 EECERO COc1ccc(N2CCN(C(=O)CCC34CC(C3)C[NH2+]4)CC2)cc1F ZINC000870903339 1200942411 /nfs/dbraw/zinc/94/24/11/1200942411.db2.gz WAKCHNZZRFQNED-UHFFFAOYSA-N 1 0 347.434 2.015 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]cn2)cc1C ZINC001275361771 1205320866 /nfs/dbraw/zinc/32/08/66/1205320866.db2.gz XRYNAAAUBFKWRN-CABCVRRESA-N 1 0 344.459 2.200 10 10 EECERO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000925314207 1206094705 /nfs/dbraw/zinc/09/47/05/1206094705.db2.gz RUEYSYBHSWYWGE-DJIMGWMZSA-N 1 0 347.459 2.175 10 10 EECERO CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930209879 1206541556 /nfs/dbraw/zinc/54/15/56/1206541556.db2.gz KBAHFDKJBWDTMS-QILLFSRXSA-N 1 0 332.444 2.373 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000246049171 1212013339 /nfs/dbraw/zinc/01/33/39/1212013339.db2.gz PHMCVJLBZIALPL-XCRHUMRWSA-N 1 0 348.443 2.221 10 10 EECERO CCOCc1cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)ccc1OC ZINC000796490834 1219409773 /nfs/dbraw/zinc/40/97/73/1219409773.db2.gz OITWNFZYZQOTKG-ZDUSSCGKSA-N 1 0 341.473 2.287 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000850545780 1277264330 /nfs/dbraw/zinc/26/43/30/1277264330.db2.gz FREUSYPPZRYPOS-STQMWFEESA-N 1 0 337.851 2.106 10 10 EECERO [NH3+]Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000852868248 1292221914 /nfs/dbraw/zinc/22/19/14/1292221914.db2.gz BEDRDICMVFVVPV-UHFFFAOYSA-N 1 0 339.439 2.036 10 10 EECERO C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)ccc1O ZINC000858522689 1294142478 /nfs/dbraw/zinc/14/24/78/1294142478.db2.gz HNYJODONEGBEKX-JQWIXIFHSA-N 1 0 329.238 2.136 10 10 EECERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118806244 1308943952 /nfs/dbraw/zinc/94/39/52/1308943952.db2.gz RIMBLDIGUCSEOS-GJRWTSMGSA-N 1 0 335.467 2.479 10 10 EECERO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840875880 1315425615 /nfs/dbraw/zinc/42/56/15/1315425615.db2.gz KDXBOBJYJXGANC-UHFFFAOYSA-N 1 0 334.869 2.115 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)C2CC(C)(C)C2)cc1C ZINC001279704674 1323982288 /nfs/dbraw/zinc/98/22/88/1323982288.db2.gz DSWBMJQGYQGCQV-UHFFFAOYSA-N 1 0 348.487 2.350 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccnnc2)cc1C ZINC001281749300 1325435185 /nfs/dbraw/zinc/43/51/85/1325435185.db2.gz SMYQOOWBQFBEHC-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccc(C)nn2)cc1C ZINC001320421807 1332879685 /nfs/dbraw/zinc/87/96/85/1332879685.db2.gz GJFRBVXBKNEZMU-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccnc(C)n2)cc1C ZINC001329191801 1334603518 /nfs/dbraw/zinc/60/35/18/1334603518.db2.gz FXKFOUQXGXLQRZ-UONOGXRCSA-N 1 0 342.443 2.399 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(=O)[nH]c2)cc1C ZINC001567076860 1342691974 /nfs/dbraw/zinc/69/19/74/1342691974.db2.gz VXNTXLLGWYJQGX-ZDUSSCGKSA-N 1 0 329.400 2.012 10 10 EECERO CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001661694443 1354674164 /nfs/dbraw/zinc/67/41/64/1354674164.db2.gz PTJNEAMWZNSBTF-FPMFFAJLSA-N 1 0 335.383 2.448 10 10 EECERO CCc1nn(C)cc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001662249415 1354768930 /nfs/dbraw/zinc/76/89/30/1354768930.db2.gz JALYREMUGSCONB-AWEZNQCLSA-N 1 0 344.459 2.208 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)c2ccccc2CC[NH3+])cc1 ZINC000846696418 790423102 /nfs/dbraw/zinc/42/31/02/790423102.db2.gz GHBSRIDBLWQIIT-UHFFFAOYSA-N 1 0 341.455 2.405 10 10 EECERO CCOc1ccc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824516020 788197885 /nfs/dbraw/zinc/19/78/85/788197885.db2.gz IRZKWYUOXFPYCR-AWEZNQCLSA-N 1 0 347.436 2.452 10 10 EECERO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000825308595 788561850 /nfs/dbraw/zinc/56/18/50/788561850.db2.gz CFLGDKLEWUFPKC-JIMOISOXSA-N 1 0 339.233 2.254 10 10 EECERO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825337923 788577286 /nfs/dbraw/zinc/57/72/86/788577286.db2.gz IZHDGBFKHYUKSP-CYBMUJFWSA-N 1 0 345.409 2.270 10 10 EECERO COc1ccc(N2CCCN(C(=O)NCCC3(C[NH3+])CC3)CC2)cc1 ZINC000846182691 790082392 /nfs/dbraw/zinc/08/23/92/790082392.db2.gz BXJOYOHIAZOUNI-UHFFFAOYSA-N 1 0 346.475 2.046 10 10 EECERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000793042632 810112519 /nfs/dbraw/zinc/11/25/19/810112519.db2.gz HKBFUHZWNCOIRU-YQVWRLOYSA-N 1 0 345.487 2.436 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC2(C)C)cc1C ZINC001497034355 1101867030 /nfs/dbraw/zinc/86/70/30/1101867030.db2.gz WCFXNSJVYGBQQG-IAGOWNOFSA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001527595671 1120827691 /nfs/dbraw/zinc/82/76/91/1120827691.db2.gz OCQOADNRXBBHPY-SFHVURJKSA-N 1 0 333.476 2.463 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(C)cs2)cc1C ZINC001568558509 1124610024 /nfs/dbraw/zinc/61/00/24/1124610024.db2.gz SJSFXLAUKLVRJL-OAHLLOKOSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n2ccnc2)cc1C ZINC001569021029 1125047825 /nfs/dbraw/zinc/04/78/25/1125047825.db2.gz PRTJSOLWEFPXMN-HZPDHXFCSA-N 1 0 344.459 2.446 10 10 EECERO COc1cccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000093147799 533481786 /nfs/dbraw/zinc/48/17/86/533481786.db2.gz UYKFKPWWKAVVPR-QGZVFWFLSA-N 1 0 333.476 2.003 10 10 EECERO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093530998 463039975 /nfs/dbraw/zinc/03/99/75/463039975.db2.gz VCXMRKBMPPPTIJ-KRWDZBQOSA-N 1 0 346.452 2.183 10 10 EECERO Cn1cc(CN2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)cn1 ZINC000121564982 463158871 /nfs/dbraw/zinc/15/88/71/463158871.db2.gz QOCBIRJWANQKSW-UHFFFAOYSA-N 1 0 334.851 2.487 10 10 EECERO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCNC(=O)C3)cc2)cc1C ZINC000170642672 463687562 /nfs/dbraw/zinc/68/75/62/463687562.db2.gz AMEMLPQOBGIUIM-UHFFFAOYSA-N 1 0 339.439 2.235 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000185025441 463738492 /nfs/dbraw/zinc/73/84/92/463738492.db2.gz SSKVKIPIRKJLMA-LBPRGKRZSA-N 1 0 325.372 2.227 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH+]2CCC1CC2 ZINC000367415611 490770742 /nfs/dbraw/zinc/77/07/42/490770742.db2.gz OXCPYPBSQISNJD-UHFFFAOYSA-N 1 0 328.460 2.276 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000757404848 577859543 /nfs/dbraw/zinc/85/95/43/577859543.db2.gz GBJBOTHQCPICPW-HKUYNNGSSA-N 1 0 345.487 2.212 10 10 EECERO COC(=O)c1c(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)c2cc(F)ccc2n1C ZINC000895314279 684480474 /nfs/dbraw/zinc/48/04/74/684480474.db2.gz KUNOYXRRMATBKD-KLPPZKSPSA-N 1 0 348.374 2.145 10 10 EECERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@@H]21 ZINC000899177359 693647706 /nfs/dbraw/zinc/64/77/06/693647706.db2.gz BBOGNGGUYXKJED-JQWIXIFHSA-N 1 0 332.425 2.479 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1C ZINC001266948652 1177874754 /nfs/dbraw/zinc/87/47/54/1177874754.db2.gz FOZVXZIEPZVCMU-FVQBIDKESA-N 1 0 342.443 2.125 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cccnc2OC)cc1C ZINC001267422235 1178990385 /nfs/dbraw/zinc/99/03/85/1178990385.db2.gz HCMCGKDQFYXNSH-UHFFFAOYSA-N 1 0 343.427 2.269 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ncc[nH]2)C2CC2)cc1C ZINC001483559456 1190549680 /nfs/dbraw/zinc/54/96/80/1190549680.db2.gz FFGSOYNLUCZQQT-HNNXBMFYSA-N 1 0 328.416 2.025 10 10 EECERO COC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483959333 1191128229 /nfs/dbraw/zinc/12/82/29/1191128229.db2.gz QXGGRLJWZYVWDH-WFASDCNBSA-N 1 0 347.419 2.078 10 10 EECERO CC(C)OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485231612 1191699698 /nfs/dbraw/zinc/69/96/98/1191699698.db2.gz IGANYTXGVRNCCZ-QWHCGFSZSA-N 1 0 349.435 2.370 10 10 EECERO COC(=O)[C@H](CC(C)C)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814178751 1199327805 /nfs/dbraw/zinc/32/78/05/1199327805.db2.gz BWKAWXKMEYPQSO-IBGZPJMESA-N 1 0 347.503 2.458 10 10 EECERO CC[C@H]1C[N@H+](C)CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000814938236 1199802304 /nfs/dbraw/zinc/80/23/04/1199802304.db2.gz HNLFDBXFATZOML-OWNNVSBGSA-N 1 0 333.388 2.311 10 10 EECERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)O2)[C@H]1C ZINC000886340813 1202494495 /nfs/dbraw/zinc/49/44/95/1202494495.db2.gz LTEIWBNQLGLIMP-PZOITXESSA-N 1 0 335.400 2.183 10 10 EECERO O=C(NCc1ccccc1O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001137471643 1248668985 /nfs/dbraw/zinc/66/89/85/1248668985.db2.gz UXDUTPIFJKMWAP-FQEVSTJZSA-N 1 0 340.423 2.036 10 10 EECERO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900337481 1234233866 /nfs/dbraw/zinc/23/38/66/1234233866.db2.gz HTFGSTUXPHLLIO-MOPGFXCFSA-N 1 0 343.471 2.156 10 10 EECERO COCCCn1nccc1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346828 1277191133 /nfs/dbraw/zinc/19/11/33/1277191133.db2.gz LFCSBHCOEZMKDO-INIZCTEOSA-N 1 0 344.459 2.297 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccnc(C)n2)cc1C ZINC001317286800 1332165029 /nfs/dbraw/zinc/16/50/29/1332165029.db2.gz RFSHECYPICYALK-ZDUSSCGKSA-N 1 0 328.416 2.010 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2c(C)n[nH]c2C)cc1C ZINC001317657637 1332353605 /nfs/dbraw/zinc/35/36/05/1332353605.db2.gz GWDOUDSCXZIJNE-UHFFFAOYSA-N 1 0 344.459 2.134 10 10 EECERO CC[C@H](CNC(=O)c1ncccn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318590410 1332564425 /nfs/dbraw/zinc/56/44/25/1332564425.db2.gz FHENGSLYDKTNGB-OAHLLOKOSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccccn2)cc1C ZINC001320945189 1332984632 /nfs/dbraw/zinc/98/46/32/1332984632.db2.gz SRJDBYKAXQCSGG-WAYWQWQTSA-N 1 0 325.412 2.474 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ncoc2C)cc1C ZINC001320987287 1332992220 /nfs/dbraw/zinc/99/22/20/1332992220.db2.gz YNGFUVYBDYMWIT-PLNGDYQASA-N 1 0 329.400 2.376 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2cc(C)on2)cc1C ZINC001320998436 1332994534 /nfs/dbraw/zinc/99/45/34/1332994534.db2.gz FAMWTWCQWNPZNR-SNAWJCMRSA-N 1 0 343.427 2.305 10 10 EECERO Cc1cc(C[NH+]2CCN(c3nncn3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000848498713 1338711265 /nfs/dbraw/zinc/71/12/65/1338711265.db2.gz YFUXPLSVTMVWEU-UHFFFAOYSA-N 1 0 343.475 2.449 10 10 EECERO CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000848558262 1338721066 /nfs/dbraw/zinc/72/10/66/1338721066.db2.gz LAAJPPKSRZIQQW-DYVFJYSZSA-N 1 0 342.867 2.225 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2csnn2)cc1C ZINC001674711006 1356881692 /nfs/dbraw/zinc/88/16/92/1356881692.db2.gz VJYAJAWJDUKHIQ-NEPJUHHUSA-N 1 0 334.445 2.152 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2c[nH]nc2C)cc1C ZINC001699122587 1405279514 /nfs/dbraw/zinc/27/95/14/1405279514.db2.gz XNJDGGQFSJLLOT-CYBMUJFWSA-N 1 0 330.432 2.333 10 10 EECERO COC(=O)CCCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809727711 783311930 /nfs/dbraw/zinc/31/19/30/783311930.db2.gz SPLMZNVHNTXCLX-UHFFFAOYSA-N 1 0 338.423 2.485 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@@H](O)CCC3(O)CCC3)CC2)cc1 ZINC000905914865 783571834 /nfs/dbraw/zinc/57/18/34/783571834.db2.gz LHQFVLIYAUINFS-SFHVURJKSA-N 1 0 348.487 2.263 10 10 EECERO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000818964048 785331142 /nfs/dbraw/zinc/33/11/42/785331142.db2.gz IXCHZNCITSYOKB-MRXNPFEDSA-N 1 0 344.377 2.403 10 10 EECERO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1ccc(O)cc1O ZINC000910947476 787149534 /nfs/dbraw/zinc/14/95/34/787149534.db2.gz FOTQPQYXOQWASC-UHFFFAOYSA-N 1 0 326.396 2.162 10 10 EECERO CCOCc1cc(C[NH2+]C[C@H]2CCCCN2CCO)ccc1OC ZINC000824582952 788246171 /nfs/dbraw/zinc/24/61/71/788246171.db2.gz FPUBGTOHCQNTKZ-GOSISDBHSA-N 1 0 336.476 2.168 10 10 EECERO CC(C)C[N@H+](C)CCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000844725179 789329346 /nfs/dbraw/zinc/32/93/46/789329346.db2.gz JQEVWQSDHPTZOM-UHFFFAOYSA-N 1 0 333.432 2.134 10 10 EECERO CCO[C@H](CNCc1c(O)cccc1Br)C[NH+](C)C ZINC000922755323 801823039 /nfs/dbraw/zinc/82/30/39/801823039.db2.gz BFVSOFOOUQWCNR-LLVKDONJSA-N 1 0 331.254 2.211 10 10 EECERO CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020326 529396667 /nfs/dbraw/zinc/39/66/67/529396667.db2.gz FRJNLGYTKJICOB-WOJBJXKFSA-N 1 0 346.471 2.293 10 10 EECERO CCC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000136792579 463258043 /nfs/dbraw/zinc/25/80/43/463258043.db2.gz NMNPKAFPRWNOLF-QGZVFWFLSA-N 1 0 337.439 2.009 10 10 EECERO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H](C)C1 ZINC000278229511 463957148 /nfs/dbraw/zinc/95/71/48/463957148.db2.gz MOGSSKGQTPZUMS-GXTWGEPZSA-N 1 0 337.420 2.471 10 10 EECERO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1O ZINC000194924877 463960288 /nfs/dbraw/zinc/96/02/88/463960288.db2.gz KIGBEGOJBKVKRC-CYBMUJFWSA-N 1 0 332.404 2.229 10 10 EECERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000188418174 464275209 /nfs/dbraw/zinc/27/52/09/464275209.db2.gz HUQPCRNCSSANQH-IBGZPJMESA-N 1 0 326.444 2.384 10 10 EECERO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773220068 577324292 /nfs/dbraw/zinc/32/42/92/577324292.db2.gz PJGGPXNPLLPXIB-MRXNPFEDSA-N 1 0 348.491 2.225 10 10 EECERO CCN(C)c1ccc(C[NH+]2CCC(OCCC(=O)NC)CC2)cc1 ZINC000773752425 577362752 /nfs/dbraw/zinc/36/27/52/577362752.db2.gz BCXAZDIKLQGFRI-UHFFFAOYSA-N 1 0 333.476 2.260 10 10 EECERO COCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775647899 577441818 /nfs/dbraw/zinc/44/18/18/577441818.db2.gz GZCXKOZQGYGUOU-UHFFFAOYSA-N 1 0 340.851 2.329 10 10 EECERO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(N(C)C)cc1 ZINC000776240404 577455526 /nfs/dbraw/zinc/45/55/26/577455526.db2.gz VJFIIKFUFMMMBI-CQSZACIVSA-N 1 0 327.432 2.042 10 10 EECERO CC[C@@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912406 577565539 /nfs/dbraw/zinc/56/55/39/577565539.db2.gz YCAQPZVHNHLLEK-LJQANCHMSA-N 1 0 345.487 2.260 10 10 EECERO CCOC(=O)[C@H](CC1CC1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000753572159 577790132 /nfs/dbraw/zinc/79/01/32/577790132.db2.gz RIPCQZCBKRBKDO-IBGZPJMESA-N 1 0 345.487 2.260 10 10 EECERO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Cl)ccc1O ZINC000756687558 577848514 /nfs/dbraw/zinc/84/85/14/577848514.db2.gz NWEXEZUVAYEGAP-NSHDSACASA-N 1 0 332.853 2.122 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1OC ZINC000895751961 684710932 /nfs/dbraw/zinc/71/09/32/684710932.db2.gz AILHHSPGBHBWFG-HNNXBMFYSA-N 1 0 335.375 2.242 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc1OC ZINC000895820101 684736704 /nfs/dbraw/zinc/73/67/04/684736704.db2.gz MCYTWLKAJPGFIA-YEWDVWPNSA-N 1 0 337.416 2.226 10 10 EECERO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)C1 ZINC000897831059 691795703 /nfs/dbraw/zinc/79/57/03/691795703.db2.gz BQQBFLMQBXXJSL-QGZVFWFLSA-N 1 0 332.425 2.480 10 10 EECERO COc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000927040047 693201911 /nfs/dbraw/zinc/20/19/11/693201911.db2.gz SXHMKXVTTCHUAJ-ODWCKFRGSA-N 1 0 325.430 2.160 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ncccn2)C2CC2)cc1C ZINC001670532373 1176869200 /nfs/dbraw/zinc/86/92/00/1176869200.db2.gz AMWBVDLFCKILDH-MRXNPFEDSA-N 1 0 340.427 2.092 10 10 EECERO COc1cc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)ncn1 ZINC000185611308 1193212381 /nfs/dbraw/zinc/21/23/81/1193212381.db2.gz ZJFVTDIZINKTKD-UHFFFAOYSA-N 1 0 328.416 2.130 10 10 EECERO CCOCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001270671799 1185299142 /nfs/dbraw/zinc/29/91/42/1185299142.db2.gz JKEVVBKDZASWTA-IBGZPJMESA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2snnc2C)cc1C ZINC001483108291 1188490723 /nfs/dbraw/zinc/49/07/23/1188490723.db2.gz DEOFSBGOOHKZOQ-LLVKDONJSA-N 1 0 334.445 2.072 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cncn2C)C2CC2)cc1C ZINC001483573634 1190563528 /nfs/dbraw/zinc/56/35/28/1190563528.db2.gz XCUAQKDCWITZDH-INIZCTEOSA-N 1 0 342.443 2.035 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2ccon2)cc1C ZINC001272696567 1191656248 /nfs/dbraw/zinc/65/62/48/1191656248.db2.gz WJNGFPHMNXOVGX-AWEZNQCLSA-N 1 0 331.416 2.219 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000872119365 1198050072 /nfs/dbraw/zinc/05/00/72/1198050072.db2.gz QMXOIOAZRPWVIZ-YPRXJGMQSA-N 1 0 339.457 2.407 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872210270 1198088630 /nfs/dbraw/zinc/08/86/30/1198088630.db2.gz SSKGTZZQVLMOHW-RYGJVYDSSA-N 1 0 334.504 2.494 10 10 EECERO Fc1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)ccc1N1CCOCC1 ZINC000865692505 1198334695 /nfs/dbraw/zinc/33/46/95/1198334695.db2.gz LXMLGOSXQKVPAK-LTFPAQTLSA-N 1 0 332.419 2.175 10 10 EECERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000825893210 1199729867 /nfs/dbraw/zinc/72/98/67/1199729867.db2.gz SBLWMYBOYKOLEZ-JFUSQASVSA-N 1 0 328.206 2.442 10 10 EECERO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CO[C@@H](C)[C@H]3C)CC2)cc1 ZINC000924579544 1205999236 /nfs/dbraw/zinc/99/92/36/1205999236.db2.gz KUOQGRVEQZLUGM-FUHIMQAGSA-N 1 0 347.503 2.220 10 10 EECERO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924762214 1206028703 /nfs/dbraw/zinc/02/87/03/1206028703.db2.gz YNAGVIYAFPCRDT-SFHVURJKSA-N 1 0 334.460 2.136 10 10 EECERO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929969988 1206523601 /nfs/dbraw/zinc/52/36/01/1206523601.db2.gz GSYLWXDZLFHVSV-VUHPKUFZSA-N 1 0 333.428 2.177 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900292764 1234168329 /nfs/dbraw/zinc/16/83/29/1234168329.db2.gz JGJXRXSIXLWBBW-HXUWFJFHSA-N 1 0 347.503 2.336 10 10 EECERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)CS1(=O)=O ZINC000827164305 1250320674 /nfs/dbraw/zinc/32/06/74/1250320674.db2.gz FRCDXFXFRNTERY-SKDRFNHKSA-N 1 0 348.262 2.210 10 10 EECERO CC[C@@H](O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311367 1247883150 /nfs/dbraw/zinc/88/31/50/1247883150.db2.gz YXWAYKSKIPOFLM-HUUCEWRRSA-N 1 0 340.851 2.287 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000850072551 1277017235 /nfs/dbraw/zinc/01/72/35/1277017235.db2.gz BLLOVVOGHAWLJH-GDIGMMSISA-N 1 0 346.471 2.183 10 10 EECERO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000852696449 1292167739 /nfs/dbraw/zinc/16/77/39/1292167739.db2.gz AYIOXSCGBUSYDA-ZDUSSCGKSA-N 1 0 336.407 2.471 10 10 EECERO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000852784252 1292196496 /nfs/dbraw/zinc/19/64/96/1292196496.db2.gz HIKJNRKRWMRAEV-MJGOQNOKSA-N 1 0 345.487 2.260 10 10 EECERO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000862408158 1295834242 /nfs/dbraw/zinc/83/42/42/1295834242.db2.gz WKAZZPYBXPCNHZ-LLVKDONJSA-N 1 0 337.221 2.268 10 10 EECERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118806245 1308944223 /nfs/dbraw/zinc/94/42/23/1308944223.db2.gz RIMBLDIGUCSEOS-NXEZDXNNSA-N 1 0 335.467 2.479 10 10 EECERO COc1c([O-])c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043963 1315827528 /nfs/dbraw/zinc/82/75/28/1315827528.db2.gz DUIBYEOZHBQNBB-TZMCWYRMSA-N 1 0 335.404 2.273 10 10 EECERO COc1ccc(CNC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350488 1315897588 /nfs/dbraw/zinc/89/75/88/1315897588.db2.gz SLACGWHZRBPIOK-UHFFFAOYSA-N 1 0 339.439 2.223 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2occc2C)cc1C ZINC001278730865 1317885682 /nfs/dbraw/zinc/88/56/82/1317885682.db2.gz HRBMJDZPYRRBIF-MRXNPFEDSA-N 1 0 346.427 2.128 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H]3CCC4(COC4)O3)CC2)cc1 ZINC001262234425 1322259348 /nfs/dbraw/zinc/25/93/48/1322259348.db2.gz COGYEBJDTMAFCM-SFHVURJKSA-N 1 0 332.444 2.155 10 10 EECERO Cc1nocc1C[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001491692278 1330208154 /nfs/dbraw/zinc/20/81/54/1330208154.db2.gz YNNNAENVIACLMG-SNVBAGLBSA-N 1 0 344.375 2.054 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]3C)CCOCC2)cc1C ZINC001324983813 1333802674 /nfs/dbraw/zinc/80/26/74/1333802674.db2.gz RCGIRAIYTCCJKT-WMLDXEAASA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1F ZINC001326687719 1334143167 /nfs/dbraw/zinc/14/31/67/1334143167.db2.gz KGFKQFNSHPPTOY-GDBMZVCRSA-N 1 0 335.423 2.000 10 10 EECERO COCn1ncc(C)c1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001327199926 1334245007 /nfs/dbraw/zinc/24/50/07/1334245007.db2.gz OFLNDPCKVPNGKJ-HNNXBMFYSA-N 1 0 330.432 2.173 10 10 EECERO C[NH+]1CCC(n2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)cn2)CC1 ZINC001329652875 1334691113 /nfs/dbraw/zinc/69/11/13/1334691113.db2.gz NOKBLTCEIDIBPT-HWKANZROSA-N 1 0 342.399 2.213 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccncn2)cc1C ZINC001331593860 1335042536 /nfs/dbraw/zinc/04/25/36/1335042536.db2.gz KBBWDOHOHBCJBN-CQSZACIVSA-N 1 0 328.416 2.044 10 10 EECERO CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CCS(=O)(=O)C1 ZINC001333162787 1335973718 /nfs/dbraw/zinc/97/37/18/1335973718.db2.gz HELYMCXWUVEDNQ-DCGLDWPTSA-N 1 0 339.457 2.042 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)CC2CCC2)cc1C ZINC001571575700 1343241904 /nfs/dbraw/zinc/24/19/04/1343241904.db2.gz BUCAJOZALZRELN-KRWDZBQOSA-N 1 0 334.460 2.103 10 10 EECERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1sccc1C(N)=O ZINC001655349862 1354171124 /nfs/dbraw/zinc/17/11/24/1354171124.db2.gz WNKHIRITSCARGC-UWVGGRQHSA-N 1 0 333.413 2.230 10 10 EECERO C[C@H](NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000846674272 790367335 /nfs/dbraw/zinc/36/73/35/790367335.db2.gz VUMVVWQFBXGHFQ-ZOCIIQOWSA-N 1 0 343.471 2.231 10 10 EECERO COC(=O)c1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000809732299 783314448 /nfs/dbraw/zinc/31/44/48/783314448.db2.gz ACLGXTAYAKTQOP-UHFFFAOYSA-N 1 0 331.368 2.486 10 10 EECERO O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)ccc1N1CCCCC1 ZINC000846102093 790062562 /nfs/dbraw/zinc/06/25/62/790062562.db2.gz CGZPILDBGWKBBL-ZEUIUJOJSA-N 1 0 349.456 2.290 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1nn(C)cc1C ZINC001497391849 1102422183 /nfs/dbraw/zinc/42/21/83/1102422183.db2.gz ZQFNEXNAURCFFG-UHFFFAOYSA-N 1 0 344.459 2.297 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001452830388 1105715898 /nfs/dbraw/zinc/71/58/98/1105715898.db2.gz CPOMYAWFUAWYNS-HOTGVXAUSA-N 1 0 333.476 2.463 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000527953603 317292235 /nfs/dbraw/zinc/29/22/35/317292235.db2.gz IRCLYORAFNWIDM-CUOATXAZSA-N 1 0 330.222 2.345 10 10 EECERO CN1CCc2cc(C[NH2+]C[C@@H]3CCO[C@H]3c3ccnn3C)ccc21 ZINC000328622913 465075103 /nfs/dbraw/zinc/07/51/03/465075103.db2.gz BPKZDEBICLTDNI-QFBILLFUSA-N 1 0 326.444 2.280 10 10 EECERO CCOc1ccnc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000121515709 463149420 /nfs/dbraw/zinc/14/94/20/463149420.db2.gz GHGMMZCTSAODIT-UHFFFAOYSA-N 1 0 328.416 2.212 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 ZINC000058299750 463572683 /nfs/dbraw/zinc/57/26/83/463572683.db2.gz FSLVMQDJAPGDMI-JKSUJKDBSA-N 1 0 341.459 2.112 10 10 EECERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000284399361 464178124 /nfs/dbraw/zinc/17/81/24/464178124.db2.gz MZBNLWZQXSLTRS-CQSZACIVSA-N 1 0 336.432 2.290 10 10 EECERO CCn1cc(CN2CCC[N@H+](Cc3cc(OC)ccc3O)CC2)cn1 ZINC000180112046 464243906 /nfs/dbraw/zinc/24/39/06/464243906.db2.gz ZLFGTWNTTBDRSY-UHFFFAOYSA-N 1 0 344.459 2.325 10 10 EECERO COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000266063663 464763702 /nfs/dbraw/zinc/76/37/02/464763702.db2.gz ZOVZPGWWXLTRJN-RCQQVGEISA-N 1 0 333.388 2.311 10 10 EECERO COc1cc(Br)cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000372364275 466331355 /nfs/dbraw/zinc/33/13/55/466331355.db2.gz FUIBCIOYSQZFAZ-GFCCVEGCSA-N 1 0 328.206 2.120 10 10 EECERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c(O)c1C ZINC000368211180 466588369 /nfs/dbraw/zinc/58/83/69/466588369.db2.gz CEUVYVYPZORWEY-YOEHRIQHSA-N 1 0 332.444 2.440 10 10 EECERO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)[C@H](C)[NH3+])CCCC1 ZINC000653144197 471506254 /nfs/dbraw/zinc/50/62/54/471506254.db2.gz GYCLBAUPYUBMDH-QWHCGFSZSA-N 1 0 329.444 2.381 10 10 EECERO Cc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000093142938 534194594 /nfs/dbraw/zinc/19/45/94/534194594.db2.gz PGNAYUIOWZHYMW-UHFFFAOYSA-N 1 0 345.487 2.077 10 10 EECERO COC(=O)/C=C\c1ccc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000728569440 576507154 /nfs/dbraw/zinc/50/71/54/576507154.db2.gz SFMDEVQRPIWTCN-VURMDHGXSA-N 1 0 333.388 2.313 10 10 EECERO C[NH+]1CCN(c2ccc(/C=C3\N=C(c4cccnc4)OC3=O)cc2)CC1 ZINC000771519519 577216574 /nfs/dbraw/zinc/21/65/74/577216574.db2.gz GRBSVVZKLUZMRM-AQTBWJFISA-N 1 0 348.406 2.178 10 10 EECERO C[C@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000775836997 577446951 /nfs/dbraw/zinc/44/69/51/577446951.db2.gz QAFNUCLTDJDWQL-KBXCAEBGSA-N 1 0 331.460 2.041 10 10 EECERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OCC)cc1O ZINC000776014481 577450464 /nfs/dbraw/zinc/45/04/64/577450464.db2.gz RYFIPCBPJRPIPR-ZBFHGGJFSA-N 1 0 337.416 2.333 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000899939766 693932236 /nfs/dbraw/zinc/93/22/36/693932236.db2.gz BEOJDGGJJQJXLE-HKUYNNGSSA-N 1 0 343.471 2.361 10 10 EECERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCOC2)C2CC2)cc1C ZINC001267849053 1180628391 /nfs/dbraw/zinc/62/83/91/1180628391.db2.gz LXUXCOPWLPQKJG-OXQOHEQNSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cnc(C)cn2)cc1C ZINC001268344282 1182289178 /nfs/dbraw/zinc/28/91/78/1182289178.db2.gz XKHVSNWLMWHSHY-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COc1cccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001268710627 1183630384 /nfs/dbraw/zinc/63/03/84/1183630384.db2.gz OXVHVWNQHOYFEF-AWEZNQCLSA-N 1 0 343.427 2.315 10 10 EECERO CCn1ncc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001268709563 1183633035 /nfs/dbraw/zinc/63/30/35/1183633035.db2.gz OPWCSHGGIPEFNP-AWEZNQCLSA-N 1 0 344.459 2.437 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2n[nH]cc2F)cc1C ZINC001270508382 1185136477 /nfs/dbraw/zinc/13/64/77/1185136477.db2.gz SYTFHIONALLCBH-NSHDSACASA-N 1 0 334.395 2.022 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C(C)C)cc1C ZINC001271885082 1186578530 /nfs/dbraw/zinc/57/85/30/1186578530.db2.gz MNYAHDVWNTVPHQ-MJQMVNBJSA-N 1 0 346.471 2.126 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C2CCCC2)cc1C ZINC001482784650 1187720995 /nfs/dbraw/zinc/72/09/95/1187720995.db2.gz LDUZEOSCDUWCNS-YJBOKZPZSA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]cn2)cc1C ZINC001483175924 1189027369 /nfs/dbraw/zinc/02/73/69/1189027369.db2.gz XRYNAAAUBFKWRN-HUUCEWRRSA-N 1 0 344.459 2.200 10 10 EECERO COC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483959332 1191128110 /nfs/dbraw/zinc/12/81/10/1191128110.db2.gz QXGGRLJWZYVWDH-DOMZBBRYSA-N 1 0 347.419 2.078 10 10 EECERO CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)CS(N)(=O)=O ZINC000865814746 1198388181 /nfs/dbraw/zinc/38/81/81/1198388181.db2.gz IWLJCDZOQBVXPP-UHFFFAOYSA-N 1 0 339.505 2.081 10 10 EECERO CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000868264445 1201778131 /nfs/dbraw/zinc/77/81/31/1201778131.db2.gz MJXAQGDOZLANHQ-UHFFFAOYSA-N 1 0 344.459 2.074 10 10 EECERO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cc3c(cc1O)OCO3)O2 ZINC000886340811 1202494419 /nfs/dbraw/zinc/49/44/19/1202494419.db2.gz LTEIWBNQLGLIMP-BKTMZONDSA-N 1 0 335.400 2.183 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2CCOC2)cc1C ZINC001274690003 1205132207 /nfs/dbraw/zinc/13/22/07/1205132207.db2.gz QKMLQYUQZRPFTK-RDJZCZTQSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@]2(C)CCOC2)cc1C ZINC001276297508 1205873066 /nfs/dbraw/zinc/87/30/66/1205873066.db2.gz KPZFXHJLYISTFF-IBGZPJMESA-N 1 0 334.460 2.368 10 10 EECERO CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1[O-] ZINC000925850740 1206160394 /nfs/dbraw/zinc/16/03/94/1206160394.db2.gz PTJZUPCPCBELIY-HIFRSBDPSA-N 1 0 336.407 2.257 10 10 EECERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000159504755 1208468499 /nfs/dbraw/zinc/46/84/99/1208468499.db2.gz QRYRCBPVDIIZDX-VHSXEESVSA-N 1 0 327.222 2.241 10 10 EECERO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900337484 1234233828 /nfs/dbraw/zinc/23/38/28/1234233828.db2.gz HTFGSTUXPHLLIO-RTBURBONSA-N 1 0 343.471 2.156 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000850485454 1277243590 /nfs/dbraw/zinc/24/35/90/1277243590.db2.gz IVXVFGLIVWPDKO-GFCCVEGCSA-N 1 0 327.446 2.266 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000852844782 1292213967 /nfs/dbraw/zinc/21/39/67/1292213967.db2.gz ZQFWFXGTCIOORU-NVXWUHKLSA-N 1 0 345.487 2.416 10 10 EECERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862235470 1295762092 /nfs/dbraw/zinc/76/20/92/1295762092.db2.gz SOFNJZZVTDKWMJ-JTQLQIEISA-N 1 0 327.222 2.385 10 10 EECERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccc(F)cn1 ZINC000799294014 1305214629 /nfs/dbraw/zinc/21/46/29/1305214629.db2.gz TZAJZXQYPWUSRE-IBGZPJMESA-N 1 0 345.418 2.223 10 10 EECERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC001118803983 1308944263 /nfs/dbraw/zinc/94/42/63/1308944263.db2.gz UQQQATCNNGCWID-HZMBPMFUSA-N 1 0 346.265 2.402 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c(Cl)c1 ZINC000840948173 1315443207 /nfs/dbraw/zinc/44/32/07/1315443207.db2.gz ALMPYLBFPZRRNE-CYBMUJFWSA-N 1 0 336.823 2.275 10 10 EECERO O=S1(=O)C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)Oc2ccccc21 ZINC000842883527 1315791673 /nfs/dbraw/zinc/79/16/73/1315791673.db2.gz KAAGOMZEJOQGJW-KGLIPLIRSA-N 1 0 345.420 2.204 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2cnccn2)cc1C ZINC001317277743 1332162287 /nfs/dbraw/zinc/16/22/87/1332162287.db2.gz WJGQDTXUYSSSRN-HNNXBMFYSA-N 1 0 342.443 2.021 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001321089267 1333016601 /nfs/dbraw/zinc/01/66/01/1333016601.db2.gz ANYMSSDIEADGOZ-WAYWQWQTSA-N 1 0 345.487 2.250 10 10 EECERO COCc1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001321674483 1333141859 /nfs/dbraw/zinc/14/18/59/1333141859.db2.gz RVXOVHAIYXYSHH-CYBMUJFWSA-N 1 0 347.415 2.046 10 10 EECERO C[C@@H]([NH3+])CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001329239058 1334613176 /nfs/dbraw/zinc/61/31/76/1334613176.db2.gz IGOSGWDKUPCNEX-QAPCUYQASA-N 1 0 333.476 2.388 10 10 EECERO CN1CCCc2cc(CNC(=O)N[C@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)ccc21 ZINC001347326527 1337504130 /nfs/dbraw/zinc/50/41/30/1337504130.db2.gz JKQQCMKHZOFZQV-BZSNNMDCSA-N 1 0 342.487 2.208 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+]C2COCCOC2)c1O ZINC000848551233 1338720277 /nfs/dbraw/zinc/72/02/77/1338720277.db2.gz GWHYWMXGYXZEIE-SECBINFHSA-N 1 0 346.221 2.229 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)C2)cc1 ZINC000849321550 1339152633 /nfs/dbraw/zinc/15/26/33/1339152633.db2.gz HVFXBVNVWBYCOF-MAUKXSAKSA-N 1 0 343.402 2.229 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ncccc2O)cc1C ZINC001666535345 1355540700 /nfs/dbraw/zinc/54/07/00/1355540700.db2.gz ARGBNSQKNZISQW-ZDUSSCGKSA-N 1 0 343.427 2.260 10 10 EECERO CCCn1nccc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567503837 1342773122 /nfs/dbraw/zinc/77/31/22/1342773122.db2.gz MBVUBCUEWHISDG-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)CC[N@@H+]3CC[C@H](F)C3)C2)cc1 ZINC001643346672 1352746492 /nfs/dbraw/zinc/74/64/92/1352746492.db2.gz OPAZLBKHXHCEKZ-HOTGVXAUSA-N 1 0 349.450 2.072 10 10 EECERO CC[C@@H](OC)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001656121871 1354205791 /nfs/dbraw/zinc/20/57/91/1354205791.db2.gz DKGPBTAOKWDNLU-IXDOHACOSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)n2cccn2)cc1C ZINC001698741892 1405041277 /nfs/dbraw/zinc/04/12/77/1405041277.db2.gz YFJVDZBUQWHEOK-ZBFHGGJFSA-N 1 0 344.459 2.303 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2conc2C)cc1C ZINC001698765528 1405049716 /nfs/dbraw/zinc/04/97/16/1405049716.db2.gz NXTBXXUFGMXPEM-GFCCVEGCSA-N 1 0 331.416 2.456 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cnsn2)cc1C ZINC001698817940 1405086688 /nfs/dbraw/zinc/08/66/88/1405086688.db2.gz KDFLKDCRZNTHJY-GFCCVEGCSA-N 1 0 334.445 2.105 10 10 EECERO COc1cc(Cl)cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000809703313 783318842 /nfs/dbraw/zinc/31/88/42/783318842.db2.gz IAMCGSAORFBWEZ-SECBINFHSA-N 1 0 333.837 2.110 10 10 EECERO O=C1OCCN1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825216204 788506180 /nfs/dbraw/zinc/50/61/80/788506180.db2.gz ZMPMLTCAISNRJF-UHFFFAOYSA-N 1 0 329.194 2.087 10 10 EECERO CC(=O)c1cc(F)cc(C[NH+]2CCC(Cn3cnnc3)CC2)c1O ZINC000844414148 789081246 /nfs/dbraw/zinc/08/12/46/789081246.db2.gz YWJNYAHPACJATB-UHFFFAOYSA-N 1 0 332.379 2.238 10 10 EECERO COCC[NH2+]C1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000846159260 790066851 /nfs/dbraw/zinc/06/68/51/790066851.db2.gz DOZLQKVBWDEWPF-OAHLLOKOSA-N 1 0 348.491 2.224 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000922525504 801243775 /nfs/dbraw/zinc/24/37/75/801243775.db2.gz RKUAUZGAIUTVIA-MOPGFXCFSA-N 1 0 347.528 2.193 10 10 EECERO COC(=O)c1cnc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000922834465 801999071 /nfs/dbraw/zinc/99/90/71/801999071.db2.gz MHUWJAOHEAOLOO-UHFFFAOYSA-N 1 0 337.420 2.467 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccnnc2C)cc1C ZINC001568285090 1124404511 /nfs/dbraw/zinc/40/45/11/1124404511.db2.gz ZYSGDGYXRRVAOD-AWEZNQCLSA-N 1 0 342.443 2.352 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)Cc2ncc[nH]2)C(C)C)cc1C ZINC001568465101 1124527626 /nfs/dbraw/zinc/52/76/26/1124527626.db2.gz AZUJCNQUWFJDGL-MRXNPFEDSA-N 1 0 344.459 2.200 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n2ccnc2)cc1C ZINC001569021028 1125047303 /nfs/dbraw/zinc/04/73/03/1125047303.db2.gz PRTJSOLWEFPXMN-CVEARBPZSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(F)cn2)cc1C ZINC001569054070 1125067668 /nfs/dbraw/zinc/06/76/68/1125067668.db2.gz ZFVVNEPYQWYSIW-ZDUSSCGKSA-N 1 0 331.391 2.446 10 10 EECERO C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000055710813 258061382 /nfs/dbraw/zinc/06/13/82/258061382.db2.gz BRSOGVVSRLQKNJ-CQSZACIVSA-N 1 0 340.427 2.030 10 10 EECERO c1cnc(N2CCOCC2)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000054174544 132190423 /nfs/dbraw/zinc/19/04/23/132190423.db2.gz GYJNWONBTAPAKM-UHFFFAOYSA-N 1 0 325.412 2.143 10 10 EECERO c1cnn(-c2ncccc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000040153241 132399192 /nfs/dbraw/zinc/39/91/92/132399192.db2.gz LQNFAMDOFBGJOJ-UHFFFAOYSA-N 1 0 349.438 2.394 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C ZINC000042668004 463585989 /nfs/dbraw/zinc/58/59/89/463585989.db2.gz QBLGPVBQPAXKTL-INIZCTEOSA-N 1 0 332.444 2.080 10 10 EECERO Nc1ccc(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000189028063 464418283 /nfs/dbraw/zinc/41/82/83/464418283.db2.gz BYHKBWZKSUTYNJ-CRAIPNDOSA-N 1 0 345.393 2.351 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000245584543 464496294 /nfs/dbraw/zinc/49/62/94/464496294.db2.gz ADRBBDJFUUUNHD-CABCVRRESA-N 1 0 334.439 2.270 10 10 EECERO COc1ccc(O)c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000191908436 534199559 /nfs/dbraw/zinc/19/95/59/534199559.db2.gz PBDAPMSIGXZYBF-UHFFFAOYSA-N 1 0 332.404 2.229 10 10 EECERO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 ZINC000734847311 577329797 /nfs/dbraw/zinc/32/97/97/577329797.db2.gz IGHARZZAHQKJCN-IBGZPJMESA-N 1 0 330.403 2.486 10 10 EECERO COc1cc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(O)cc1C ZINC000768448686 577555874 /nfs/dbraw/zinc/55/58/74/577555874.db2.gz WGQKKQZSXSRVSA-SFHVURJKSA-N 1 0 347.503 2.311 10 10 EECERO COC(=O)/C=C/c1ccc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000768525687 577557694 /nfs/dbraw/zinc/55/76/94/577557694.db2.gz JPKKRICCMXZDHZ-FRNKVXGRSA-N 1 0 333.388 2.310 10 10 EECERO Cn1ccnc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000741263555 578115878 /nfs/dbraw/zinc/11/58/78/578115878.db2.gz KUZFCKYRHRNRHM-CQSZACIVSA-N 1 0 348.834 2.174 10 10 EECERO O=C(NCCCSc1nccs1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841856794 682617265 /nfs/dbraw/zinc/61/72/65/682617265.db2.gz KSXQFXNYBFROPL-LBPRGKRZSA-N 1 0 326.491 2.161 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1C ZINC001266948653 1177874715 /nfs/dbraw/zinc/87/47/15/1177874715.db2.gz FOZVXZIEPZVCMU-NUEKZKHPSA-N 1 0 342.443 2.125 10 10 EECERO CCOCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001481072257 1179675378 /nfs/dbraw/zinc/67/53/78/1179675378.db2.gz WNATWSWJWJDBBJ-HNNXBMFYSA-N 1 0 347.419 2.080 10 10 EECERO C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268430766 1182602585 /nfs/dbraw/zinc/60/25/85/1182602585.db2.gz XPZGXYGZNTXFAL-NSHDSACASA-N 1 0 344.375 2.135 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]2(C)CC=CCC2)cc1C ZINC001272425271 1190813508 /nfs/dbraw/zinc/81/35/08/1190813508.db2.gz KMHRUCISMZIMCR-XLIONFOSSA-N 1 0 346.471 2.317 10 10 EECERO C[N@@H+]1CCn2nc(NCc3c(O)cccc3Br)cc2C1 ZINC000865845655 1198401010 /nfs/dbraw/zinc/40/10/10/1198401010.db2.gz GWAMSTRSMWDALR-UHFFFAOYSA-N 1 0 337.221 2.409 10 10 EECERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000826096995 1200883023 /nfs/dbraw/zinc/88/30/23/1200883023.db2.gz LCQDOYNXNRBRMV-ZWNOBZJWSA-N 1 0 330.222 2.126 10 10 EECERO C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000868750883 1201871597 /nfs/dbraw/zinc/87/15/97/1201871597.db2.gz XSZAFILWBBFTAN-XQLPTFJDSA-N 1 0 335.448 2.250 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001275396363 1205337312 /nfs/dbraw/zinc/33/73/12/1205337312.db2.gz YAPKZNCQGGOBKI-KBPBESRZSA-N 1 0 330.432 2.332 10 10 EECERO C/C=C\[C@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127973 1235257440 /nfs/dbraw/zinc/25/74/40/1235257440.db2.gz RENCQRQQXJSRQQ-SSMWTBERSA-N 1 0 338.835 2.063 10 10 EECERO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903217894 1240032466 /nfs/dbraw/zinc/03/24/66/1240032466.db2.gz FOKPHKHLMRWYMV-GJZGRUSLSA-N 1 0 349.450 2.181 10 10 EECERO O[C@@]1(C2CC2)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000827151790 1250271840 /nfs/dbraw/zinc/27/18/40/1250271840.db2.gz JSJIKNVKEWWFPM-IBGZPJMESA-N 1 0 334.435 2.399 10 10 EECERO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000827947802 1252547218 /nfs/dbraw/zinc/54/72/18/1252547218.db2.gz CRDBXZGIVZYWEX-OAHLLOKOSA-N 1 0 333.384 2.241 10 10 EECERO CCc1nnsc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491516603 1259169820 /nfs/dbraw/zinc/16/98/20/1259169820.db2.gz XEAVYSDSBLQSOZ-GFCCVEGCSA-N 1 0 348.472 2.326 10 10 EECERO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000850510433 1277255006 /nfs/dbraw/zinc/25/50/06/1277255006.db2.gz WGKQXSVIPNWCMS-YLJYHZDGSA-N 1 0 348.487 2.496 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1 ZINC000850563059 1277266127 /nfs/dbraw/zinc/26/61/27/1277266127.db2.gz RAUAGTWZKNMCFQ-ZIAGYGMSSA-N 1 0 333.432 2.342 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)NCC3([NH3+])CCCCC3)C2)cc1 ZINC000851661293 1277706334 /nfs/dbraw/zinc/70/63/34/1277706334.db2.gz IEGZYWJKGMKNFV-HNNXBMFYSA-N 1 0 346.475 2.235 10 10 EECERO COC(=O)N(C)CC[N@H+](C)Cc1ccc(Br)cc1O ZINC000691680481 1280262951 /nfs/dbraw/zinc/26/29/51/1280262951.db2.gz LZHPHDYNGNRTAW-UHFFFAOYSA-N 1 0 331.210 2.285 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000861572513 1295460797 /nfs/dbraw/zinc/46/07/97/1295460797.db2.gz ROBJPISSMNQTMN-ZBFHGGJFSA-N 1 0 346.475 2.104 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CCOC2)cc1C ZINC001277622718 1304023503 /nfs/dbraw/zinc/02/35/03/1304023503.db2.gz QZBBOAYXSVPBOH-QZTJIDSGSA-N 1 0 346.471 2.367 10 10 EECERO Cc1cc(O)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(Cl)c1 ZINC000840911912 1315434463 /nfs/dbraw/zinc/43/44/63/1315434463.db2.gz CWQNQLRJQYSLTG-UHFFFAOYSA-N 1 0 346.880 2.210 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c(Cl)c1 ZINC000840947443 1315442952 /nfs/dbraw/zinc/44/29/52/1315442952.db2.gz TWCPECWAEKBAKF-GFCCVEGCSA-N 1 0 346.880 2.258 10 10 EECERO COCCOc1cc2c(cc1C[NH2+]CCc1ccc(N)cc1)OCO2 ZINC000841036489 1315460065 /nfs/dbraw/zinc/46/00/65/1315460065.db2.gz SQJRMNBCEWLXGT-UHFFFAOYSA-N 1 0 344.411 2.355 10 10 EECERO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCC[NH3+])cc1 ZINC000841931467 1315640232 /nfs/dbraw/zinc/64/02/32/1315640232.db2.gz CJCMBNKLPXEUOE-UHFFFAOYSA-N 1 0 330.432 2.406 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1C ZINC000842722983 1315762090 /nfs/dbraw/zinc/76/20/90/1315762090.db2.gz WGILTPWZISYWNL-OAHLLOKOSA-N 1 0 347.436 2.334 10 10 EECERO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001158716917 1319396926 /nfs/dbraw/zinc/39/69/26/1319396926.db2.gz IPVFHWVAPABUMS-BNEJOLLZSA-N 1 0 333.476 2.143 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)COC(C)C)C2)cc1C ZINC001263855253 1322538585 /nfs/dbraw/zinc/53/85/85/1322538585.db2.gz DPOYYKSNJJTTQZ-QAQDUYKDSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccnn2C)cc1C ZINC001281697133 1325404603 /nfs/dbraw/zinc/40/46/03/1325404603.db2.gz VENBQPATPAVZGL-AWEZNQCLSA-N 1 0 330.432 2.035 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cn(C)nc2C)cc1C ZINC001282115133 1325626155 /nfs/dbraw/zinc/62/61/55/1325626155.db2.gz WCGDHDLVURTMPI-KBPBESRZSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)c2cnon2)cc1C ZINC001283543213 1326122901 /nfs/dbraw/zinc/12/29/01/1326122901.db2.gz HTKYIAYKYIMSAW-MRXNPFEDSA-N 1 0 344.415 2.027 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@]23C[C@H]2COC3)cc1C ZINC001492027603 1330452719 /nfs/dbraw/zinc/45/27/19/1330452719.db2.gz YRHOWMWWMHSQKH-ALKREAHSSA-N 1 0 332.444 2.025 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC=CCC2)cc1C ZINC001320261400 1332853650 /nfs/dbraw/zinc/85/36/50/1332853650.db2.gz XGHSSLDRWWODLK-SJLPKXTDSA-N 1 0 346.471 2.317 10 10 EECERO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC001325318642 1333862883 /nfs/dbraw/zinc/86/28/83/1333862883.db2.gz IXJMQHAVPIEKNS-BDUNBXCCSA-N 1 0 325.460 2.368 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ncccn3)CCC2)cc1C ZINC001326902182 1334180059 /nfs/dbraw/zinc/18/00/59/1334180059.db2.gz DLBKSIXMYDDEEK-UHFFFAOYSA-N 1 0 340.427 2.236 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(CO)OC)c1O ZINC000848556201 1338720873 /nfs/dbraw/zinc/72/08/73/1338720873.db2.gz PVASXIYNYQFYDU-OTYXRUKQSA-N 1 0 348.237 2.211 10 10 EECERO [NH2+]=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCO1 ZINC000849008486 1338822548 /nfs/dbraw/zinc/82/25/48/1338822548.db2.gz JITFQEMPZQVLGS-INIZCTEOSA-N 1 0 334.489 2.033 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC2CCOCC2)cc1C ZINC001662184853 1354759664 /nfs/dbraw/zinc/75/96/64/1354759664.db2.gz QRFJZAYFGARUPK-HNNXBMFYSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)n2cccn2)cc1C ZINC001668721103 1355992618 /nfs/dbraw/zinc/99/26/18/1355992618.db2.gz UJQWKKWUXKQHGK-DWTRPJMMSA-N 1 0 342.443 2.223 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3cc[nH]n3)CCC2)cc1C ZINC001673156183 1356650153 /nfs/dbraw/zinc/65/01/53/1356650153.db2.gz PRRBLTGEHMHAPD-UHFFFAOYSA-N 1 0 342.443 2.098 10 10 EECERO CC1([NH2+]CCF)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001674001763 1356769149 /nfs/dbraw/zinc/76/91/49/1356769149.db2.gz KLQIFWCNGQPGDC-UHFFFAOYSA-N 1 0 335.383 2.403 10 10 EECERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)c2cnon2)cc1C ZINC001674865698 1356904674 /nfs/dbraw/zinc/90/46/74/1356904674.db2.gz YKTIZDOKCMZDAS-UHFFFAOYSA-N 1 0 346.431 2.275 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]Cc3nccnc3OC)C2)cc1 ZINC000818222811 785224415 /nfs/dbraw/zinc/22/44/15/785224415.db2.gz WDXBDRBQCUFBAD-CQSZACIVSA-N 1 0 328.416 2.110 10 10 EECERO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000822470246 787222800 /nfs/dbraw/zinc/22/28/00/787222800.db2.gz KPNIBLXTAVXJMX-BHYGNILZSA-N 1 0 333.501 2.372 10 10 EECERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000846192356 790085740 /nfs/dbraw/zinc/08/57/40/790085740.db2.gz HWLUZCUNNBIKOS-HZMBPMFUSA-N 1 0 330.222 2.347 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000922850907 802076677 /nfs/dbraw/zinc/07/66/77/802076677.db2.gz YPIGFYBHAVODIY-YHWZYXNKSA-N 1 0 344.427 2.229 10 10 EECERO Cc1cc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)ccc1N(C)C ZINC001459740923 1110247013 /nfs/dbraw/zinc/24/70/13/1110247013.db2.gz LEKGUOIMLUCOJP-AWEZNQCLSA-N 1 0 334.382 2.169 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2c[nH]c(C)n2)cc1C ZINC001507060126 1115087199 /nfs/dbraw/zinc/08/71/99/1115087199.db2.gz GUNSHWDTNKHDIY-CYBMUJFWSA-N 1 0 330.432 2.285 10 10 EECERO COc1ccc(N2CCN(C(=O)C3([NH+](C)C)CCCC3)CC2)cc1 ZINC001545556681 1124195344 /nfs/dbraw/zinc/19/53/44/1124195344.db2.gz UVIFFUNOLJAOBL-UHFFFAOYSA-N 1 0 331.460 2.218 10 10 EECERO C[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@@H]1C[NH3+] ZINC000156917284 279659330 /nfs/dbraw/zinc/65/93/30/279659330.db2.gz NDSZLLJDJKBHTB-MKTWQISGSA-N 1 0 343.471 2.122 10 10 EECERO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc3c(c1)CCCN3C)CN2 ZINC000058294393 463571748 /nfs/dbraw/zinc/57/17/48/463571748.db2.gz AHIBNEHBXNMJGP-MRXNPFEDSA-N 1 0 325.460 2.405 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)cc1O ZINC000185974238 463915789 /nfs/dbraw/zinc/91/57/89/463915789.db2.gz QCGGQCIKQBVIJG-ZYHUDNBSSA-N 1 0 329.238 2.136 10 10 EECERO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C(=O)OC(C)(C)C ZINC000282679268 464908942 /nfs/dbraw/zinc/90/89/42/464908942.db2.gz KCZRQJXBUMXOCX-NSHDSACASA-N 1 0 338.404 2.466 10 10 EECERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160097536 527945454 /nfs/dbraw/zinc/94/54/54/527945454.db2.gz RKHNHVDTDAMODD-CQSZACIVSA-N 1 0 336.432 2.290 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000775374842 577436173 /nfs/dbraw/zinc/43/61/73/577436173.db2.gz GMHXTBCDAPIBGX-CYBMUJFWSA-N 1 0 339.399 2.270 10 10 EECERO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000775648117 577441836 /nfs/dbraw/zinc/44/18/36/577441836.db2.gz AUSYVHXPOKCNRA-CQSZACIVSA-N 1 0 344.463 2.393 10 10 EECERO COc1ccc(O)c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000184950406 1192479067 /nfs/dbraw/zinc/47/90/67/1192479067.db2.gz POLMAPSWPGWYRY-UHFFFAOYSA-N 1 0 347.390 2.061 10 10 EECERO COC[C@H](C)[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001691238852 1177754293 /nfs/dbraw/zinc/75/42/93/1177754293.db2.gz FLVJJNOMUOKRPP-LBPRGKRZSA-N 1 0 347.419 2.078 10 10 EECERO COc1cccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001266983238 1178037597 /nfs/dbraw/zinc/03/75/97/1178037597.db2.gz ILIOVEDXSBNGSW-CQSZACIVSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)COCC3CC3)C2)cc1C ZINC001267029445 1178117834 /nfs/dbraw/zinc/11/78/34/1178117834.db2.gz DPWYVJCGEXWUHE-SFHVURJKSA-N 1 0 346.471 2.368 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c(C)nn(C)c2C)cc1C ZINC001267409183 1178982252 /nfs/dbraw/zinc/98/22/52/1178982252.db2.gz DJNIDIOGOOWAIA-UHFFFAOYSA-N 1 0 344.459 2.216 10 10 EECERO CC[C@H](CNC(=O)c1cc(OC)no1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267799546 1180547795 /nfs/dbraw/zinc/54/77/95/1180547795.db2.gz MFRFIUKVGJVCBG-CQSZACIVSA-N 1 0 347.415 2.298 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2n[nH]cc2F)cc1C ZINC001268082809 1181697479 /nfs/dbraw/zinc/69/74/79/1181697479.db2.gz FWIIVGXRFZJBLC-LBPRGKRZSA-N 1 0 334.395 2.116 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cncs2)cc1C ZINC001268649902 1183577836 /nfs/dbraw/zinc/57/78/36/1183577836.db2.gz TUAGNIKWOBRSMW-CYBMUJFWSA-N 1 0 333.457 2.297 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CCOC2)C(C)C)cc1C ZINC001271816395 1186516192 /nfs/dbraw/zinc/51/61/92/1186516192.db2.gz YJXXBBRDQRZCPS-DLBZAZTESA-N 1 0 334.460 2.271 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCO[C@H]2C)cc1C ZINC001483076657 1188436447 /nfs/dbraw/zinc/43/64/47/1188436447.db2.gz FPSIAJZMZLJYRF-XHRFTGCISA-N 1 0 332.444 2.191 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H](C)OC)C2)cc1C ZINC001484510766 1191389154 /nfs/dbraw/zinc/38/91/54/1191389154.db2.gz SYDINDLCMAMLTR-JKSUJKDBSA-N 1 0 334.460 2.367 10 10 EECERO CCN(CC)c1ccc(C[NH2+]C2CN(c3ccncn3)C2)cc1F ZINC000865748756 1198359446 /nfs/dbraw/zinc/35/94/46/1198359446.db2.gz BMFJDOYRYBSRIM-UHFFFAOYSA-N 1 0 329.423 2.440 10 10 EECERO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000810065559 1199254534 /nfs/dbraw/zinc/25/45/34/1199254534.db2.gz WXAFFFCACOYTSD-CQSZACIVSA-N 1 0 327.494 2.075 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)CCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000870913791 1200949885 /nfs/dbraw/zinc/94/98/85/1200949885.db2.gz BGYBKTRSMYDLSC-SHPPYHEDSA-N 1 0 343.471 2.170 10 10 EECERO CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1O ZINC000866521860 1201539686 /nfs/dbraw/zinc/53/96/86/1201539686.db2.gz QMQYIOCFDKJHDI-CJNGLKHVSA-N 1 0 340.807 2.308 10 10 EECERO CC(=O)c1cc(Cl)cc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c1O ZINC000880999679 1201619606 /nfs/dbraw/zinc/61/96/06/1201619606.db2.gz QEQOFFOZUJOFOB-NSHDSACASA-N 1 0 334.807 2.355 10 10 EECERO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924762213 1206028524 /nfs/dbraw/zinc/02/85/24/1206028524.db2.gz YNAGVIYAFPCRDT-GOSISDBHSA-N 1 0 334.460 2.136 10 10 EECERO CN(C)c1ccc(CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C2CC2)cc1 ZINC000900125786 1234032514 /nfs/dbraw/zinc/03/25/14/1234032514.db2.gz YLSPIOOLOAZCDG-HXUWFJFHSA-N 1 0 345.487 2.090 10 10 EECERO COc1ccc(N2CCC([NH2+]CC[C@@H]3CC(=O)N(C)C3)CC2)cc1 ZINC000903217980 1240032565 /nfs/dbraw/zinc/03/25/65/1240032565.db2.gz HGJFSILQCWKZNY-OAHLLOKOSA-N 1 0 331.460 2.122 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C(=O)N(C)C)[nH]3)C2)cc1 ZINC000850347854 1277191477 /nfs/dbraw/zinc/19/14/77/1277191477.db2.gz ZDJKHUCDRXWFIN-HNNXBMFYSA-N 1 0 342.443 2.094 10 10 EECERO Fc1cc(C[NH2+]CCO[C@@H]2CC2(F)F)ccc1N1CCOCC1 ZINC000850365713 1277200954 /nfs/dbraw/zinc/20/09/54/1277200954.db2.gz LXWGSVFQOJQHFU-OAHLLOKOSA-N 1 0 330.350 2.176 10 10 EECERO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3cn(C)nn3)C2)c1O ZINC001198612220 1285250978 /nfs/dbraw/zinc/25/09/78/1285250978.db2.gz LODPXWKXZKMTFO-LBPRGKRZSA-N 1 0 332.379 2.242 10 10 EECERO COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000852802587 1292203476 /nfs/dbraw/zinc/20/34/76/1292203476.db2.gz QUBZDMQTVVFNQK-LLVKDONJSA-N 1 0 345.399 2.347 10 10 EECERO Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c(C)n1-c1cccc(C)c1 ZINC000853245827 1292339566 /nfs/dbraw/zinc/33/95/66/1292339566.db2.gz NHWAWKJZIJDFDM-UHFFFAOYSA-N 1 0 339.439 2.217 10 10 EECERO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1(S(C)(=O)=O)CC1 ZINC000858163244 1294029371 /nfs/dbraw/zinc/02/93/71/1294029371.db2.gz BXXBKBVJFCWSLI-JTQLQIEISA-N 1 0 332.416 2.086 10 10 EECERO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000694754330 1304134723 /nfs/dbraw/zinc/13/47/23/1304134723.db2.gz RZYUISJPBWYXRU-LJQANCHMSA-N 1 0 325.456 2.298 10 10 EECERO COc1c([O-])c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088477 1315472284 /nfs/dbraw/zinc/47/22/84/1315472284.db2.gz XIEPPSKARHPCOC-JSGCOSHPSA-N 1 0 335.404 2.273 10 10 EECERO Nc1ccc(Cc2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000841851030 1315623282 /nfs/dbraw/zinc/62/32/82/1315623282.db2.gz FKTPNNVMQZCNNO-GASCZTMLSA-N 1 0 342.468 2.283 10 10 EECERO CC(C)=CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001261846615 1322185091 /nfs/dbraw/zinc/18/50/91/1322185091.db2.gz QYIMSPPPIJISFP-SFHVURJKSA-N 1 0 331.460 2.338 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2nc(C)c[nH]2)C2CC2)cc1C ZINC001317024379 1332048285 /nfs/dbraw/zinc/04/82/85/1332048285.db2.gz KHRGTYQNGKRDJB-INIZCTEOSA-N 1 0 342.443 2.333 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cnn(C)c2C)cc1C ZINC001317385276 1332210070 /nfs/dbraw/zinc/21/00/70/1332210070.db2.gz FFDFEBYWPMUXNC-AWEZNQCLSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@@]23CCOC3)cc1C ZINC001322780249 1333324862 /nfs/dbraw/zinc/32/48/62/1333324862.db2.gz OOHSLWNJCWDCEO-YLJYHZDGSA-N 1 0 346.471 2.368 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001540486962 1342326654 /nfs/dbraw/zinc/32/66/54/1342326654.db2.gz HSFZMRBKJAKWDV-INIZCTEOSA-N 1 0 326.396 2.031 10 10 EECERO CCOc1ccc(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC001632158040 1352594079 /nfs/dbraw/zinc/59/40/79/1352594079.db2.gz NTOWGRRQWVKLJC-IRXDYDNUSA-N 1 0 345.487 2.464 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)n2cccn2)cc1C ZINC001667983148 1355840865 /nfs/dbraw/zinc/84/08/65/1355840865.db2.gz NWUPWJVJQHBICY-JKSUJKDBSA-N 1 0 344.459 2.446 10 10 EECERO CC[C@H](C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001669935989 1356243219 /nfs/dbraw/zinc/24/32/19/1356243219.db2.gz KHDAWUPHQXWGST-IUODEOHRSA-N 1 0 349.435 2.324 10 10 EECERO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921055786 770952185 /nfs/dbraw/zinc/95/21/85/770952185.db2.gz QRCTXPMABWOXGO-WMLDXEAASA-N 1 0 346.471 2.244 10 10 EECERO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921055789 770952258 /nfs/dbraw/zinc/95/22/58/770952258.db2.gz QRCTXPMABWOXGO-YOEHRIQHSA-N 1 0 346.471 2.244 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)C2)cc1 ZINC000846681647 790392594 /nfs/dbraw/zinc/39/25/94/790392594.db2.gz ASCFTDXSMVCFFU-CCKFTAQKSA-N 1 0 343.471 2.168 10 10 EECERO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809713408 783329429 /nfs/dbraw/zinc/32/94/29/783329429.db2.gz HGEWVNIOELBWRA-SFHVURJKSA-N 1 0 345.487 2.404 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000922912718 788317212 /nfs/dbraw/zinc/31/72/12/788317212.db2.gz LFTBFUDARSUNON-MPGHIAIKSA-N 1 0 332.492 2.384 10 10 EECERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000844175377 788886994 /nfs/dbraw/zinc/88/69/94/788886994.db2.gz GAIOKFMTTVYDLN-QAPCUYQASA-N 1 0 345.487 2.479 10 10 EECERO C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000846140516 790072557 /nfs/dbraw/zinc/07/25/57/790072557.db2.gz VXVOUKHKQPJJKE-OAHLLOKOSA-N 1 0 346.475 2.012 10 10 EECERO COc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c(O)c1 ZINC000793007549 810103579 /nfs/dbraw/zinc/10/35/79/810103579.db2.gz HUVUQYMIUJBKHC-UHFFFAOYSA-N 1 0 335.448 2.320 10 10 EECERO O=C(CC[N@@H+]1CC[C@@H](F)C1)NCc1cccc(Br)c1O ZINC001448955951 1093966590 /nfs/dbraw/zinc/96/65/90/1093966590.db2.gz CPKOHURTCVPWBY-LLVKDONJSA-N 1 0 345.212 2.205 10 10 EECERO CCn1ccc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001495753569 1101534625 /nfs/dbraw/zinc/53/46/25/1101534625.db2.gz PLTASUUZBDAEAM-AWEZNQCLSA-N 1 0 344.459 2.376 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)CC[S@@](=O)C(F)(F)F)cc1 ZINC001473609436 1110577424 /nfs/dbraw/zinc/57/74/24/1110577424.db2.gz BGYDYPFTNPPWQV-JOCHJYFZSA-N 1 0 338.395 2.332 10 10 EECERO CC[C@H](CNC(=O)c1ccnn1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567952706 1124201842 /nfs/dbraw/zinc/20/18/42/1124201842.db2.gz ITQMFGFLEISYAX-OAHLLOKOSA-N 1 0 330.432 2.035 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Br)cc1O ZINC000527953606 317292606 /nfs/dbraw/zinc/29/26/06/317292606.db2.gz IRCLYORAFNWIDM-FZZIBODNSA-N 1 0 330.222 2.345 10 10 EECERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000089937476 462747798 /nfs/dbraw/zinc/74/77/98/462747798.db2.gz WMOYPTKLKMYPHX-KBXCAEBGSA-N 1 0 349.450 2.009 10 10 EECERO O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnnc1 ZINC000133826165 462974348 /nfs/dbraw/zinc/97/43/48/462974348.db2.gz SSTPFBDZJGTFLV-HNNXBMFYSA-N 1 0 346.818 2.230 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000172125243 463994523 /nfs/dbraw/zinc/99/45/23/463994523.db2.gz NHRVGXIAZYBBPG-SFHVURJKSA-N 1 0 348.491 2.005 10 10 EECERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000283919244 464042158 /nfs/dbraw/zinc/04/21/58/464042158.db2.gz IRNWZSGVBVVOAS-JSGCOSHPSA-N 1 0 346.265 2.402 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172631624 464121140 /nfs/dbraw/zinc/12/11/40/464121140.db2.gz JEPZCVYBLMFNPP-UHFFFAOYSA-N 1 0 340.471 2.443 10 10 EECERO CCCOc1ccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c(O)c1 ZINC000245753555 464512316 /nfs/dbraw/zinc/51/23/16/464512316.db2.gz OFYGNCMOUBROCJ-YJBOKZPZSA-N 1 0 334.460 2.334 10 10 EECERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000246446901 464585302 /nfs/dbraw/zinc/58/53/02/464585302.db2.gz OXTDLKOAAOGJRC-KDOFPFPSSA-N 1 0 341.459 2.332 10 10 EECERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2=O)n(C)n1 ZINC000183662260 464893918 /nfs/dbraw/zinc/89/39/18/464893918.db2.gz PPBCLOOZXVTMNG-UKRRQHHQSA-N 1 0 328.416 2.280 10 10 EECERO CC(=O)c1cc(F)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1O ZINC000364188768 466688039 /nfs/dbraw/zinc/68/80/39/466688039.db2.gz GPJAAYWCPWOXET-UHFFFAOYSA-N 1 0 329.371 2.353 10 10 EECERO CNC(=O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000771985671 577243431 /nfs/dbraw/zinc/24/34/31/577243431.db2.gz CCUUSPZCJXNREX-KRWDZBQOSA-N 1 0 348.447 2.445 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnco1 ZINC000768914502 577565608 /nfs/dbraw/zinc/56/56/08/577565608.db2.gz XRZUFFYZJMULNR-UHFFFAOYSA-N 1 0 340.427 2.137 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000771288901 577613103 /nfs/dbraw/zinc/61/31/03/577613103.db2.gz PIRRGDUMITXMMG-DZTBXEGKSA-N 1 0 333.388 2.310 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC(F)C1 ZINC000753255253 577783929 /nfs/dbraw/zinc/78/39/29/577783929.db2.gz UIGNATPINBFEEJ-UHFFFAOYSA-N 1 0 346.450 2.082 10 10 EECERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1 ZINC000757657806 577862039 /nfs/dbraw/zinc/86/20/39/577862039.db2.gz QZIGTHWNGOGTNR-GDBMZVCRSA-N 1 0 342.443 2.276 10 10 EECERO CN1CCC(CNC(=O)C2=CC(=O)CS2)([NH+]2CCCCC2)CC1 ZINC000743717942 577889274 /nfs/dbraw/zinc/88/92/74/577889274.db2.gz YTYPZGWSGMTKCC-UHFFFAOYSA-N 1 0 337.489 2.134 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC000326996582 678618516 /nfs/dbraw/zinc/61/85/16/678618516.db2.gz JDXBAZOTEYTIKM-IPELMVKDSA-N 1 0 343.471 2.265 10 10 EECERO COc1cc(C)cc(C[N@H+](C)CCN2CC3(C2)CCOCC3)c1O ZINC000895462613 684609651 /nfs/dbraw/zinc/60/96/51/684609651.db2.gz SSHMTQPRFFSVOW-UHFFFAOYSA-N 1 0 334.460 2.253 10 10 EECERO Cc1cc(CN2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)on1 ZINC000190905430 688878222 /nfs/dbraw/zinc/87/82/22/688878222.db2.gz NSVYNGHSOSRPDZ-UHFFFAOYSA-N 1 0 327.428 2.495 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)ncn2)cc1C ZINC001266931647 1177832847 /nfs/dbraw/zinc/83/28/47/1177832847.db2.gz AWSWAVGWDNXXRT-CQSZACIVSA-N 1 0 328.416 2.010 10 10 EECERO COc1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)ccn1 ZINC001266948231 1177872550 /nfs/dbraw/zinc/87/25/50/1177872550.db2.gz HOYMHNUXXHFQNR-CQSZACIVSA-N 1 0 343.427 2.315 10 10 EECERO CC[C@@H](CNC(=O)[C@H]1CCCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267798495 1180545936 /nfs/dbraw/zinc/54/59/36/1180545936.db2.gz RIGKQIAOLHDRBO-IRXDYDNUSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ocnc2C)cc1C ZINC001270379985 1185060494 /nfs/dbraw/zinc/06/04/94/1185060494.db2.gz VHNFWOGIOJIXQP-GFCCVEGCSA-N 1 0 331.416 2.456 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cnn(CCF)c2)cc1C ZINC001483144755 1188763820 /nfs/dbraw/zinc/76/38/20/1188763820.db2.gz XULJLJHJBPBCMJ-CQSZACIVSA-N 1 0 348.422 2.078 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CO[C@H](C)C2)cc1C ZINC001483476886 1190498583 /nfs/dbraw/zinc/49/85/83/1190498583.db2.gz KVXRCQBTNJSGFF-NVXWUHKLSA-N 1 0 334.460 2.367 10 10 EECERO COCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485041925 1191623013 /nfs/dbraw/zinc/62/30/13/1191623013.db2.gz VFSMMXHIHOROMV-HNNXBMFYSA-N 1 0 347.419 2.080 10 10 EECERO CC(=O)NCC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000865428073 1198212403 /nfs/dbraw/zinc/21/24/03/1198212403.db2.gz PCBYJQLWXRDKBX-UHFFFAOYSA-N 1 0 345.487 2.308 10 10 EECERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](O)C1 ZINC000865746897 1198357362 /nfs/dbraw/zinc/35/73/62/1198357362.db2.gz MBBSATIMQHTEQE-JKSUJKDBSA-N 1 0 348.443 2.081 10 10 EECERO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c1O ZINC000866520236 1201539388 /nfs/dbraw/zinc/53/93/88/1201539388.db2.gz DUDGULUSABZPJQ-ZBEGNZNMSA-N 1 0 340.807 2.226 10 10 EECERO CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(N(C)C)cc1 ZINC000866570724 1201549860 /nfs/dbraw/zinc/54/98/60/1201549860.db2.gz OZUVDMJMCJOCEN-OAHLLOKOSA-N 1 0 327.494 2.108 10 10 EECERO CC(=O)c1cc(Cl)cc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c1O ZINC000880999677 1201619550 /nfs/dbraw/zinc/61/95/50/1201619550.db2.gz QEQOFFOZUJOFOB-LLVKDONJSA-N 1 0 334.807 2.355 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@]23C[C@H]2COC3)cc1C ZINC001274720542 1205141492 /nfs/dbraw/zinc/14/14/92/1205141492.db2.gz YRHOWMWWMHSQKH-QOKNQOGYSA-N 1 0 332.444 2.025 10 10 EECERO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759623 1206028154 /nfs/dbraw/zinc/02/81/54/1206028154.db2.gz LGEUCICVRNJBHC-KRWDZBQOSA-N 1 0 338.423 2.028 10 10 EECERO OC1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCC4)cc2F)CC1 ZINC000925500390 1206120030 /nfs/dbraw/zinc/12/00/30/1206120030.db2.gz FACBJFYKYSELMM-SFHVURJKSA-N 1 0 333.451 2.161 10 10 EECERO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C1(O)CCC1 ZINC000929755364 1206498438 /nfs/dbraw/zinc/49/84/38/1206498438.db2.gz MMQHLJAEMHQDCS-AWEZNQCLSA-N 1 0 344.249 2.253 10 10 EECERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852182195 1292029728 /nfs/dbraw/zinc/02/97/28/1292029728.db2.gz TUTXJGLKIXSFJW-HZPDHXFCSA-N 1 0 348.491 2.303 10 10 EECERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)C1 ZINC000858104721 1294007504 /nfs/dbraw/zinc/00/75/04/1294007504.db2.gz UVEHDXKKAXNWIA-INIZCTEOSA-N 1 0 342.418 2.212 10 10 EECERO COCCN1CCC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000858122435 1294013011 /nfs/dbraw/zinc/01/30/11/1294013011.db2.gz NCMRQWOMMJGOMI-GFCCVEGCSA-N 1 0 343.265 2.355 10 10 EECERO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858305725 1294077044 /nfs/dbraw/zinc/07/70/44/1294077044.db2.gz CELZKWTVVCBDQR-OAHLLOKOSA-N 1 0 347.846 2.431 10 10 EECERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000858489136 1294131557 /nfs/dbraw/zinc/13/15/57/1294131557.db2.gz UOEVZXFSTHFUKI-KBPBESRZSA-N 1 0 338.415 2.068 10 10 EECERO CC[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1O ZINC000858488735 1294131765 /nfs/dbraw/zinc/13/17/65/1294131765.db2.gz KLJQEUTVQJWQIQ-DZGCQCFKSA-N 1 0 338.415 2.150 10 10 EECERO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1O ZINC000862547123 1295875890 /nfs/dbraw/zinc/87/58/90/1295875890.db2.gz ZHHBFSYSZOQYRY-ZYHUDNBSSA-N 1 0 326.190 2.068 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799297270 1305217349 /nfs/dbraw/zinc/21/73/49/1305217349.db2.gz MBDHXXNCHBOEJP-LJQANCHMSA-N 1 0 345.418 2.475 10 10 EECERO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(Cl)c1 ZINC000840942761 1315441638 /nfs/dbraw/zinc/44/16/38/1315441638.db2.gz CNPPKZMJUINHDP-SMDDNHRTSA-N 1 0 346.880 2.162 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1O ZINC000842884876 1315792130 /nfs/dbraw/zinc/79/21/30/1315792130.db2.gz UVTUOKSKVASNLT-QWHCGFSZSA-N 1 0 333.409 2.278 10 10 EECERO CC1(C(N)=O)C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843416418 1315911485 /nfs/dbraw/zinc/91/14/85/1315911485.db2.gz RMEGQZXLHDSGCV-UHFFFAOYSA-N 1 0 326.396 2.278 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCCOC2)C2CC2)cc1C ZINC001276554169 1324311902 /nfs/dbraw/zinc/31/19/02/1324311902.db2.gz XKRLZFNFESHCMB-QZTJIDSGSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ccncn2)cc1C ZINC001283260676 1325976631 /nfs/dbraw/zinc/97/66/31/1325976631.db2.gz PMWJXLVKKPJZNZ-HNNXBMFYSA-N 1 0 342.443 2.482 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)Cn2ccnc2)C(C)C)cc1C ZINC001319967251 1332802811 /nfs/dbraw/zinc/80/28/11/1332802811.db2.gz CHCQKKQSSJZOQX-QGZVFWFLSA-N 1 0 344.459 2.131 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2nn(C)cc2C)cc1C ZINC001328343259 1334447458 /nfs/dbraw/zinc/44/74/58/1334447458.db2.gz XWFOUQXMZZREIN-HNNXBMFYSA-N 1 0 344.459 2.344 10 10 EECERO CC(=O)N1CCN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2)CC1 ZINC001335346365 1336365670 /nfs/dbraw/zinc/36/56/70/1336365670.db2.gz WJRJCCLTANSCRZ-UHFFFAOYSA-N 1 0 345.487 2.140 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1O ZINC000848534327 1338716367 /nfs/dbraw/zinc/71/63/67/1338716367.db2.gz ZFFRLKSJSUXWFN-JGVFFNPUSA-N 1 0 331.210 2.078 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2COC[C@H]2OC)c1O ZINC000848552832 1338720535 /nfs/dbraw/zinc/72/05/35/1338720535.db2.gz OJQPWLUEKPIJLX-YDEJPDAXSA-N 1 0 346.221 2.228 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CC(OC)C2)C2CC2)cc1C ZINC001566711265 1342610334 /nfs/dbraw/zinc/61/03/34/1342610334.db2.gz LAJDQAHFZRRDJK-DAWZGUTISA-N 1 0 346.471 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001676543647 1357162586 /nfs/dbraw/zinc/16/25/86/1357162586.db2.gz FMJXHNQELGSGFW-GDBMZVCRSA-N 1 0 336.476 2.253 10 10 EECERO CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001622704090 1352387942 /nfs/dbraw/zinc/38/79/42/1352387942.db2.gz WVMMWASHMQKZEJ-QGZVFWFLSA-N 1 0 340.423 2.373 10 10 EECERO CN(C)c1ccc(CNC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)cc1F ZINC001650743742 1354028920 /nfs/dbraw/zinc/02/89/20/1354028920.db2.gz AVABBSRAHKXGKI-HNNXBMFYSA-N 1 0 342.418 2.429 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](O)C(C)C)C2)cc1C ZINC001656194411 1354213263 /nfs/dbraw/zinc/21/32/63/1354213263.db2.gz HKQYHJICIBEECI-JFIYKMOQSA-N 1 0 334.460 2.005 10 10 EECERO CC[C@H](C[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001669935992 1356243973 /nfs/dbraw/zinc/24/39/73/1356243973.db2.gz KHDAWUPHQXWGST-SWLSCSKDSA-N 1 0 349.435 2.324 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2csnn2)cc1C ZINC001674711007 1356881829 /nfs/dbraw/zinc/88/18/29/1356881829.db2.gz VJYAJAWJDUKHIQ-NWDGAFQWSA-N 1 0 334.445 2.152 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2c(C)cnn2C)cc1C ZINC001698852181 1405110182 /nfs/dbraw/zinc/11/01/82/1405110182.db2.gz NVBLRLYUEYZHID-OAHLLOKOSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccnnc2)C(C)C)cc1C ZINC001698970854 1405193640 /nfs/dbraw/zinc/19/36/40/1405193640.db2.gz KSGYQCAWULKWLD-KRWDZBQOSA-N 1 0 342.443 2.338 10 10 EECERO CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1O ZINC000809569951 783191986 /nfs/dbraw/zinc/19/19/86/783191986.db2.gz MNJCUBBHIRHJDM-SFHVURJKSA-N 1 0 333.359 2.437 10 10 EECERO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)OC1=O ZINC000846845801 790672936 /nfs/dbraw/zinc/67/29/36/790672936.db2.gz QYUXDWVIXYAKGM-RHSMWYFYSA-N 1 0 333.432 2.015 10 10 EECERO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC34CC4)CC2)cc1 ZINC000817423518 784779380 /nfs/dbraw/zinc/77/93/80/784779380.db2.gz LPPSHXBYALGCNT-GOSISDBHSA-N 1 0 343.471 2.124 10 10 EECERO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)C(C)C ZINC000787324246 807087997 /nfs/dbraw/zinc/08/79/97/807087997.db2.gz RZPMHUUVTSVFTC-LBPRGKRZSA-N 1 0 329.238 2.323 10 10 EECERO COc1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000824516726 788198489 /nfs/dbraw/zinc/19/84/89/788198489.db2.gz NMDPZTKXUHOUDZ-CYBMUJFWSA-N 1 0 333.409 2.062 10 10 EECERO COCCN1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825206564 788498499 /nfs/dbraw/zinc/49/84/99/788498499.db2.gz ZYUSGTRFUUKPSI-AWEZNQCLSA-N 1 0 343.265 2.355 10 10 EECERO Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O ZINC000846102325 790062697 /nfs/dbraw/zinc/06/26/97/790062697.db2.gz DDGPYTSUQLOIRU-PZROIBLQSA-N 1 0 330.247 2.168 10 10 EECERO O=C1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CN1CC1CC1 ZINC000716794147 796454800 /nfs/dbraw/zinc/45/48/00/796454800.db2.gz LHJOQRUBZXJOHM-CYBMUJFWSA-N 1 0 339.233 2.255 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922812765 801956685 /nfs/dbraw/zinc/95/66/85/801956685.db2.gz SXVQEQUMKVJUKR-IBGZPJMESA-N 1 0 346.471 2.341 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001497000728 1101812094 /nfs/dbraw/zinc/81/20/94/1101812094.db2.gz CSVWCKODDBWBAG-ZBFHGGJFSA-N 1 0 336.476 2.253 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001497000726 1101812277 /nfs/dbraw/zinc/81/22/77/1101812277.db2.gz CSVWCKODDBWBAG-HOCLYGCPSA-N 1 0 336.476 2.253 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CCOC2)cc1C ZINC001497261433 1102213945 /nfs/dbraw/zinc/21/39/45/1102213945.db2.gz DDDKMFQEKWVVKS-NVXWUHKLSA-N 1 0 334.460 2.415 10 10 EECERO Cn1nccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001460970310 1110330524 /nfs/dbraw/zinc/33/05/24/1110330524.db2.gz FXNSQQOGHBIFLO-FQEVSTJZSA-N 1 0 340.471 2.464 10 10 EECERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001472330382 1110552321 /nfs/dbraw/zinc/55/23/21/1110552321.db2.gz FCSKXMWJSKXAOU-HOTGVXAUSA-N 1 0 332.444 2.362 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001507225682 1115155598 /nfs/dbraw/zinc/15/55/98/1115155598.db2.gz DZLXOVPULULHED-INIZCTEOSA-N 1 0 334.460 2.007 10 10 EECERO CC[C@H](CNC(=O)c1ccc(C)nn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567958360 1124204626 /nfs/dbraw/zinc/20/46/26/1124204626.db2.gz MROUABQQBTUVMW-MRXNPFEDSA-N 1 0 342.443 2.400 10 10 EECERO CC[C@H](CNC(=O)[C@]12C[C@H]1COC2)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567961188 1124206219 /nfs/dbraw/zinc/20/62/19/1124206219.db2.gz DGGVNIYWCRNJQN-FCEWJHQRSA-N 1 0 332.444 2.025 10 10 EECERO CC[C@H](CNC(=O)c1c(C)cnn1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567973276 1124211873 /nfs/dbraw/zinc/21/18/73/1124211873.db2.gz COQSMLDEEOYASJ-MRXNPFEDSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cnccn2)cc1C ZINC001568601283 1124625032 /nfs/dbraw/zinc/62/50/32/1124625032.db2.gz HNMVGQBAOOCPGG-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO CC[C@H]([NH2+]CC(=O)NC1CC1)c1cc(Br)ccc1O ZINC000036782425 213118578 /nfs/dbraw/zinc/11/85/78/213118578.db2.gz HNFWYBQZMNOLJG-LBPRGKRZSA-N 1 0 327.222 2.474 10 10 EECERO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000328634052 258026528 /nfs/dbraw/zinc/02/65/28/258026528.db2.gz MLMVNKCPPSAMOK-LPHOPBHVSA-N 1 0 326.444 2.422 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000185972863 463915117 /nfs/dbraw/zinc/91/51/17/463915117.db2.gz DEWOZLGMRBVTOB-ZYHUDNBSSA-N 1 0 329.238 2.136 10 10 EECERO CCCN(CCC)c1ccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000276537683 464971056 /nfs/dbraw/zinc/97/10/56/464971056.db2.gz XIAHOEMSVBAKRO-INIZCTEOSA-N 1 0 332.448 2.033 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367082205 466118374 /nfs/dbraw/zinc/11/83/74/466118374.db2.gz YNMVNSXIUCTULL-HXUWFJFHSA-N 1 0 345.487 2.214 10 10 EECERO Cc1cn2c(n1)CN(C(=O)NCc1ccc(N3CC=CC3)cc1)CC2 ZINC000373306036 466760886 /nfs/dbraw/zinc/76/08/86/466760886.db2.gz VZFMEENRZNZZOH-UHFFFAOYSA-N 1 0 337.427 2.293 10 10 EECERO COc1ccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000662634266 472180449 /nfs/dbraw/zinc/18/04/49/472180449.db2.gz DSOLWXPWZTYCMW-SNVBAGLBSA-N 1 0 334.807 2.425 10 10 EECERO CCN(C)c1ccc(C[NH+]2CCN(Cc3nccn3C)CC2)cc1 ZINC000773757315 577363155 /nfs/dbraw/zinc/36/31/55/577363155.db2.gz OULRPSUPYDETOQ-UHFFFAOYSA-N 1 0 327.476 2.194 10 10 EECERO CN(C)c1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1F ZINC000768653778 577560321 /nfs/dbraw/zinc/56/03/21/577560321.db2.gz XZAOPIICLPHDIB-UHFFFAOYSA-N 1 0 328.453 2.196 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000771288910 577613154 /nfs/dbraw/zinc/61/31/54/577613154.db2.gz PIRRGDUMITXMMG-YVNFWLBFSA-N 1 0 333.388 2.310 10 10 EECERO COCCOC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093754728 693740141 /nfs/dbraw/zinc/74/01/41/693740141.db2.gz DIDHZWWKGZSERY-GOSISDBHSA-N 1 0 334.460 2.008 10 10 EECERO NC(=O)C1CCN(c2ccc(C[NH2+]CCC[C@H]3CCO3)cc2)CC1 ZINC000895813101 684734093 /nfs/dbraw/zinc/73/40/93/684734093.db2.gz CHODGAHGVNFDBX-SFHVURJKSA-N 1 0 331.460 2.047 10 10 EECERO COc1ccc(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)cc1 ZINC000237268956 685201347 /nfs/dbraw/zinc/20/13/47/685201347.db2.gz FJNOIQHKYKODBV-UHFFFAOYSA-N 1 0 325.412 2.116 10 10 EECERO CO[C@@H](C)C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001266622234 1177016628 /nfs/dbraw/zinc/01/66/28/1177016628.db2.gz VIUPOKUQBHOVLD-LBPRGKRZSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cnns2)cc1C ZINC001267981200 1180913988 /nfs/dbraw/zinc/91/39/88/1180913988.db2.gz FPPIHWSBLOTAKJ-LLVKDONJSA-N 1 0 334.445 2.011 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cn[nH]c2)C(C)C)cc1C ZINC001268203792 1182004272 /nfs/dbraw/zinc/00/42/72/1182004272.db2.gz FPAKEBQFIBCVSJ-INIZCTEOSA-N 1 0 330.432 2.271 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cc(C)nn2C)cc1C ZINC001268349860 1182306781 /nfs/dbraw/zinc/30/67/81/1182306781.db2.gz RZPHXKPMAJSZJK-CQSZACIVSA-N 1 0 344.459 2.344 10 10 EECERO CC[C@H](CNC(=O)c1ccncn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481861958 1182829704 /nfs/dbraw/zinc/82/97/04/1182829704.db2.gz KNNSFINPDRAVDM-OAHLLOKOSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCO2)C(C)C)cc1C ZINC001271808609 1186508764 /nfs/dbraw/zinc/50/87/64/1186508764.db2.gz JKBMENSPQMVMRC-FUHWJXTLSA-N 1 0 334.460 2.413 10 10 EECERO COc1cc(C)cc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000905706938 1189877085 /nfs/dbraw/zinc/87/70/85/1189877085.db2.gz IOWNZZMXFQYIFW-KBXCAEBGSA-N 1 0 334.416 2.420 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccncc3)CC2)cc1C ZINC001483712539 1190796508 /nfs/dbraw/zinc/79/65/08/1190796508.db2.gz ZIMOQLAHTMLRLU-UHFFFAOYSA-N 1 0 325.412 2.451 10 10 EECERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000870883545 1200929757 /nfs/dbraw/zinc/92/97/57/1200929757.db2.gz AXKHYRLNRLNXBR-CYJAXWMASA-N 1 0 330.428 2.027 10 10 EECERO C[C@@H](NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868750881 1201871546 /nfs/dbraw/zinc/87/15/46/1201871546.db2.gz XSZAFILWBBFTAN-BYNSBNAKSA-N 1 0 335.448 2.250 10 10 EECERO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924728556 1206024789 /nfs/dbraw/zinc/02/47/89/1206024789.db2.gz JIXXJUYXAZVKNN-GFIVTLFCSA-N 1 0 345.487 2.149 10 10 EECERO CNC(=O)C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000796035693 1215261970 /nfs/dbraw/zinc/26/19/70/1215261970.db2.gz BDLJAFQKNMGTAF-HNNXBMFYSA-N 1 0 344.411 2.376 10 10 EECERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845055 1248088812 /nfs/dbraw/zinc/08/88/12/1248088812.db2.gz CPVORLQYDMJKKE-LLVKDONJSA-N 1 0 337.221 2.268 10 10 EECERO CO[C@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826952771 1248223841 /nfs/dbraw/zinc/22/38/41/1248223841.db2.gz SHGPHOXPAIXMPW-CQSZACIVSA-N 1 0 330.222 2.128 10 10 EECERO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 ZINC000850395339 1277212939 /nfs/dbraw/zinc/21/29/39/1277212939.db2.gz GFXOUOOLCWCYDT-RTBURBONSA-N 1 0 329.488 2.486 10 10 EECERO Cn1c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cnc1Cl ZINC000850406648 1277216668 /nfs/dbraw/zinc/21/66/68/1277216668.db2.gz OPADRZVJGZFPBE-UHFFFAOYSA-N 1 0 334.851 2.324 10 10 EECERO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(F)ccc1O ZINC000850520175 1277259076 /nfs/dbraw/zinc/25/90/76/1277259076.db2.gz TUCIQHGRVHNGDN-MRVPVSSYSA-N 1 0 329.315 2.159 10 10 EECERO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851937664 1291924269 /nfs/dbraw/zinc/92/42/69/1291924269.db2.gz AMXPZHKXPLFRIA-MRXNPFEDSA-N 1 0 348.491 2.305 10 10 EECERO COc1ccc2c(c1)CCCN2C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000852805860 1292204073 /nfs/dbraw/zinc/20/40/73/1292204073.db2.gz NWNSNUQZJHCMMG-ZDUSSCGKSA-N 1 0 326.400 2.088 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]([NH3+])c3ccc(C)cc3)C2)cc1 ZINC000852900865 1292227978 /nfs/dbraw/zinc/22/79/78/1292227978.db2.gz UIGWIIMQXYPZHC-LPHOPBHVSA-N 1 0 339.439 2.399 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C2)cc1 ZINC000854299162 1292709894 /nfs/dbraw/zinc/70/98/94/1292709894.db2.gz FDWXKOAKAASLAN-MRXNPFEDSA-N 1 0 348.491 2.256 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H]([NH+](C)C)C3)C2)cc1 ZINC000854302365 1292712075 /nfs/dbraw/zinc/71/20/75/1292712075.db2.gz ZPYSPSNDCJCVRL-WBVHZDCISA-N 1 0 346.475 2.010 10 10 EECERO C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C[NH2+]1 ZINC000861691778 1295508081 /nfs/dbraw/zinc/50/80/81/1295508081.db2.gz ZBNMVPMNWVGREU-MWLCHTKSSA-N 1 0 342.237 2.094 10 10 EECERO O=C1OCC[C@H]2CN(Cc3c(O)cccc3Br)CCN12 ZINC000862252251 1295772613 /nfs/dbraw/zinc/77/26/13/1295772613.db2.gz DNEUBGZQIHQWTL-JTQLQIEISA-N 1 0 341.205 2.181 10 10 EECERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000862484752 1295855295 /nfs/dbraw/zinc/85/52/95/1295855295.db2.gz ANHRRPHVYZBZME-ZIAGYGMSSA-N 1 0 346.880 2.304 10 10 EECERO NC(=O)C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000862535736 1295871504 /nfs/dbraw/zinc/87/15/04/1295871504.db2.gz XRLOKIZKUFUPHP-QGZVFWFLSA-N 1 0 326.396 2.135 10 10 EECERO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000694752645 1304134937 /nfs/dbraw/zinc/13/49/37/1304134937.db2.gz PALNMAYMXQURQR-IBGZPJMESA-N 1 0 343.446 2.437 10 10 EECERO C[C@@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccc(N(C)C)cc1 ZINC001234556940 1304967357 /nfs/dbraw/zinc/96/73/57/1304967357.db2.gz WSSODBLRKCRZGN-OGWOLHLISA-N 1 0 330.476 2.407 10 10 EECERO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000842000773 1315649493 /nfs/dbraw/zinc/64/94/93/1315649493.db2.gz JTSOLVORRQWNBD-VHSXEESVSA-N 1 0 344.253 2.422 10 10 EECERO Cc1cc(Br)cc(C[NH2+]CCCc2ncn(C)n2)c1O ZINC000843420243 1315912057 /nfs/dbraw/zinc/91/20/57/1315912057.db2.gz UFYGSLGQXBYMFP-UHFFFAOYSA-N 1 0 339.237 2.314 10 10 EECERO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001292456260 1328415437 /nfs/dbraw/zinc/41/54/37/1328415437.db2.gz NGRXIHGHUAEQQD-UHFFFAOYSA-N 1 0 328.412 2.231 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)c2c[nH]cn2)cc1C ZINC001491639903 1330193889 /nfs/dbraw/zinc/19/38/89/1330193889.db2.gz RYJINNDJDPOALV-AWEZNQCLSA-N 1 0 344.459 2.299 10 10 EECERO CC[C@@H](CNC(=O)c1cn(C)cn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318512836 1332553627 /nfs/dbraw/zinc/55/36/27/1332553627.db2.gz CNGUMXNOOKVPNZ-HNNXBMFYSA-N 1 0 330.432 2.035 10 10 EECERO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](O)C(F)F ZINC001324662613 1333733949 /nfs/dbraw/zinc/73/39/49/1333733949.db2.gz MMCJYGYWGXMCCE-ZBFHGGJFSA-N 1 0 345.409 2.072 10 10 EECERO C/C=C(\C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001327553835 1334313927 /nfs/dbraw/zinc/31/39/27/1334313927.db2.gz DUTTWULKHABUNZ-NINHTKBVSA-N 1 0 346.471 2.413 10 10 EECERO COC1CC(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001327576155 1334317530 /nfs/dbraw/zinc/31/75/30/1334317530.db2.gz DCLDVYAVXNCQFB-UHFFFAOYSA-N 1 0 335.467 2.482 10 10 EECERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327953103 1334369236 /nfs/dbraw/zinc/36/92/36/1334369236.db2.gz UFXNDVAMIOQCIM-SJLPKXTDSA-N 1 0 335.467 2.170 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)cc2F)CC1 ZINC001329293876 1334621647 /nfs/dbraw/zinc/62/16/47/1334621647.db2.gz XADKUQLLBATLJT-DAELLWKTSA-N 1 0 345.462 2.091 10 10 EECERO C[C@@H]1CC[N@H+](CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000848067772 1338481341 /nfs/dbraw/zinc/48/13/41/1338481341.db2.gz BHZBLBLXIMKJBC-SNVBAGLBSA-N 1 0 327.222 2.113 10 10 EECERO Cc1cc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]n1 ZINC001558723023 1342487174 /nfs/dbraw/zinc/48/71/74/1342487174.db2.gz FNTDMNBSMVQWPC-SFHVURJKSA-N 1 0 343.475 2.136 10 10 EECERO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c(C)n1-c1cccc(C)c1 ZINC001642421895 1352731155 /nfs/dbraw/zinc/73/11/55/1352731155.db2.gz LSVVRIOQKNSZBU-UHFFFAOYSA-N 1 0 343.471 2.399 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)c2ccc(C)o2)cc1C ZINC001672580047 1356557571 /nfs/dbraw/zinc/55/75/71/1356557571.db2.gz ARZSONOOBBNJRN-UHFFFAOYSA-N 1 0 346.427 2.129 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ocnc3C)CC2)cc1C ZINC001699649509 1405429412 /nfs/dbraw/zinc/42/94/12/1405429412.db2.gz RONKLAJOEWYOAB-UHFFFAOYSA-N 1 0 329.400 2.352 10 10 EECERO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1nc2c(s1)CCC2 ZINC000844218963 788908786 /nfs/dbraw/zinc/90/87/86/788908786.db2.gz GNUNKWVFWGKMOX-UHFFFAOYSA-N 1 0 342.468 2.482 10 10 EECERO O=C1O[C@@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CN1C1CC1 ZINC000844308022 789003835 /nfs/dbraw/zinc/00/38/35/789003835.db2.gz VYWCFQWAGHMROK-SJORKVTESA-N 1 0 346.427 2.356 10 10 EECERO COCCOCC[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000846117405 790055892 /nfs/dbraw/zinc/05/58/92/790055892.db2.gz POODOAGFXSLWHO-SNAWJCMRSA-N 1 0 347.503 2.046 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000922525505 801243828 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C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001466665493 1110440535 /nfs/dbraw/zinc/44/05/35/1110440535.db2.gz KEXOHTXYHSXKNT-YOEHRIQHSA-N 1 0 340.423 2.277 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnco3)CCC2)cc1C ZINC001501987412 1113548704 /nfs/dbraw/zinc/54/87/04/1113548704.db2.gz WTWFNKRFQATPCU-UHFFFAOYSA-N 1 0 329.400 2.434 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2csnn2)cc1C ZINC001507104895 1115110893 /nfs/dbraw/zinc/11/08/93/1115110893.db2.gz RRZYPCHXZRZSKG-GFCCVEGCSA-N 1 0 334.445 2.105 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001520814412 1119196018 /nfs/dbraw/zinc/19/60/18/1119196018.db2.gz YYLLJZHDXDOFNZ-KBAYOESNSA-N 1 0 330.476 2.200 10 10 EECERO COc1ccc(N2CCCN(C(=O)CC[N@@H+]3CC[C@H](F)C3)CC2)cc1 ZINC001543358239 1124128704 /nfs/dbraw/zinc/12/87/04/1124128704.db2.gz AHHMVCJAGGPARS-INIZCTEOSA-N 1 0 349.450 2.168 10 10 EECERO COCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569156367 1125133826 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CC[C@H](OC)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001656121862 1354205393 /nfs/dbraw/zinc/20/53/93/1354205393.db2.gz DKGPBTAOKWDNLU-BBWFWOEESA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2oncc2C)cc1C ZINC001666641486 1355558411 /nfs/dbraw/zinc/55/84/11/1355558411.db2.gz LZFSRBVGAPJYFI-GFCCVEGCSA-N 1 0 331.416 2.456 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2snnc2C)cc1C ZINC001698742541 1405040984 /nfs/dbraw/zinc/04/09/84/1405040984.db2.gz XZNRVAKYWJIECS-NSHDSACASA-N 1 0 348.472 2.319 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC000840133779 782337317 /nfs/dbraw/zinc/33/73/17/782337317.db2.gz RVPDNJBJGVYHTC-KBXCAEBGSA-N 1 0 340.423 2.468 10 10 EECERO O=C(NCCCSc1nccs1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000154629285 768863246 /nfs/dbraw/zinc/86/32/46/768863246.db2.gz BLUVSVDABZYKIT-CYBMUJFWSA-N 1 0 338.502 2.281 10 10 EECERO CCCONC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000828301139 783216500 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O=C(C1CCC([NH+]2CCOCC2)CC1)N1Cc2cccc(O)c2C1 ZINC000913725962 794182957 /nfs/dbraw/zinc/18/29/57/794182957.db2.gz FEWKDDJILSVYNL-UHFFFAOYSA-N 1 0 330.428 2.125 10 10 EECERO C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1c1cc[nH+]cc1 ZINC000915277970 795807816 /nfs/dbraw/zinc/80/78/16/795807816.db2.gz MFZSHHWGDDEPRZ-PKXJPQMGSA-N 1 0 339.395 2.243 10 10 EECERO COc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000788384470 807507445 /nfs/dbraw/zinc/50/74/45/807507445.db2.gz SHUNVTPDRAHRQA-LJQANCHMSA-N 1 0 332.444 2.410 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000792935019 810077852 /nfs/dbraw/zinc/07/78/52/810077852.db2.gz CSBRVXRQWJMSIZ-XLIONFOSSA-N 1 0 347.503 2.364 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(C)CCOCC2)cc1C ZINC001480555134 1100393616 /nfs/dbraw/zinc/39/36/16/1100393616.db2.gz OWRABSAPYJILEB-HNNXBMFYSA-N 1 0 334.460 2.415 10 10 EECERO CCO[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001506875117 1114944073 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CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(=O)NCC[NH+](C)C ZINC000756860349 577851805 /nfs/dbraw/zinc/85/18/05/577851805.db2.gz UMLASZHKLNXYIZ-BBRMVZONSA-N 1 0 339.455 2.274 10 10 EECERO CCOc1cccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000895341184 684516621 /nfs/dbraw/zinc/51/66/21/684516621.db2.gz FOJFQHRSLGIPHY-OAHLLOKOSA-N 1 0 333.432 2.171 10 10 EECERO CCCN(Cc1ccccc1O)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896056356 684818346 /nfs/dbraw/zinc/81/83/46/684818346.db2.gz DGHKLYCOCHXKHL-UHFFFAOYSA-N 1 0 332.444 2.242 10 10 EECERO COc1ccc(N2CCC(NC(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)cc1 ZINC000896088174 684830125 /nfs/dbraw/zinc/83/01/25/684830125.db2.gz PQGOKASNIISFGF-FQEVSTJZSA-N 1 0 343.471 2.266 10 10 EECERO C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000863544048 690717077 /nfs/dbraw/zinc/71/70/77/690717077.db2.gz JNQWGUXLEBCFEN-VIFPVBQESA-N 1 0 335.217 2.180 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccn(C)n2)C2CC2)cc1C ZINC001670558003 1176904794 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C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000865737697 1198353008 /nfs/dbraw/zinc/35/30/08/1198353008.db2.gz CCRNOUOWKKQCGG-FOIQADDNSA-N 1 0 326.440 2.081 10 10 EECERO COCCN1CCCN(Cc2cc(Cl)c(C)cc2O)CC1=O ZINC000825658476 1198509325 /nfs/dbraw/zinc/50/93/25/1198509325.db2.gz OZJNJBZCCWXLPS-UHFFFAOYSA-N 1 0 326.824 2.035 10 10 EECERO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000810213496 1199353561 /nfs/dbraw/zinc/35/35/61/1199353561.db2.gz UDCVIKILPJYVQC-SFHVURJKSA-N 1 0 343.475 2.055 10 10 EECERO CO[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000122706087 1200204772 /nfs/dbraw/zinc/20/47/72/1200204772.db2.gz IYVYSKHETBTYLN-INIZCTEOSA-N 1 0 345.487 2.260 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2nc(C)c[nH]2)cc1C ZINC001274798264 1205167495 /nfs/dbraw/zinc/16/74/95/1205167495.db2.gz OLPZWSBGXUREFL-ZDUSSCGKSA-N 1 0 330.432 2.333 10 10 EECERO Cc1ccc(O)c(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000093078096 1214760280 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EECERO COc1ccc(N2CCCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000851678135 1277714828 /nfs/dbraw/zinc/71/48/28/1277714828.db2.gz OYWPMSNBWFJBGM-GOSISDBHSA-N 1 0 348.491 2.290 10 10 EECERO C[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Br)CS1(=O)=O ZINC000858189523 1294037859 /nfs/dbraw/zinc/03/78/59/1294037859.db2.gz MZCFRQXNVRNZPM-VHSXEESVSA-N 1 0 348.262 2.210 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000858225695 1294052476 /nfs/dbraw/zinc/05/24/76/1294052476.db2.gz IMAJEAAAQBSSAD-GJZGRUSLSA-N 1 0 332.366 2.401 10 10 EECERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COCCN2C)c1O ZINC000858523390 1294143268 /nfs/dbraw/zinc/14/32/68/1294143268.db2.gz QWGHVNOZUDMBMO-AAEUAGOBSA-N 1 0 343.265 2.444 10 10 EECERO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000858542849 1294149650 /nfs/dbraw/zinc/14/96/50/1294149650.db2.gz YLDHHSIKVQJZFU-LLVKDONJSA-N 1 0 342.823 2.074 10 10 EECERO CO[C@]1(CO)CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862410084 1295835214 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CC(C)[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](O)CO ZINC000817418015 784768691 /nfs/dbraw/zinc/76/86/91/784768691.db2.gz XQWCQVJPDXKBTQ-AWEZNQCLSA-N 1 0 334.382 2.335 10 10 EECERO CNC(=O)C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000818185127 785230787 /nfs/dbraw/zinc/23/07/87/785230787.db2.gz POIDCAGIDWIGIU-HXUWFJFHSA-N 1 0 345.487 2.140 10 10 EECERO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000822470247 787222243 /nfs/dbraw/zinc/22/22/43/787222243.db2.gz KPNIBLXTAVXJMX-DJIMGWMZSA-N 1 0 333.501 2.372 10 10 EECERO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000824517249 788198891 /nfs/dbraw/zinc/19/88/91/788198891.db2.gz RTIPZUNWJWUJLN-OAHLLOKOSA-N 1 0 329.421 2.282 10 10 EECERO C[N@H+](Cc1cnn2c1CCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000824535040 788206210 /nfs/dbraw/zinc/20/62/10/788206210.db2.gz MYHHXLJYOMNRFK-UHFFFAOYSA-N 1 0 326.444 2.298 10 10 EECERO CN(c1ccc(CNC(=O)COC2(C)C[NH2+]C2)cc1)C1CCCCC1 ZINC000844177184 788888486 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C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000177056993 464918502 /nfs/dbraw/zinc/91/85/02/464918502.db2.gz PZOQSSPRSCGHFS-APWZRJJASA-N 1 0 346.519 2.126 10 10 EECERO CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O ZINC000177143082 464942536 /nfs/dbraw/zinc/94/25/36/464942536.db2.gz BCIOYXMQQDEQIN-AWEZNQCLSA-N 1 0 326.824 2.011 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1 ZINC000367831714 466541694 /nfs/dbraw/zinc/54/16/94/466541694.db2.gz KDBBHHKQRSODDD-CQSZACIVSA-N 1 0 327.446 2.190 10 10 EECERO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000377578822 467090934 /nfs/dbraw/zinc/09/09/34/467090934.db2.gz HKPZXERGOPLGLY-UHFFFAOYSA-N 1 0 329.448 2.449 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CNc3ccccn3)C1)OCO2 ZINC000092812865 534447827 /nfs/dbraw/zinc/44/78/27/534447827.db2.gz NKZVMSHQENMDIK-ZDUSSCGKSA-N 1 0 327.384 2.450 10 10 EECERO CCN(C)c1ccc(C[NH+]2CCN(c3cc(OC)ncn3)CC2)cc1 ZINC000773846158 577368313 /nfs/dbraw/zinc/36/83/13/577368313.db2.gz MCXCFVCPCNPVHK-UHFFFAOYSA-N 1 0 341.459 2.264 10 10 EECERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccc(Cl)cc1 ZINC000262323786 685352293 /nfs/dbraw/zinc/35/22/93/685352293.db2.gz ROGHPJQBTZZKSB-DYVFJYSZSA-N 1 0 347.846 2.058 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000328097427 683147305 /nfs/dbraw/zinc/14/73/05/683147305.db2.gz RGGUNSVXEOXCPU-MBOZVWFJSA-N 1 0 345.487 2.244 10 10 EECERO COC(=O)c1c(C[N@H+](C)C2(CO)CCC2)c2cc(F)ccc2n1C ZINC000895357178 684536638 /nfs/dbraw/zinc/53/66/38/684536638.db2.gz JTDUJKNZDHXNIH-UHFFFAOYSA-N 1 0 334.391 2.451 10 10 EECERO Cc1cccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1O ZINC000895613287 684662944 /nfs/dbraw/zinc/66/29/44/684662944.db2.gz BBYBEQUORRFSPS-UHFFFAOYSA-N 1 0 326.462 2.041 10 10 EECERO COC(=O)c1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)n(C)c1C ZINC000895645978 684673715 /nfs/dbraw/zinc/67/37/15/684673715.db2.gz FPAKYQNRYKKNBG-UHFFFAOYSA-N 1 0 332.400 2.433 10 10 EECERO C[C@H](CC[NH2+]Cc1ccon1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268430765 1182602400 /nfs/dbraw/zinc/60/24/00/1182602400.db2.gz XPZGXYGZNTXFAL-LLVKDONJSA-N 1 0 344.375 2.135 10 10 EECERO CC[C@@H](CNC(=O)c1cn(C)nc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481797488 1182716264 /nfs/dbraw/zinc/71/62/64/1182716264.db2.gz LYUXBVQIWLVDSJ-INIZCTEOSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccc(C)nc2)cc1C ZINC001691605796 1188307298 /nfs/dbraw/zinc/30/72/98/1188307298.db2.gz GTODNRPJNYHHCH-UHFFFAOYSA-N 1 0 341.455 2.498 10 10 EECERO COc1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001485864204 1193620610 /nfs/dbraw/zinc/62/06/10/1193620610.db2.gz CEXVLCJAWVIQBZ-CYBMUJFWSA-N 1 0 347.415 2.251 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000872311448 1198141110 /nfs/dbraw/zinc/14/11/10/1198141110.db2.gz MZWDEACGMBEWFN-MJGOQNOKSA-N 1 0 331.460 2.012 10 10 EECERO C[C@@H]1CN(Cc2ccc(Br)cc2O)[C@@H](C)C[N@@H+]1CCO ZINC000826131675 1201306930 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COc1ccc(N2CC[C@H](NC(=O)C3([NH2+]C4CC4)CCC3)C2)cc1 ZINC000852900785 1292227260 /nfs/dbraw/zinc/22/72/60/1292227260.db2.gz RSSCXKIOLPJJON-HNNXBMFYSA-N 1 0 329.444 2.065 10 10 EECERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298310 1292710332 /nfs/dbraw/zinc/71/03/32/1292710332.db2.gz ACHAHPUFVZXUBO-MRXNPFEDSA-N 1 0 348.491 2.257 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000855231161 1293121993 /nfs/dbraw/zinc/12/19/93/1293121993.db2.gz KZHFDAVGZDGSDE-JYJNAYRXSA-N 1 0 331.460 2.263 10 10 EECERO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000856594508 1293575673 /nfs/dbraw/zinc/57/56/73/1293575673.db2.gz GRTZMRXKFQBQHI-SFHVURJKSA-N 1 0 331.416 2.216 10 10 EECERO Cc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000858306087 1294077163 /nfs/dbraw/zinc/07/71/63/1294077163.db2.gz IJRKMULDADNOQA-SFHVURJKSA-N 1 0 327.428 2.086 10 10 EECERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000858489138 1294131489 /nfs/dbraw/zinc/13/14/89/1294131489.db2.gz UOEVZXFSTHFUKI-UONOGXRCSA-N 1 0 338.415 2.068 10 10 EECERO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[NH2+]1 ZINC000861559620 1295456425 /nfs/dbraw/zinc/45/64/25/1295456425.db2.gz UCSMEMBHEQGMSO-GDBMZVCRSA-N 1 0 348.516 2.180 10 10 EECERO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(N(C)C)cc1 ZINC000841882356 1315630414 /nfs/dbraw/zinc/63/04/14/1315630414.db2.gz XYNIYPUODVUGOE-BHYGNILZSA-N 1 0 330.476 2.455 10 10 EECERO Nc1ccc(CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1 ZINC000842513358 1315718899 /nfs/dbraw/zinc/71/88/99/1315718899.db2.gz BVNLIUWZCYKENP-ZWKOTPCHSA-N 1 0 327.403 2.294 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cncnc3OC)C2)cc1 ZINC000842714319 1315759737 /nfs/dbraw/zinc/75/97/37/1315759737.db2.gz OIBOJQAYQNTXOO-CQSZACIVSA-N 1 0 328.416 2.110 10 10 EECERO CCOc1ccc(C[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)c(O)c1 ZINC000843432142 1315914258 /nfs/dbraw/zinc/91/42/58/1315914258.db2.gz IMYGOABDOSENHG-HNNXBMFYSA-N 1 0 346.349 2.291 10 10 EECERO CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001294858599 1329171496 /nfs/dbraw/zinc/17/14/96/1329171496.db2.gz CGNHUYQYHRGXEQ-SQWLQELKSA-N 1 0 338.835 2.161 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccc(=O)[nH]2)cc1C ZINC001282114872 1325626289 /nfs/dbraw/zinc/62/62/89/1325626289.db2.gz VJACOYZWAYUVPZ-KGLIPLIRSA-N 1 0 343.427 2.401 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCCOC1 ZINC001320693508 1332936208 /nfs/dbraw/zinc/93/62/08/1332936208.db2.gz IMZNZMBHZRHQNR-KRWDZBQOSA-N 1 0 334.460 2.368 10 10 EECERO CN1CCN(c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2F)CC1 ZINC001324745884 1333751141 /nfs/dbraw/zinc/75/11/41/1333751141.db2.gz GADQJPHLJQJIQH-XEWABKELSA-N 1 0 347.478 2.170 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001351162312 1337791187 /nfs/dbraw/zinc/79/11/87/1337791187.db2.gz FTNPVGOBBOFXSZ-JKSUJKDBSA-N 1 0 331.460 2.170 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cn(C)cn2)cc1C ZINC001567212470 1342712647 /nfs/dbraw/zinc/71/26/47/1342712647.db2.gz ORIZVYOQIZZYQC-CQSZACIVSA-N 1 0 330.432 2.035 10 10 EECERO CCCCC[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001647082912 1353131621 /nfs/dbraw/zinc/13/16/21/1353131621.db2.gz XLRVLOHFQHSTOF-MSOLQXFVSA-N 1 0 335.492 2.413 10 10 EECERO CCc1nnsc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669606869 1356183562 /nfs/dbraw/zinc/18/35/62/1356183562.db2.gz XERAIDQPKNGITH-LBPRGKRZSA-N 1 0 348.472 2.326 10 10 EECERO C[C@@H](F)CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001699676844 1405435987 /nfs/dbraw/zinc/43/59/87/1405435987.db2.gz WOUVAFLIEIAFIZ-LLVKDONJSA-N 1 0 335.383 2.449 10 10 EECERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997149 785114410 /nfs/dbraw/zinc/11/44/10/785114410.db2.gz UPTWUDDQCBTMJV-HNNXBMFYSA-N 1 0 344.484 2.482 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3[NH2+]CCCC3(C)C)C2)cc1 ZINC000818270053 785248229 /nfs/dbraw/zinc/24/82/29/785248229.db2.gz XUIAQTJHDOELKZ-QAPCUYQASA-N 1 0 345.487 2.416 10 10 EECERO OC1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC000825137892 788453244 /nfs/dbraw/zinc/45/32/44/788453244.db2.gz FUEXNEPQFZSPFQ-HNAYVOBHSA-N 1 0 334.435 2.444 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)Oc1ccccc1O3)[C@H](O)CO2 ZINC000808239084 812550863 /nfs/dbraw/zinc/55/08/63/812550863.db2.gz SKTXYYVYVAVVFM-OAHLLOKOSA-N 1 0 341.363 2.191 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2[nH]cnc2C)cc1C ZINC001497734662 1102984874 /nfs/dbraw/zinc/98/48/74/1102984874.db2.gz PNXKISCCPRWNPP-SNAWJCMRSA-N 1 0 342.443 2.040 10 10 EECERO O=C(NCc1cc(O)ccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001455351297 1108467893 /nfs/dbraw/zinc/46/78/93/1108467893.db2.gz FLQCKNQHUYQEDN-HNNXBMFYSA-N 1 0 326.396 2.236 10 10 EECERO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000054468690 214239594 /nfs/dbraw/zinc/23/95/94/214239594.db2.gz UXNUQIMRPHCZQC-AWEZNQCLSA-N 1 0 334.441 2.059 10 10 EECERO O=C(CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)N1CCCCC1 ZINC000066973245 215100409 /nfs/dbraw/zinc/10/04/09/215100409.db2.gz BKIMFPCECVMOEM-UHFFFAOYSA-N 1 0 349.450 2.155 10 10 EECERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O ZINC000289322877 464074770 /nfs/dbraw/zinc/07/47/70/464074770.db2.gz FVYMHNODJQQNCB-AWEZNQCLSA-N 1 0 346.880 2.210 10 10 EECERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CC(F)(F)F ZINC000188638878 464330583 /nfs/dbraw/zinc/33/05/83/464330583.db2.gz PXRNRUNECJSVQJ-HNNXBMFYSA-N 1 0 332.366 2.268 10 10 EECERO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188662886 464336443 /nfs/dbraw/zinc/33/64/43/464336443.db2.gz BPFKLLFFAXEAJO-NWDGAFQWSA-N 1 0 345.212 2.203 10 10 EECERO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294480567 464513183 /nfs/dbraw/zinc/51/31/83/464513183.db2.gz AMADXLYUPPNCRS-LBPRGKRZSA-N 1 0 329.847 2.300 10 10 EECERO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000366494511 465763761 /nfs/dbraw/zinc/76/37/61/465763761.db2.gz ZEKSENMSMSSSPW-FXAWDEMLSA-N 1 0 346.471 2.293 10 10 EECERO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000375792962 466876177 /nfs/dbraw/zinc/87/61/77/466876177.db2.gz RMFXJZCHCFHWGR-HSALFYBXSA-N 1 0 329.488 2.486 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1OC ZINC000529671062 467893160 /nfs/dbraw/zinc/89/31/60/467893160.db2.gz YIYYFDVHAALPCK-OAHLLOKOSA-N 1 0 342.395 2.326 10 10 EECERO CN(C(=O)/C=C/c1cnccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005885 577141750 /nfs/dbraw/zinc/14/17/50/577141750.db2.gz JQHNPBNMODLXNE-RUDMXATFSA-N 1 0 326.400 2.093 10 10 EECERO C[NH+]1CCN(c2ccc([C@@H]3Nc4cc(F)ccc4C(=O)N3)cc2)CC1 ZINC000771520229 577216702 /nfs/dbraw/zinc/21/67/02/577216702.db2.gz GVYSOGNVHGQDBJ-GOSISDBHSA-N 1 0 340.402 2.432 10 10 EECERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OCC)cc1O ZINC000776014477 577450527 /nfs/dbraw/zinc/45/05/27/577450527.db2.gz RYFIPCBPJRPIPR-GOEBONIOSA-N 1 0 337.416 2.333 10 10 EECERO COC(=O)c1c(C[N@H+](C[C@H](C)O)C2CC2)c2cc(F)ccc2n1C ZINC000895192150 684267356 /nfs/dbraw/zinc/26/73/56/684267356.db2.gz CCLZMDXSDIIMMS-NSHDSACASA-N 1 0 334.391 2.449 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2c[nH]nc2C)cc1C ZINC001267140027 1178314426 /nfs/dbraw/zinc/31/44/26/1178314426.db2.gz NRCSLQXMRBVOPV-ZDUSSCGKSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CCCO2)cc1C ZINC001268517466 1183165040 /nfs/dbraw/zinc/16/50/40/1183165040.db2.gz ZZLQLZOYGHSPNS-CWIOURORSA-N 1 0 332.444 2.335 10 10 EECERO COc1ccc(N2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC001626479682 1193473407 /nfs/dbraw/zinc/47/34/07/1193473407.db2.gz MBHXGBNPPDMFMI-OAHLLOKOSA-N 1 0 331.460 2.122 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001482825743 1187746206 /nfs/dbraw/zinc/74/62/06/1187746206.db2.gz BFSGWQSLPOSPBV-OAHLLOKOSA-N 1 0 332.444 2.335 10 10 EECERO C[C@H](O)CCC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272184677 1188000236 /nfs/dbraw/zinc/00/02/36/1188000236.db2.gz COIUIGUCSGHYTC-ZDUSSCGKSA-N 1 0 349.435 2.014 10 10 EECERO C[C@H](C[NH2+]Cc1ccns1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483199988 1189089271 /nfs/dbraw/zinc/08/92/71/1189089271.db2.gz CMKSWAUFXQTTPW-SNVBAGLBSA-N 1 0 346.416 2.214 10 10 EECERO COc1cc(C)cc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000905706947 1189877160 /nfs/dbraw/zinc/87/71/60/1189877160.db2.gz IOWNZZMXFQYIFW-KSSFIOAISA-N 1 0 334.416 2.420 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2c(C)cnn2C)cc1C ZINC001485180443 1191679066 /nfs/dbraw/zinc/67/90/66/1191679066.db2.gz DBXOWLHIZKKRBX-GJZGRUSLSA-N 1 0 344.459 2.342 10 10 EECERO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(Br)cc1O ZINC000866496043 1201532545 /nfs/dbraw/zinc/53/25/45/1201532545.db2.gz LXMRBNWFPKNAEK-JTQLQIEISA-N 1 0 349.232 2.484 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cncnc2C)cc1C ZINC001274686068 1205131443 /nfs/dbraw/zinc/13/14/43/1205131443.db2.gz IHRSLUUBIQXHMU-CYBMUJFWSA-N 1 0 328.416 2.010 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@@H](C)CO2)cc1C ZINC001276144032 1205796393 /nfs/dbraw/zinc/79/63/93/1205796393.db2.gz HPVIVIKRGNZWQA-RDTXWAMCSA-N 1 0 334.460 2.367 10 10 EECERO C[NH+](C)CCC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000827850731 1248826033 /nfs/dbraw/zinc/82/60/33/1248826033.db2.gz QMHVICLRSMKJNO-FQEVSTJZSA-N 1 0 347.503 2.066 10 10 EECERO CC[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850013622 1276990977 /nfs/dbraw/zinc/99/09/77/1276990977.db2.gz KIIWNEFZIAZOSD-MJGOQNOKSA-N 1 0 347.503 2.364 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)C[C@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000852844780 1292214824 /nfs/dbraw/zinc/21/48/24/1292214824.db2.gz ZQFWFXGTCIOORU-DOTOQJQBSA-N 1 0 345.487 2.416 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000854302363 1292712398 /nfs/dbraw/zinc/71/23/98/1292712398.db2.gz ZPYSPSNDCJCVRL-NVXWUHKLSA-N 1 0 346.475 2.010 10 10 EECERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230055 1293120894 /nfs/dbraw/zinc/12/08/94/1293120894.db2.gz MLFURXMBIXCVAK-CRAIPNDOSA-N 1 0 331.460 2.265 10 10 EECERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000862552301 1295878737 /nfs/dbraw/zinc/87/87/37/1295878737.db2.gz VRGMGJIQJDVLCY-LBPRGKRZSA-N 1 0 346.880 2.115 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ccnnc2)cc1C ZINC001277306743 1302299517 /nfs/dbraw/zinc/29/95/17/1302299517.db2.gz ZICNKSRDJQADJV-HNNXBMFYSA-N 1 0 342.443 2.482 10 10 EECERO COc1ccc(N2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)nc1 ZINC000840150362 1315310064 /nfs/dbraw/zinc/31/00/64/1315310064.db2.gz PUIOPVMFTZOEMD-UHFFFAOYSA-N 1 0 343.427 2.435 10 10 EECERO COC(=O)[C@H]1CSCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840187363 1315322843 /nfs/dbraw/zinc/32/28/43/1315322843.db2.gz VTLLWWTYEXZXAZ-CYBMUJFWSA-N 1 0 332.425 2.278 10 10 EECERO CCOCc1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)ccc1OC ZINC000842759373 1315768564 /nfs/dbraw/zinc/76/85/64/1315768564.db2.gz VCNSWNHZKLOIJA-LJQANCHMSA-N 1 0 337.460 2.499 10 10 EECERO C[NH2+]C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000843049205 1315829015 /nfs/dbraw/zinc/82/90/15/1315829015.db2.gz JHDQOQCKWASRFE-UHFFFAOYSA-N 1 0 329.238 2.347 10 10 EECERO COC1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1 ZINC001262113844 1322237908 /nfs/dbraw/zinc/23/79/08/1322237908.db2.gz CEQAUSLMFCIUEQ-UHFFFAOYSA-N 1 0 331.460 2.047 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2CCC(O)CC2)cc1C ZINC001265770942 1323371992 /nfs/dbraw/zinc/37/19/92/1323371992.db2.gz NFYGSQHASCMRIA-ODIFPOPNSA-N 1 0 334.460 2.149 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccnc(C)n2)cc1C ZINC001281768281 1325442432 /nfs/dbraw/zinc/44/24/32/1325442432.db2.gz KYHBRPOQAWTKDY-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001282205903 1325651213 /nfs/dbraw/zinc/65/12/13/1325651213.db2.gz ZMFIXSWBUALQEB-ZIAGYGMSSA-N 1 0 330.432 2.332 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccn[nH]2)C2CC2)cc1C ZINC001317016981 1332045688 /nfs/dbraw/zinc/04/56/88/1332045688.db2.gz MIETZYWTCPLCQV-MRXNPFEDSA-N 1 0 328.416 2.025 10 10 EECERO Fc1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc(F)c1N1CCOCC1 ZINC001333583092 1336079656 /nfs/dbraw/zinc/07/96/56/1336079656.db2.gz QBIQLDCZMGLCHB-PBHICJAKSA-N 1 0 338.398 2.459 10 10 EECERO COc1cc(Br)cc(CN[C@H](C[NH3+])C(F)(F)F)c1O ZINC000848716146 1338746338 /nfs/dbraw/zinc/74/63/38/1338746338.db2.gz UEYRGGCMPSSCDM-SECBINFHSA-N 1 0 343.143 2.143 10 10 EECERO C[NH+](C)[C@@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCSC1 ZINC001621216186 1352365125 /nfs/dbraw/zinc/36/51/25/1352365125.db2.gz HDCGMGXJDQNCHS-OAHLLOKOSA-N 1 0 335.433 2.016 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001540486963 1342326636 /nfs/dbraw/zinc/32/66/36/1342326636.db2.gz HSFZMRBKJAKWDV-MRXNPFEDSA-N 1 0 326.396 2.031 10 10 EECERO C[NH+](C)CCOC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001627193575 1352486782 /nfs/dbraw/zinc/48/67/82/1352486782.db2.gz UGSINKANHWSLQA-UHFFFAOYSA-N 1 0 347.419 2.032 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cnns2)cc1C ZINC001674633221 1356866086 /nfs/dbraw/zinc/86/60/86/1356866086.db2.gz JHFABIWEFLEUDU-VXGBXAGGSA-N 1 0 334.445 2.152 10 10 EECERO N#Cc1cccnc1N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000073136435 783660645 /nfs/dbraw/zinc/66/06/45/783660645.db2.gz YHFTXCHAEQEJSM-UHFFFAOYSA-N 1 0 334.423 2.470 10 10 EECERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413967 784766161 /nfs/dbraw/zinc/76/61/61/784766161.db2.gz ATXZTQRKOLZQBK-LBPRGKRZSA-N 1 0 329.366 2.339 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)cc1 ZINC000912292658 788090139 /nfs/dbraw/zinc/09/01/39/788090139.db2.gz ODJZQGMEWJZWHB-VDZJLULYSA-N 1 0 343.471 2.407 10 10 EECERO [NH3+]CC1(CCNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000846183113 790081955 /nfs/dbraw/zinc/08/19/55/790081955.db2.gz PGKFMSCDRSDVED-UHFFFAOYSA-N 1 0 342.237 2.083 10 10 EECERO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1c(O)cccc1F ZINC000914069060 794810442 /nfs/dbraw/zinc/81/04/42/794810442.db2.gz PNJRGFTXYHEQGZ-UHFFFAOYSA-N 1 0 343.402 2.389 10 10 EECERO Cc1cc(Br)cc(C[NH2+]C2(CC(N)=O)CCC2)c1O ZINC000789554347 808061399 /nfs/dbraw/zinc/06/13/99/808061399.db2.gz ORZJLGMSGDDUJV-UHFFFAOYSA-N 1 0 327.222 2.351 10 10 EECERO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805184573 811175102 /nfs/dbraw/zinc/17/51/02/811175102.db2.gz OXZULUBILXQHEG-GFCCVEGCSA-N 1 0 342.237 2.048 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2[nH]cnc2C)cc1C ZINC001480804575 1107147967 /nfs/dbraw/zinc/14/79/67/1107147967.db2.gz CCBHAEOMXBRXLO-CQSZACIVSA-N 1 0 344.459 2.262 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)CC(C)(C)O)C2CC2)cc1C ZINC001498748497 1108021908 /nfs/dbraw/zinc/02/19/08/1108021908.db2.gz GGOBJTLMNPNYNB-INIZCTEOSA-N 1 0 334.460 2.149 10 10 EECERO C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccccc1O ZINC000179879635 464202850 /nfs/dbraw/zinc/20/28/50/464202850.db2.gz PVALBECMDMJKAG-YJBOKZPZSA-N 1 0 326.440 2.462 10 10 EECERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000372282055 466274312 /nfs/dbraw/zinc/27/43/12/466274312.db2.gz 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ZINC000753737592 577792511 /nfs/dbraw/zinc/79/25/11/577792511.db2.gz GUAHCUWOUPRUDW-QGZVFWFLSA-N 1 0 349.450 2.357 10 10 EECERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656934 577861957 /nfs/dbraw/zinc/86/19/57/577861957.db2.gz PPMANOJFNXDIDZ-GOEBONIOSA-N 1 0 342.443 2.276 10 10 EECERO O=C(NCCCSc1nccs1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841856793 682611728 /nfs/dbraw/zinc/61/17/28/682611728.db2.gz KSXQFXNYBFROPL-GFCCVEGCSA-N 1 0 326.491 2.161 10 10 EECERO COc1ccc(N2CCN(Cc3c(C)ccnc3N)CC2)c(OC)c1 ZINC000895453249 684602398 /nfs/dbraw/zinc/60/23/98/684602398.db2.gz AELFPAUTGCWSKJ-UHFFFAOYSA-N 1 0 342.443 2.312 10 10 EECERO O=C([C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)N1CCOCC1 ZINC000124486526 686037390 /nfs/dbraw/zinc/03/73/90/686037390.db2.gz AVXKEPVINCAMDY-ZDUSSCGKSA-N 1 0 338.835 2.116 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2nccc(C)n2)cc1C ZINC001267980988 1180915146 /nfs/dbraw/zinc/91/51/46/1180915146.db2.gz YFQCZNQFXVJLFQ-ZDUSSCGKSA-N 1 0 342.443 2.258 10 10 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CCc1ncncc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569036190 1125057067 /nfs/dbraw/zinc/05/70/67/1125057067.db2.gz JJGBYGUODMKCQW-CQSZACIVSA-N 1 0 342.443 2.264 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000093012168 237042307 /nfs/dbraw/zinc/04/23/07/237042307.db2.gz WQFFOACYAUQQSP-KRWDZBQOSA-N 1 0 334.460 2.478 10 10 EECERO CC[C@H](CO)[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093739666 463045806 /nfs/dbraw/zinc/04/58/06/463045806.db2.gz ZWJMGXOZXVDEKG-CQSZACIVSA-N 1 0 343.265 2.043 10 10 EECERO Nc1ccc(CC(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000186610610 464032859 /nfs/dbraw/zinc/03/28/59/464032859.db2.gz ZDNJUZYNPIAUQC-IBGZPJMESA-N 1 0 338.455 2.377 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O ZINC000184701698 465019895 /nfs/dbraw/zinc/01/98/95/465019895.db2.gz HCMQCCPVWMIDJP-DOMZBBRYSA-N 1 0 340.851 2.207 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc[nH]n2)C1 ZINC000565813354 468138173 /nfs/dbraw/zinc/13/81/73/468138173.db2.gz SNNBINZJOQIDAX-UHFFFAOYSA-N 1 0 337.427 2.770 10 10 EECERO COc1cc(Br)cc(C[NH2+]CCc2cnn(C)c2)c1O ZINC000725848026 576067190 /nfs/dbraw/zinc/06/71/90/576067190.db2.gz SKCUKZMCFIQALJ-UHFFFAOYSA-N 1 0 340.221 2.229 10 10 EECERO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849173 576068988 /nfs/dbraw/zinc/06/89/88/576068988.db2.gz JNIJHSVYOYISHN-AWEZNQCLSA-N 1 0 344.419 2.355 10 10 EECERO Cc1cc(O)c(C[N@H+](C)CCN2CCCS2(=O)=O)cc1C(C)C ZINC000751934017 577762731 /nfs/dbraw/zinc/76/27/31/577762731.db2.gz HSQVYZPDKSEVGL-UHFFFAOYSA-N 1 0 340.489 2.291 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@H]3CCCC[C@@H]3C1)cc2=O ZINC000177572895 681380665 /nfs/dbraw/zinc/38/06/65/681380665.db2.gz ZTTOJRQRQUCVKK-CHWSQXEVSA-N 1 0 344.415 2.234 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000328097432 683147066 /nfs/dbraw/zinc/14/70/66/683147066.db2.gz RGGUNSVXEOXCPU-SQGPQFPESA-N 1 0 345.487 2.244 10 10 EECERO COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000895706581 684691146 /nfs/dbraw/zinc/69/11/46/684691146.db2.gz HFCRYZABWFLBNS-LJQANCHMSA-N 1 0 327.380 2.169 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C2CCOCC2)C2CC2)cc1C ZINC001670440261 1176783294 /nfs/dbraw/zinc/78/32/94/1176783294.db2.gz XORIUEUVCSWJNB-GOSISDBHSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC3(O)CCC3)C2)cc1C ZINC001691440398 1178615876 /nfs/dbraw/zinc/61/58/76/1178615876.db2.gz JKSUBXKUJJAOAV-CALCHBBNSA-N 1 0 346.471 2.293 10 10 EECERO C[C@@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268717805 1183638533 /nfs/dbraw/zinc/63/85/33/1183638533.db2.gz JIWTUHYNNFVHFM-SWLSCSKDSA-N 1 0 347.419 2.126 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCn2cccn2)cc1C ZINC001270897011 1185684419 /nfs/dbraw/zinc/68/44/19/1185684419.db2.gz YCPGYEPNOANQHX-INIZCTEOSA-N 1 0 344.459 2.227 10 10 EECERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)ccc1O ZINC000841892505 1188131150 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EECERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c(O)c1 ZINC000866628321 1201563595 /nfs/dbraw/zinc/56/35/95/1201563595.db2.gz IUHRKDHMIBZSOW-GFCCVEGCSA-N 1 0 329.400 2.428 10 10 EECERO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868281192 1201782318 /nfs/dbraw/zinc/78/23/18/1201782318.db2.gz JLOJUGWUVJFUIZ-AWEZNQCLSA-N 1 0 335.448 2.253 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2CCOC2)cc1C ZINC001274690002 1205132092 /nfs/dbraw/zinc/13/20/92/1205132092.db2.gz QKMLQYUQZRPFTK-DOTOQJQBSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2csc(=O)[nH]2)cc1C ZINC001274772450 1205157987 /nfs/dbraw/zinc/15/79/87/1205157987.db2.gz WGWOLRIBCANBFK-LBPRGKRZSA-N 1 0 349.456 2.464 10 10 EECERO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)CC2)cc1 ZINC000925318236 1206095737 /nfs/dbraw/zinc/09/57/37/1206095737.db2.gz DLRHNTAHTGFKOQ-YJBOKZPZSA-N 1 0 346.475 2.010 10 10 EECERO C[C@@H](NCc1cc(C(N)=O)co1)c1ccc(N2CCOCC2)c(F)c1 ZINC000187725117 1208537631 /nfs/dbraw/zinc/53/76/31/1208537631.db2.gz SLBLLCJQOVUSOH-GFCCVEGCSA-N 1 0 347.390 2.205 10 10 EECERO CCOc1cccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c1O ZINC000827837300 1248818472 /nfs/dbraw/zinc/81/84/72/1248818472.db2.gz BRKFFHLXYMBTNE-UHFFFAOYSA-N 1 0 326.396 2.448 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CSC1 ZINC000867152691 1283883441 /nfs/dbraw/zinc/88/34/41/1283883441.db2.gz NGVIJOANMHTLBG-UHFFFAOYSA-N 1 0 345.512 2.198 10 10 EECERO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000857243113 1293769976 /nfs/dbraw/zinc/76/99/76/1293769976.db2.gz WMALOTRDFSAQJB-QGZVFWFLSA-N 1 0 344.411 2.470 10 10 EECERO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000799146672 1305167425 /nfs/dbraw/zinc/16/74/25/1305167425.db2.gz AJDZVUNVULPYFY-DOTOQJQBSA-N 1 0 329.400 2.279 10 10 EECERO COc1cc(Br)cc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059274 1315465606 /nfs/dbraw/zinc/46/56/06/1315465606.db2.gz OZEYZLJSSGAVAF-CABZTGNLSA-N 1 0 329.238 2.251 10 10 EECERO CCN(Cc1cc(Br)ccc1O)C(=O)NCCC[NH3+] ZINC000841933179 1315641048 /nfs/dbraw/zinc/64/10/48/1315641048.db2.gz WYYRGSVXDVBFCX-UHFFFAOYSA-N 1 0 330.226 2.035 10 10 EECERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841990465 1315648358 /nfs/dbraw/zinc/64/83/58/1315648358.db2.gz ZHDGHAUAGARXEQ-KBXCAEBGSA-N 1 0 330.476 2.425 10 10 EECERO CN1CCN(c2ccc(CN3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2F)CC1 ZINC001261836611 1322184079 /nfs/dbraw/zinc/18/40/79/1322184079.db2.gz HLCXKSAVLVMUGI-BGYRXZFFSA-N 1 0 346.494 2.009 10 10 EECERO CCOCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001265508990 1323188568 /nfs/dbraw/zinc/18/85/68/1323188568.db2.gz QCEJTPAMJJEHEZ-SHTZXODSSA-N 1 0 347.419 2.126 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[C@@H](C)C2)cc1C ZINC001279848954 1324013945 /nfs/dbraw/zinc/01/39/45/1324013945.db2.gz WIVHQQZKMQSXMD-QAPCUYQASA-N 1 0 348.487 2.350 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001282205897 1325651220 /nfs/dbraw/zinc/65/12/20/1325651220.db2.gz ZMFIXSWBUALQEB-KBPBESRZSA-N 1 0 330.432 2.332 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001295225220 1329791294 /nfs/dbraw/zinc/79/12/94/1329791294.db2.gz QXASHPUIFPCSCV-ZBFHGGJFSA-N 1 0 330.428 2.116 10 10 EECERO C[C@H](CC[NH+](C)C)C(=O)NCc1cccc(Br)c1O ZINC001297441748 1329972113 /nfs/dbraw/zinc/97/21/13/1329972113.db2.gz WYXDVWWYSZPSBD-SNVBAGLBSA-N 1 0 329.238 2.359 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CCOC2)cc1C ZINC001492000069 1330391246 /nfs/dbraw/zinc/39/12/46/1330391246.db2.gz QKMLQYUQZRPFTK-WBVHZDCISA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cnn(CCF)c2)cc1C ZINC001317255785 1332154814 /nfs/dbraw/zinc/15/48/14/1332154814.db2.gz BYBKENFEVPIEAR-AWEZNQCLSA-N 1 0 348.422 2.078 10 10 EECERO C[NH+]1CCN(c2ccc(CN3CCO[C@@](C)(C(F)F)C3)cc2)CC1 ZINC001328019602 1334380063 /nfs/dbraw/zinc/38/00/63/1334380063.db2.gz PRPLTIJXEHPAIC-GOSISDBHSA-N 1 0 339.430 2.294 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cn(C)cn2)cc1C ZINC001328328771 1334445719 /nfs/dbraw/zinc/44/57/19/1334445719.db2.gz ORIZVYOQIZZYQC-AWEZNQCLSA-N 1 0 330.432 2.035 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2cnoc2)cc1C ZINC001570627037 1343093778 /nfs/dbraw/zinc/09/37/78/1343093778.db2.gz ISUCRKQGGMESME-KBPBESRZSA-N 1 0 331.416 2.217 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cncnc2)cc1C ZINC001668034420 1355852224 /nfs/dbraw/zinc/85/22/24/1355852224.db2.gz LPOIAUZFYGZKNM-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC001135924314 784803924 /nfs/dbraw/zinc/80/39/24/784803924.db2.gz NDMZAIGFUZWKCO-OAHLLOKOSA-N 1 0 332.375 2.199 10 10 EECERO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000846143632 790073792 /nfs/dbraw/zinc/07/37/92/790073792.db2.gz DEOQTMRZQHXYIV-UONOGXRCSA-N 1 0 330.432 2.454 10 10 EECERO Oc1cc2c(cc1CN1CC[NH+](CC3CCOCC3)CC1)CCC2 ZINC000172407120 791667721 /nfs/dbraw/zinc/66/77/21/791667721.db2.gz RWMNAEYPXSFYLU-UHFFFAOYSA-N 1 0 330.472 2.425 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cnn(C)c2C)cc1C ZINC001495619921 1101345676 /nfs/dbraw/zinc/34/56/76/1101345676.db2.gz GNKAPRKTLWYQLI-CYBMUJFWSA-N 1 0 344.459 2.201 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2nccc(C)n2)cc1C ZINC001497810870 1103135851 /nfs/dbraw/zinc/13/58/51/1103135851.db2.gz DVFRMFHMDTYJKW-CQSZACIVSA-N 1 0 328.416 2.010 10 10 EECERO CCc1occc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507190599 1115149391 /nfs/dbraw/zinc/14/93/91/1115149391.db2.gz WTFJLEKNVOHXMI-OAHLLOKOSA-N 1 0 346.427 2.040 10 10 EECERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000328624497 465077705 /nfs/dbraw/zinc/07/77/05/465077705.db2.gz CKKYQXJOMOPXRS-WMZOPIPTSA-N 1 0 326.444 2.422 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CCCO3)cc2F)CC1 ZINC000133953417 462988910 /nfs/dbraw/zinc/98/89/10/462988910.db2.gz WJDPXLXZQVALLS-IBGZPJMESA-N 1 0 349.450 2.153 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 ZINC000058299754 463572915 /nfs/dbraw/zinc/57/29/15/463572915.db2.gz FSLVMQDJAPGDMI-HZPDHXFCSA-N 1 0 341.459 2.112 10 10 EECERO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000084736303 463625432 /nfs/dbraw/zinc/62/54/32/463625432.db2.gz BWAFDHJIZGZBBQ-HOTGVXAUSA-N 1 0 340.489 2.153 10 10 EECERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185774991 463877463 /nfs/dbraw/zinc/87/74/63/463877463.db2.gz PBLJPJYXGKSKHN-BXUZGUMPSA-N 1 0 332.404 2.324 10 10 EECERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1O ZINC000175661157 464597424 /nfs/dbraw/zinc/59/74/24/464597424.db2.gz HEVBAGSCIOHRBF-ZDUSSCGKSA-N 1 0 332.379 2.238 10 10 EECERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000247317237 464667277 /nfs/dbraw/zinc/66/72/77/464667277.db2.gz WQCPLWYXEPNHCA-LPHOPBHVSA-N 1 0 340.471 2.441 10 10 EECERO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000252517196 464977729 /nfs/dbraw/zinc/97/77/29/464977729.db2.gz BWAFDHJIZGZBBQ-JKSUJKDBSA-N 1 0 340.489 2.153 10 10 EECERO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282882993 464986912 /nfs/dbraw/zinc/98/69/12/464986912.db2.gz CWWLOKAMASGEQG-KRWDZBQOSA-N 1 0 340.423 2.470 10 10 EECERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260576 577433803 /nfs/dbraw/zinc/43/38/03/577433803.db2.gz PLXDZIUYUWDVOZ-HNNXBMFYSA-N 1 0 333.476 2.479 10 10 EECERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OCC)cc1O ZINC000776014475 577450488 /nfs/dbraw/zinc/45/04/88/577450488.db2.gz RYFIPCBPJRPIPR-GDBMZVCRSA-N 1 0 337.416 2.333 10 10 EECERO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000766093536 577512793 /nfs/dbraw/zinc/51/27/93/577512793.db2.gz HKCLROJHJKTXKA-HOCLYGCPSA-N 1 0 331.460 2.298 10 10 EECERO CC(=O)CCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768532064 577557904 /nfs/dbraw/zinc/55/79/04/577557904.db2.gz HTCDOQVCDGANEJ-UHFFFAOYSA-N 1 0 343.471 2.204 10 10 EECERO CCOc1cccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1O ZINC000768652164 577560337 /nfs/dbraw/zinc/56/03/37/577560337.db2.gz TVKWGASHAKUTGU-UHFFFAOYSA-N 1 0 327.446 2.095 10 10 EECERO C/C=C/C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000763360181 577719823 /nfs/dbraw/zinc/71/98/23/577719823.db2.gz BASAZHWOIBCPFS-FHHGHWCOSA-N 1 0 345.487 2.426 10 10 EECERO C[C@@H](C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)CS(C)(=O)=O ZINC000757842704 577865466 /nfs/dbraw/zinc/86/54/66/577865466.db2.gz CLPIICCVDJLHIT-GOEBONIOSA-N 1 0 341.473 2.054 10 10 EECERO CN1C[C@@H](CC[NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000723541045 676582630 /nfs/dbraw/zinc/58/26/30/676582630.db2.gz YISUKZWNGWZVAC-JTQLQIEISA-N 1 0 327.222 2.113 10 10 EECERO CC1(C)COC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894980652 683450400 /nfs/dbraw/zinc/45/04/00/683450400.db2.gz VANAJFPDQQJRPK-HNNXBMFYSA-N 1 0 326.387 2.316 10 10 EECERO Cc1cc(Br)cc(C[NH2+][C@H](C)C2N=NC(=O)N2C)c1O ZINC000895174262 684203179 /nfs/dbraw/zinc/20/31/79/684203179.db2.gz DLSRFALSULMAMP-MRVPVSSYSA-N 1 0 341.209 2.148 10 10 EECERO COc1cc(C)cc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000895238125 684343274 /nfs/dbraw/zinc/34/32/74/684343274.db2.gz WLLSYMBFXDEPOX-OAHLLOKOSA-N 1 0 326.396 2.387 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)C1CCCC1)cc2=O ZINC000184621001 684404508 /nfs/dbraw/zinc/40/45/08/684404508.db2.gz WUDARVBOSNMSGV-NSHDSACASA-N 1 0 332.404 2.280 10 10 EECERO CN(C)S(=O)(=O)C1(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000895811722 684733922 /nfs/dbraw/zinc/73/39/22/684733922.db2.gz YHLOBRHRSMUHDC-UHFFFAOYSA-N 1 0 334.441 2.059 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1C ZINC001485735593 1191914950 /nfs/dbraw/zinc/91/49/50/1191914950.db2.gz IEYRVCHVJVNGTG-NWGLXNPWSA-N 1 0 346.471 2.271 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cnsn2)C2CC2)cc1C ZINC001670449735 1176797183 /nfs/dbraw/zinc/79/71/83/1176797183.db2.gz HNKBYTYDOYJZRF-AWEZNQCLSA-N 1 0 346.456 2.153 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CC(C)(C)O)C2)cc1C ZINC001272419344 1190809382 /nfs/dbraw/zinc/80/93/82/1190809382.db2.gz GXUGIXYOMJRRGY-MRXNPFEDSA-N 1 0 348.487 2.493 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cn2cncc2C)cc1C ZINC001484995924 1191607132 /nfs/dbraw/zinc/60/71/32/1191607132.db2.gz XVIQFMMMCTZAFE-HNNXBMFYSA-N 1 0 344.459 2.193 10 10 EECERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](O)C1 ZINC000865746896 1198357705 /nfs/dbraw/zinc/35/77/05/1198357705.db2.gz MBBSATIMQHTEQE-HZPDHXFCSA-N 1 0 348.443 2.081 10 10 EECERO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924728558 1206024786 /nfs/dbraw/zinc/02/47/86/1206024786.db2.gz JIXXJUYXAZVKNN-JHDROBOHSA-N 1 0 345.487 2.149 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2C[C@H](C)OC(C)(C)C2)c1 ZINC000930217696 1206542387 /nfs/dbraw/zinc/54/23/87/1206542387.db2.gz ZIRZCJLQNZSAKM-QWHCGFSZSA-N 1 0 336.432 2.077 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933674176 1207812137 /nfs/dbraw/zinc/81/21/37/1207812137.db2.gz JECRSDOLZYCWHB-ICSRJNTNSA-N 1 0 346.471 2.151 10 10 EECERO COc1cccc(C[NH2+]Cc2cn(C)nc2Br)c1O ZINC000720681524 1217428832 /nfs/dbraw/zinc/42/88/32/1217428832.db2.gz MFNCYYGQEBAXSD-UHFFFAOYSA-N 1 0 326.194 2.187 10 10 EECERO C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2F)C[C@H](C)O1 ZINC000827364946 1247954884 /nfs/dbraw/zinc/95/48/84/1247954884.db2.gz MMFVABDGMKSEBI-IJEWVQPXSA-N 1 0 349.450 2.055 10 10 EECERO CCn1ccc(CC(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001491463526 1259114455 /nfs/dbraw/zinc/11/44/55/1259114455.db2.gz ONNXPXJPRVPNCG-HNNXBMFYSA-N 1 0 344.459 2.057 10 10 EECERO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)CC1 ZINC000850436354 1277224077 /nfs/dbraw/zinc/22/40/77/1277224077.db2.gz UHCSOHDHRJYHTG-QGZVFWFLSA-N 1 0 334.485 2.344 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1O ZINC000850545674 1277264705 /nfs/dbraw/zinc/26/47/05/1277264705.db2.gz DLFSBNGQCFIMPO-WPRPVWTQSA-N 1 0 343.221 2.093 10 10 EECERO CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1 ZINC000852791285 1292200027 /nfs/dbraw/zinc/20/00/27/1292200027.db2.gz YFQCFUASRPTVHT-OAHLLOKOSA-N 1 0 341.459 2.263 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])c3ccc(C)cc3)C2)cc1 ZINC000852900864 1292227176 /nfs/dbraw/zinc/22/71/76/1292227176.db2.gz UIGWIIMQXYPZHC-APWZRJJASA-N 1 0 339.439 2.399 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000861572509 1295460581 /nfs/dbraw/zinc/46/05/81/1295460581.db2.gz ROBJPISSMNQTMN-GOEBONIOSA-N 1 0 346.475 2.104 10 10 EECERO [NH3+]CCCOCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000861691124 1295507286 /nfs/dbraw/zinc/50/72/86/1295507286.db2.gz JHIKEIIBRSOZTC-UHFFFAOYSA-N 1 0 347.415 2.062 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC(C)=C[C@@H](C)C1)cc2=O ZINC000797526537 1304765131 /nfs/dbraw/zinc/76/51/31/1304765131.db2.gz TVAIPFBPZNSSNI-LLVKDONJSA-N 1 0 330.388 2.010 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1F ZINC001118858557 1308952962 /nfs/dbraw/zinc/95/29/62/1308952962.db2.gz MDDSNXQLGCLMQF-UHFFFAOYSA-N 1 0 346.443 2.335 10 10 EECERO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCCC[NH2+]1 ZINC000841920351 1315637311 /nfs/dbraw/zinc/63/73/11/1315637311.db2.gz DXKUQYGJGJSIPJ-GFCCVEGCSA-N 1 0 342.237 2.096 10 10 EECERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841990467 1315647971 /nfs/dbraw/zinc/64/79/71/1315647971.db2.gz ZHDGHAUAGARXEQ-KSSFIOAISA-N 1 0 330.476 2.425 10 10 EECERO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@]1(C)CC[NH2+]C1 ZINC000843063263 1315832971 /nfs/dbraw/zinc/83/29/71/1315832971.db2.gz QNGLEUUIBMVDLQ-INIZCTEOSA-N 1 0 326.824 2.020 10 10 EECERO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299133 1315883884 /nfs/dbraw/zinc/88/38/84/1315883884.db2.gz SJKLLTZXXNMDPI-OAHLLOKOSA-N 1 0 329.448 2.337 10 10 EECERO COCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001284155459 1326438409 /nfs/dbraw/zinc/43/84/09/1326438409.db2.gz UMWJQWQWKKJBIP-IAGOWNOFSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]2(C)C=CCC2)cc1C ZINC001284437087 1326554840 /nfs/dbraw/zinc/55/48/40/1326554840.db2.gz WWBBMFQSPGECPY-YLJYHZDGSA-N 1 0 346.471 2.269 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2c[nH]nc2C)cc1C ZINC001319223409 1332667572 /nfs/dbraw/zinc/66/75/72/1332667572.db2.gz ZDMFCWNHIREBKM-LBPRGKRZSA-N 1 0 330.432 2.191 10 10 EECERO COc1nc(C(=O)N(C)CCC[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001322625080 1333296642 /nfs/dbraw/zinc/29/66/42/1333296642.db2.gz UJKVOXCZHRGRLL-UHFFFAOYSA-N 1 0 347.415 2.252 10 10 EECERO CC(C)[NH2+]CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCOCC1 ZINC001327683244 1334333485 /nfs/dbraw/zinc/33/34/85/1334333485.db2.gz XLSPGXXBFYCRNA-UHFFFAOYSA-N 1 0 347.419 2.126 10 10 EECERO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@](O)(C4CC4)C3)cc2F)CC1 ZINC001327960308 1334370980 /nfs/dbraw/zinc/37/09/80/1334370980.db2.gz QUOIHTNHAAEVAO-FQEVSTJZSA-N 1 0 347.478 2.314 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@]2(C)CCOC2)cc1C ZINC001331592522 1335042025 /nfs/dbraw/zinc/04/20/25/1335042025.db2.gz CJBFHDIVMOKUEA-KXBFYZLASA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001332548048 1335846884 /nfs/dbraw/zinc/84/68/84/1335846884.db2.gz WOEVLXFANHZIJC-FUHIMQAGSA-N 1 0 346.471 2.103 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@]34C[C@H]3COC43CCC3)cc2F)CC1 ZINC001354182843 1338443320 /nfs/dbraw/zinc/44/33/20/1338443320.db2.gz UVNWVONMDYPSAZ-OXJNMPFZSA-N 1 0 345.462 2.379 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2cnoc2)cc1C ZINC001570627039 1343093493 /nfs/dbraw/zinc/09/34/93/1343093493.db2.gz ISUCRKQGGMESME-UONOGXRCSA-N 1 0 331.416 2.217 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2n[nH]cc2C)cc1C ZINC001666545775 1355541933 /nfs/dbraw/zinc/54/19/33/1355541933.db2.gz FJYXTTHZYYFKRS-LBPRGKRZSA-N 1 0 330.432 2.191 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cn2nccc2C)cc1C ZINC001699538140 1405377389 /nfs/dbraw/zinc/37/73/89/1405377389.db2.gz QWEBXXBNQHXSKW-UHFFFAOYSA-N 1 0 344.459 2.147 10 10 EECERO COc1ccc(C[NH2+]Cc2c(Br)cnn2C)c(O)c1 ZINC000693432617 759814008 /nfs/dbraw/zinc/81/40/08/759814008.db2.gz WOTKQFOQWQQOJF-UHFFFAOYSA-N 1 0 326.194 2.187 10 10 EECERO O=C(NCCCSc1nccs1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000154629181 768863749 /nfs/dbraw/zinc/86/37/49/768863749.db2.gz BLUVSVDABZYKIT-ZDUSSCGKSA-N 1 0 338.502 2.281 10 10 EECERO COC(=O)CC[N@H+](Cc1cc2c(cc1O)CCC2)C1CCOCC1 ZINC000173534409 791863247 /nfs/dbraw/zinc/86/32/47/791863247.db2.gz JZHOJFKYBSINEV-UHFFFAOYSA-N 1 0 333.428 2.425 10 10 EECERO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2CCOCC23CCCC3)cc1 ZINC001176966390 798661726 /nfs/dbraw/zinc/66/17/26/798661726.db2.gz XOTLYYFERBPXGI-SFHVURJKSA-N 1 0 345.487 2.308 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001497283545 1102250482 /nfs/dbraw/zinc/25/04/82/1102250482.db2.gz BEENYWPDLVYBAM-ZDUSSCGKSA-N 1 0 330.432 2.333 10 10 EECERO CCn1nc(C)cc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001493705076 1108535641 /nfs/dbraw/zinc/53/56/41/1108535641.db2.gz DOQDQIVBEQWUFW-UHFFFAOYSA-N 1 0 344.459 2.390 10 10 EECERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001466665484 1110440428 /nfs/dbraw/zinc/44/04/28/1110440428.db2.gz KEXOHTXYHSXKNT-PBHICJAKSA-N 1 0 340.423 2.277 10 10 EECERO CCO[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001505482587 1114019438 /nfs/dbraw/zinc/01/94/38/1114019438.db2.gz LYLOJJNQEPYEIL-OOHWJJMZSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cnsn2)cc1C ZINC001505565002 1114052838 /nfs/dbraw/zinc/05/28/38/1114052838.db2.gz GUCFWOLMANUBRS-RYUDHWBXSA-N 1 0 334.445 2.152 10 10 EECERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC001522677059 1119459089 /nfs/dbraw/zinc/45/90/89/1119459089.db2.gz IOPVAKYFAIENFE-MVWJERBFSA-N 1 0 332.425 2.383 10 10 EECERO CCOc1ccc(O)c(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093148046 237046883 /nfs/dbraw/zinc/04/68/83/237046883.db2.gz HNJOODBQWJJYCY-SFHVURJKSA-N 1 0 347.503 2.393 10 10 EECERO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000174373371 464399294 /nfs/dbraw/zinc/39/92/94/464399294.db2.gz MVJJYDQGUBTPPQ-INIZCTEOSA-N 1 0 342.443 2.452 10 10 EECERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000247264687 464662099 /nfs/dbraw/zinc/66/20/99/464662099.db2.gz XTMPVTLPWGCVNL-AABGKKOBSA-N 1 0 346.471 2.292 10 10 EECERO COc1cc(O)c(C[NH2+]CC2(O)Cc3ccccc3C2)cc1OC ZINC000362040538 466506971 /nfs/dbraw/zinc/50/69/71/466506971.db2.gz PSWHQYIHUCMNKI-UHFFFAOYSA-N 1 0 329.396 2.029 10 10 EECERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OCC)ccc1O ZINC000364326261 466694213 /nfs/dbraw/zinc/69/42/13/466694213.db2.gz GASLKYRKJLQETC-HOCLYGCPSA-N 1 0 337.416 2.333 10 10 EECERO COc1c(O)c(C[N@H+]2CC=C(c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000289314772 576329160 /nfs/dbraw/zinc/32/91/60/576329160.db2.gz FCQRJDDJHVCCPS-UHFFFAOYSA-N 1 0 344.371 2.332 10 10 EECERO COc1ccc(N2CCC([NH2+][C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)CC2)cc1 ZINC000773035333 577311713 /nfs/dbraw/zinc/31/17/13/577311713.db2.gz WUMXEKPFRRXOJX-GMBSWORKSA-N 1 0 343.471 2.263 10 10 EECERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000775352236 577435775 /nfs/dbraw/zinc/43/57/75/577435775.db2.gz QMNGBKBVEJHNED-RYUDHWBXSA-N 1 0 336.388 2.077 10 10 EECERO C[C@@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000775837003 577446911 /nfs/dbraw/zinc/44/69/11/577446911.db2.gz QAFNUCLTDJDWQL-RDTXWAMCSA-N 1 0 331.460 2.041 10 10 EECERO C[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccc(N(C)C)cc1 ZINC000776240403 577455470 /nfs/dbraw/zinc/45/54/70/577455470.db2.gz VJFIIKFUFMMMBI-AWEZNQCLSA-N 1 0 327.432 2.042 10 10 EECERO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756490575 577844986 /nfs/dbraw/zinc/84/49/86/577844986.db2.gz WITZBVUVWLNUDJ-ZJUUUORDSA-N 1 0 325.210 2.486 10 10 EECERO COCC[NH+](CCOC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000747451032 577944499 /nfs/dbraw/zinc/94/44/99/577944499.db2.gz JDTOTGSFDSEWJE-UHFFFAOYSA-N 1 0 347.411 2.427 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000749564961 577978232 /nfs/dbraw/zinc/97/82/32/577978232.db2.gz ZXWNTXUKYADBGH-QZTJIDSGSA-N 1 0 345.487 2.117 10 10 EECERO COC(=O)c1c(C[NH2+]C[C@@H](O)C2CCC2)c2cc(F)ccc2n1C ZINC000894941806 683423161 /nfs/dbraw/zinc/42/31/61/683423161.db2.gz NSDLWZNIKFWGDN-MRXNPFEDSA-N 1 0 334.391 2.355 10 10 EECERO CCn1nc(C)c([C@H](C)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000924747928 693575898 /nfs/dbraw/zinc/57/58/98/693575898.db2.gz AXJLHBNIQZUANS-AWEZNQCLSA-N 1 0 329.448 2.294 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccn(C)n2)C2CC2)cc1C ZINC001670558002 1176904799 /nfs/dbraw/zinc/90/47/99/1176904799.db2.gz ZLPBILGEEFOOFM-KRWDZBQOSA-N 1 0 342.443 2.035 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001481259321 1180495885 /nfs/dbraw/zinc/49/58/85/1180495885.db2.gz KWBMQYLACDUMPO-JENIJYKNSA-N 1 0 346.471 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccn(C)c2)cc1C ZINC001482091744 1183326708 /nfs/dbraw/zinc/32/67/08/1183326708.db2.gz YKRKGLASWQFJEL-AWEZNQCLSA-N 1 0 329.444 2.498 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1F ZINC000290549265 1185713297 /nfs/dbraw/zinc/71/32/97/1185713297.db2.gz XQEUCGFLJDCPHY-GJZGRUSLSA-N 1 0 349.450 2.213 10 10 EECERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000825893211 1199730183 /nfs/dbraw/zinc/73/01/83/1199730183.db2.gz SBLWMYBOYKOLEZ-KPXOXKRLSA-N 1 0 328.206 2.442 10 10 EECERO C[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000826030389 1200330927 /nfs/dbraw/zinc/33/09/27/1200330927.db2.gz YKPICOBSYQWWEU-HIFRSBDPSA-N 1 0 341.249 2.060 10 10 EECERO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1O ZINC000868275586 1201781270 /nfs/dbraw/zinc/78/12/70/1201781270.db2.gz SJLREGDNMPNQRO-GJZGRUSLSA-N 1 0 347.459 2.253 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@H](C)CO2)cc1C ZINC001276144027 1205796397 /nfs/dbraw/zinc/79/63/97/1205796397.db2.gz HPVIVIKRGNZWQA-KBXCAEBGSA-N 1 0 334.460 2.367 10 10 EECERO C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925845243 1206159562 /nfs/dbraw/zinc/15/95/62/1206159562.db2.gz OPKWNJPXBXFXPQ-CQSZACIVSA-N 1 0 336.436 2.027 10 10 EECERO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnnc1 ZINC000926561040 1206227555 /nfs/dbraw/zinc/22/75/55/1206227555.db2.gz XJGHMEPZCOSFCT-LBPRGKRZSA-N 1 0 334.370 2.442 10 10 EECERO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000926611355 1206230984 /nfs/dbraw/zinc/23/09/84/1206230984.db2.gz LAKWYSBWAZCWJZ-QFBILLFUSA-N 1 0 346.471 2.449 10 10 EECERO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000931566582 1207414580 /nfs/dbraw/zinc/41/45/80/1207414580.db2.gz ZRMNDEPYOCEUMD-UHFFFAOYSA-N 1 0 334.460 2.151 10 10 EECERO CCOC(=O)c1cnc(N2CC[NH+](Cc3ccccc3O)CC2)s1 ZINC000779022869 1208447091 /nfs/dbraw/zinc/44/70/91/1208447091.db2.gz JQJBDICHJWXJTO-UHFFFAOYSA-N 1 0 347.440 2.348 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000850116597 1277044010 /nfs/dbraw/zinc/04/40/10/1277044010.db2.gz PDDBYLUHPRFLDC-MORSLUCNSA-N 1 0 332.444 2.451 10 10 EECERO CC(=O)NCc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000850341700 1277186127 /nfs/dbraw/zinc/18/61/27/1277186127.db2.gz DJWLVFLITGIDMN-UHFFFAOYSA-N 1 0 328.368 2.047 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000850562877 1277265581 /nfs/dbraw/zinc/26/55/81/1277265581.db2.gz PTAARFCCXDHXML-ZIAGYGMSSA-N 1 0 333.432 2.342 10 10 EECERO O=C(C=C1CC[NH2+]CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000852882346 1292224433 /nfs/dbraw/zinc/22/44/33/1292224433.db2.gz DTHSMAPVSGHPST-KRWDZBQOSA-N 1 0 330.428 2.210 10 10 EECERO CN(C)c1ccc(CNC(=O)C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1 ZINC000859616977 1294549389 /nfs/dbraw/zinc/54/93/89/1294549389.db2.gz UQRWOTSYSYYUSC-HXUWFJFHSA-N 1 0 347.503 2.290 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cncnc2)cc1C ZINC001277171827 1301639626 /nfs/dbraw/zinc/63/96/26/1301639626.db2.gz RAGYGGYSVFKRPG-HNNXBMFYSA-N 1 0 342.443 2.482 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000840481378 1315369119 /nfs/dbraw/zinc/36/91/19/1315369119.db2.gz DCSPQFGDXDIYEN-INIZCTEOSA-N 1 0 344.503 2.482 10 10 EECERO CN(C)C(=O)C1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000840958274 1315445924 /nfs/dbraw/zinc/44/59/24/1315445924.db2.gz OSNVCNTWHVWXHX-UHFFFAOYSA-N 1 0 346.431 2.296 10 10 EECERO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000841017514 1315455597 /nfs/dbraw/zinc/45/55/97/1315455597.db2.gz FGTDNBAPMCXKJM-UHFFFAOYSA-N 1 0 341.411 2.099 10 10 EECERO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841087728 1315471618 /nfs/dbraw/zinc/47/16/18/1315471618.db2.gz RTLFIVAINJVCSU-UHFFFAOYSA-N 1 0 341.858 2.491 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000841823887 1315618844 /nfs/dbraw/zinc/61/88/44/1315618844.db2.gz JDNSRVYVPVBHMA-CALCHBBNSA-N 1 0 330.476 2.202 10 10 EECERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841990468 1315648397 /nfs/dbraw/zinc/64/83/97/1315648397.db2.gz ZHDGHAUAGARXEQ-RDTXWAMCSA-N 1 0 330.476 2.425 10 10 EECERO COc1cc(O)c(CN(CC[NH3+])CCc2ccccc2)cc1OC ZINC000843121347 1315847981 /nfs/dbraw/zinc/84/79/81/1315847981.db2.gz FFLQYOSFWFSHBN-UHFFFAOYSA-N 1 0 330.428 2.413 10 10 EECERO O=C(NCc1c(O)cccc1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001304049632 1331375081 /nfs/dbraw/zinc/37/50/81/1331375081.db2.gz AYHDLAQRRINCDE-MRXNPFEDSA-N 1 0 326.396 2.379 10 10 EECERO COCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001331944857 1335684144 /nfs/dbraw/zinc/68/41/44/1335684144.db2.gz VVIDAOVCCWPUFV-IUODEOHRSA-N 1 0 347.419 2.078 10 10 EECERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001647836623 1353404113 /nfs/dbraw/zinc/40/41/13/1353404113.db2.gz NCXSIDRDRLIQLV-KBPBESRZSA-N 1 0 329.404 2.452 10 10 EECERO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC001654996696 1354163153 /nfs/dbraw/zinc/16/31/53/1354163153.db2.gz ILKHKRJZFYIMHW-CQSZACIVSA-N 1 0 349.450 2.057 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000817292771 784634827 /nfs/dbraw/zinc/63/48/27/784634827.db2.gz WGNPQSXXRJXLCU-SFHVURJKSA-N 1 0 345.487 2.090 10 10 EECERO CCCN(CCC)c1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000824893751 788355075 /nfs/dbraw/zinc/35/50/75/788355075.db2.gz ZNZSRDMYSWVQHP-CALCHBBNSA-N 1 0 329.444 2.017 10 10 EECERO COc1ccc(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(O)c1 ZINC000792920450 810070920 /nfs/dbraw/zinc/07/09/20/810070920.db2.gz WYIUQMLWKVFMLE-KBPBESRZSA-N 1 0 335.448 2.463 10 10 EECERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000793042634 810112543 /nfs/dbraw/zinc/11/25/43/810112543.db2.gz HKBFUHZWNCOIRU-ZHALLVOQSA-N 1 0 345.487 2.436 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ncccc1O ZINC001497374558 1102401283 /nfs/dbraw/zinc/40/12/83/1102401283.db2.gz KNHYHXHYQZFUNN-UHFFFAOYSA-N 1 0 343.427 2.356 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)/C=C(\C)C2CC2)cc1C ZINC001507467881 1115284085 /nfs/dbraw/zinc/28/40/85/1115284085.db2.gz OPKCBCGDIAAPKC-PMXLPMHFSA-N 1 0 346.471 2.269 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@]2(C)CCOC2)C2CC2)cc1C ZINC001569324442 1125230223 /nfs/dbraw/zinc/23/02/23/1125230223.db2.gz STOGBGUBBYVCFA-FXAWDEMLSA-N 1 0 346.471 2.415 10 10 EECERO O=C(CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)NC1CCCC1 ZINC000066989071 462956258 /nfs/dbraw/zinc/95/62/58/462956258.db2.gz YWEMAQMFENOSER-UHFFFAOYSA-N 1 0 349.450 2.201 10 10 EECERO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)ccc1O ZINC000050394443 462998276 /nfs/dbraw/zinc/99/82/76/462998276.db2.gz OGPRAQQJZBOROI-RYUDHWBXSA-N 1 0 327.222 2.474 10 10 EECERO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000278819202 463994728 /nfs/dbraw/zinc/99/47/28/463994728.db2.gz ZEMLFQQHMYGZQJ-CJNGLKHVSA-N 1 0 343.851 2.200 10 10 EECERO COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000284899989 464384638 /nfs/dbraw/zinc/38/46/38/464384638.db2.gz FRKOCBBHHUEEAB-GXTWGEPZSA-N 1 0 331.840 2.302 10 10 EECERO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000273314753 464711083 /nfs/dbraw/zinc/71/10/83/464711083.db2.gz XPUQLHOAQRSTIW-UHFFFAOYSA-N 1 0 345.487 2.214 10 10 EECERO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1O ZINC000368213512 466588852 /nfs/dbraw/zinc/58/88/52/466588852.db2.gz URLXBABRIYHWJE-XHDPSFHLSA-N 1 0 338.835 2.476 10 10 EECERO CCNC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000373137629 466705122 /nfs/dbraw/zinc/70/51/22/466705122.db2.gz GETBVFSSACSCLO-MRXNPFEDSA-N 1 0 346.475 2.057 10 10 EECERO COC(=O)/C=C/c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364738859 466714319 /nfs/dbraw/zinc/71/43/19/466714319.db2.gz JULXBTZLFAZPEY-VFADXPBXSA-N 1 0 345.399 2.456 10 10 EECERO Cn1c(CC[NH2+]Cc2cc3c(cc2O)OCO3)nc2c1cccc2F ZINC000113358904 534685298 /nfs/dbraw/zinc/68/52/98/534685298.db2.gz NVIKRWDEQRLPLQ-UHFFFAOYSA-N 1 0 343.358 2.479 10 10 EECERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000776224373 577454962 /nfs/dbraw/zinc/45/49/62/577454962.db2.gz SVGICXJGDDLBKR-XHDPSFHLSA-N 1 0 348.834 2.371 10 10 EECERO Oc1cc2c(cc1C[NH+]1CCC(C3CCOCC3)CC1)[C@@H](O)CO2 ZINC000768462878 577556341 /nfs/dbraw/zinc/55/63/41/577556341.db2.gz OOULBLBGVJCDFX-SFHVURJKSA-N 1 0 333.428 2.457 10 10 EECERO CC[C@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912404 577565569 /nfs/dbraw/zinc/56/55/69/577565569.db2.gz YCAQPZVHNHLLEK-IBGZPJMESA-N 1 0 345.487 2.260 10 10 EECERO CC(C)[C@H](C(=O)NCc1cc(Br)ccc1O)[NH+](C)C ZINC000804738589 675611619 /nfs/dbraw/zinc/61/16/19/675611619.db2.gz WAKZWNKFDSMUML-CYBMUJFWSA-N 1 0 329.238 2.357 10 10 EECERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000933168228 676496383 /nfs/dbraw/zinc/49/63/83/676496383.db2.gz ZBEUMGZXUVEKPS-NVXWUHKLSA-N 1 0 332.444 2.297 10 10 EECERO COC(=O)c1c(C[NH2+][C@H](C)C2(CO)CC2)c2cc(F)ccc2n1C ZINC000895255040 684394218 /nfs/dbraw/zinc/39/42/18/684394218.db2.gz YYCNEGVJGLVXHK-LLVKDONJSA-N 1 0 334.391 2.355 10 10 EECERO OC1CCN(c2ccc(C[NH+]3CCC4(CC3)COCCO4)cc2)CC1 ZINC000895701243 684688740 /nfs/dbraw/zinc/68/87/40/684688740.db2.gz XWMKODIRBVYVNV-UHFFFAOYSA-N 1 0 346.471 2.029 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@](C)(O)C3CC3)C2)cc1C ZINC001266679043 1177178687 /nfs/dbraw/zinc/17/86/87/1177178687.db2.gz XBQWCNOZVVMAHL-QKLQHJQFSA-N 1 0 346.471 2.292 10 10 EECERO CC[C@H](CNC(=O)c1cncnc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267799303 1180546554 /nfs/dbraw/zinc/54/65/54/1180546554.db2.gz KNMTZQRZLCQHSI-MRXNPFEDSA-N 1 0 328.416 2.092 10 10 EECERO C[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268717806 1183638220 /nfs/dbraw/zinc/63/82/20/1183638220.db2.gz JIWTUHYNNFVHFM-WFASDCNBSA-N 1 0 347.419 2.126 10 10 EECERO COc1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001485864205 1193620648 /nfs/dbraw/zinc/62/06/48/1193620648.db2.gz CEXVLCJAWVIQBZ-ZDUSSCGKSA-N 1 0 347.415 2.251 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccnn2C)C2CC2)cc1C ZINC001483549463 1190542800 /nfs/dbraw/zinc/54/28/00/1190542800.db2.gz MHBCKRGAMBQMFJ-MRXNPFEDSA-N 1 0 342.443 2.035 10 10 EECERO COc1cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001485139914 1191670035 /nfs/dbraw/zinc/67/00/35/1191670035.db2.gz NCZZCHIFOZEYFD-CHWSQXEVSA-N 1 0 347.415 2.297 10 10 EECERO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000865737700 1198352644 /nfs/dbraw/zinc/35/26/44/1198352644.db2.gz CCRNOUOWKKQCGG-YWZLYKJASA-N 1 0 326.440 2.081 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000865937719 1198430686 /nfs/dbraw/zinc/43/06/86/1198430686.db2.gz YOYIVPPKVWISHC-FNORWQNLSA-N 1 0 331.372 2.065 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000865937718 1198430716 /nfs/dbraw/zinc/43/07/16/1198430716.db2.gz YOYIVPPKVWISHC-ALCCZGGFSA-N 1 0 331.372 2.065 10 10 EECERO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810256675 1199406124 /nfs/dbraw/zinc/40/61/24/1199406124.db2.gz DTCVLVKKXZBZGO-HOCLYGCPSA-N 1 0 340.439 2.364 10 10 EECERO CCn1cnc(C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001274511225 1205063633 /nfs/dbraw/zinc/06/36/33/1205063633.db2.gz OPQRGHGUULOAIO-AATRIKPKSA-N 1 0 342.443 2.296 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ncccc2OC)cc1C ZINC001275002086 1205231875 /nfs/dbraw/zinc/23/18/75/1205231875.db2.gz WHVPNOWEWLXQGR-CQSZACIVSA-N 1 0 343.427 2.315 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CCC2(COC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000930211007 1206541792 /nfs/dbraw/zinc/54/17/92/1206541792.db2.gz ROIKYPYSAMVENH-YJBOKZPZSA-N 1 0 332.444 2.122 10 10 EECERO COc1ccc2c(c1)CCCN2Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903901914 1242407640 /nfs/dbraw/zinc/40/76/40/1242407640.db2.gz AUHVCYSRBRVQRO-OAHLLOKOSA-N 1 0 327.432 2.164 10 10 EECERO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@](C)(O)C(C)=O ZINC000827945365 1252448647 /nfs/dbraw/zinc/44/86/47/1252448647.db2.gz SZIQHBGXZNODSS-CQSZACIVSA-N 1 0 330.222 2.317 10 10 EECERO CCOc1cccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1O ZINC000850348240 1277191891 /nfs/dbraw/zinc/19/18/91/1277191891.db2.gz IAVYMBDBCBRYPP-OAQYLSRUSA-N 1 0 325.352 2.192 10 10 EECERO COc1cccc([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1O ZINC000850562874 1277265783 /nfs/dbraw/zinc/26/57/83/1277265783.db2.gz PTAARFCCXDHXML-KGLIPLIRSA-N 1 0 333.432 2.342 10 10 EECERO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000851717768 1277725546 /nfs/dbraw/zinc/72/55/46/1277725546.db2.gz ONOKZYUPAJGAIM-MRXNPFEDSA-N 1 0 326.387 2.379 10 10 EECERO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCO[C@H]2c2nc(C)no2)c1O ZINC001196657224 1284188974 /nfs/dbraw/zinc/18/89/74/1284188974.db2.gz HRSYLBGZOHBMHO-DZGCQCFKSA-N 1 0 335.335 2.045 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)cc1 ZINC000852899628 1292227389 /nfs/dbraw/zinc/22/73/89/1292227389.db2.gz AXKATQYQHZLBTF-SAKMYQHLSA-N 1 0 343.471 2.311 10 10 EECERO CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000853775738 1292447036 /nfs/dbraw/zinc/44/70/36/1292447036.db2.gz AJAABXOCGSNUEL-GOSISDBHSA-N 1 0 328.460 2.298 10 10 EECERO CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000858494856 1294133467 /nfs/dbraw/zinc/13/34/67/1294133467.db2.gz PLGZORATPNIVRU-HLUHBDAQSA-N 1 0 327.222 2.459 10 10 EECERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COCCN2C)c1O ZINC000858523392 1294143176 /nfs/dbraw/zinc/14/31/76/1294143176.db2.gz QWGHVNOZUDMBMO-WCQYABFASA-N 1 0 343.265 2.444 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000861591061 1295467974 /nfs/dbraw/zinc/46/79/74/1295467974.db2.gz YXKCURGCTMQVHQ-KRWDZBQOSA-N 1 0 326.444 2.147 10 10 EECERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118806246 1308944006 /nfs/dbraw/zinc/94/40/06/1308944006.db2.gz RIMBLDIGUCSEOS-XTDOFWJNSA-N 1 0 335.467 2.479 10 10 EECERO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(Cl)c1 ZINC000840942758 1315442004 /nfs/dbraw/zinc/44/20/04/1315442004.db2.gz CNPPKZMJUINHDP-BXUZGUMPSA-N 1 0 346.880 2.162 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2CC(OC)C2)cc1C ZINC001317398213 1332213738 /nfs/dbraw/zinc/21/37/38/1332213738.db2.gz PUOXBLWENWQEPD-ODIFPOPNSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCOC[C@@H]2C)cc1C ZINC001321235753 1333051267 /nfs/dbraw/zinc/05/12/67/1333051267.db2.gz LLQRMOQWUVKECK-HRMTXBTBSA-N 1 0 346.471 2.438 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2[nH]c(C)nc2C)cc1C ZINC001321249877 1333055227 /nfs/dbraw/zinc/05/52/27/1333055227.db2.gz CTZKCYYCSGTMBY-WAYWQWQTSA-N 1 0 342.443 2.419 10 10 EECERO CN1CCN(c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC001326222694 1334046651 /nfs/dbraw/zinc/04/66/51/1334046651.db2.gz QIOPZOWHLGOEST-JWTNVVGKSA-N 1 0 346.494 2.292 10 10 EECERO C[C@@H](O)CCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001331647639 1335051261 /nfs/dbraw/zinc/05/12/61/1335051261.db2.gz NGWWYOWCQPPMAX-CHWSQXEVSA-N 1 0 349.435 2.060 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+]CCCOCCO)c1O ZINC000848543505 1338718347 /nfs/dbraw/zinc/71/83/47/1338718347.db2.gz GNQRKEOQBUMLIY-JTQLQIEISA-N 1 0 348.237 2.213 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ncccc2OC)cc1C ZINC001567073493 1342691264 /nfs/dbraw/zinc/69/12/64/1342691264.db2.gz WTHPJHXAPYWJSB-CQSZACIVSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2cncc(C)c2)cc1C ZINC001664097372 1355091991 /nfs/dbraw/zinc/09/19/91/1355091991.db2.gz FKGYKGDCWFXKPD-UHFFFAOYSA-N 1 0 341.455 2.498 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccnc(C)n2)cc1C ZINC001668315369 1355922245 /nfs/dbraw/zinc/92/22/45/1355922245.db2.gz PBSTYCZVVWCEQC-CQSZACIVSA-N 1 0 342.443 2.400 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000067976032 774076211 /nfs/dbraw/zinc/07/62/11/774076211.db2.gz AJZUKKPAXNUKCO-INIZCTEOSA-N 1 0 344.411 2.011 10 10 EECERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)[C@H]1n1cccn1 ZINC000816672829 784184246 /nfs/dbraw/zinc/18/42/46/784184246.db2.gz LKZYHZFAKBTPDT-MORSLUCNSA-N 1 0 347.415 2.114 10 10 EECERO Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000846103044 790062658 /nfs/dbraw/zinc/06/26/58/790062658.db2.gz KTMRAFVLKHXNGE-FHGNATFXSA-N 1 0 330.247 2.168 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C1(C)CCCC1)cc2=O ZINC000786219795 806727140 /nfs/dbraw/zinc/72/71/40/806727140.db2.gz WDQHMMDVPRAJJU-UHFFFAOYSA-N 1 0 332.404 2.376 10 10 EECERO COc1cccc(O)c1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000789767726 808171664 /nfs/dbraw/zinc/17/16/64/808171664.db2.gz CXCGJAJDWOQWPF-UHFFFAOYSA-N 1 0 328.416 2.292 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cn(C)nc2C)cc1C ZINC001497151869 1102036352 /nfs/dbraw/zinc/03/63/52/1102036352.db2.gz HJHWZJYQCIDFHI-AWEZNQCLSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2CC(OC)C2)cc1C ZINC001568866982 1124892313 /nfs/dbraw/zinc/89/23/13/1124892313.db2.gz JVUZFUKDRQMFCM-PLNGDYQASA-N 1 0 332.444 2.191 10 10 EECERO c1ncn(C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000128487237 462643759 /nfs/dbraw/zinc/64/37/59/462643759.db2.gz FBTYPYXRXLWOMM-SFHVURJKSA-N 1 0 341.459 2.027 10 10 EECERO C[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000156917426 463081986 /nfs/dbraw/zinc/08/19/86/463081986.db2.gz NDSZLLJDJKBHTB-MCFURUIZSA-N 1 0 343.471 2.122 10 10 EECERO COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000271773325 464380454 /nfs/dbraw/zinc/38/04/54/464380454.db2.gz BYQNKJGOTUPMEC-CQSZACIVSA-N 1 0 332.238 2.340 10 10 EECERO COc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191762707 464826415 /nfs/dbraw/zinc/82/64/15/464826415.db2.gz CQSKLIWITHEBIR-INIZCTEOSA-N 1 0 344.386 2.431 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302784913 466186429 /nfs/dbraw/zinc/18/64/29/466186429.db2.gz UZFFRHHHAZAHPM-HWKANZROSA-N 1 0 331.372 2.065 10 10 EECERO COc1ccc(N2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000374793513 466745502 /nfs/dbraw/zinc/74/55/02/466745502.db2.gz LDRWYKZVPARVMB-QGZVFWFLSA-N 1 0 331.460 2.311 10 10 EECERO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000377722517 467126300 /nfs/dbraw/zinc/12/63/00/467126300.db2.gz VSVJILBVKKVQQX-UHFFFAOYSA-N 1 0 348.428 2.103 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc[nH]n2)C1 ZINC000574713873 469278882 /nfs/dbraw/zinc/27/88/82/469278882.db2.gz PJURNMKYUDTXBJ-UHFFFAOYSA-N 1 0 338.415 2.165 10 10 EECERO CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732456329 577181219 /nfs/dbraw/zinc/18/12/19/577181219.db2.gz HDIWNYNYTFHLED-SFHVURJKSA-N 1 0 342.487 2.447 10 10 EECERO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732796996 577192614 /nfs/dbraw/zinc/19/26/14/577192614.db2.gz CZKOAFJFZAEMKB-CQSZACIVSA-N 1 0 342.361 2.476 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734687466 577318439 /nfs/dbraw/zinc/31/84/39/577318439.db2.gz CQUBLMFPFXNQGK-SFHVURJKSA-N 1 0 330.476 2.439 10 10 EECERO Oc1cc2c(cc1C[NH+]1CCC(C3CCOCC3)CC1)[C@H](O)CO2 ZINC000768462877 577556263 /nfs/dbraw/zinc/55/62/63/577556263.db2.gz OOULBLBGVJCDFX-GOSISDBHSA-N 1 0 333.428 2.457 10 10 EECERO CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cc(Br)ccc1O ZINC000050394442 676351143 /nfs/dbraw/zinc/35/11/43/676351143.db2.gz OGPRAQQJZBOROI-VXGBXAGGSA-N 1 0 327.222 2.474 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)cc1 ZINC000899939769 693932185 /nfs/dbraw/zinc/93/21/85/693932185.db2.gz BEOJDGGJJQJXLE-PKOBYXMFSA-N 1 0 343.471 2.361 10 10 EECERO CC[C@@H](CNC(=O)c1ccncn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481861957 1182830604 /nfs/dbraw/zinc/83/06/04/1182830604.db2.gz KNNSFINPDRAVDM-HNNXBMFYSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@]2(C)CC=CCC2)cc1C ZINC001272425269 1190813053 /nfs/dbraw/zinc/81/30/53/1190813053.db2.gz KMHRUCISMZIMCR-FXAWDEMLSA-N 1 0 346.471 2.317 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2ccnc2C)cc1C ZINC001485223778 1191702812 /nfs/dbraw/zinc/70/28/12/1191702812.db2.gz BORGLJOZBIASRS-CABCVRRESA-N 1 0 344.459 2.192 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000881853348 1201775248 /nfs/dbraw/zinc/77/52/48/1201775248.db2.gz SEGKJBUGYPMQOQ-KZNAEPCWSA-N 1 0 327.472 2.491 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cnn(C)c2)cc1C ZINC001275349427 1205317546 /nfs/dbraw/zinc/31/75/46/1205317546.db2.gz UXMQBRRMNICPGE-UONOGXRCSA-N 1 0 330.432 2.034 10 10 EECERO OCC1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000925502998 1206120395 /nfs/dbraw/zinc/12/03/95/1206120395.db2.gz MNMOWJXVXRAVPT-LJQANCHMSA-N 1 0 329.488 2.270 10 10 EECERO CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1[O-] ZINC000925850742 1206160490 /nfs/dbraw/zinc/16/04/90/1206160490.db2.gz PTJZUPCPCBELIY-UKRRQHHQSA-N 1 0 336.407 2.257 10 10 EECERO C[NH+](C)CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccnc1 ZINC000928835164 1206426090 /nfs/dbraw/zinc/42/60/90/1206426090.db2.gz XULMUERMCHZEEE-IQIBNGDESA-N 1 0 341.411 2.315 10 10 EECERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000159504355 1208468488 /nfs/dbraw/zinc/46/84/88/1208468488.db2.gz QRYRCBPVDIIZDX-ZJUUUORDSA-N 1 0 327.222 2.241 10 10 EECERO CN(C(=O)/C=C\c1cncc(O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000779664933 1210736886 /nfs/dbraw/zinc/73/68/86/1210736886.db2.gz MIEXQUSWANHRGW-WTKPLQERSA-N 1 0 341.411 2.404 10 10 EECERO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000903982854 1242856917 /nfs/dbraw/zinc/85/69/17/1242856917.db2.gz XNDHWLHEOQBEGT-HZPDHXFCSA-N 1 0 343.393 2.235 10 10 EECERO C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2F)C[C@@H](C)O1 ZINC000827364945 1247955894 /nfs/dbraw/zinc/95/58/94/1247955894.db2.gz MMFVABDGMKSEBI-IIAWOOMASA-N 1 0 349.450 2.055 10 10 EECERO CO[C@@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000826951659 1248210833 /nfs/dbraw/zinc/21/08/33/1248210833.db2.gz AFLMZJCBHYUWIY-AWEZNQCLSA-N 1 0 330.222 2.128 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1O ZINC000850545671 1277264971 /nfs/dbraw/zinc/26/49/71/1277264971.db2.gz DLFSBNGQCFIMPO-SCZZXKLOSA-N 1 0 343.221 2.093 10 10 EECERO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851662913 1277707283 /nfs/dbraw/zinc/70/72/83/1277707283.db2.gz NNBCYZBECGUMGL-LSDHHAIUSA-N 1 0 334.464 2.091 10 10 EECERO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000856594604 1293576699 /nfs/dbraw/zinc/57/66/99/1293576699.db2.gz WETLWDYEUNDQCX-LJQANCHMSA-N 1 0 344.459 2.268 10 10 EECERO O=C1O[C@@H](C[NH2+]Cc2c(O)cccc2Br)CN1C1CC1 ZINC000858185408 1294036893 /nfs/dbraw/zinc/03/68/93/1294036893.db2.gz DBIZACGZHNZABH-JTQLQIEISA-N 1 0 341.205 2.228 10 10 EECERO CC[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(C)cc1O ZINC000858465379 1294124655 /nfs/dbraw/zinc/12/46/55/1294124655.db2.gz FBRHPPFAUZTREJ-YLJYHZDGSA-N 1 0 348.487 2.357 10 10 EECERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Br)cc1O ZINC000858522215 1294142437 /nfs/dbraw/zinc/14/24/37/1294142437.db2.gz BPCSFMVMJYNTLJ-CMPLNLGQSA-N 1 0 329.238 2.136 10 10 EECERO C[C@H]([NH2+]CCOC1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000859229773 1294355701 /nfs/dbraw/zinc/35/57/01/1294355701.db2.gz MAYYSDRZHPQVIK-INIZCTEOSA-N 1 0 334.460 2.369 10 10 EECERO C[C@@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C[NH2+]1 ZINC000861689745 1295507176 /nfs/dbraw/zinc/50/71/76/1295507176.db2.gz IOHYPLLLYFDKRN-BXKDBHETSA-N 1 0 342.237 2.094 10 10 EECERO C[NH+]1C[C@@]2(C)CN(Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 ZINC000931315836 1297134118 /nfs/dbraw/zinc/13/41/18/1297134118.db2.gz BZHYAFVIIOOUTC-PMACEKPBSA-N 1 0 329.488 2.297 10 10 EECERO Cc1nnc(CN2CCN(Cc3ccc(N4CCCC4)cc3)CC2)[nH]1 ZINC001119497038 1309089363 /nfs/dbraw/zinc/08/93/63/1309089363.db2.gz XMBNVWTZAXFLBN-UHFFFAOYSA-N 1 0 340.475 2.031 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c(Cl)c1 ZINC000840937758 1315441211 /nfs/dbraw/zinc/44/12/11/1315441211.db2.gz XHUVAJILHFSXDH-LBPRGKRZSA-N 1 0 327.808 2.366 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1F ZINC000841797936 1315614767 /nfs/dbraw/zinc/61/47/67/1315614767.db2.gz CXWVJHRSZRCDIQ-XJKSGUPXSA-N 1 0 336.455 2.469 10 10 EECERO CN1CCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@@]4(C)C3)cc2F)CC1 ZINC001261688883 1322154817 /nfs/dbraw/zinc/15/48/17/1322154817.db2.gz YIDCZJYWHJLRQL-QFBILLFUSA-N 1 0 333.451 2.046 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2nccc2C)cc1C ZINC001282194020 1325647813 /nfs/dbraw/zinc/64/78/13/1325647813.db2.gz UJCBIITXNCSKEN-CVEARBPZSA-N 1 0 344.459 2.192 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccnn2C)cc1C ZINC001317390671 1332211398 /nfs/dbraw/zinc/21/13/98/1332211398.db2.gz VENBQPATPAVZGL-CQSZACIVSA-N 1 0 330.432 2.035 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccnc(C)n2)cc1C ZINC001329191802 1334603441 /nfs/dbraw/zinc/60/34/41/1334603441.db2.gz FXKFOUQXGXLQRZ-ZIAGYGMSSA-N 1 0 342.443 2.399 10 10 EECERO OC[C@H](C[NH2+]Cc1c(O)cccc1Br)c1cccnc1 ZINC001331509938 1335025484 /nfs/dbraw/zinc/02/54/84/1335025484.db2.gz AIVMECFRCDAENL-LBPRGKRZSA-N 1 0 337.217 2.415 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@]2(F)CCOC2)cc1C ZINC001670218850 1356298684 /nfs/dbraw/zinc/29/86/84/1356298684.db2.gz QWOGJGQAENONAS-SFHVURJKSA-N 1 0 338.423 2.070 10 10 EECERO COCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001569526411 1342892707 /nfs/dbraw/zinc/89/27/07/1342892707.db2.gz GAQWSBBPJNVONB-WFASDCNBSA-N 1 0 347.419 2.078 10 10 EECERO CCN(C)c1ccc(C[NH+]2CCC(O)(c3ccnn3C)CC2)cc1 ZINC001648212503 1353420494 /nfs/dbraw/zinc/42/04/94/1353420494.db2.gz RDOCBURBBIDEGV-UHFFFAOYSA-N 1 0 328.460 2.360 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001655904809 1354189568 /nfs/dbraw/zinc/18/95/68/1354189568.db2.gz COEMYJZHFZJLDQ-IBGZPJMESA-N 1 0 331.460 2.014 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cn2cc(C)cn2)cc1C ZINC001666519424 1355538292 /nfs/dbraw/zinc/53/82/92/1355538292.db2.gz GPDHIZVGKMIDTE-CQSZACIVSA-N 1 0 344.459 2.051 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H](C)n2cccn2)cc1C ZINC001668721102 1355992487 /nfs/dbraw/zinc/99/24/87/1355992487.db2.gz UJQWKKWUXKQHGK-AWFCHZOYSA-N 1 0 342.443 2.223 10 10 EECERO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000919657380 770159985 /nfs/dbraw/zinc/15/99/85/770159985.db2.gz JPHJLPOYKUQOEU-DLBZAZTESA-N 1 0 347.459 2.177 10 10 EECERO CCN1C[C@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)OC1=O ZINC000846824065 790599054 /nfs/dbraw/zinc/59/90/54/790599054.db2.gz GSWCWPNJMFYXCI-HOTGVXAUSA-N 1 0 334.416 2.214 10 10 EECERO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000817978399 785126577 /nfs/dbraw/zinc/12/65/77/785126577.db2.gz AGLCWQRPIDKAST-WBMJQRKESA-N 1 0 343.393 2.310 10 10 EECERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000818362126 785256134 /nfs/dbraw/zinc/25/61/34/785256134.db2.gz PPPUPAFZVRDUHA-YOEHRIQHSA-N 1 0 329.444 2.475 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000922525507 801243371 /nfs/dbraw/zinc/24/33/71/801243371.db2.gz RKUAUZGAIUTVIA-RTBURBONSA-N 1 0 347.528 2.193 10 10 EECERO CC(C)[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805075723 811144629 /nfs/dbraw/zinc/14/46/29/811144629.db2.gz CQAPXWFBBPTJBQ-UHFFFAOYSA-N 1 0 344.253 2.294 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001497034358 1101867337 /nfs/dbraw/zinc/86/73/37/1101867337.db2.gz WCFXNSJVYGBQQG-IRXDYDNUSA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001569007702 1125037001 /nfs/dbraw/zinc/03/70/01/1125037001.db2.gz LWVJVBHYHKJPRF-QSOKESPWSA-N 1 0 346.471 2.413 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccnnc2C)cc1C ZINC001569219703 1125174364 /nfs/dbraw/zinc/17/43/64/1125174364.db2.gz HPQPBLQNYUVRNQ-UHFFFAOYSA-N 1 0 342.443 2.354 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccnnc2)cc1C ZINC001569242677 1125189501 /nfs/dbraw/zinc/18/95/01/1125189501.db2.gz JDDKDNKAVZDKHN-UHFFFAOYSA-N 1 0 328.416 2.046 10 10 EECERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000185993134 463919426 /nfs/dbraw/zinc/91/94/26/463919426.db2.gz VTQLLVYGECSLHJ-GXSJLCMTSA-N 1 0 337.221 2.412 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000172125238 463994261 /nfs/dbraw/zinc/99/42/61/463994261.db2.gz NHRVGXIAZYBBPG-GOSISDBHSA-N 1 0 348.491 2.005 10 10 EECERO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000279236170 464073442 /nfs/dbraw/zinc/07/34/42/464073442.db2.gz QYAHDZOVSDURBY-WMZOPIPTSA-N 1 0 345.487 2.212 10 10 EECERO CN(C)C(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000179684733 464173173 /nfs/dbraw/zinc/17/31/73/464173173.db2.gz JKIYLXXWILAARH-UHFFFAOYSA-N 1 0 341.249 2.455 10 10 EECERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929711 464174165 /nfs/dbraw/zinc/17/41/65/464174165.db2.gz SPWKQZDNDWRXGT-UZLBHIALSA-N 1 0 347.503 2.194 10 10 EECERO COc1ccc(O)c(C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000180084071 464238652 /nfs/dbraw/zinc/23/86/52/464238652.db2.gz QNXCFOOHNFIMNH-HXUWFJFHSA-N 1 0 342.439 2.252 10 10 EECERO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1O ZINC000271716059 464370140 /nfs/dbraw/zinc/37/01/40/464370140.db2.gz IOHHSQFIRPQFHW-UHFFFAOYSA-N 1 0 340.851 2.065 10 10 EECERO COC(=O)/C=C/c1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000301096708 465900012 /nfs/dbraw/zinc/90/00/12/465900012.db2.gz RMIAJTSUHPZRAP-FNORWQNLSA-N 1 0 333.388 2.311 10 10 EECERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000361390325 465955488 /nfs/dbraw/zinc/95/54/88/465955488.db2.gz MVEGNHBWYUXFIW-WQAKAFBOSA-N 1 0 339.233 2.254 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@@H](CO)c3cccnc3)CC2)cc1 ZINC000368575825 466674397 /nfs/dbraw/zinc/67/43/97/466674397.db2.gz OTXPFPZWGKHSEV-KRWDZBQOSA-N 1 0 341.455 2.425 10 10 EECERO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC34CCC4)CC2)cc1 ZINC000769984592 577588468 /nfs/dbraw/zinc/58/84/68/577588468.db2.gz QQNCCTLNFCVLHO-UHFFFAOYSA-N 1 0 343.471 2.362 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899147456 693632382 /nfs/dbraw/zinc/63/23/82/693632382.db2.gz RCDFZNYZMKKMSO-LJQANCHMSA-N 1 0 345.487 2.210 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2cncs2)cc1C ZINC001691354111 1177956402 /nfs/dbraw/zinc/95/64/02/1177956402.db2.gz KEXMSCAHZMBRNL-UHFFFAOYSA-N 1 0 333.457 2.251 10 10 EECERO CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268758491 1183673693 /nfs/dbraw/zinc/67/36/93/1183673693.db2.gz DFWRARKPKOBBIW-ZDUSSCGKSA-N 1 0 349.435 2.324 10 10 EECERO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001626148635 1224103378 /nfs/dbraw/zinc/10/33/78/1224103378.db2.gz PWURTXHHHITTCQ-UHFFFAOYSA-N 1 0 334.441 2.292 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001482825742 1187746325 /nfs/dbraw/zinc/74/63/25/1187746325.db2.gz BFSGWQSLPOSPBV-HNNXBMFYSA-N 1 0 332.444 2.335 10 10 EECERO CC[N@@H+]1CC[C@@H](Cn2c(C)nnc2N(C)Cc2ccccc2O)C1 ZINC001746397167 1189473622 /nfs/dbraw/zinc/47/36/22/1189473622.db2.gz ZDLJNEPOXDHFHE-OAHLLOKOSA-N 1 0 329.448 2.270 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3cnc(C)o3)CC2)cc1C ZINC001483740651 1190889518 /nfs/dbraw/zinc/88/95/18/1190889518.db2.gz NIZDZCUHHSRESF-UHFFFAOYSA-N 1 0 343.427 2.281 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3[nH]c(C)nc3C)CC2)cc1C ZINC001483767547 1191001151 /nfs/dbraw/zinc/00/11/51/1191001151.db2.gz CTHLXSLFELSSPJ-UHFFFAOYSA-N 1 0 342.443 2.396 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000865017941 1198048339 /nfs/dbraw/zinc/04/83/39/1198048339.db2.gz DOCYRXJELBTSJV-ZYSHUDEJSA-N 1 0 345.487 2.431 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C3CC3)C2)cc1 ZINC000872210370 1198088131 /nfs/dbraw/zinc/08/81/31/1198088131.db2.gz XEXGMBJAAIMLCX-BPAFIMBUSA-N 1 0 348.487 2.023 10 10 EECERO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653927 1201196015 /nfs/dbraw/zinc/19/60/15/1201196015.db2.gz YJGLBXHOJCZAAN-KSSFIOAISA-N 1 0 340.423 2.359 10 10 EECERO CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(N(C)C)cc1 ZINC000866524683 1201541280 /nfs/dbraw/zinc/54/12/80/1201541280.db2.gz LRZHHTGQTAOXSW-WMZOPIPTSA-N 1 0 333.432 2.015 10 10 EECERO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC000925318228 1206095518 /nfs/dbraw/zinc/09/55/18/1206095518.db2.gz DLRHNTAHTGFKOQ-CRAIPNDOSA-N 1 0 346.475 2.010 10 10 EECERO OC1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000925715002 1206145750 /nfs/dbraw/zinc/14/57/50/1206145750.db2.gz BBPFOXPXIANDMW-LJQANCHMSA-N 1 0 329.488 2.412 10 10 EECERO Cc1ccc(O)c(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 ZINC000093667318 1214919519 /nfs/dbraw/zinc/91/95/19/1214919519.db2.gz DDPJRGLFAYCXJO-KRWDZBQOSA-N 1 0 332.444 2.304 10 10 EECERO Oc1cc(Br)ccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724601344 1230669506 /nfs/dbraw/zinc/66/95/06/1230669506.db2.gz VTJSLNDGIYACAP-QKCSRTOESA-N 1 0 328.206 2.048 10 10 EECERO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903074139 1239669484 /nfs/dbraw/zinc/66/94/84/1239669484.db2.gz RYVICKGEDCONGS-ZWKOTPCHSA-N 1 0 334.485 2.277 10 10 EECERO CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Cl)ccc1O ZINC000850510752 1277255484 /nfs/dbraw/zinc/25/54/84/1277255484.db2.gz XIGCHKYWYCJCOG-GDBMZVCRSA-N 1 0 329.824 2.254 10 10 EECERO CC1CCN(c2ccc(CNC(=O)NCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000851656515 1277703050 /nfs/dbraw/zinc/70/30/50/1277703050.db2.gz MCKXYLIOMSRBDW-UHFFFAOYSA-N 1 0 342.487 2.474 10 10 EECERO COC(=O)c1cc(C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c(C)[nH]1 ZINC001192781281 1282165751 /nfs/dbraw/zinc/16/57/51/1282165751.db2.gz SXEVSUDGDBPZJV-SNVBAGLBSA-N 1 0 346.383 2.357 10 10 EECERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228977 1293121153 /nfs/dbraw/zinc/12/11/53/1293121153.db2.gz GTOLMMVBGJHUJL-YJBOKZPZSA-N 1 0 331.460 2.265 10 10 EECERO COCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCCCC1 ZINC000856993225 1293691555 /nfs/dbraw/zinc/69/15/55/1293691555.db2.gz AUBGWRLEPXIPKQ-QGZVFWFLSA-N 1 0 333.476 2.466 10 10 EECERO CCON(CC)C(=O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000858222163 1294050526 /nfs/dbraw/zinc/05/05/26/1294050526.db2.gz CPIQALRXHXEGNA-UHFFFAOYSA-N 1 0 335.448 2.054 10 10 EECERO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)ccc1N1CCCCC1 ZINC000858226499 1294052985 /nfs/dbraw/zinc/05/29/85/1294052985.db2.gz OEXBEXYXJHNXHA-ZWKOTPCHSA-N 1 0 349.431 2.215 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)ccc1O ZINC000858522691 1294142145 /nfs/dbraw/zinc/14/21/45/1294142145.db2.gz HNYJODONEGBEKX-ZYHUDNBSSA-N 1 0 329.238 2.136 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Br)cc1O ZINC000858522218 1294142453 /nfs/dbraw/zinc/14/24/53/1294142453.db2.gz BPCSFMVMJYNTLJ-ZYHUDNBSSA-N 1 0 329.238 2.136 10 10 EECERO CCC1(N2CCOCC2)CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000862535809 1295869873 /nfs/dbraw/zinc/86/98/73/1295869873.db2.gz YUAUQWHHNPWFTE-UHFFFAOYSA-N 1 0 334.460 2.478 10 10 EECERO Cc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1O ZINC000862536824 1295870911 /nfs/dbraw/zinc/87/09/11/1295870911.db2.gz WOUBGVQILYUSHM-GOSISDBHSA-N 1 0 327.428 2.086 10 10 EECERO C[C@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccc(N(C)C)cc1 ZINC001234556939 1304967478 /nfs/dbraw/zinc/96/74/78/1304967478.db2.gz WSSODBLRKCRZGN-GMBSWORKSA-N 1 0 330.476 2.407 10 10 EECERO O=C1[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCN1C1CCOCC1 ZINC001118986011 1308968775 /nfs/dbraw/zinc/96/87/75/1308968775.db2.gz UWRCPJDYVCSRRI-LJQANCHMSA-N 1 0 343.471 2.156 10 10 EECERO COCCNC(=O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909243 1315433445 /nfs/dbraw/zinc/43/34/45/1315433445.db2.gz DTCIZCHJXGPZRY-UHFFFAOYSA-N 1 0 340.851 2.329 10 10 EECERO CN(C)c1ccc([C@@H]([NH3+])CNCc2cn3cccc(F)c3n2)cc1 ZINC000841045757 1315462303 /nfs/dbraw/zinc/46/23/03/1315462303.db2.gz PIVIETZCPPVRGQ-KRWDZBQOSA-N 1 0 327.407 2.329 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1F ZINC000841759465 1315609417 /nfs/dbraw/zinc/60/94/17/1315609417.db2.gz GCFIERMYUKJBAY-GOSISDBHSA-N 1 0 334.439 2.177 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2cncs2)cc1C ZINC001265788328 1323381111 /nfs/dbraw/zinc/38/11/11/1323381111.db2.gz KHHCNBUULYVSPO-ZDUSSCGKSA-N 1 0 333.457 2.297 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cnc(C)n2C)cc1C ZINC001321211616 1333046110 /nfs/dbraw/zinc/04/61/10/1333046110.db2.gz OVIBKLXELNVBIG-AATRIKPKSA-N 1 0 342.443 2.121 10 10 EECERO CN1CCN(c2ccc(C[NH2+]CC[C@H]3CCCOC3)cc2F)CC1 ZINC001351341228 1337810053 /nfs/dbraw/zinc/81/00/53/1337810053.db2.gz LAYFERWIIIUBCY-MRXNPFEDSA-N 1 0 335.467 2.484 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cncn2C)C2CC2)cc1C ZINC001566714560 1342611530 /nfs/dbraw/zinc/61/15/30/1342611530.db2.gz MRAZGDKSMYKVRW-INIZCTEOSA-N 1 0 342.443 2.035 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)CC[N@@H+]3CC[C@@H](F)C3)C2)cc1 ZINC001643346674 1352746841 /nfs/dbraw/zinc/74/68/41/1352746841.db2.gz OPAZLBKHXHCEKZ-JKSUJKDBSA-N 1 0 349.450 2.072 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2cscn2)cc1C ZINC001662357276 1354786481 /nfs/dbraw/zinc/78/64/81/1354786481.db2.gz ZZIUCEQOMSNLQF-ZDUSSCGKSA-N 1 0 333.457 2.297 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCc2cn[nH]c2)cc1C ZINC001667007391 1355631182 /nfs/dbraw/zinc/63/11/82/1355631182.db2.gz AAYZRQLQGQTHII-OAHLLOKOSA-N 1 0 344.459 2.296 10 10 EECERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000846674270 790367122 /nfs/dbraw/zinc/36/71/22/790367122.db2.gz VUMVVWQFBXGHFQ-JVPBZIDWSA-N 1 0 343.471 2.231 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000846696848 790430788 /nfs/dbraw/zinc/43/07/88/790430788.db2.gz IJKIBZIZVBDNJF-QZTJIDSGSA-N 1 0 331.460 2.120 10 10 EECERO C[NH+]1CCN(c2ccc(CN3CCOC[C@@H]3CC(F)F)cc2)CC1 ZINC000809713070 783328276 /nfs/dbraw/zinc/32/82/76/783328276.db2.gz YKMTYSJLWWTLSW-KRWDZBQOSA-N 1 0 339.430 2.294 10 10 EECERO O=C1[C@H]([NH2+]Cc2ccc(Br)cc2O)CCN1C1CCC1 ZINC000708669742 786838979 /nfs/dbraw/zinc/83/89/79/786838979.db2.gz FXDQNHBWQYMJIH-CYBMUJFWSA-N 1 0 339.233 2.398 10 10 EECERO CN(C)c1ccc(/C=C/C[NH+]2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000822530289 787237066 /nfs/dbraw/zinc/23/70/66/787237066.db2.gz WMVPUCPVFHZYRP-SNAWJCMRSA-N 1 0 328.460 2.255 10 10 EECERO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2nnnn2C)cc1 ZINC000824073087 788041191 /nfs/dbraw/zinc/04/11/91/788041191.db2.gz DYRMGSXKUMGFIX-UHFFFAOYSA-N 1 0 342.472 2.240 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000922912717 788317301 /nfs/dbraw/zinc/31/73/01/788317301.db2.gz LFTBFUDARSUNON-HDMKZQKVSA-N 1 0 332.492 2.384 10 10 EECERO CCOCc1cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)ccc1OC ZINC000922993909 788515730 /nfs/dbraw/zinc/51/57/30/788515730.db2.gz PLVWBMUFOGFJFM-HNNXBMFYSA-N 1 0 330.432 2.007 10 10 EECERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)C1 ZINC000825422022 788629393 /nfs/dbraw/zinc/62/93/93/788629393.db2.gz JJLVNJQKYWNWIO-ZHALLVOQSA-N 1 0 343.471 2.045 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844467266 789137570 /nfs/dbraw/zinc/13/75/70/789137570.db2.gz BOUAAAVWOCRPQN-QGZVFWFLSA-N 1 0 337.414 2.442 10 10 EECERO CN(C)c1ccc(C[NH2+]CC[C@@]2(O)CCOC2)c(C(F)(F)F)c1 ZINC000846050164 790037953 /nfs/dbraw/zinc/03/79/53/790037953.db2.gz RJFHCBWOKYXVBG-OAHLLOKOSA-N 1 0 332.366 2.403 10 10 EECERO Cc1cc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)nn1C ZINC000922689919 801673308 /nfs/dbraw/zinc/67/33/08/801673308.db2.gz QAHKTGZWIXZEGW-UHFFFAOYSA-N 1 0 332.423 2.037 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000808226280 812529244 /nfs/dbraw/zinc/52/92/44/812529244.db2.gz AXCBRLZSONMZQH-GFCCVEGCSA-N 1 0 342.395 2.029 10 10 EECERO O=C(CC[N@@H+]1CC[C@H](F)C1)NCc1cccc(Br)c1O ZINC001448955953 1093966758 /nfs/dbraw/zinc/96/67/58/1093966758.db2.gz CPKOHURTCVPWBY-NSHDSACASA-N 1 0 345.212 2.205 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2n[nH]cc2C)cc1C ZINC001480763876 1107067496 /nfs/dbraw/zinc/06/74/96/1107067496.db2.gz GTDPBANQZUYWQZ-CQSZACIVSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCOC3)CCC2)cc1C ZINC001501924073 1113525035 /nfs/dbraw/zinc/52/50/35/1113525035.db2.gz XIOXYRVXLZQACR-MRXNPFEDSA-N 1 0 332.444 2.169 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2cc(C)cs2)cc1C ZINC001507188971 1115148713 /nfs/dbraw/zinc/14/87/13/1115148713.db2.gz JISKFPLPSOWEIU-OAHLLOKOSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cnnc(C)c2)cc1C ZINC001568842469 1124861179 /nfs/dbraw/zinc/86/11/79/1124861179.db2.gz UFMJAOJSNUQGQG-PLNGDYQASA-N 1 0 340.427 2.178 10 10 EECERO COc1cccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000120233168 462976424 /nfs/dbraw/zinc/97/64/24/462976424.db2.gz SJVHXQBWEKIRNM-HNNXBMFYSA-N 1 0 328.416 2.292 10 10 EECERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000185502926 463835254 /nfs/dbraw/zinc/83/52/54/463835254.db2.gz SWIXCRPMKDGVMH-KOLCDFICSA-N 1 0 327.222 2.426 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000185972848 463915749 /nfs/dbraw/zinc/91/57/49/463915749.db2.gz DEWOZLGMRBVTOB-CMPLNLGQSA-N 1 0 329.238 2.136 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194939235 463963287 /nfs/dbraw/zinc/96/32/87/463963287.db2.gz AVSLKEKHWSYHMY-GFCCVEGCSA-N 1 0 332.404 2.229 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173992946 464346140 /nfs/dbraw/zinc/34/61/40/464346140.db2.gz WAVVUFJDQLCOBL-IBGZPJMESA-N 1 0 340.471 2.443 10 10 EECERO COc1cc(N2CC[NH+](CCSC)CC2)cc(OC)c1OC ZINC000183701892 464900873 /nfs/dbraw/zinc/90/08/73/464900873.db2.gz JLYLCSXVTGFBFK-UHFFFAOYSA-N 1 0 326.462 2.197 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3C)cc2F)CC1 ZINC000106584844 529153171 /nfs/dbraw/zinc/15/31/71/529153171.db2.gz ZOQMZRSUOMULRN-CZUORRHYSA-N 1 0 334.439 2.175 10 10 EECERO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732796995 577192619 /nfs/dbraw/zinc/19/26/19/577192619.db2.gz CZKOAFJFZAEMKB-AWEZNQCLSA-N 1 0 342.361 2.476 10 10 EECERO CNC(=O)CCOC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000770287138 577593509 /nfs/dbraw/zinc/59/35/09/577593509.db2.gz SYXIZRDUKQBYLV-UHFFFAOYSA-N 1 0 337.439 2.009 10 10 EECERO C/C=C/C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000763360184 577719878 /nfs/dbraw/zinc/71/98/78/577719878.db2.gz BASAZHWOIBCPFS-OQBYNLHGSA-N 1 0 345.487 2.426 10 10 EECERO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000756490570 577844995 /nfs/dbraw/zinc/84/49/95/577844995.db2.gz WITZBVUVWLNUDJ-NXEZZACHSA-N 1 0 325.210 2.486 10 10 EECERO Cn1ccnc1CN1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160156307 674581413 /nfs/dbraw/zinc/58/14/13/674581413.db2.gz CAUURRDXYWSROT-UHFFFAOYSA-N 1 0 340.471 2.322 10 10 EECERO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(C)(C)CO ZINC000926559681 679430473 /nfs/dbraw/zinc/43/04/73/679430473.db2.gz ONHYFWOJDMEHBD-LBPRGKRZSA-N 1 0 328.403 2.298 10 10 EECERO COC(=O)c1c(C[NH2+]C2CC(C(=O)OC)C2)c2cc(F)ccc2n1C ZINC000895457049 684606746 /nfs/dbraw/zinc/60/67/46/684606746.db2.gz KUNOYXRRMATBKD-UHFFFAOYSA-N 1 0 348.374 2.145 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000898581225 693383236 /nfs/dbraw/zinc/38/32/36/693383236.db2.gz VHPMYWARXKTNQU-WMLDXEAASA-N 1 0 331.460 2.263 10 10 EECERO CCc1c[nH]c(CC(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001266730798 1177316358 /nfs/dbraw/zinc/31/63/58/1177316358.db2.gz GUZQAVSRRYTZSK-UHFFFAOYSA-N 1 0 344.459 2.080 10 10 EECERO Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268676462 1183603008 /nfs/dbraw/zinc/60/30/08/1183603008.db2.gz QPLQISMMMWPBIL-SNVBAGLBSA-N 1 0 344.375 2.054 10 10 EECERO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Br)ccc1O ZINC000866496662 1201532626 /nfs/dbraw/zinc/53/26/26/1201532626.db2.gz UQMRSVAVACNNGN-JTQLQIEISA-N 1 0 349.232 2.484 10 10 EECERO COc1ccc(N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1F ZINC000121762645 1201663244 /nfs/dbraw/zinc/66/32/44/1201663244.db2.gz FADJMADKKUPGMK-UHFFFAOYSA-N 1 0 335.423 2.014 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000881854506 1201775758 /nfs/dbraw/zinc/77/57/58/1201775758.db2.gz DRAWGOPDBVZUID-QXAKKESOSA-N 1 0 327.472 2.491 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)C3CC4(CC4(F)F)C3)cc2)CC1 ZINC000881855457 1201776128 /nfs/dbraw/zinc/77/61/28/1201776128.db2.gz XEFLGYUPIZURFB-UHFFFAOYSA-N 1 0 349.425 2.490 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC[N@@H+]1C ZINC000869228589 1201969442 /nfs/dbraw/zinc/96/94/42/1201969442.db2.gz LIEVOGFBZWYSSD-JCGIZDLHSA-N 1 0 331.460 2.120 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@@H]3[C@@H](C)COC[C@H]3C)CC2)cc1 ZINC000924832242 1206039230 /nfs/dbraw/zinc/03/92/30/1206039230.db2.gz QHDQNSMOPPDBNS-YRWFTTLQSA-N 1 0 347.503 2.078 10 10 EECERO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000925314209 1206094888 /nfs/dbraw/zinc/09/48/88/1206094888.db2.gz RUEYSYBHSWYWGE-HYVNUMGLSA-N 1 0 347.459 2.175 10 10 EECERO CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000927858460 1206310352 /nfs/dbraw/zinc/31/03/52/1206310352.db2.gz RICLEEPKRKRHKR-UHFFFAOYSA-N 1 0 344.459 2.121 10 10 EECERO CN(C)c1ccc(/C=C/CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699464 1248656007 /nfs/dbraw/zinc/65/60/07/1248656007.db2.gz HQMQOSRRWPVZDF-YADGQWAMSA-N 1 0 329.488 2.297 10 10 EECERO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000827045360 1249653337 /nfs/dbraw/zinc/65/33/37/1249653337.db2.gz SQHZWVVDMJJQST-UHFFFAOYSA-N 1 0 338.395 2.128 10 10 EECERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccccc1O ZINC001197004961 1284397937 /nfs/dbraw/zinc/39/79/37/1284397937.db2.gz WNKHIRITSCARGC-ZJUUUORDSA-N 1 0 333.413 2.230 10 10 EECERO CCO[C@@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001489376425 1290544292 /nfs/dbraw/zinc/54/42/92/1290544292.db2.gz RWLTWDCRFKPTLA-OOHWJJMZSA-N 1 0 334.460 2.413 10 10 EECERO CC(C)([NH3+])c1cc(C(=O)NCCCSc2nccs2)on1 ZINC000852839726 1292212106 /nfs/dbraw/zinc/21/21/06/1292212106.db2.gz DNFDZVLCNUHNKN-UHFFFAOYSA-N 1 0 326.447 2.237 10 10 EECERO Cc1cccc(COCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000856994420 1293692398 /nfs/dbraw/zinc/69/23/98/1293692398.db2.gz MNXLNZVPNQVIDV-IBGZPJMESA-N 1 0 341.455 2.394 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000858307058 1294077394 /nfs/dbraw/zinc/07/73/94/1294077394.db2.gz ZROJAPNVRYRXIN-HXUWFJFHSA-N 1 0 340.471 2.138 10 10 EECERO C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000861566775 1295459483 /nfs/dbraw/zinc/45/94/83/1295459483.db2.gz REQKTTIIEMOSDK-INMHGKMJSA-N 1 0 346.475 2.024 10 10 EECERO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117596157 1306122801 /nfs/dbraw/zinc/12/28/01/1306122801.db2.gz WMNDVDAHICVEBX-QGZVFWFLSA-N 1 0 337.483 2.416 10 10 EECERO COc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)ncn1 ZINC000840940252 1315441443 /nfs/dbraw/zinc/44/14/43/1315441443.db2.gz XWMOCASVQQWWKK-UHFFFAOYSA-N 1 0 341.459 2.182 10 10 EECERO CCO/C=C/C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841165694 1315494224 /nfs/dbraw/zinc/49/42/24/1315494224.db2.gz CDGRFFGQYGBVLP-NTEUORMPSA-N 1 0 343.471 2.385 10 10 EECERO C[C@H]1CC[N@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001256032041 1318611086 /nfs/dbraw/zinc/61/10/86/1318611086.db2.gz LGJUGLNTQHMTJQ-AWEZNQCLSA-N 1 0 331.460 2.412 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001265555670 1323218285 /nfs/dbraw/zinc/21/82/85/1323218285.db2.gz DJNSDTXGACXWIF-JZXOWHBKSA-N 1 0 334.460 2.411 10 10 EECERO COc1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)C(C)C)C2)cc1C ZINC001281104748 1324764339 /nfs/dbraw/zinc/76/43/39/1324764339.db2.gz NNLCCMKAQCENHG-LJQANCHMSA-N 1 0 334.460 2.103 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cnco2)C2CC2)cc1C ZINC001276634074 1324905900 /nfs/dbraw/zinc/90/59/00/1324905900.db2.gz OWFHYWTULZXGJX-OAHLLOKOSA-N 1 0 329.400 2.290 10 10 EECERO CN(C)c1ccc([C@H](CNC(=O)[C@H](O)C2CCCCC2)[NH+](C)C)cc1 ZINC001304769696 1331395459 /nfs/dbraw/zinc/39/54/59/1331395459.db2.gz XSBGPEPLDCAQBF-RBUKOAKNSA-N 1 0 347.503 2.413 10 10 EECERO CNc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC001304767386 1331395631 /nfs/dbraw/zinc/39/56/31/1331395631.db2.gz FQWAZPZYVXTRFX-SFHVURJKSA-N 1 0 341.459 2.222 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccc(=O)[nH]c2)cc1C ZINC001319584230 1332724832 /nfs/dbraw/zinc/72/48/32/1332724832.db2.gz ZOWCBINFZMEYJA-AWEZNQCLSA-N 1 0 343.427 2.355 10 10 EECERO CCn1cc(CC(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001322043694 1333201441 /nfs/dbraw/zinc/20/14/41/1333201441.db2.gz OZBFCRAUHWWTFR-HNNXBMFYSA-N 1 0 344.459 2.057 10 10 EECERO CCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CC[N@H+](C)C1 ZINC001330664588 1334884277 /nfs/dbraw/zinc/88/42/77/1334884277.db2.gz HFYOCJVDUDSIRU-KRWDZBQOSA-N 1 0 330.476 2.305 10 10 EECERO C[C@H](O)CCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001331647646 1335051521 /nfs/dbraw/zinc/05/15/21/1335051521.db2.gz NGWWYOWCQPPMAX-STQMWFEESA-N 1 0 349.435 2.060 10 10 EECERO Cc1cc(Br)c(O)c(CN[C@H](C[NH3+])C(F)(F)F)c1 ZINC000848714735 1338745783 /nfs/dbraw/zinc/74/57/83/1338745783.db2.gz UITBABWVLAHAOC-SECBINFHSA-N 1 0 327.144 2.442 10 10 EECERO CCOCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001571527693 1343229679 /nfs/dbraw/zinc/22/96/79/1343229679.db2.gz CCUJQODJGYWJBV-SJORKVTESA-N 1 0 334.460 2.415 10 10 EECERO COc1cccc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1O ZINC001622780009 1352388997 /nfs/dbraw/zinc/38/89/97/1352388997.db2.gz ZYPNARHMCAARRI-SJORKVTESA-N 1 0 340.423 2.362 10 10 EECERO COCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001672183088 1356475613 /nfs/dbraw/zinc/47/56/13/1356475613.db2.gz MJSFYQZZXKNNBW-RDJZCZTQSA-N 1 0 334.460 2.367 10 10 EECERO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925782112 775635458 /nfs/dbraw/zinc/63/54/58/775635458.db2.gz KXOMYPKJUOCKLC-ZYHUDNBSSA-N 1 0 328.359 2.074 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC000818941298 785333577 /nfs/dbraw/zinc/33/35/77/785333577.db2.gz HLMUPLVJDHRLOE-INIZCTEOSA-N 1 0 337.464 2.070 10 10 EECERO C[NH+](C)CC1CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819168497 785443143 /nfs/dbraw/zinc/44/31/43/785443143.db2.gz SJAOXALHCOOQIN-UHFFFAOYSA-N 1 0 345.443 2.277 10 10 EECERO OCCN1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000824584207 788247070 /nfs/dbraw/zinc/24/70/70/788247070.db2.gz XFVDVOUVVKGNOX-AWEZNQCLSA-N 1 0 343.265 2.091 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824655435 788258441 /nfs/dbraw/zinc/25/84/41/788258441.db2.gz WJMQWEOUYRGYFI-GLQYFDAESA-N 1 0 341.835 2.416 10 10 EECERO COc1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001495645813 1101377952 /nfs/dbraw/zinc/37/79/52/1101377952.db2.gz QYHVKJGTOXMUJJ-GFCCVEGCSA-N 1 0 347.415 2.156 10 10 EECERO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C(C)(C)O ZINC001459566752 1110223959 /nfs/dbraw/zinc/22/39/59/1110223959.db2.gz BMPJVJDEFNUMPC-CYBMUJFWSA-N 1 0 332.238 2.108 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cc(C)co2)cc1C ZINC001507498227 1115291129 /nfs/dbraw/zinc/29/11/29/1115291129.db2.gz BCZQKRJYRZFKCK-INIZCTEOSA-N 1 0 346.427 2.128 10 10 EECERO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 ZINC000058299757 463572519 /nfs/dbraw/zinc/57/25/19/463572519.db2.gz FSLVMQDJAPGDMI-HOTGVXAUSA-N 1 0 341.459 2.112 10 10 EECERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000271772746 464379561 /nfs/dbraw/zinc/37/95/61/464379561.db2.gz FQKASRSAJOOVER-GFCCVEGCSA-N 1 0 346.880 2.115 10 10 EECERO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C(=O)OC(C)(C)C ZINC000282679265 464908073 /nfs/dbraw/zinc/90/80/73/464908073.db2.gz KCZRQJXBUMXOCX-LLVKDONJSA-N 1 0 338.404 2.466 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367082204 466118893 /nfs/dbraw/zinc/11/88/93/466118893.db2.gz YNMVNSXIUCTULL-FQEVSTJZSA-N 1 0 345.487 2.214 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC/C=C/CO)C1 ZINC000617683735 469759170 /nfs/dbraw/zinc/75/91/70/469759170.db2.gz HVIFAZBVWPNTES-AATRIKPKSA-N 1 0 341.455 2.073 10 10 EECERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000774677436 577410407 /nfs/dbraw/zinc/41/04/07/577410407.db2.gz DLJVXHNABSIBGU-CABCVRRESA-N 1 0 344.411 2.483 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000775368791 577436039 /nfs/dbraw/zinc/43/60/39/577436039.db2.gz FYWFBTCAMSIHAV-LLVKDONJSA-N 1 0 344.367 2.419 10 10 EECERO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765955464 577510017 /nfs/dbraw/zinc/51/00/17/577510017.db2.gz VVGCRTGRRDPMSA-DMZKTXOQSA-N 1 0 328.453 2.082 10 10 EECERO CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000770285695 577593565 /nfs/dbraw/zinc/59/35/65/577593565.db2.gz GDYWTIMKPRHNIR-UHFFFAOYSA-N 1 0 326.824 2.163 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000761107780 577676759 /nfs/dbraw/zinc/67/67/59/577676759.db2.gz HRNWNLJLPRCZCM-AWEZNQCLSA-N 1 0 325.403 2.298 10 10 EECERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1cc(Br)ccc1O ZINC000050394441 676351129 /nfs/dbraw/zinc/35/11/29/676351129.db2.gz OGPRAQQJZBOROI-NWDGAFQWSA-N 1 0 327.222 2.474 10 10 EECERO COC(=O)c1cc(C[NH2+]Cc2cc(OC)c(OC)cc2O)n(C)c1C ZINC000895647717 684670504 /nfs/dbraw/zinc/67/05/04/684670504.db2.gz YIPYSVKHKYIKBY-UHFFFAOYSA-N 1 0 348.399 2.133 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000895711347 684693905 /nfs/dbraw/zinc/69/39/05/684693905.db2.gz PFWCRTJSIVSGKA-UHFFFAOYSA-N 1 0 343.471 2.014 10 10 EECERO c1cn(-c2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccn2)cn1 ZINC000236705825 685093071 /nfs/dbraw/zinc/09/30/71/685093071.db2.gz SCGJMHYFXQYSKT-UHFFFAOYSA-N 1 0 349.438 2.394 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ncccn2)C2CC2)cc1C ZINC001670532372 1176869294 /nfs/dbraw/zinc/86/92/94/1176869294.db2.gz AMWBVDLFCKILDH-INIZCTEOSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2n[nH]c(C)c2C)cc1C ZINC001266929072 1177825594 /nfs/dbraw/zinc/82/55/94/1177825594.db2.gz AMZKWCIWLAACCQ-GFCCVEGCSA-N 1 0 330.432 2.252 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)C2(F)CCOCC2)cc1C ZINC001691340888 1177937139 /nfs/dbraw/zinc/93/71/39/1177937139.db2.gz NOJUHYJXKDLQMZ-UHFFFAOYSA-N 1 0 338.423 2.070 10 10 EECERO CCCn1cc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001691495707 1181595927 /nfs/dbraw/zinc/59/59/27/1181595927.db2.gz UCVAFBAXPCSDGA-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cnn(C)c2C)cc1C ZINC001482983617 1187937326 /nfs/dbraw/zinc/93/73/26/1187937326.db2.gz FVTQDPXJAMJHEJ-AATRIKPKSA-N 1 0 342.443 2.121 10 10 EECERO C[C@@H](O)CCC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272184675 1188000630 /nfs/dbraw/zinc/00/06/30/1188000630.db2.gz COIUIGUCSGHYTC-CYBMUJFWSA-N 1 0 349.435 2.014 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2c(C)ncn2C)cc1C ZINC001483471905 1190494398 /nfs/dbraw/zinc/49/43/98/1190494398.db2.gz WJINAEXABQUKHV-UHFFFAOYSA-N 1 0 344.459 2.297 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]CCOCC(=O)OC(C)(C)C)cc1F ZINC000865683582 1198331144 /nfs/dbraw/zinc/33/11/44/1198331144.db2.gz DBHPEOWWYGMDSF-UHFFFAOYSA-N 1 0 344.402 2.479 10 10 EECERO COCC[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000825725819 1198883748 /nfs/dbraw/zinc/88/37/48/1198883748.db2.gz ATQVWEYOXRQWMD-CYBMUJFWSA-N 1 0 330.222 2.392 10 10 EECERO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)c(C)cc3O)C[C@H]1COCC2 ZINC000825748809 1198979063 /nfs/dbraw/zinc/97/90/63/1198979063.db2.gz JVWWWXGLGOFSCR-SUMWQHHRSA-N 1 0 339.819 2.366 10 10 EECERO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccccc1O ZINC000866492425 1201530481 /nfs/dbraw/zinc/53/04/81/1201530481.db2.gz OPCPRNISAQXRSS-DAXOMENPSA-N 1 0 338.473 2.436 10 10 EECERO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC[N@@H+]1C ZINC000868955666 1201911569 /nfs/dbraw/zinc/91/15/69/1201911569.db2.gz NVPOHASQWLJFSV-AYOQOUSVSA-N 1 0 345.487 2.368 10 10 EECERO COC1(OC)CC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558359 1206227430 /nfs/dbraw/zinc/22/74/30/1206227430.db2.gz FFAIXVDGIGEIKP-HNNXBMFYSA-N 1 0 342.386 2.043 10 10 EECERO C[C@H]([NH2+]C[C@H]1CCC2(COC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000930211005 1206541725 /nfs/dbraw/zinc/54/17/25/1206541725.db2.gz ROIKYPYSAMVENH-MAUKXSAKSA-N 1 0 332.444 2.122 10 10 EECERO CN(C)c1ccc(CNC(=O)CCN(C)c2cc[nH+]cc2)cc1F ZINC000779507110 1210402478 /nfs/dbraw/zinc/40/24/78/1210402478.db2.gz WLHFDCAJLJUPED-UHFFFAOYSA-N 1 0 330.407 2.429 10 10 EECERO COc1cc(O)c(C[NH2+]CC2(CC(N)=O)CCCCC2)cc1OC ZINC000827750614 1248692707 /nfs/dbraw/zinc/69/27/07/1248692707.db2.gz LHKYQBREXSNGQM-UHFFFAOYSA-N 1 0 336.432 2.325 10 10 EECERO CCOc1cccc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)c1O ZINC000722488658 1230173903 /nfs/dbraw/zinc/17/39/03/1230173903.db2.gz CYNPQCSMSAONHM-ZDUSSCGKSA-N 1 0 338.404 2.431 10 10 EECERO CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000801734756 1236107301 /nfs/dbraw/zinc/10/73/01/1236107301.db2.gz JXHQRWBNVIHBHC-YJBOKZPZSA-N 1 0 335.444 2.448 10 10 EECERO CCc1ocnc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491419224 1259055162 /nfs/dbraw/zinc/05/51/62/1259055162.db2.gz PAXCKCWBXQGQDW-ZDUSSCGKSA-N 1 0 331.416 2.462 10 10 EECERO COC(=O)c1cc(C(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(C)[nH]1 ZINC001192781280 1282166332 /nfs/dbraw/zinc/16/63/32/1282166332.db2.gz SXEVSUDGDBPZJV-JTQLQIEISA-N 1 0 346.383 2.357 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1F ZINC000858186179 1294036773 /nfs/dbraw/zinc/03/67/73/1294036773.db2.gz STJXMQNTNWDTTD-GFCCVEGCSA-N 1 0 325.359 2.104 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000858225692 1294052567 /nfs/dbraw/zinc/05/25/67/1294052567.db2.gz IMAJEAAAQBSSAD-CABCVRRESA-N 1 0 332.366 2.401 10 10 EECERO C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000863544024 1296328131 /nfs/dbraw/zinc/32/81/31/1296328131.db2.gz ITCOFYMMKWUYOM-VIFPVBQESA-N 1 0 335.217 2.180 10 10 EECERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000799314183 1305222819 /nfs/dbraw/zinc/22/28/19/1305222819.db2.gz JIPRGKLZTYXOJD-AUUYWEPGSA-N 1 0 345.418 2.442 10 10 EECERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)CC(C)(C)O)C2)cc1C ZINC001278485398 1310594009 /nfs/dbraw/zinc/59/40/09/1310594009.db2.gz UVCXKXJBKOCJRB-FQEVSTJZSA-N 1 0 348.487 2.493 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c(Cl)c1 ZINC000840908270 1315433689 /nfs/dbraw/zinc/43/36/89/1315433689.db2.gz RDXHKHCLQHHWNE-LBPRGKRZSA-N 1 0 346.880 2.115 10 10 EECERO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000840909197 1315433756 /nfs/dbraw/zinc/43/37/56/1315433756.db2.gz BXJWVIWDMQHLMI-GOSISDBHSA-N 1 0 345.487 2.132 10 10 EECERO COc1cccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)c1O ZINC000841406697 1315548045 /nfs/dbraw/zinc/54/80/45/1315548045.db2.gz SYVWUDXFQXHWOB-UHFFFAOYSA-N 1 0 340.423 2.465 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cnsn2)C2CC2)cc1C ZINC001317013868 1332044565 /nfs/dbraw/zinc/04/45/65/1332044565.db2.gz CAVNMMWULOKBKV-AWEZNQCLSA-N 1 0 346.456 2.153 10 10 EECERO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](O)C(F)F ZINC001324662612 1333733745 /nfs/dbraw/zinc/73/37/45/1333733745.db2.gz MMCJYGYWGXMCCE-HOCLYGCPSA-N 1 0 345.409 2.072 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]([NH3+])C3CCCCC3)C2)cc1 ZINC001329937898 1334744667 /nfs/dbraw/zinc/74/46/67/1334744667.db2.gz PSAJTQUKUKEAHI-YJBOKZPZSA-N 1 0 331.460 2.298 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H]3C[C@@H]4COC[C@H]4O3)CC2)cc1 ZINC001332686253 1335882628 /nfs/dbraw/zinc/88/26/28/1335882628.db2.gz TUIXDVXZHGSWAJ-AYOQOUSVSA-N 1 0 332.444 2.011 10 10 EECERO COc1ccc(N2CCC(NC(=O)CC[N@@H+]3CC[C@H](F)C3)CC2)cc1 ZINC001626479164 1352464536 /nfs/dbraw/zinc/46/45/36/1352464536.db2.gz DGMNJHXOGGGBDT-HNNXBMFYSA-N 1 0 349.450 2.214 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccnn2C)cc1C ZINC001674641268 1356868610 /nfs/dbraw/zinc/86/86/10/1356868610.db2.gz SGCHKCGKJVGWAR-ZIAGYGMSSA-N 1 0 330.432 2.034 10 10 EECERO COc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2nncs2)CC1 ZINC000809734144 783317642 /nfs/dbraw/zinc/31/76/42/783317642.db2.gz XHFPALPPROZAKT-UHFFFAOYSA-N 1 0 348.428 2.103 10 10 EECERO COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000817132047 784526342 /nfs/dbraw/zinc/52/63/42/784526342.db2.gz YYQNJYDFSPORPU-LEJCZOIISA-N 1 0 333.388 2.311 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000817292767 784634612 /nfs/dbraw/zinc/63/46/12/784634612.db2.gz WGNPQSXXRJXLCU-GOSISDBHSA-N 1 0 345.487 2.090 10 10 EECERO C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C(=O)[O-] ZINC000818631085 785310628 /nfs/dbraw/zinc/31/06/28/785310628.db2.gz CAOUOGFEGAMLJZ-YJBOKZPZSA-N 1 0 331.460 2.124 10 10 EECERO Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CN(C)CCO2)c1O ZINC000709429142 786950178 /nfs/dbraw/zinc/95/01/78/786950178.db2.gz XUMCPWHZBWSTRX-AWEZNQCLSA-N 1 0 343.265 2.226 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@H]3CCCCN3CCO)CC2)cc1 ZINC000824582945 788245841 /nfs/dbraw/zinc/24/58/41/788245841.db2.gz FILNKLHSFAUEEX-LJQANCHMSA-N 1 0 347.503 2.100 10 10 EECERO COc1cc(O)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000825124319 788447272 /nfs/dbraw/zinc/44/72/72/788447272.db2.gz MZQQGVGWTHKVAZ-YMTOWFKASA-N 1 0 335.322 2.155 10 10 EECERO COc1cc(O)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000825124318 788447468 /nfs/dbraw/zinc/44/74/68/788447468.db2.gz MZQQGVGWTHKVAZ-XPTSAGLGSA-N 1 0 335.322 2.155 10 10 EECERO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000844311695 788978317 /nfs/dbraw/zinc/97/83/17/788978317.db2.gz CUZQUFSJAGXBAN-KSSFIOAISA-N 1 0 345.443 2.157 10 10 EECERO CCO[C@@H]1CN(Cc2cc(Br)cc(C)c2O)C[C@H]1C[NH3+] ZINC000844903747 789444296 /nfs/dbraw/zinc/44/42/96/789444296.db2.gz MJNFYLUMXNQSJC-TZMCWYRMSA-N 1 0 343.265 2.259 10 10 EECERO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000846192245 790085647 /nfs/dbraw/zinc/08/56/47/790085647.db2.gz SHVQVDKMIBAQIZ-RWMBFGLXSA-N 1 0 337.851 2.091 10 10 EECERO COCCN(Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCOC1 ZINC000786189084 806708241 /nfs/dbraw/zinc/70/82/41/806708241.db2.gz GSVNVXXIORAOBZ-AWEZNQCLSA-N 1 0 327.808 2.486 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(F)nc2)cc1C ZINC001497797764 1103123658 /nfs/dbraw/zinc/12/36/58/1103123658.db2.gz KBXRKGKNPQJVDX-CYBMUJFWSA-N 1 0 331.391 2.446 10 10 EECERO CCc1n[nH]cc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001497843566 1103182659 /nfs/dbraw/zinc/18/26/59/1103182659.db2.gz SOWUJKVSHJVRBI-CYBMUJFWSA-N 1 0 330.432 2.197 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2csnn2)cc1C ZINC001498589463 1107770543 /nfs/dbraw/zinc/77/05/43/1107770543.db2.gz 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CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1ccon1 ZINC001668393053 1355932910 /nfs/dbraw/zinc/93/29/10/1355932910.db2.gz MSIPPTSCBUMTRE-UHFFFAOYSA-N 1 0 331.416 2.172 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000182321236 778725134 /nfs/dbraw/zinc/72/51/34/778725134.db2.gz PHMCVJLBZIALPL-OWQGQXMQSA-N 1 0 348.443 2.221 10 10 EECERO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC001135924313 784804191 /nfs/dbraw/zinc/80/41/91/784804191.db2.gz NDMZAIGFUZWKCO-HNNXBMFYSA-N 1 0 332.375 2.199 10 10 EECERO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)F ZINC000824637288 788251120 /nfs/dbraw/zinc/25/11/20/788251120.db2.gz XGXCNZQAJKDFTP-DZGCQCFKSA-N 1 0 332.366 2.157 10 10 EECERO C[N@@H+]1C[C@@H](CNC(=O)c2cccc(O)c2O)[C@H](c2ccccc2)C1 ZINC000844050383 788817838 /nfs/dbraw/zinc/81/78/38/788817838.db2.gz IWUXBTXGAJOVQU-ZBFHGGJFSA-N 1 0 326.396 2.173 10 10 EECERO C[NH+]1CCN(c2ccc(CN[C@H](c3ncccn3)C3CC3)cc2)CC1 ZINC000922579009 801362110 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CN(c1cccnn1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000093272715 530037765 /nfs/dbraw/zinc/03/77/65/530037765.db2.gz MVEKTODHLOCRRN-UHFFFAOYSA-N 1 0 342.399 2.012 10 10 EECERO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000527951464 317291428 /nfs/dbraw/zinc/29/14/28/317291428.db2.gz BPSJQIIOYRCTRP-YZMDESFKSA-N 1 0 348.212 2.484 10 10 EECERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC000128431496 462638517 /nfs/dbraw/zinc/63/85/17/462638517.db2.gz VHDJUKCDKUATAH-KRWDZBQOSA-N 1 0 326.444 2.246 10 10 EECERO O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccnnc1 ZINC000133826402 462974279 /nfs/dbraw/zinc/97/42/79/462974279.db2.gz SSTPFBDZJGTFLV-OAHLLOKOSA-N 1 0 346.818 2.230 10 10 EECERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)ccc3O)C2=O)n(C)n1 ZINC000080526377 463328426 /nfs/dbraw/zinc/32/84/26/463328426.db2.gz YQCIQCBFTNUOEV-OAHLLOKOSA-N 1 0 328.416 2.028 10 10 EECERO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000097160013 463339273 /nfs/dbraw/zinc/33/92/73/463339273.db2.gz WEIUQMHUYMETJQ-UHFFFAOYSA-N 1 0 332.423 2.417 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901751 463946507 /nfs/dbraw/zinc/94/65/07/463946507.db2.gz SQCOFQOKPLHHHY-SFHVURJKSA-N 1 0 328.460 2.276 10 10 EECERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175344051 464531161 /nfs/dbraw/zinc/53/11/61/464531161.db2.gz MYEOHQSHEBISJO-IBGZPJMESA-N 1 0 346.519 2.127 10 10 EECERO Oc1cccc([C@@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)c1 ZINC000372399734 466352912 /nfs/dbraw/zinc/35/29/12/466352912.db2.gz TVJXYUSYULCGGK-SFHVURJKSA-N 1 0 329.352 2.400 10 10 EECERO CN(C)c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000732458362 577181082 /nfs/dbraw/zinc/18/10/82/577181082.db2.gz WWZSJIYFNHKMPD-HNNXBMFYSA-N 1 0 334.439 2.270 10 10 EECERO COc1ccc(O)c(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000734070693 577276271 /nfs/dbraw/zinc/27/62/71/577276271.db2.gz ZKTNPYFDDSPJGF-KBPBESRZSA-N 1 0 335.448 2.463 10 10 EECERO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCCNC1=O ZINC000772799385 577298361 /nfs/dbraw/zinc/29/83/61/577298361.db2.gz ZALIFSOFICWRGP-GFCCVEGCSA-N 1 0 327.222 2.255 10 10 EECERO C[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)CS(C)(=O)=O ZINC000757842714 577865385 /nfs/dbraw/zinc/86/53/85/577865385.db2.gz CLPIICCVDJLHIT-ZBFHGGJFSA-N 1 0 341.473 2.054 10 10 EECERO Cc1ccnc(N)c1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894980046 683448995 /nfs/dbraw/zinc/44/89/95/683448995.db2.gz HIGLKHPFOUTSTP-UHFFFAOYSA-N 1 0 348.397 2.377 10 10 EECERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COCC3CC3)C2)cc1C ZINC001266509312 1176687146 /nfs/dbraw/zinc/68/71/46/1176687146.db2.gz SSWPDMZTKGTYEZ-KRWDZBQOSA-N 1 0 332.444 2.121 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCCO3)CC2)cc1C ZINC001483727648 1190829419 /nfs/dbraw/zinc/82/94/19/1190829419.db2.gz XEHCSVYMIASKET-KRWDZBQOSA-N 1 0 332.444 2.311 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2cn[nH]c2)cc1C ZINC001485200684 1191683543 /nfs/dbraw/zinc/68/35/43/1191683543.db2.gz SHTTWLBDMHTZFL-GJZGRUSLSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4c(cnn4C)c3)C2)cc1 ZINC000865622015 1198302553 /nfs/dbraw/zinc/30/25/53/1198302553.db2.gz IUVGTICSWNIEQL-MRXNPFEDSA-N 1 0 337.427 2.345 10 10 EECERO C[C@H]1C[C@@H]([NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c2c1c(F)ccc2O ZINC000866629807 1201564468 /nfs/dbraw/zinc/56/44/68/1201564468.db2.gz RGZSKVMWQGWMED-TVQRCGJNSA-N 1 0 345.374 2.438 10 10 EECERO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CO[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000924579538 1205998841 /nfs/dbraw/zinc/99/88/41/1205998841.db2.gz KUOQGRVEQZLUGM-ABSDTBQOSA-N 1 0 347.503 2.220 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000926611353 1206230876 /nfs/dbraw/zinc/23/08/76/1206230876.db2.gz LAKWYSBWAZCWJZ-APWZRJJASA-N 1 0 346.471 2.449 10 10 EECERO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1(S(C)(=O)=O)CC1 ZINC000796488057 1219298723 /nfs/dbraw/zinc/29/87/23/1219298723.db2.gz BOWFTQGBDNQFJS-VIFPVBQESA-N 1 0 348.262 2.210 10 10 EECERO O[C@]1(C2CC2)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000827151791 1250271288 /nfs/dbraw/zinc/27/12/88/1250271288.db2.gz JSJIKNVKEWWFPM-LJQANCHMSA-N 1 0 334.435 2.399 10 10 EECERO CC[N@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)C(C)=O ZINC000827945364 1252448172 /nfs/dbraw/zinc/44/81/72/1252448172.db2.gz SZIQHBGXZNODSS-AWEZNQCLSA-N 1 0 330.222 2.317 10 10 EECERO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c(Cl)c1 ZINC000850366004 1277201192 /nfs/dbraw/zinc/20/11/92/1277201192.db2.gz WVNVWZXIKGEVIR-UHFFFAOYSA-N 1 0 345.770 2.421 10 10 EECERO CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Cl)ccc1O ZINC000850510755 1277255314 /nfs/dbraw/zinc/25/53/14/1277255314.db2.gz XIGCHKYWYCJCOG-ZBFHGGJFSA-N 1 0 329.824 2.254 10 10 EECERO COc1ccc(N2CC[NH+](C[C@H](OC)[C@H]3CCOC3)CC2)cc1F ZINC000851807826 1291851244 /nfs/dbraw/zinc/85/12/44/1291851244.db2.gz JRSVMFIDBDNWQQ-KSSFIOAISA-N 1 0 338.423 2.008 10 10 EECERO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(N(C)C)cc1 ZINC000858466398 1294124278 /nfs/dbraw/zinc/12/42/78/1294124278.db2.gz ZYNDVMQLUUZYGG-UZLBHIALSA-N 1 0 347.503 2.019 10 10 EECERO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(N(C)C)cc1 ZINC000858466396 1294124376 /nfs/dbraw/zinc/12/43/76/1294124376.db2.gz ZYNDVMQLUUZYGG-OXJNMPFZSA-N 1 0 347.503 2.019 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(F)ccc1O ZINC000858565358 1294156089 /nfs/dbraw/zinc/15/60/89/1294156089.db2.gz NGXLRYCJUNFUOU-RHSMWYFYSA-N 1 0 345.418 2.478 10 10 EECERO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[NH2+]1 ZINC000861559624 1295456748 /nfs/dbraw/zinc/45/67/48/1295456748.db2.gz UCSMEMBHEQGMSO-ZBFHGGJFSA-N 1 0 348.516 2.180 10 10 EECERO C[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C[NH2+]1 ZINC000861689748 1295507169 /nfs/dbraw/zinc/50/71/69/1295507169.db2.gz IOHYPLLLYFDKRN-SKDRFNHKSA-N 1 0 342.237 2.094 10 10 EECERO COc1cc(Br)cc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863485048 1296302785 /nfs/dbraw/zinc/30/27/85/1296302785.db2.gz SIOWBBDIRSHBSO-BXKDBHETSA-N 1 0 329.238 2.393 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799297269 1305217312 /nfs/dbraw/zinc/21/73/12/1305217312.db2.gz MBDHXXNCHBOEJP-IBGZPJMESA-N 1 0 345.418 2.475 10 10 EECERO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000799314185 1305222571 /nfs/dbraw/zinc/22/25/71/1305222571.db2.gz JIPRGKLZTYXOJD-KUHUBIRLSA-N 1 0 345.418 2.442 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000840269594 1315341412 /nfs/dbraw/zinc/34/14/12/1315341412.db2.gz YMONEHZPXRGFJK-RDJZCZTQSA-N 1 0 332.492 2.385 10 10 EECERO CN(C)c1ccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000841654615 1315591287 /nfs/dbraw/zinc/59/12/87/1315591287.db2.gz OMDSHURNEUNXTB-UHFFFAOYSA-N 1 0 341.459 2.127 10 10 EECERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707155 1315601375 /nfs/dbraw/zinc/60/13/75/1315601375.db2.gz OIDKCENTCNJKFF-YOEHRIQHSA-N 1 0 348.516 2.037 10 10 EECERO CN1CCCc2cc(CNC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000841759758 1315609576 /nfs/dbraw/zinc/60/95/76/1315609576.db2.gz PPFVEFOMXZUOIO-FQEVSTJZSA-N 1 0 342.487 2.354 10 10 EECERO CN1CCCc2cc(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000841759761 1315609839 /nfs/dbraw/zinc/60/98/39/1315609839.db2.gz PPFVEFOMXZUOIO-HXUWFJFHSA-N 1 0 342.487 2.354 10 10 EECERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC000843117621 1315847325 /nfs/dbraw/zinc/84/73/25/1315847325.db2.gz RCYNNEDIBSTITH-OAHLLOKOSA-N 1 0 342.395 2.276 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[C@H](C)C2)cc1C ZINC001279848953 1324013807 /nfs/dbraw/zinc/01/38/07/1324013807.db2.gz WIVHQQZKMQSXMD-MAUKXSAKSA-N 1 0 348.487 2.350 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[C@H]2CCOC2)cc1C ZINC001317230583 1332145781 /nfs/dbraw/zinc/14/57/81/1332145781.db2.gz BBJLRIDUHCPEPH-CVEARBPZSA-N 1 0 334.460 2.415 10 10 EECERO CC[C@@H](CNC(=O)c1c[nH]nc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318554309 1332560116 /nfs/dbraw/zinc/56/01/16/1332560116.db2.gz GOJQWDPWWKLYIU-HNNXBMFYSA-N 1 0 330.432 2.333 10 10 EECERO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](O)C(F)F ZINC001324662610 1333733845 /nfs/dbraw/zinc/73/38/45/1333733845.db2.gz MMCJYGYWGXMCCE-GOEBONIOSA-N 1 0 345.409 2.072 10 10 EECERO C[C@@H]([NH2+]CCOCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC001325887396 1333985595 /nfs/dbraw/zinc/98/55/95/1333985595.db2.gz CJJGCAQRVYWKST-CQSZACIVSA-N 1 0 342.867 2.226 10 10 EECERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327953098 1334369490 /nfs/dbraw/zinc/36/94/90/1334369490.db2.gz UFXNDVAMIOQCIM-AEFFLSMTSA-N 1 0 335.467 2.170 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cncnc2)cc1C ZINC001329013220 1334568610 /nfs/dbraw/zinc/56/86/10/1334568610.db2.gz GYUOPAAPQAGFPB-KBPBESRZSA-N 1 0 328.416 2.090 10 10 EECERO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)c1 ZINC001610392166 1352215264 /nfs/dbraw/zinc/21/52/64/1352215264.db2.gz GJSMIGKOJFHOEW-UONOGXRCSA-N 1 0 341.411 2.500 10 10 EECERO COc1cc(Br)cc(CN[C@@H](C[NH3+])C(F)(F)F)c1O ZINC000848716149 1338746251 /nfs/dbraw/zinc/74/62/51/1338746251.db2.gz UEYRGGCMPSSCDM-VIFPVBQESA-N 1 0 343.143 2.143 10 10 EECERO C[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccccc1O ZINC001644182951 1352759463 /nfs/dbraw/zinc/75/94/63/1352759463.db2.gz CCSYGDAABQECFS-JTQLQIEISA-N 1 0 333.413 2.232 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)n2cccn2)cc1C ZINC001698741878 1405041214 /nfs/dbraw/zinc/04/12/14/1405041214.db2.gz YFJVDZBUQWHEOK-GDBMZVCRSA-N 1 0 344.459 2.303 10 10 EECERO [NH3+]CCc1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000846672316 790360144 /nfs/dbraw/zinc/36/01/44/790360144.db2.gz DJFFYIJUJWHQQB-UHFFFAOYSA-N 1 0 325.412 2.277 10 10 EECERO Cc1cc(Br)cc(C[N@@H+](C[C@@H](O)CO)C(C)C)c1O ZINC000817417533 784768954 /nfs/dbraw/zinc/76/89/54/784768954.db2.gz JHTGIKUTKBTVGB-CYBMUJFWSA-N 1 0 332.238 2.027 10 10 EECERO Cc1cc(Br)cc(C[NH2+]CC[C@]2(O)CCOC2)c1O ZINC000846047712 790036723 /nfs/dbraw/zinc/03/67/23/790036723.db2.gz AOZDROUWOAOIFL-AWEZNQCLSA-N 1 0 330.222 2.094 10 10 EECERO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C1CC1 ZINC000846121959 790056987 /nfs/dbraw/zinc/05/69/87/790056987.db2.gz DUZJKNBEYFDVAY-RBUKOAKNSA-N 1 0 344.455 2.154 10 10 EECERO CC[C@@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788563073 807577950 /nfs/dbraw/zinc/57/79/50/807577950.db2.gz KIBLAJFUWCVLDS-WBVHZDCISA-N 1 0 329.448 2.244 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2c(C)n[nH]c2C)cc1C ZINC001480589164 1100438026 /nfs/dbraw/zinc/43/80/26/1100438026.db2.gz WWTXPBWKJAGDKV-CYBMUJFWSA-N 1 0 344.459 2.181 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccncn2)cc1C ZINC001497289883 1102261437 /nfs/dbraw/zinc/26/14/37/1102261437.db2.gz GSEXXMGYHWBPBR-CQSZACIVSA-N 1 0 328.416 2.092 10 10 EECERO CCn1cccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001521898960 1119282893 /nfs/dbraw/zinc/28/28/93/1119282893.db2.gz LFDMJQCUGRTKAI-UHFFFAOYSA-N 1 0 326.444 2.190 10 10 EECERO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(N2CCOCC2)cc1 ZINC000090453676 237024960 /nfs/dbraw/zinc/02/49/60/237024960.db2.gz LEKYPRPFBNAXHW-PBHICJAKSA-N 1 0 326.444 2.454 10 10 EECERO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295638411 464912815 /nfs/dbraw/zinc/91/28/15/464912815.db2.gz YBIIVDKHZDGAEQ-MRXNPFEDSA-N 1 0 332.444 2.297 10 10 EECERO COc1cc(O)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1OC ZINC000529681685 467895238 /nfs/dbraw/zinc/89/52/38/467895238.db2.gz SSSCYDXATYWZAJ-UHFFFAOYSA-N 1 0 336.432 2.148 10 10 EECERO C[NH+]1CCN(c2ccc([C@H]3Nc4cc(F)ccc4C(=O)N3)cc2)CC1 ZINC000771520230 577216719 /nfs/dbraw/zinc/21/67/19/577216719.db2.gz GVYSOGNVHGQDBJ-SFHVURJKSA-N 1 0 340.402 2.432 10 10 EECERO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747622720 577947025 /nfs/dbraw/zinc/94/70/25/577947025.db2.gz VQDCBPPGBLSJPV-IBGZPJMESA-N 1 0 345.487 2.402 10 10 EECERO COc1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)sn1 ZINC001266939533 1177853865 /nfs/dbraw/zinc/85/38/65/1177853865.db2.gz JYDRUSPWZYCMGN-LBPRGKRZSA-N 1 0 349.456 2.377 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCOC3)CC2)cc1C ZINC001269383776 1184223083 /nfs/dbraw/zinc/22/30/83/1184223083.db2.gz PFDXBZZOCAJTHY-MRXNPFEDSA-N 1 0 332.444 2.169 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCOC[C@H]3C)CC2)cc1C ZINC001269485031 1184304369 /nfs/dbraw/zinc/30/43/69/1184304369.db2.gz XQMZKIZZIJEHCA-NVXWUHKLSA-N 1 0 346.471 2.415 10 10 EECERO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848536517 1186196843 /nfs/dbraw/zinc/19/68/43/1186196843.db2.gz QUDAUJGDRCWWCC-ONGXEEELSA-N 1 0 348.237 2.211 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@]23C[C@H]2COC3)C(C)C)cc1C ZINC001482530489 1186520499 /nfs/dbraw/zinc/52/04/99/1186520499.db2.gz BKGYTPCDTFOJTG-QKLQHJQFSA-N 1 0 346.471 2.271 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cn(C)cn2)C2CC2)cc1C ZINC001483556571 1190547499 /nfs/dbraw/zinc/54/74/99/1190547499.db2.gz UBFOJTIFVGKHEE-MRXNPFEDSA-N 1 0 342.443 2.035 10 10 EECERO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1O ZINC000868310208 1201788966 /nfs/dbraw/zinc/78/89/66/1201788966.db2.gz RCBQUQRTCUQNAR-ZDUSSCGKSA-N 1 0 341.411 2.318 10 10 EECERO CCN(CC)c1ccc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc1 ZINC000886322057 1202492099 /nfs/dbraw/zinc/49/20/99/1202492099.db2.gz KHLFLYIRVXCIFF-UHFFFAOYSA-N 1 0 339.505 2.046 10 10 EECERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cc3c(cc1O)OCO3)O2 ZINC000886340810 1202494575 /nfs/dbraw/zinc/49/45/75/1202494575.db2.gz LTEIWBNQLGLIMP-AZGFTEDZSA-N 1 0 335.400 2.183 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2cnc(C)o2)cc1C ZINC001274088343 1204364257 /nfs/dbraw/zinc/36/42/57/1204364257.db2.gz GPUARXRSDYJROL-PLNGDYQASA-N 1 0 343.427 2.305 10 10 EECERO COc1cc(Cl)cc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903971410 1242799570 /nfs/dbraw/zinc/79/95/70/1242799570.db2.gz AWXLPNUUMNBOFG-CQSZACIVSA-N 1 0 340.851 2.303 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](OC)C2CCC2)cc1C ZINC001491538902 1259190503 /nfs/dbraw/zinc/19/05/03/1259190503.db2.gz FWLOQMZUOYDOSS-KDOFPFPSSA-N 1 0 334.460 2.413 10 10 EECERO CCC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850346796 1277189022 /nfs/dbraw/zinc/18/90/22/1277189022.db2.gz KHTVKGRAELTPHL-INIZCTEOSA-N 1 0 331.460 2.265 10 10 EECERO CN(C)c1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1F ZINC000850348558 1277191893 /nfs/dbraw/zinc/19/18/93/1277191893.db2.gz OROUFLJVIZXYMQ-NRFANRHFSA-N 1 0 326.359 2.292 10 10 EECERO OC1CCN(c2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)CC1 ZINC000850406469 1277216782 /nfs/dbraw/zinc/21/67/82/1277216782.db2.gz HNUSQENHIYYMBO-UHFFFAOYSA-N 1 0 326.444 2.080 10 10 EECERO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(F)ccc1O ZINC000850520176 1277259269 /nfs/dbraw/zinc/25/92/69/1277259269.db2.gz TUCIQHGRVHNGDN-QMMMGPOBSA-N 1 0 329.315 2.159 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cnc(C)cn2)cc1C ZINC001273824001 1286464303 /nfs/dbraw/zinc/46/43/03/1286464303.db2.gz VLXVVZZNYGPHMC-SNAWJCMRSA-N 1 0 340.427 2.178 10 10 EECERO CCC[N@H+](C)CC(C)(C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000852715444 1292173760 /nfs/dbraw/zinc/17/37/60/1292173760.db2.gz NIEPYDWRWLMGSF-UHFFFAOYSA-N 1 0 334.508 2.079 10 10 EECERO Oc1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCCO1 ZINC000859190073 1294343898 /nfs/dbraw/zinc/34/38/98/1294343898.db2.gz FDQZXEZBFSWHPG-IRXDYDNUSA-N 1 0 335.444 2.039 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(Cl)c1 ZINC000840908654 1315432982 /nfs/dbraw/zinc/43/29/82/1315432982.db2.gz WCSAVRYCKGQBHC-ABAIWWIYSA-N 1 0 326.824 2.079 10 10 EECERO COC(=O)[C@@H](O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840920221 1315436644 /nfs/dbraw/zinc/43/66/44/1315436644.db2.gz STQCLZPBTFFHDC-HNNXBMFYSA-N 1 0 327.808 2.100 10 10 EECERO CN1CCCc2cc(CNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc21 ZINC000841759810 1315609903 /nfs/dbraw/zinc/60/99/03/1315609903.db2.gz QUTONDKPMBWTDK-HDICACEKSA-N 1 0 342.487 2.210 10 10 EECERO Nc1ccc(CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000841955905 1315644120 /nfs/dbraw/zinc/64/41/20/1315644120.db2.gz RAIDMTHORPQMGI-GOSISDBHSA-N 1 0 330.476 2.471 10 10 EECERO COc1ccc(N2CCC([NH2+]CCCc3ncn(C)n3)CC2)cc1 ZINC000842738728 1315765282 /nfs/dbraw/zinc/76/52/82/1315765282.db2.gz TZEAPSLNPCUROR-UHFFFAOYSA-N 1 0 329.448 2.015 10 10 EECERO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299132 1315883717 /nfs/dbraw/zinc/88/37/17/1315883717.db2.gz SJKLLTZXXNMDPI-HNNXBMFYSA-N 1 0 329.448 2.337 10 10 EECERO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)nc2)cc1F ZINC001292277787 1328378399 /nfs/dbraw/zinc/37/83/99/1328378399.db2.gz GWMLYVLTZRHIQN-UHFFFAOYSA-N 1 0 330.407 2.278 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C2)cc1 ZINC001299769573 1330166893 /nfs/dbraw/zinc/16/68/93/1330166893.db2.gz DPYYWOIUPWFHQX-HOTGVXAUSA-N 1 0 333.476 2.226 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cn2cc(C)cn2)cc1C ZINC001317387095 1332210481 /nfs/dbraw/zinc/21/04/81/1332210481.db2.gz HHYUZFPOMRHVRU-INIZCTEOSA-N 1 0 344.459 2.193 10 10 EECERO CC[C@H](CNC(=O)Cc1ccon1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318511617 1332553746 /nfs/dbraw/zinc/55/37/46/1332553746.db2.gz KYSNWVDSWAYNTR-OAHLLOKOSA-N 1 0 331.416 2.219 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccn3C)CC2)cc1C ZINC001323394482 1333454502 /nfs/dbraw/zinc/45/45/02/1333454502.db2.gz TXFLNAJYJUKXPH-UHFFFAOYSA-N 1 0 327.428 2.394 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@H](O)CCC3(O)CCC3)CC2)cc1 ZINC001334624702 1336276821 /nfs/dbraw/zinc/27/68/21/1336276821.db2.gz FOKQNNNEFIRRNI-GOSISDBHSA-N 1 0 348.487 2.263 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(C)nn2C)cc1C ZINC001567208550 1342712305 /nfs/dbraw/zinc/71/23/05/1342712305.db2.gz PZAWMIINTWIBSQ-AWEZNQCLSA-N 1 0 344.459 2.344 10 10 EECERO COCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001569526408 1342892686 /nfs/dbraw/zinc/89/26/86/1342892686.db2.gz GAQWSBBPJNVONB-DOMZBBRYSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cn2nccc2C)cc1C ZINC001676435451 1357150740 /nfs/dbraw/zinc/15/07/40/1357150740.db2.gz QNDGTYFUFOMKPQ-OAHLLOKOSA-N 1 0 344.459 2.145 10 10 EECERO COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001644183108 1352759351 /nfs/dbraw/zinc/75/93/51/1352759351.db2.gz FZHPXKQNMNQHPB-GFCCVEGCSA-N 1 0 343.383 2.400 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@]23CCOC3)cc1 ZINC001655904810 1354189507 /nfs/dbraw/zinc/18/95/07/1354189507.db2.gz COEMYJZHFZJLDQ-LJQANCHMSA-N 1 0 331.460 2.014 10 10 EECERO COC(=O)C1=C(C)O[C@H](C[N@H+](C)CCN(C)c2ccc(OC)cc2)C1 ZINC001659281026 1354378456 /nfs/dbraw/zinc/37/84/56/1354378456.db2.gz NRKQSDGLQLFSKC-KRWDZBQOSA-N 1 0 348.443 2.299 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2csc(=O)[nH]2)cc1C ZINC001662314534 1354779748 /nfs/dbraw/zinc/77/97/48/1354779748.db2.gz MESZFIDEZIJCGH-NSHDSACASA-N 1 0 335.429 2.074 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)n2cccn2)cc1C ZINC001667983140 1355840332 /nfs/dbraw/zinc/84/03/32/1355840332.db2.gz NWUPWJVJQHBICY-CVEARBPZSA-N 1 0 344.459 2.446 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1n[nH]cc1F ZINC001668545759 1355960701 /nfs/dbraw/zinc/96/07/01/1355960701.db2.gz FZNFYXKHEFJDBL-UHFFFAOYSA-N 1 0 334.395 2.118 10 10 EECERO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC001674331574 1356819598 /nfs/dbraw/zinc/81/95/98/1356819598.db2.gz BTTZQUVOSBZMSR-NVXWUHKLSA-N 1 0 346.475 2.010 10 10 EECERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816599854 784145676 /nfs/dbraw/zinc/14/56/76/784145676.db2.gz BEGYLLKOIMJOBG-PBHICJAKSA-N 1 0 348.468 2.353 10 10 EECERO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000844311694 788978832 /nfs/dbraw/zinc/97/88/32/788978832.db2.gz CUZQUFSJAGXBAN-KDOFPFPSSA-N 1 0 345.443 2.157 10 10 EECERO [NH3+]CC1(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000846189318 790084473 /nfs/dbraw/zinc/08/44/73/790084473.db2.gz SQWVEESDSLWWPC-INIZCTEOSA-N 1 0 347.459 2.212 10 10 EECERO CCN(CC)c1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1F ZINC000922637163 801554276 /nfs/dbraw/zinc/55/42/76/801554276.db2.gz SSPIBWKBPYZJGG-UHFFFAOYSA-N 1 0 345.484 2.089 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC001479478036 1098558926 /nfs/dbraw/zinc/55/89/26/1098558926.db2.gz XPRQMFKLJQKWGW-INIZCTEOSA-N 1 0 348.491 2.115 10 10 EECERO CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480174477 1099755304 /nfs/dbraw/zinc/75/53/04/1099755304.db2.gz PTJNEAMWZNSBTF-UBHSHLNASA-N 1 0 335.383 2.448 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCOC[C@@H]2C)cc1C ZINC001493687094 1108508092 /nfs/dbraw/zinc/50/80/92/1108508092.db2.gz FHMYWVLIYOHNDS-RDJZCZTQSA-N 1 0 334.460 2.224 10 10 EECERO CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c[nH]c2=O)[NH+](C)C)cc1 ZINC001456927076 1109369861 /nfs/dbraw/zinc/36/98/61/1109369861.db2.gz AHVHKNWCHNCLOJ-INIZCTEOSA-N 1 0 346.406 2.025 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+]CCCOC1CCOCC1 ZINC001474020064 1110588430 /nfs/dbraw/zinc/58/84/30/1110588430.db2.gz MPDXBVJSEXZNNB-UHFFFAOYSA-N 1 0 334.460 2.199 10 10 EECERO O=C(NCc1ccc(N2CCSCC2)cc1)C12CCC[NH+]1CCC2 ZINC001544409374 1124152428 /nfs/dbraw/zinc/15/24/28/1124152428.db2.gz OGIWXEMJNXWVQB-UHFFFAOYSA-N 1 0 345.512 2.484 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cnnc(C)c2)cc1C ZINC001568625719 1124641974 /nfs/dbraw/zinc/64/19/74/1124641974.db2.gz DHGJOKHZEHJYQO-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2c[nH]nc2C)C2CC2)cc1C ZINC001569312950 1125224089 /nfs/dbraw/zinc/22/40/89/1125224089.db2.gz MSOONFYNHKWCDS-KRWDZBQOSA-N 1 0 342.443 2.333 10 10 EECERO CC[NH2+][C@@H](C)c1ccc(N2CCNC(=O)C2)c(Br)c1 ZINC000061694440 132805445 /nfs/dbraw/zinc/80/54/45/132805445.db2.gz JAUBSBDLOKNAKK-JTQLQIEISA-N 1 0 326.238 2.056 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000527951461 317291521 /nfs/dbraw/zinc/29/15/21/317291521.db2.gz BPSJQIIOYRCTRP-PCTYZZJISA-N 1 0 348.212 2.484 10 10 EECERO COc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000092075938 462924866 /nfs/dbraw/zinc/92/48/66/462924866.db2.gz KRRLKCUQDUWVNU-INIZCTEOSA-N 1 0 326.396 2.464 10 10 EECERO C[NH+](C)CCCNC1=NC(=O)C(=Cc2ccc3c(c2)CCO3)S1 ZINC000140624975 463345872 /nfs/dbraw/zinc/34/58/72/463345872.db2.gz IXIZMBMCSXPLMU-PTNGSMBKSA-N 1 0 331.441 2.133 10 10 EECERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000185502886 463834706 /nfs/dbraw/zinc/83/47/06/463834706.db2.gz SWIXCRPMKDGVMH-MWLCHTKSSA-N 1 0 327.222 2.426 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000179784158 464187620 /nfs/dbraw/zinc/18/76/20/464187620.db2.gz LGMVCPCEIKJTLU-QGZVFWFLSA-N 1 0 326.396 2.464 10 10 EECERO COc1ccc(O)c(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000180095583 464241036 /nfs/dbraw/zinc/24/10/36/464241036.db2.gz NBKDUZSSEFXDCB-UHFFFAOYSA-N 1 0 344.459 2.194 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266283454 464770551 /nfs/dbraw/zinc/77/05/51/464770551.db2.gz UVDUVXDWAIOCCT-ZKKXHLJNSA-N 1 0 343.383 2.232 10 10 EECERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000372282052 466275069 /nfs/dbraw/zinc/27/50/69/466275069.db2.gz LBWYBRNTXXATMB-CABCVRRESA-N 1 0 338.423 2.434 10 10 EECERO C[C@H]([NH2+]CCc1nnnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000772465471 577274173 /nfs/dbraw/zinc/27/41/73/577274173.db2.gz JDAQZAJPSOLIJC-HNNXBMFYSA-N 1 0 328.464 2.484 10 10 EECERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000774686123 577411160 /nfs/dbraw/zinc/41/11/60/577411160.db2.gz AIDCFROILRSMHR-DLBZAZTESA-N 1 0 333.428 2.423 10 10 EECERO CCS(=O)(=O)N1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840873385 679412827 /nfs/dbraw/zinc/41/28/27/679412827.db2.gz AEECTEAETIDAKN-UHFFFAOYSA-N 1 0 346.880 2.258 10 10 EECERO COc1cc(C)cc(C[NH2+]CCOCC(=O)OC(C)(C)C)c1O ZINC000895440448 684601357 /nfs/dbraw/zinc/60/13/57/684601357.db2.gz TZNUKLAROLUOEP-UHFFFAOYSA-N 1 0 325.405 2.157 10 10 EECERO Nc1cc[nH+]cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188101704 684617391 /nfs/dbraw/zinc/61/73/91/684617391.db2.gz KUIXMBYJGUVZFT-UHFFFAOYSA-N 1 0 328.441 2.147 10 10 EECERO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000895706580 684691269 /nfs/dbraw/zinc/69/12/69/684691269.db2.gz HFCRYZABWFLBNS-IBGZPJMESA-N 1 0 327.380 2.169 10 10 EECERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](C)OC)C2)cc1C ZINC001691212350 1177717159 /nfs/dbraw/zinc/71/71/59/1177717159.db2.gz MACHOQSQTZCHHK-BHYGNILZSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)n2cccn2)cc1C ZINC001691264695 1177791266 /nfs/dbraw/zinc/79/12/66/1177791266.db2.gz BGNFUXPCLYWRBB-HNNXBMFYSA-N 1 0 330.432 2.009 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)n2cccn2)cc1C ZINC001691264696 1177791736 /nfs/dbraw/zinc/79/17/36/1177791736.db2.gz BGNFUXPCLYWRBB-OAHLLOKOSA-N 1 0 330.432 2.009 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCOC3)CC2)cc1C ZINC001269383775 1184222617 /nfs/dbraw/zinc/22/26/17/1184222617.db2.gz PFDXBZZOCAJTHY-INIZCTEOSA-N 1 0 332.444 2.169 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)Cc2ccon2)C(C)C)cc1C ZINC001271821295 1186521658 /nfs/dbraw/zinc/52/16/58/1186521658.db2.gz MTQJYHLNMFFHLJ-KRWDZBQOSA-N 1 0 345.443 2.465 10 10 EECERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841989850 1188216358 /nfs/dbraw/zinc/21/63/58/1188216358.db2.gz RLMDCGPQKYDNIV-DJIMGWMZSA-N 1 0 347.459 2.081 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(C)nn2C)cc1C ZINC001485851030 1193616207 /nfs/dbraw/zinc/61/62/07/1193616207.db2.gz COCCTMYCLQYRDA-OAHLLOKOSA-N 1 0 344.459 2.296 10 10 EECERO COC[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001484626688 1191447609 /nfs/dbraw/zinc/44/76/09/1191447609.db2.gz PVLHKKVJZIYGBC-OAHLLOKOSA-N 1 0 334.460 2.415 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CC1(F)F ZINC000827684399 1248640508 /nfs/dbraw/zinc/64/05/08/1248640508.db2.gz DJIASBVMEJIBPT-QGZVFWFLSA-N 1 0 349.425 2.490 10 10 EECERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000813855991 1199188535 /nfs/dbraw/zinc/18/85/35/1199188535.db2.gz VULJPMWGIJIBLH-GOSISDBHSA-N 1 0 345.487 2.042 10 10 EECERO C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1[O-] ZINC000925856406 1206161840 /nfs/dbraw/zinc/16/18/40/1206161840.db2.gz NRZMXERZIFSYKL-ZYHUDNBSSA-N 1 0 340.370 2.006 10 10 EECERO C[C@@H]1OC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000926558844 1206227405 /nfs/dbraw/zinc/22/74/05/1206227405.db2.gz JXMVMEDSHDRMQL-BFQNTYOBSA-N 1 0 326.387 2.314 10 10 EECERO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C1(O)CCC1 ZINC000929755365 1206498471 /nfs/dbraw/zinc/49/84/71/1206498471.db2.gz MMQHLJAEMHQDCS-CQSZACIVSA-N 1 0 344.249 2.253 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902761354 1238459653 /nfs/dbraw/zinc/45/96/53/1238459653.db2.gz OHMHCTYHJIQNLW-CENDIDJXSA-N 1 0 328.456 2.426 10 10 EECERO COc1ccc(N2CCC([NH2+]CC[C@H]3CC(=O)N(C)C3)CC2)cc1 ZINC000903217979 1240032646 /nfs/dbraw/zinc/03/26/46/1240032646.db2.gz HGJFSILQCWKZNY-HNNXBMFYSA-N 1 0 331.460 2.122 10 10 EECERO COc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c1 ZINC000827098382 1249888351 /nfs/dbraw/zinc/88/83/51/1249888351.db2.gz GLKBGIGZRLGBPD-AUUYWEPGSA-N 1 0 349.427 2.191 10 10 EECERO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1O ZINC000850545660 1277264655 /nfs/dbraw/zinc/26/46/55/1277264655.db2.gz DHVWDSSEMXMIQN-KOLCDFICSA-N 1 0 327.222 2.392 10 10 EECERO CN(C)c1ccc(CNCC2([NH3+])CCOCC2)c(C(F)(F)F)c1 ZINC000863645474 1296362373 /nfs/dbraw/zinc/36/23/73/1296362373.db2.gz IDSAWKCEUDQGIZ-UHFFFAOYSA-N 1 0 331.382 2.369 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3cncs3)CC2)cc1C ZINC001277088005 1301216066 /nfs/dbraw/zinc/21/60/66/1301216066.db2.gz OZXTVDDEASVZJC-UHFFFAOYSA-N 1 0 345.468 2.441 10 10 EECERO CN1CCCc2cc(CNC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)ccc21 ZINC000841759288 1315609184 /nfs/dbraw/zinc/60/91/84/1315609184.db2.gz MELKYPLVQGOJEY-KRWDZBQOSA-N 1 0 328.460 2.105 10 10 EECERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841978527 1315646725 /nfs/dbraw/zinc/64/67/25/1315646725.db2.gz WVFBBNUHXBFAQB-DJIMGWMZSA-N 1 0 347.459 2.081 10 10 EECERO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000842010563 1315650991 /nfs/dbraw/zinc/65/09/91/1315650991.db2.gz MRZVRKNNRVJVJL-SKDRFNHKSA-N 1 0 342.237 2.081 10 10 EECERO C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842898417 1315795013 /nfs/dbraw/zinc/79/50/13/1315795013.db2.gz AAQDCRAWHUABBR-AWEZNQCLSA-N 1 0 347.438 2.074 10 10 EECERO COc1c(O)c(CN(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000843121650 1315847651 /nfs/dbraw/zinc/84/76/51/1315847651.db2.gz FYNVJWWNTGQUDG-UHFFFAOYSA-N 1 0 345.399 2.312 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001282205899 1325650980 /nfs/dbraw/zinc/65/09/80/1325650980.db2.gz ZMFIXSWBUALQEB-KGLIPLIRSA-N 1 0 330.432 2.332 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)CC2CC(C)(C)C2)cc1C ZINC001283797475 1326261696 /nfs/dbraw/zinc/26/16/96/1326261696.db2.gz OXYBNOLMUJKJMX-QGZVFWFLSA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](O)C(C)C)C2)cc1C ZINC001316649540 1328328767 /nfs/dbraw/zinc/32/87/67/1328328767.db2.gz HNJUGKIDWQKDIT-YQVWRLOYSA-N 1 0 348.487 2.395 10 10 EECERO COCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317060057 1332065030 /nfs/dbraw/zinc/06/50/30/1332065030.db2.gz SWXATPHADLLGGL-INIZCTEOSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)c2cnon2)C2CC2)cc1C ZINC001318726489 1332583626 /nfs/dbraw/zinc/58/36/26/1332583626.db2.gz GMOMBXJDWZOOJL-GOSISDBHSA-N 1 0 344.415 2.075 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccnnc1 ZINC001320852343 1332965092 /nfs/dbraw/zinc/96/50/92/1332965092.db2.gz NQBUPPBDLZEJFJ-UHFFFAOYSA-N 1 0 328.416 2.046 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2[nH]cnc2C)cc1C ZINC001321445935 1333106916 /nfs/dbraw/zinc/10/69/16/1333106916.db2.gz XWCLPLQIXIIJMR-PLNGDYQASA-N 1 0 328.416 2.111 10 10 EECERO CO[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001324285192 1333649538 /nfs/dbraw/zinc/64/95/38/1333649538.db2.gz FYDPNMRITDVQEP-IUODEOHRSA-N 1 0 347.419 2.078 10 10 EECERO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2COCC3)cc1 ZINC001328437688 1334458768 /nfs/dbraw/zinc/45/87/68/1334458768.db2.gz RPDKXPSIKXNTBY-IBGZPJMESA-N 1 0 339.439 2.255 10 10 EECERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC001329307710 1334624379 /nfs/dbraw/zinc/62/43/79/1334624379.db2.gz SUIGPVZCCZLCHD-VBHSOAQHSA-N 1 0 332.400 2.060 10 10 EECERO CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CCS(=O)(=O)C1 ZINC001333162791 1335973861 /nfs/dbraw/zinc/97/38/61/1335973861.db2.gz HELYMCXWUVEDNQ-XNJGSVPQSA-N 1 0 339.457 2.042 10 10 EECERO CC1CCC([NH+]2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001617555794 1352342193 /nfs/dbraw/zinc/34/21/93/1352342193.db2.gz GAZPIVUXLSTBMY-UHFFFAOYSA-N 1 0 332.444 2.363 10 10 EECERO CCOCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001571527691 1343229485 /nfs/dbraw/zinc/22/94/85/1343229485.db2.gz CCUJQODJGYWJBV-IAGOWNOFSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2nccc2C)cc1C ZINC001676435449 1357150600 /nfs/dbraw/zinc/15/06/00/1357150600.db2.gz QNDGTYFUFOMKPQ-HNNXBMFYSA-N 1 0 344.459 2.145 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)c(O)c3)cc2)CC1 ZINC001651023562 1354037034 /nfs/dbraw/zinc/03/70/34/1354037034.db2.gz BDYIKVICJKILPO-UHFFFAOYSA-N 1 0 343.402 2.213 10 10 EECERO C[C@H](CN1CCOCC1)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001652842085 1354105573 /nfs/dbraw/zinc/10/55/73/1354105573.db2.gz IIYHWYMTEXRYAE-MJGOQNOKSA-N 1 0 348.487 2.342 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(C)=C2CCC2)cc1C ZINC001667821126 1355818768 /nfs/dbraw/zinc/81/87/68/1355818768.db2.gz YORUJQRCUFHBRQ-QGZVFWFLSA-N 1 0 332.444 2.071 10 10 EECERO COc1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001669606062 1356182249 /nfs/dbraw/zinc/18/22/49/1356182249.db2.gz GDXZPBKAMQWRDZ-AWEZNQCLSA-N 1 0 343.427 2.315 10 10 EECERO COc1cc(C(=O)N(C)CCC[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001670071800 1356271180 /nfs/dbraw/zinc/27/11/80/1356271180.db2.gz ATKZIZDTNFYGED-UHFFFAOYSA-N 1 0 347.415 2.252 10 10 EECERO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001136025369 785017396 /nfs/dbraw/zinc/01/73/96/785017396.db2.gz HQODNWYWQTXUKW-KRWDZBQOSA-N 1 0 345.487 2.214 10 10 EECERO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824559139 788214930 /nfs/dbraw/zinc/21/49/30/788214930.db2.gz HKNWYOPHOMHOKQ-CQSZACIVSA-N 1 0 332.238 2.340 10 10 EECERO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785575314 806525228 /nfs/dbraw/zinc/52/52/28/806525228.db2.gz STEGVLZIJXXFAO-YPMLDQLKSA-N 1 0 345.351 2.061 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C(=O)OC)C2)c1O ZINC000917480471 798236035 /nfs/dbraw/zinc/23/60/35/798236035.db2.gz NIFOYPKSTLGTCQ-ZDUSSCGKSA-N 1 0 343.379 2.327 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn(CCF)c3)C2)cc1 ZINC000922197642 799780079 /nfs/dbraw/zinc/78/00/79/799780079.db2.gz WKVQCGKQGSONKR-OAHLLOKOSA-N 1 0 332.423 2.477 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2csnn2)cc1C ZINC001568663425 1124677484 /nfs/dbraw/zinc/67/74/84/1124677484.db2.gz YZEZHVSOUFONND-GFCCVEGCSA-N 1 0 334.445 2.153 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCCO2)cc1C ZINC001568835688 1124854858 /nfs/dbraw/zinc/85/48/58/1124854858.db2.gz FBKCRLJXIHLKMU-WRFKIARRSA-N 1 0 332.444 2.335 10 10 EECERO Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1O ZINC000279383040 464096056 /nfs/dbraw/zinc/09/60/56/464096056.db2.gz JIGQQNMEFPZMNR-OAHLLOKOSA-N 1 0 339.233 2.175 10 10 EECERO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1O ZINC000187321797 464117071 /nfs/dbraw/zinc/11/70/71/464117071.db2.gz DXEZGFPZGMJQAI-DGCLKSJQSA-N 1 0 343.265 2.444 10 10 EECERO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccccc1O ZINC000179879648 464202533 /nfs/dbraw/zinc/20/25/33/464202533.db2.gz PVALBECMDMJKAG-QAPCUYQASA-N 1 0 326.440 2.462 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000265008702 464506545 /nfs/dbraw/zinc/50/65/45/464506545.db2.gz WRCHHKQFRKTELW-DYLGSBMWSA-N 1 0 333.388 2.169 10 10 EECERO O=C(Nc1nncs1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000368040611 466570720 /nfs/dbraw/zinc/57/07/20/466570720.db2.gz JLYSOZJETNPKTI-UHFFFAOYSA-N 1 0 336.392 2.234 10 10 EECERO COc1ccc(N2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000583623911 468730764 /nfs/dbraw/zinc/73/07/64/468730764.db2.gz XLDGEEFYNUMDLE-OAHLLOKOSA-N 1 0 349.450 2.263 10 10 EECERO CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000732458363 577181098 /nfs/dbraw/zinc/18/10/98/577181098.db2.gz WWZSJIYFNHKMPD-OAHLLOKOSA-N 1 0 334.439 2.270 10 10 EECERO CCOc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000775360865 577435901 /nfs/dbraw/zinc/43/59/01/577435901.db2.gz NCPPNQJWVZDGFC-UHFFFAOYSA-N 1 0 343.427 2.312 10 10 EECERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656941 577862065 /nfs/dbraw/zinc/86/20/65/577862065.db2.gz PPMANOJFNXDIDZ-ZBFHGGJFSA-N 1 0 342.443 2.276 10 10 EECERO COC(=O)c1c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2cc(F)ccc2n1C ZINC000894580743 682980002 /nfs/dbraw/zinc/98/00/02/682980002.db2.gz MUYZOVMWGGZPSP-BETUJISGSA-N 1 0 345.418 2.097 10 10 EECERO COc1cc(C)cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1O ZINC000895231914 684313092 /nfs/dbraw/zinc/31/30/92/684313092.db2.gz WHBXPDQFYVYGFM-OAQYLSRUSA-N 1 0 325.352 2.110 10 10 EECERO CCc1nc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001691298939 1177852549 /nfs/dbraw/zinc/85/25/49/1177852549.db2.gz CSZCUFWRBJKVIT-UHFFFAOYSA-N 1 0 331.416 2.416 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnc(C)[nH]3)CC2)cc1C ZINC001670759057 1178949361 /nfs/dbraw/zinc/94/93/61/1178949361.db2.gz GEXUGMHSHOBJSG-UHFFFAOYSA-N 1 0 328.416 2.087 10 10 EECERO CCn1ccnc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268685223 1183606137 /nfs/dbraw/zinc/60/61/37/1183606137.db2.gz GRUGJBCARFNLLT-AWEZNQCLSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccc(=O)[nH]2)cc1C ZINC001483120019 1188557573 /nfs/dbraw/zinc/55/75/73/1188557573.db2.gz VXAKLWKXOXKBSZ-CYBMUJFWSA-N 1 0 329.400 2.012 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2[nH]cnc2C)cc1C ZINC001485963289 1193655259 /nfs/dbraw/zinc/65/52/59/1193655259.db2.gz CXSRCASFZWEKOD-CYBMUJFWSA-N 1 0 330.432 2.285 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cc[nH]c(=O)c2)cc1C ZINC001483460331 1190485934 /nfs/dbraw/zinc/48/59/34/1190485934.db2.gz WMHWFAAHTKNCEJ-UHFFFAOYSA-N 1 0 343.427 2.356 10 10 EECERO COCC1(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001484893121 1191566560 /nfs/dbraw/zinc/56/65/60/1191566560.db2.gz WJLDEQPZMGQVAK-DOTOQJQBSA-N 1 0 346.471 2.367 10 10 EECERO C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)c1ccc(N2CCOCC2)cc1 ZINC000870874324 1200923900 /nfs/dbraw/zinc/92/39/00/1200923900.db2.gz FUHYBXDGPTZJFU-SHPPYHEDSA-N 1 0 343.471 2.233 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2[nH]cnc2C)cc1C ZINC001275554985 1205409906 /nfs/dbraw/zinc/40/99/06/1205409906.db2.gz ZTUCMGRPQJQHNW-KGLIPLIRSA-N 1 0 344.459 2.261 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@]2(C)CCOC2)cc1C ZINC001276297509 1205873100 /nfs/dbraw/zinc/87/31/00/1205873100.db2.gz KPZFXHJLYISTFF-LJQANCHMSA-N 1 0 334.460 2.368 10 10 EECERO C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccnc1 ZINC000928835162 1206426054 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334.460 2.151 10 10 EECERO CC(C)c1ncc2c(n1)CCN(Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000527614495 317230302 /nfs/dbraw/zinc/23/03/02/317230302.db2.gz BHJWMBWWEHTTPQ-QGZVFWFLSA-N 1 0 341.411 2.290 10 10 EECERO Cc1nc(CN2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000127946430 462597438 /nfs/dbraw/zinc/59/74/38/462597438.db2.gz AJWVBJMVPJWNEV-UHFFFAOYSA-N 1 0 330.432 2.408 10 10 EECERO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093530997 463040289 /nfs/dbraw/zinc/04/02/89/463040289.db2.gz VCXMRKBMPPPTIJ-QGZVFWFLSA-N 1 0 346.452 2.183 10 10 EECERO CCCCOC[C@@H](O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000195182734 464013921 /nfs/dbraw/zinc/01/39/21/464013921.db2.gz RAOLIQURNKUYNN-INIZCTEOSA-N 1 0 340.439 2.134 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172631895 464121216 /nfs/dbraw/zinc/12/12/16/464121216.db2.gz QOGHNBHGRWAINK-GOSISDBHSA-N 1 0 326.444 2.052 10 10 EECERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180960191 464427452 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339.233 2.398 10 10 EECERO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000120839718 683179222 /nfs/dbraw/zinc/17/92/22/683179222.db2.gz FUOUMFQALQKSQO-INIZCTEOSA-N 1 0 332.444 2.080 10 10 EECERO COc1cc(C)cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1O ZINC000895231913 684313139 /nfs/dbraw/zinc/31/31/39/684313139.db2.gz WHBXPDQFYVYGFM-NRFANRHFSA-N 1 0 325.352 2.110 10 10 EECERO CCc1cccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1O ZINC000895614828 684663571 /nfs/dbraw/zinc/66/35/71/684663571.db2.gz WJNWVTUKDUZVID-UHFFFAOYSA-N 1 0 340.489 2.295 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1OC ZINC000895751963 684710703 /nfs/dbraw/zinc/71/07/03/684710703.db2.gz AILHHSPGBHBWFG-OAHLLOKOSA-N 1 0 335.375 2.242 10 10 EECERO COCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266772841 1177396681 /nfs/dbraw/zinc/39/66/81/1177396681.db2.gz SQAJMXUREPIDKE-QGZVFWFLSA-N 1 0 334.460 2.368 10 10 EECERO CCc1c[nH]c(CC(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001266951763 1177883460 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COc1ccc(N2CCC(NC(=O)CCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000870879044 1200927442 /nfs/dbraw/zinc/92/74/42/1200927442.db2.gz QJKDQXSXYSCAJC-UHFFFAOYSA-N 1 0 343.471 2.312 10 10 EECERO CC[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001276010295 1205634115 /nfs/dbraw/zinc/63/41/15/1205634115.db2.gz GASBLCCWZDPBFV-WFASDCNBSA-N 1 0 349.435 2.324 10 10 EECERO Oc1ccccc1C[N@H+](C[C@@H](O)C1(O)CCCC1)C[C@@H]1CCCO1 ZINC000929970122 1206523478 /nfs/dbraw/zinc/52/34/78/1206523478.db2.gz IPCNCUMUSVRDKF-FUHWJXTLSA-N 1 0 335.444 2.039 10 10 EECERO CO[C@@]1(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CCS(=O)(=O)C1 ZINC000903365400 1240319574 /nfs/dbraw/zinc/31/95/74/1240319574.db2.gz NABPOGHQIQKMPX-SCLBCKFNSA-N 1 0 349.452 2.400 10 10 EECERO CCN(CC)c1ccc(CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000827340994 1247922956 /nfs/dbraw/zinc/92/29/56/1247922956.db2.gz OJIMSHLZPSKBKN-UHFFFAOYSA-N 1 0 333.476 2.436 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](C[NH2+]CCF)C2)cc1 ZINC001491191900 1258757715 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343.471 2.311 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1C ZINC000858305835 1294077426 /nfs/dbraw/zinc/07/74/26/1294077426.db2.gz DELGNICYIVQWTB-IBGZPJMESA-N 1 0 341.455 2.395 10 10 EECERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000862551559 1295877242 /nfs/dbraw/zinc/87/72/42/1295877242.db2.gz OIMADZOEYISKKK-CQSZACIVSA-N 1 0 348.468 2.307 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2c(C)cnn2C)cc1C ZINC001277908314 1305051726 /nfs/dbraw/zinc/05/17/26/1305051726.db2.gz SOVCYMLCYQYAIX-OAHLLOKOSA-N 1 0 344.459 2.296 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841709679 1315602167 /nfs/dbraw/zinc/60/21/67/1315602167.db2.gz KRTHZLCEARDZGQ-HNNXBMFYSA-N 1 0 338.402 2.083 10 10 EECERO COc1ncncc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000842673607 1315750987 /nfs/dbraw/zinc/75/09/87/1315750987.db2.gz DERCOEAUTCJNNS-AWEZNQCLSA-N 1 0 328.416 2.173 10 10 EECERO O=S1(=O)C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)Oc2ccccc21 ZINC000842883530 1315791532 /nfs/dbraw/zinc/79/15/32/1315791532.db2.gz KAAGOMZEJOQGJW-ZIAGYGMSSA-N 1 0 345.420 2.204 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1O ZINC000842884873 1315791741 /nfs/dbraw/zinc/79/17/41/1315791741.db2.gz UVTUOKSKVASNLT-CHWSQXEVSA-N 1 0 333.409 2.278 10 10 EECERO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@H+](C)Cc1ccccc1 ZINC001293471520 1328726723 /nfs/dbraw/zinc/72/67/23/1328726723.db2.gz WGBJTASJHBGNFH-CQSZACIVSA-N 1 0 328.412 2.277 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3c[nH]cn3)CCC2)cc1C ZINC001280507629 1324262918 /nfs/dbraw/zinc/26/29/18/1324262918.db2.gz GZUFCVIILPFPOE-UHFFFAOYSA-N 1 0 342.443 2.098 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCOC2)C2CC2)cc1C ZINC001276554171 1324312373 /nfs/dbraw/zinc/31/23/73/1324312373.db2.gz XKRLZFNFESHCMB-ZWKOTPCHSA-N 1 0 346.471 2.415 10 10 EECERO CO[C@](C)(CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000848921417 1338807522 /nfs/dbraw/zinc/80/75/22/1338807522.db2.gz ATCHAOPGRWASIC-IBGZPJMESA-N 1 0 331.412 2.458 10 10 EECERO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001560144156 1342508000 /nfs/dbraw/zinc/50/80/00/1342508000.db2.gz UGNODBVKDZDLCP-OAHLLOKOSA-N 1 0 326.444 2.441 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)CC2(O)CCC2)C2CC2)cc1C ZINC001566708615 1342609285 /nfs/dbraw/zinc/60/92/85/1342609285.db2.gz KPTQJZAAESHPKA-QGZVFWFLSA-N 1 0 346.471 2.293 10 10 EECERO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001636120064 1352659313 /nfs/dbraw/zinc/65/93/13/1352659313.db2.gz RDIQXPYRDPAIFG-KRWDZBQOSA-N 1 0 340.423 2.339 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cnc(C)n2C)cc1C ZINC001666605799 1355552573 /nfs/dbraw/zinc/55/25/73/1355552573.db2.gz OPKGOEUDDKLOTM-CYBMUJFWSA-N 1 0 344.459 2.201 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2ccc[nH]2)cc1C ZINC001666666785 1355562297 /nfs/dbraw/zinc/56/22/97/1355562297.db2.gz ICTKKHSCODKYOP-AWEZNQCLSA-N 1 0 329.444 2.416 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(C)C)cc1C ZINC001667826635 1355819766 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EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cc(C)n[nH]2)cc1C ZINC001568161446 1124334924 /nfs/dbraw/zinc/33/49/24/1124334924.db2.gz QMYYVZBHMHISSL-LBPRGKRZSA-N 1 0 330.432 2.191 10 10 EECERO CCc1n[nH]cc1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568178760 1124341941 /nfs/dbraw/zinc/34/19/41/1124341941.db2.gz HLNGGIPLLQNZKG-ZDUSSCGKSA-N 1 0 344.459 2.445 10 10 EECERO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000328634051 258026662 /nfs/dbraw/zinc/02/66/62/258026662.db2.gz MLMVNKCPPSAMOK-APWZRJJASA-N 1 0 326.444 2.422 10 10 EECERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)cc1O ZINC000185974270 463915462 /nfs/dbraw/zinc/91/54/62/463915462.db2.gz QCGGQCIKQBVIJG-PWSUYJOCSA-N 1 0 329.238 2.136 10 10 EECERO CCOCC[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1CC ZINC000181093588 464444627 /nfs/dbraw/zinc/44/46/27/464444627.db2.gz LWAFKOSIHIUDSU-BVBGJJFLSA-N 1 0 348.443 2.070 10 10 EECERO COc1cc(O)c(C[NH2+]C2(CO)Cc3ccccc3C2)cc1OC ZINC000360061903 465527592 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COCC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000787333882 692443767 /nfs/dbraw/zinc/44/37/67/692443767.db2.gz DMVJTQWTVIIPCO-ZDUSSCGKSA-N 1 0 330.222 2.392 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cc(C)nn2C)cc1C ZINC001268349857 1182306813 /nfs/dbraw/zinc/30/68/13/1182306813.db2.gz RZPHXKPMAJSZJK-AWEZNQCLSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)cc1C ZINC001268374607 1182382626 /nfs/dbraw/zinc/38/26/26/1182382626.db2.gz IHGQFYOQRRUUSI-LBPRGKRZSA-N 1 0 346.431 2.039 10 10 EECERO CC[C@H](F)C[NH2+]C/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268632789 1183560864 /nfs/dbraw/zinc/56/08/64/1183560864.db2.gz KJOYZRQAJYHVBE-LRWFYRMDSA-N 1 0 335.383 2.473 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCOC2)cc1C ZINC001482263804 1184836460 /nfs/dbraw/zinc/83/64/60/1184836460.db2.gz BIVBAYCPTXBVIL-NVXWUHKLSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC23CC3)cc1C ZINC001482742863 1187700977 /nfs/dbraw/zinc/70/09/77/1187700977.db2.gz URMSTJLMGMQKNX-IAGOWNOFSA-N 1 0 346.471 2.151 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C2CCCCC2)cc1C ZINC001485968526 1193656520 /nfs/dbraw/zinc/65/65/20/1193656520.db2.gz FZUGPPXDWZRMKY-QGZVFWFLSA-N 1 0 334.460 2.151 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cc(C)nn2C)cc1C ZINC001485128712 1191663281 /nfs/dbraw/zinc/66/32/81/1191663281.db2.gz QZZQARGHRRTSHR-HUUCEWRRSA-N 1 0 344.459 2.342 10 10 EECERO c1csc(SCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)n1 ZINC000865468792 1198234449 /nfs/dbraw/zinc/23/44/49/1198234449.db2.gz KHEXFJLVMLCXAO-LBPRGKRZSA-N 1 0 339.490 2.043 10 10 EECERO OC1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCC4)cc2F)CC1 ZINC000925500389 1206119862 /nfs/dbraw/zinc/11/98/62/1206119862.db2.gz FACBJFYKYSELMM-GOSISDBHSA-N 1 0 333.451 2.161 10 10 EECERO O=C(NCc1c(O)cccc1F)C1CCC([NH+]2CCOCC2)CC1 ZINC000928710480 1206414133 /nfs/dbraw/zinc/41/41/33/1206414133.db2.gz SZFJQWCQDQAXOA-UHFFFAOYSA-N 1 0 336.407 2.039 10 10 EECERO C[C@@H]([NH2+]C[C@H](O)CCC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930209863 1206541563 /nfs/dbraw/zinc/54/15/63/1206541563.db2.gz JMBRXXGBSOFPQK-VQIMIIECSA-N 1 0 348.487 2.230 10 10 EECERO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc(N2CCCCC2)cc1 ZINC000903285437 1240174435 /nfs/dbraw/zinc/17/44/35/1240174435.db2.gz KGKSZMXXZRKUAL-XLIONFOSSA-N 1 0 347.503 2.021 10 10 EECERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845056 1248089331 /nfs/dbraw/zinc/08/93/31/1248089331.db2.gz CPVORLQYDMJKKE-NSHDSACASA-N 1 0 337.221 2.268 10 10 EECERO OCC1(CO)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000827474624 1248160662 /nfs/dbraw/zinc/16/06/62/1248160662.db2.gz GZLLMCUSECJGOL-UHFFFAOYSA-N 1 0 343.423 2.148 10 10 EECERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000827544652 1248408151 /nfs/dbraw/zinc/40/81/51/1248408151.db2.gz HHYHIKBVKZZCBG-HPFMTEOYSA-N 1 0 330.476 2.454 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2cncnc2)cc1C ZINC001491528758 1259179788 /nfs/dbraw/zinc/17/97/88/1259179788.db2.gz OBZYRXIVZIENQE-HNNXBMFYSA-N 1 0 342.443 2.021 10 10 EECERO CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1O ZINC000850518784 1277256974 /nfs/dbraw/zinc/25/69/74/1277256974.db2.gz IEFYGDRLQWRODI-NSHDSACASA-N 1 0 325.352 2.410 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCCOC2)C2CC2)cc1C ZINC001490639962 1291505803 /nfs/dbraw/zinc/50/58/03/1291505803.db2.gz CEZQHMTUCFQYAI-QZTJIDSGSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(N2CC[NH+](C[C@H](OC)[C@@H]3CCOC3)CC2)cc1F ZINC000851807825 1291850905 /nfs/dbraw/zinc/85/09/05/1291850905.db2.gz JRSVMFIDBDNWQQ-KDOFPFPSSA-N 1 0 338.423 2.008 10 10 EECERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230057 1293121017 /nfs/dbraw/zinc/12/10/17/1293121017.db2.gz MLFURXMBIXCVAK-QAPCUYQASA-N 1 0 331.460 2.265 10 10 EECERO COc1ccc(N2CC[NH+](CCCNC(=O)C34CC(C3)C4)CC2)cc1 ZINC000858180319 1294034843 /nfs/dbraw/zinc/03/48/43/1294034843.db2.gz QOJWUTRZZBPYBW-UHFFFAOYSA-N 1 0 343.471 2.124 10 10 EECERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000861676514 1295500720 /nfs/dbraw/zinc/50/07/20/1295500720.db2.gz JBDFVHTVKDZJFU-YESZJQIVSA-N 1 0 347.459 2.223 10 10 EECERO O=C1OCC[C@@H]2CN(Cc3c(O)cccc3Br)CCN12 ZINC000862252253 1295771577 /nfs/dbraw/zinc/77/15/77/1295771577.db2.gz DNEUBGZQIHQWTL-SNVBAGLBSA-N 1 0 341.205 2.181 10 10 EECERO COc1cc(O)c(C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1OC ZINC000862527826 1295869213 /nfs/dbraw/zinc/86/92/13/1295869213.db2.gz HSCXFAWZWRAFFS-UHFFFAOYSA-N 1 0 344.367 2.144 10 10 EECERO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(Br)cc(OC)c1O ZINC000863484343 1296301673 /nfs/dbraw/zinc/30/16/73/1296301673.db2.gz WRCFXXWSLDJVJS-NWDGAFQWSA-N 1 0 329.238 2.393 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000841718337 1315603451 /nfs/dbraw/zinc/60/34/51/1315603451.db2.gz RSSUCBXKGFAOIE-OAHLLOKOSA-N 1 0 340.418 2.329 10 10 EECERO COc1cc(Br)cc(CN(C2CC2)[C@H]2CC[NH2+]C2)c1O ZINC000843056227 1315831148 /nfs/dbraw/zinc/83/11/48/1315831148.db2.gz WVAIGXWATNRXRB-ZDUSSCGKSA-N 1 0 341.249 2.490 10 10 EECERO Cc1cc(C(=O)CN2CC[C@H]([NH3+])C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843346719 1315895437 /nfs/dbraw/zinc/89/54/37/1315895437.db2.gz SLQRHACLQFTFQZ-AWEZNQCLSA-N 1 0 341.411 2.039 10 10 EECERO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001158716922 1319396690 /nfs/dbraw/zinc/39/66/90/1319396690.db2.gz IPVFHWVAPABUMS-XFKAJCMBSA-N 1 0 333.476 2.143 10 10 EECERO COc1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)C3CCC3)C2)cc1C ZINC001327541607 1334312258 /nfs/dbraw/zinc/31/22/58/1334312258.db2.gz QPVLRMOKYSKBBQ-HXUWFJFHSA-N 1 0 346.471 2.247 10 10 EECERO COCC[NH2+]C1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001566992194 1342674938 /nfs/dbraw/zinc/67/49/38/1342674938.db2.gz RCNNLMPPGXMNFB-UHFFFAOYSA-N 1 0 347.419 2.126 10 10 EECERO CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001622704089 1352387915 /nfs/dbraw/zinc/38/79/15/1352387915.db2.gz WVMMWASHMQKZEJ-KRWDZBQOSA-N 1 0 340.423 2.373 10 10 EECERO Cc1cccn2cc(CCNC(=O)c3c(F)ccc(O)c3O)nc12 ZINC001648612958 1353436034 /nfs/dbraw/zinc/43/60/34/1353436034.db2.gz RPBZGEHQQAEIRB-UHFFFAOYSA-N 1 0 329.331 2.166 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2oc(C)cc2C)cc1C ZINC001699045920 1405244459 /nfs/dbraw/zinc/24/44/59/1405244459.db2.gz SMVPRBKRGLGEAI-MRXNPFEDSA-N 1 0 346.427 2.094 10 10 EECERO CCOc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(O)c1 ZINC000824517026 788198527 /nfs/dbraw/zinc/19/85/27/788198527.db2.gz OTAZYFZXBVBWRO-CQSZACIVSA-N 1 0 347.436 2.452 10 10 EECERO OC[C@@]1(F)C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1c1ccccc1 ZINC000824635536 788250352 /nfs/dbraw/zinc/25/03/52/788250352.db2.gz HOWBGZIEQCXQBZ-BEFAXECRSA-N 1 0 345.370 2.421 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1F ZINC000922955130 788432142 /nfs/dbraw/zinc/43/21/42/788432142.db2.gz XRCHULFQDABGHN-OAHLLOKOSA-N 1 0 339.430 2.374 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000844311696 788978589 /nfs/dbraw/zinc/97/85/89/788978589.db2.gz CUZQUFSJAGXBAN-RDTXWAMCSA-N 1 0 345.443 2.157 10 10 EECERO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000844404970 789071925 /nfs/dbraw/zinc/07/19/25/789071925.db2.gz RTNFIJKZWKPJOZ-SFHVURJKSA-N 1 0 333.476 2.212 10 10 EECERO O=C(NCc1c(O)cccc1F)NCC1CC[NH+](CC2CC2)CC1 ZINC000923353255 789432196 /nfs/dbraw/zinc/43/21/96/789432196.db2.gz JNLTZXZMPGYABU-UHFFFAOYSA-N 1 0 335.423 2.453 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000922725895 801741107 /nfs/dbraw/zinc/74/11/07/801741107.db2.gz OCNFQDKROCJDTL-ZMYBRWDISA-N 1 0 332.444 2.058 10 10 EECERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805184764 811174875 /nfs/dbraw/zinc/17/48/75/811174875.db2.gz QHYODPIKSTYJDW-LBPRGKRZSA-N 1 0 342.237 2.048 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cncnc1 ZINC001497377251 1102404602 /nfs/dbraw/zinc/40/46/02/1102404602.db2.gz SWSUUIROQQYSBN-UHFFFAOYSA-N 1 0 328.416 2.046 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cnc(C)o2)cc1C ZINC001497827434 1103158178 /nfs/dbraw/zinc/15/81/78/1103158178.db2.gz KGIYEWRTLIRBAB-CYBMUJFWSA-N 1 0 331.416 2.137 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCOC[C@@H]2C)cc1C ZINC001493687092 1108508704 /nfs/dbraw/zinc/50/87/04/1108508704.db2.gz FHMYWVLIYOHNDS-DOTOQJQBSA-N 1 0 334.460 2.224 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CCC(O)CC2)cc1C ZINC001507070436 1115092589 /nfs/dbraw/zinc/09/25/89/1115092589.db2.gz LCMYPUKDAAGLMD-ZLPCBKJTSA-N 1 0 348.487 2.491 10 10 EECERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001543809109 1124135217 /nfs/dbraw/zinc/13/52/17/1124135217.db2.gz FEXJEBFSNNXKCL-HKUYNNGSSA-N 1 0 345.487 2.260 10 10 EECERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)c(C)cc3O)C2=O)n(C)n1 ZINC000080526601 463328269 /nfs/dbraw/zinc/32/82/69/463328269.db2.gz NTGLRMXDCDULRB-MRXNPFEDSA-N 1 0 342.443 2.336 10 10 EECERO COc1cccc(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1O ZINC000179504484 464148215 /nfs/dbraw/zinc/14/82/15/464148215.db2.gz OZSYFTCYTIGRIY-SFHVURJKSA-N 1 0 342.439 2.252 10 10 EECERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(O)c2O)CC1 ZINC000188115924 464203381 /nfs/dbraw/zinc/20/33/81/464203381.db2.gz JGMDJPHDVKTIDU-UHFFFAOYSA-N 1 0 341.411 2.492 10 10 EECERO C[N@H+](Cc1cc(F)ccc1O)C1CCN(CCn2cccn2)CC1 ZINC000180104055 464243358 /nfs/dbraw/zinc/24/33/58/464243358.db2.gz BNWBFPPNFMUWHL-UHFFFAOYSA-N 1 0 332.423 2.324 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)cc2)CC1 ZINC000295807342 464972308 /nfs/dbraw/zinc/97/23/08/464972308.db2.gz TUQMFUBIXCTVDF-FQEVSTJZSA-N 1 0 346.471 2.293 10 10 EECERO CSCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363706668 466571827 /nfs/dbraw/zinc/57/18/27/466571827.db2.gz CUBYOSXVYPCBBA-CYBMUJFWSA-N 1 0 328.865 2.489 10 10 EECERO CC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376020322 529296617 /nfs/dbraw/zinc/29/66/17/529296617.db2.gz FRJNLGYTKJICOB-PMACEKPBSA-N 1 0 346.471 2.293 10 10 EECERO O=C1NN(c2ccccc2)C(=O)/C1=C/c1nccn1Cc1ccccc1 ZINC000734095091 577277291 /nfs/dbraw/zinc/27/72/91/577277291.db2.gz JUIVFNZCNGSDSI-GHRIWEEISA-N 1 0 344.374 2.393 10 10 EECERO Cc1ccnc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)n1 ZINC000758244468 577619847 /nfs/dbraw/zinc/61/98/47/577619847.db2.gz DELSVQIVBNUESM-QGZVFWFLSA-N 1 0 341.411 2.296 10 10 EECERO CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000741092105 578112855 /nfs/dbraw/zinc/11/28/55/578112855.db2.gz VESPCDLORGBTIX-IBGZPJMESA-N 1 0 340.471 2.441 10 10 EECERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1cccc(Cl)c1 ZINC000262346697 679177702 /nfs/dbraw/zinc/17/77/02/679177702.db2.gz UEPPOOWDBABCRB-GUYCJALGSA-N 1 0 347.846 2.058 10 10 EECERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000262223436 684553272 /nfs/dbraw/zinc/55/32/72/684553272.db2.gz JRAUYFDHTYGUFZ-VQIMIIECSA-N 1 0 341.455 2.021 10 10 EECERO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000895772346 684718521 /nfs/dbraw/zinc/71/85/21/684718521.db2.gz DXOGSXUAGKQPEP-GOSISDBHSA-N 1 0 343.471 2.062 10 10 EECERO COc1cc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001267126882 1178296378 /nfs/dbraw/zinc/29/63/78/1178296378.db2.gz YGTPEBJPRLPRKN-ZDUSSCGKSA-N 1 0 347.415 2.298 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c[nH]nc2C2CC2)cc1C ZINC001267448954 1179029024 /nfs/dbraw/zinc/02/90/24/1179029024.db2.gz SCESVZJTMPAOBJ-UHFFFAOYSA-N 1 0 342.443 2.466 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2CCOCC2)cc1C ZINC001268504951 1183082216 /nfs/dbraw/zinc/08/22/16/1183082216.db2.gz GTGIHGNDQRNFMW-ONEGZZNKSA-N 1 0 332.444 2.192 10 10 EECERO C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[NH2+]1 ZINC000841989667 1188215446 /nfs/dbraw/zinc/21/54/46/1188215446.db2.gz WAHAHMUZWWKXLE-JOYOIKCWSA-N 1 0 342.237 2.094 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)C2CCCC2)cc1C ZINC001484473933 1191378771 /nfs/dbraw/zinc/37/87/71/1191378771.db2.gz PEYILBUUSJJQMX-UHFFFAOYSA-N 1 0 334.460 2.104 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccon3)CCC2)cc1C ZINC001484625071 1191442793 /nfs/dbraw/zinc/44/27/93/1191442793.db2.gz PZYXSDCOQCUEEE-UHFFFAOYSA-N 1 0 329.400 2.434 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cc(C)nn2C)cc1C ZINC001485128713 1191663318 /nfs/dbraw/zinc/66/33/18/1191663318.db2.gz QZZQARGHRRTSHR-LSDHHAIUSA-N 1 0 344.459 2.342 10 10 EECERO CCC(C)(C)CCS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000866756975 1201598586 /nfs/dbraw/zinc/59/85/86/1201598586.db2.gz FFZRTNBUBOKQEV-INIZCTEOSA-N 1 0 341.521 2.498 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)n2cccn2)cc1C ZINC001275078162 1205250353 /nfs/dbraw/zinc/25/03/53/1205250353.db2.gz LQHQVGQXMAFERM-GJZGRUSLSA-N 1 0 330.432 2.056 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1[O-] ZINC000925856404 1206161652 /nfs/dbraw/zinc/16/16/52/1206161652.db2.gz NRZMXERZIFSYKL-JQWIXIFHSA-N 1 0 340.370 2.006 10 10 EECERO COc1cc(Cl)cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1O ZINC000826834550 1248087715 /nfs/dbraw/zinc/08/77/15/1248087715.db2.gz TVFBBFWLWZVQOJ-UHFFFAOYSA-N 1 0 347.864 2.359 10 10 EECERO COc1cc(Cl)cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1O ZINC000826867491 1248099585 /nfs/dbraw/zinc/09/95/85/1248099585.db2.gz KDLRKQUCQXHHDS-NRFANRHFSA-N 1 0 345.770 2.455 10 10 EECERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827677820 1248636066 /nfs/dbraw/zinc/63/60/66/1248636066.db2.gz AADWWUPAQQDSFH-GOSISDBHSA-N 1 0 345.487 2.260 10 10 EECERO CCOC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850347654 1277191987 /nfs/dbraw/zinc/19/19/87/1277191987.db2.gz VMHYAEFXCNYHTM-INIZCTEOSA-N 1 0 347.459 2.484 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C[NH3+])c3ccccc3)C2)cc1 ZINC000851639873 1277696612 /nfs/dbraw/zinc/69/66/12/1277696612.db2.gz MDBWKDJEAHCMRO-APWZRJJASA-N 1 0 339.439 2.133 10 10 EECERO CC(C)[C@H]([NH3+])CCNC(=O)NCc1cc(Br)ccc1O ZINC000851678219 1277715212 /nfs/dbraw/zinc/71/52/12/1277715212.db2.gz RKWMQSMDYLYCNM-GFCCVEGCSA-N 1 0 344.253 2.327 10 10 EECERO CCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000851793096 1291837102 /nfs/dbraw/zinc/83/71/02/1291837102.db2.gz WNPYBJHGKDNDPP-INIZCTEOSA-N 1 0 348.443 2.158 10 10 EECERO CN(C)c1ccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856533455 1293558641 /nfs/dbraw/zinc/55/86/41/1293558641.db2.gz GIFPJURBUMEIIC-RBUKOAKNSA-N 1 0 338.455 2.103 10 10 EECERO Cn1cnc(CCC[NH2+]Cc2c(O)cccc2Br)n1 ZINC000858182297 1294036187 /nfs/dbraw/zinc/03/61/87/1294036187.db2.gz OLIYGDPJUPLPFC-UHFFFAOYSA-N 1 0 325.210 2.006 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000861557807 1295456240 /nfs/dbraw/zinc/45/62/40/1295456240.db2.gz VKPDBZVERYBQBF-KRWDZBQOSA-N 1 0 328.460 2.371 10 10 EECERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCCSc1nccs1)C2 ZINC000861609233 1295476082 /nfs/dbraw/zinc/47/60/82/1295476082.db2.gz GFEQOBGOGVSTIE-GASCZTMLSA-N 1 0 340.518 2.266 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccnc(C)n2)cc1C ZINC001278017324 1305696392 /nfs/dbraw/zinc/69/63/92/1305696392.db2.gz JAQPXKQHIPLCSW-AWEZNQCLSA-N 1 0 342.443 2.352 10 10 EECERO OCC1(c2ccccc2)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000840970841 1315449027 /nfs/dbraw/zinc/44/90/27/1315449027.db2.gz XPBRZMGFBZVTSZ-UHFFFAOYSA-N 1 0 338.451 2.269 10 10 EECERO CN(C(=O)NCc1ccc2c(c1)CCCN2C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841759801 1315609560 /nfs/dbraw/zinc/60/95/60/1315609560.db2.gz QNZWVAYMWPZRDZ-JWTNVVGKSA-N 1 0 342.487 2.493 10 10 EECERO CN(Cc1ccccc1O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000841937007 1315641562 /nfs/dbraw/zinc/64/15/62/1315641562.db2.gz ZKWRKWTZNNYLJR-UHFFFAOYSA-N 1 0 328.416 2.109 10 10 EECERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841978530 1315646856 /nfs/dbraw/zinc/64/68/56/1315646856.db2.gz WVFBBNUHXBFAQB-OIISXLGYSA-N 1 0 347.459 2.081 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ncc[nH]2)C2CC2)cc1C ZINC001265354053 1323094559 /nfs/dbraw/zinc/09/45/59/1323094559.db2.gz LDCUTDGCVUAWLC-OAHLLOKOSA-N 1 0 328.416 2.025 10 10 EECERO CCc1oncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265833013 1323411203 /nfs/dbraw/zinc/41/12/03/1323411203.db2.gz VJIUOQXDOOMQPA-ZDUSSCGKSA-N 1 0 331.416 2.462 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cn(C)nc2C)cc1C ZINC001282115134 1325626279 /nfs/dbraw/zinc/62/62/79/1325626279.db2.gz WCGDHDLVURTMPI-KGLIPLIRSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)Cn2ccnc2)C(C)C)cc1C ZINC001319967250 1332802955 /nfs/dbraw/zinc/80/29/55/1332802955.db2.gz CHCQKKQSSJZOQX-KRWDZBQOSA-N 1 0 344.459 2.131 10 10 EECERO CC[N@H+](CCc1cn(C)nn1)Cc1cc(Br)ccc1O ZINC001329224865 1334610321 /nfs/dbraw/zinc/61/03/21/1334610321.db2.gz KPQPZFREEQCNSQ-UHFFFAOYSA-N 1 0 339.237 2.348 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cnon2)cc1C ZINC001330942261 1334931622 /nfs/dbraw/zinc/93/16/22/1334931622.db2.gz XWVYZQBNDRZKOL-CYBMUJFWSA-N 1 0 332.404 2.075 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2cnc(C)o2)cc1C ZINC001331468632 1335018953 /nfs/dbraw/zinc/01/89/53/1335018953.db2.gz DPSIYCQNVDGRQK-AWEZNQCLSA-N 1 0 345.443 2.479 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2c[nH]nc2C)cc1C ZINC001331520615 1335028159 /nfs/dbraw/zinc/02/81/59/1335028159.db2.gz VCEOZZVDLWSSFO-CYBMUJFWSA-N 1 0 330.432 2.285 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CCOCC2)cc1C ZINC001570584899 1343089199 /nfs/dbraw/zinc/08/91/99/1343089199.db2.gz RTKUZMIAVOMACE-HUUCEWRRSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2nn(C)cc2C)cc1C ZINC001570605293 1343091593 /nfs/dbraw/zinc/09/15/93/1343091593.db2.gz QKBVWSAVGLMBEY-LSDHHAIUSA-N 1 0 344.459 2.342 10 10 EECERO O=C(NCc1c(O)cccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001652626543 1354097609 /nfs/dbraw/zinc/09/76/09/1354097609.db2.gz YJDXDEVAZAJDTK-OAHLLOKOSA-N 1 0 326.396 2.236 10 10 EECERO CC[C@@H](CNC(=O)c1cnnc(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665782582 1355387750 /nfs/dbraw/zinc/38/77/50/1355387750.db2.gz QDSXDECGOXFTBA-KRWDZBQOSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cnns2)C2CC2)cc1C ZINC001699574391 1405401563 /nfs/dbraw/zinc/40/15/63/1405401563.db2.gz WDBGUMDBCXFNNL-CQSZACIVSA-N 1 0 346.456 2.153 10 10 EECERO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000919657383 770160518 /nfs/dbraw/zinc/16/05/18/770160518.db2.gz JPHJLPOYKUQOEU-IRXDYDNUSA-N 1 0 347.459 2.177 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3[NH2+]CCCC3(C)C)C2)cc1 ZINC000818270051 785248464 /nfs/dbraw/zinc/24/84/64/785248464.db2.gz XUIAQTJHDOELKZ-CRAIPNDOSA-N 1 0 345.487 2.416 10 10 EECERO COc1ccc(N2CCCN(Cc3nccnc3OC)CC2)cc1 ZINC000823419291 787762687 /nfs/dbraw/zinc/76/26/87/787762687.db2.gz XGOWIYDBCQSHTI-UHFFFAOYSA-N 1 0 328.416 2.206 10 10 EECERO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844378320 789073936 /nfs/dbraw/zinc/07/39/36/789073936.db2.gz KPZFGUNQYNBPPB-YJBOKZPZSA-N 1 0 335.492 2.098 10 10 EECERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000846192359 790085653 /nfs/dbraw/zinc/08/56/53/790085653.db2.gz HWLUZCUNNBIKOS-YGRLFVJLSA-N 1 0 330.222 2.347 10 10 EECERO COCC[NH2+]C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000846221730 790092539 /nfs/dbraw/zinc/09/25/39/790092539.db2.gz DKGANAVZJZTYNQ-UHFFFAOYSA-N 1 0 340.851 2.449 10 10 EECERO Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(O)c1O ZINC000915277955 795808027 /nfs/dbraw/zinc/80/80/27/795808027.db2.gz LZZBSAKGDYXOMY-CYBMUJFWSA-N 1 0 327.384 2.152 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)CC2)cc1 ZINC000916225998 797556989 /nfs/dbraw/zinc/55/69/89/797556989.db2.gz MOGGFPQDPXJKLG-KBXCAEBGSA-N 1 0 346.475 2.056 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C(=O)OC)C2)c1O ZINC000917480469 798236153 /nfs/dbraw/zinc/23/61/53/798236153.db2.gz NIFOYPKSTLGTCQ-CYBMUJFWSA-N 1 0 343.379 2.327 10 10 EECERO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000793042637 810112606 /nfs/dbraw/zinc/11/26/06/810112606.db2.gz HKBFUHZWNCOIRU-ZIFCJYIRSA-N 1 0 345.487 2.436 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001497000720 1101811116 /nfs/dbraw/zinc/81/11/16/1101811116.db2.gz CSVWCKODDBWBAG-GDBMZVCRSA-N 1 0 336.476 2.253 10 10 EECERO CCn1cc(C(=O)NC/C=C\C[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001497550325 1102654456 /nfs/dbraw/zinc/65/44/56/1102654456.db2.gz IFAOGQMDVNHXEG-WAYWQWQTSA-N 1 0 342.443 2.296 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C)nnc2C)cc1C ZINC001568996140 1125027618 /nfs/dbraw/zinc/02/76/18/1125027618.db2.gz CRANHFARMPMYFJ-CQSZACIVSA-N 1 0 342.443 2.319 10 10 EECERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000089937471 217887816 /nfs/dbraw/zinc/88/78/16/217887816.db2.gz WMOYPTKLKMYPHX-KDOFPFPSSA-N 1 0 349.450 2.009 10 10 EECERO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000328634054 258026555 /nfs/dbraw/zinc/02/65/55/258026555.db2.gz MLMVNKCPPSAMOK-VQIMIIECSA-N 1 0 326.444 2.422 10 10 EECERO CCOc1cccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000093147331 463012257 /nfs/dbraw/zinc/01/22/57/463012257.db2.gz MJUMUUNQTQFVKX-SFHVURJKSA-N 1 0 347.503 2.393 10 10 EECERO C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294466955 464509232 /nfs/dbraw/zinc/50/92/32/464509232.db2.gz ZEHLAIJQJKNNAH-UHFFFAOYSA-N 1 0 329.847 2.300 10 10 EECERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373719446 466898698 /nfs/dbraw/zinc/89/86/98/466898698.db2.gz LHAZHWXCNPYMCB-VFVRVIDISA-N 1 0 335.400 2.279 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC2)C1 ZINC000435912186 467502233 /nfs/dbraw/zinc/50/22/33/467502233.db2.gz UJNIEBUQEAUJKL-OAHLLOKOSA-N 1 0 341.455 2.313 10 10 EECERO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)[C@H](C)[NH3+])CCCC1 ZINC000653144198 471506765 /nfs/dbraw/zinc/50/67/65/471506765.db2.gz GYCLBAUPYUBMDH-STQMWFEESA-N 1 0 329.444 2.381 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@H]3C)cc2F)CC1 ZINC000730119097 576718864 /nfs/dbraw/zinc/71/88/64/576718864.db2.gz QGSFYUPHJARASI-ZBFHGGJFSA-N 1 0 348.466 2.423 10 10 EECERO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000775648116 577441802 /nfs/dbraw/zinc/44/18/02/577441802.db2.gz AUSYVHXPOKCNRA-AWEZNQCLSA-N 1 0 344.463 2.393 10 10 EECERO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000758408150 577624119 /nfs/dbraw/zinc/62/41/19/577624119.db2.gz RBCLKYWRXBQBCO-MRXNPFEDSA-N 1 0 348.491 2.177 10 10 EECERO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000756490572 577844952 /nfs/dbraw/zinc/84/49/52/577844952.db2.gz WITZBVUVWLNUDJ-UWVGGRQHSA-N 1 0 325.210 2.486 10 10 EECERO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)c(O)c1C ZINC000756688609 577848601 /nfs/dbraw/zinc/84/86/01/577848601.db2.gz PCTLNCPLVAXHFF-CQSZACIVSA-N 1 0 326.462 2.085 10 10 EECERO COC[C@H](C)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000188450749 681828506 /nfs/dbraw/zinc/82/85/06/681828506.db2.gz YITLIRRFSACSRE-CQSZACIVSA-N 1 0 338.448 2.117 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCO[C@H]1C ZINC001268487512 1182970668 /nfs/dbraw/zinc/97/06/68/1182970668.db2.gz STQLNTRINGGTID-DOTOQJQBSA-N 1 0 334.460 2.367 10 10 EECERO CC[C@H](CNC(=O)C[C@H]1CCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269382558 1184222076 /nfs/dbraw/zinc/22/20/76/1184222076.db2.gz AQECHHXVCZMIPV-IAGOWNOFSA-N 1 0 334.460 2.415 10 10 EECERO CC[C@H](CNC(=O)c1nc(C)c[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269481946 1184302854 /nfs/dbraw/zinc/30/28/54/1184302854.db2.gz KEHPXMGAXPILID-OAHLLOKOSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]cn2)cc1C ZINC001483175925 1189027279 /nfs/dbraw/zinc/02/72/79/1189027279.db2.gz XRYNAAAUBFKWRN-LSDHHAIUSA-N 1 0 344.459 2.200 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ncc[nH]2)C2CC2)cc1C ZINC001483559457 1190549803 /nfs/dbraw/zinc/54/98/03/1190549803.db2.gz FFGSOYNLUCZQQT-OAHLLOKOSA-N 1 0 328.416 2.025 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2ccc[nH]2)cc1C ZINC001274601689 1205093914 /nfs/dbraw/zinc/09/39/14/1205093914.db2.gz WGZCHBFBIQNNJL-ARJAWSKDSA-N 1 0 327.428 2.336 10 10 EECERO COc1ccc(N2CCN(Cc3cnn(CCF)c3)CC2)c(OC)c1 ZINC000931530550 1207406574 /nfs/dbraw/zinc/40/65/74/1207406574.db2.gz JBIXQECZUYSAHZ-UHFFFAOYSA-N 1 0 348.422 2.192 10 10 EECERO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903074131 1239669255 /nfs/dbraw/zinc/66/92/55/1239669255.db2.gz RYVICKGEDCONGS-QZTJIDSGSA-N 1 0 334.485 2.277 10 10 EECERO COC[C@]1(C(=O)OC)CCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000827488835 1248189326 /nfs/dbraw/zinc/18/93/26/1248189326.db2.gz MDHBRKVNDRCIAZ-XZXOBPBMSA-N 1 0 332.444 2.420 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000850345846 1277191132 /nfs/dbraw/zinc/19/11/32/1277191132.db2.gz MFNUIAPSKWAAGW-MRXNPFEDSA-N 1 0 325.412 2.163 10 10 EECERO CCOCc1cc(C[NH2+]CC2(S(=O)(=O)CC)CC2)ccc1OC ZINC000850398597 1277213334 /nfs/dbraw/zinc/21/33/34/1277213334.db2.gz YWQHCRIYXSHOQA-UHFFFAOYSA-N 1 0 341.473 2.289 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C(C)(C)n3cncn3)C2)cc1 ZINC000850486897 1277244574 /nfs/dbraw/zinc/24/45/74/1277244574.db2.gz DQRZBFUGOMGNKZ-GJZGRUSLSA-N 1 0 329.448 2.279 10 10 EECERO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851662910 1277707266 /nfs/dbraw/zinc/70/72/66/1277707266.db2.gz NNBCYZBECGUMGL-CABCVRRESA-N 1 0 334.464 2.091 10 10 EECERO CN1CC(=O)N(CC[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000851716289 1277724876 /nfs/dbraw/zinc/72/48/76/1277724876.db2.gz LLLAPHNULHURBS-UHFFFAOYSA-N 1 0 344.459 2.003 10 10 EECERO CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858822848 1294237184 /nfs/dbraw/zinc/23/71/84/1294237184.db2.gz PZCBINVPGFHEIW-PIEIZJNZSA-N 1 0 333.388 2.358 10 10 EECERO CN(C)c1ccc(CNC(=O)C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1 ZINC000859616974 1294549818 /nfs/dbraw/zinc/54/98/18/1294549818.db2.gz UQRWOTSYSYYUSC-FQEVSTJZSA-N 1 0 347.503 2.290 10 10 EECERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000861589834 1295466839 /nfs/dbraw/zinc/46/68/39/1295466839.db2.gz ICXLVVFUGWCQGB-BGYRXZFFSA-N 1 0 340.471 2.204 10 10 EECERO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840097346 1315293886 /nfs/dbraw/zinc/29/38/86/1315293886.db2.gz VTDLGAZPONMOBA-CYBMUJFWSA-N 1 0 327.384 2.215 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841831960 1315620073 /nfs/dbraw/zinc/62/00/73/1315620073.db2.gz IYYAWVTYDINZOY-FQEVSTJZSA-N 1 0 340.471 2.348 10 10 EECERO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCCC[NH2+]1 ZINC000841920354 1315637234 /nfs/dbraw/zinc/63/72/34/1315637234.db2.gz DXKUQYGJGJSIPJ-LBPRGKRZSA-N 1 0 342.237 2.096 10 10 EECERO Cn1cnc(CCC[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000842737043 1315764840 /nfs/dbraw/zinc/76/48/40/1315764840.db2.gz JIWXCKLTUBLKEM-UHFFFAOYSA-N 1 0 325.210 2.006 10 10 EECERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC000843117617 1315847300 /nfs/dbraw/zinc/84/73/00/1315847300.db2.gz RCYNNEDIBSTITH-HNNXBMFYSA-N 1 0 342.395 2.276 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2ccon2)cc1C ZINC001281701700 1325405820 /nfs/dbraw/zinc/40/58/20/1325405820.db2.gz GTRCTMZRLJHNDX-AWEZNQCLSA-N 1 0 331.416 2.219 10 10 EECERO Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001304794098 1331397777 /nfs/dbraw/zinc/39/77/77/1331397777.db2.gz CMXYQPBAIIZQIK-OAHLLOKOSA-N 1 0 341.459 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccc(C)nn2)cc1C ZINC001319185966 1332661976 /nfs/dbraw/zinc/66/19/76/1332661976.db2.gz OOGOZZPVQPQCNT-CYBMUJFWSA-N 1 0 342.443 2.258 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2c[nH]c(C)n2)cc1C ZINC001319437823 1332701542 /nfs/dbraw/zinc/70/15/42/1332701542.db2.gz XAZKHSOIDMKMFE-CYBMUJFWSA-N 1 0 330.432 2.285 10 10 EECERO Cn1c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cnc1Cl ZINC000848531386 1338715450 /nfs/dbraw/zinc/71/54/50/1338715450.db2.gz QNVBRBYDDDFWRS-UHFFFAOYSA-N 1 0 338.814 2.339 10 10 EECERO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848531371 1338715469 /nfs/dbraw/zinc/71/54/69/1338715469.db2.gz QHWDZGWRKSQICI-YMTOWFKASA-N 1 0 348.237 2.211 10 10 EECERO CC/C(C)=C\C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001677074849 1357275478 /nfs/dbraw/zinc/27/54/78/1357275478.db2.gz RMSCHKFIMLDPIN-CRPZLVSXSA-N 1 0 334.460 2.269 10 10 EECERO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001626702094 1352470855 /nfs/dbraw/zinc/47/08/55/1352470855.db2.gz OSUCYMBKZDIHKR-UHFFFAOYSA-N 1 0 328.412 2.408 10 10 EECERO CCn1ccnc1C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001670080338 1356272509 /nfs/dbraw/zinc/27/25/09/1356272509.db2.gz OYKBIEBUIDJAFH-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO CCOCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001671390735 1356334099 /nfs/dbraw/zinc/33/40/99/1356334099.db2.gz SMIHBSFMXWJSHH-HNNXBMFYSA-N 1 0 347.419 2.080 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2ccnc2C)cc1C ZINC001698859652 1405115816 /nfs/dbraw/zinc/11/58/16/1405115816.db2.gz JPDDSWNTNABRND-HNNXBMFYSA-N 1 0 344.459 2.145 10 10 EECERO COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674451 790366929 /nfs/dbraw/zinc/36/69/29/790366929.db2.gz XWQAUEOUSHWFNE-RTBURBONSA-N 1 0 343.471 2.311 10 10 EECERO CN(C)C(=O)CCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816515762 784091845 /nfs/dbraw/zinc/09/18/45/784091845.db2.gz KIYCLAQMBKFIER-UHFFFAOYSA-N 1 0 341.455 2.141 10 10 EECERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000846143634 790074012 /nfs/dbraw/zinc/07/40/12/790074012.db2.gz DEOQTMRZQHXYIV-ZIAGYGMSSA-N 1 0 330.432 2.454 10 10 EECERO COc1cc(Br)cc(CN2CC[NH2+]C[C@@](C)(F)C2)c1O ZINC000843124555 794248046 /nfs/dbraw/zinc/24/80/46/794248046.db2.gz BZBZOMAUASYYMU-CQSZACIVSA-N 1 0 347.228 2.297 10 10 EECERO CN(C)c1ccc(/C=C\C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1 ZINC000922622351 801522796 /nfs/dbraw/zinc/52/27/96/801522796.db2.gz XMSLTLMFSASHOX-ARJAWSKDSA-N 1 0 346.471 2.404 10 10 EECERO CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480174476 1099754741 /nfs/dbraw/zinc/75/47/41/1099754741.db2.gz PTJNEAMWZNSBTF-MRVWCRGKSA-N 1 0 335.383 2.448 10 10 EECERO CC[C@@H](CNC(=O)c1ccnc(C)n1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495107270 1100756223 /nfs/dbraw/zinc/75/62/23/1100756223.db2.gz HDHFVMNSMZRMHF-INIZCTEOSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)c2c[nH]cn2)cc1C ZINC001498160466 1107002521 /nfs/dbraw/zinc/00/25/21/1107002521.db2.gz QHUQZPRWYMCQPM-AWEZNQCLSA-N 1 0 344.459 2.299 10 10 EECERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)COC(C)C)C2)cc1C ZINC001506878566 1114946859 /nfs/dbraw/zinc/94/68/59/1114946859.db2.gz XUFNOSOWTSNSIW-QAQDUYKDSA-N 1 0 334.460 2.413 10 10 EECERO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)ccc1O ZINC000050394444 214055681 /nfs/dbraw/zinc/05/56/81/214055681.db2.gz OGPRAQQJZBOROI-NEPJUHHUSA-N 1 0 327.222 2.474 10 10 EECERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000103135104 237074242 /nfs/dbraw/zinc/07/42/42/237074242.db2.gz FIEAJZSHWFEVRL-GFCCVEGCSA-N 1 0 331.372 2.267 10 10 EECERO N=[N+]=CC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1 ZINC000096361004 303232839 /nfs/dbraw/zinc/23/28/39/303232839.db2.gz BHSJPXBENUPSIQ-HNNXBMFYSA-O 1 0 325.417 2.463 10 10 EECERO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(N3CCOCC3)n1)CC2 ZINC000296585701 465226109 /nfs/dbraw/zinc/22/61/09/465226109.db2.gz WIZYUMUKGBZZTP-INIZCTEOSA-N 1 0 325.412 2.401 10 10 EECERO CCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000289447021 464078929 /nfs/dbraw/zinc/07/89/29/464078929.db2.gz MRHVWTKQPGPLCV-UHFFFAOYSA-N 1 0 346.880 2.258 10 10 EECERO CO[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1C ZINC000189281878 464469735 /nfs/dbraw/zinc/46/97/35/464469735.db2.gz MRXMZIQJQGDGEW-QAPCUYQASA-N 1 0 333.476 2.068 10 10 EECERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000247317229 490704254 /nfs/dbraw/zinc/70/42/54/490704254.db2.gz WQCPLWYXEPNHCA-APWZRJJASA-N 1 0 340.471 2.441 10 10 EECERO Cc1noc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000089518845 534407352 /nfs/dbraw/zinc/40/73/52/534407352.db2.gz MUFHYUYBZODNJH-GFCCVEGCSA-N 1 0 334.395 2.247 10 10 EECERO COc1ccc(N2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)cc1 ZINC000772985392 577309123 /nfs/dbraw/zinc/30/91/23/577309123.db2.gz RPKVRSJCWPAUJA-UHFFFAOYSA-N 1 0 331.460 2.298 10 10 EECERO COc1ccc(N2CCC([NH2+]CCc3nnc4n3CCC4)CC2)cc1 ZINC000764820358 577488963 /nfs/dbraw/zinc/48/89/63/577488963.db2.gz ZQYCHRKTRSCOIQ-UHFFFAOYSA-N 1 0 341.459 2.034 10 10 EECERO CCOC(=O)CCC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768463838 577556377 /nfs/dbraw/zinc/55/63/77/577556377.db2.gz XWKJOXGFZQMVER-KRWDZBQOSA-N 1 0 349.427 2.373 10 10 EECERO CC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)C(=O)OC ZINC000895119272 683969825 /nfs/dbraw/zinc/96/98/25/683969825.db2.gz BRNFYOQLDUPEJP-SECBINFHSA-N 1 0 346.221 2.452 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923596859 684019059 /nfs/dbraw/zinc/01/90/59/684019059.db2.gz KHGQIBTYHZZKNB-KRWDZBQOSA-N 1 0 339.505 2.045 10 10 EECERO CC[C@@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(=O)OC ZINC000895142138 684099910 /nfs/dbraw/zinc/09/99/10/684099910.db2.gz ZKWIWRRUVLPKEI-HNNXBMFYSA-N 1 0 331.416 2.229 10 10 EECERO COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001270316112 1185012111 /nfs/dbraw/zinc/01/21/11/1185012111.db2.gz QXGGRLJWZYVWDH-SWLSCSKDSA-N 1 0 347.419 2.078 10 10 EECERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825824274 1199408734 /nfs/dbraw/zinc/40/87/34/1199408734.db2.gz ILCDBJOCTPBBBR-GXTWGEPZSA-N 1 0 346.265 2.402 10 10 EECERO CC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Cl)ccc1O ZINC000866521861 1201539838 /nfs/dbraw/zinc/53/98/38/1201539838.db2.gz QMQYIOCFDKJHDI-CZUORRHYSA-N 1 0 340.807 2.308 10 10 EECERO CC(=O)c1cc(Cl)cc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c1O ZINC000880999469 1201619615 /nfs/dbraw/zinc/61/96/15/1201619615.db2.gz NCYWRPICBMIBMG-NSHDSACASA-N 1 0 334.807 2.040 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cncc(F)c2)cc1C ZINC001274721490 1205141316 /nfs/dbraw/zinc/14/13/16/1205141316.db2.gz HDQCRWDXFKYNNS-CYBMUJFWSA-N 1 0 331.391 2.446 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@@H]3CCC4(COC4)O3)CC2)cc1 ZINC000929315041 1206464178 /nfs/dbraw/zinc/46/41/78/1206464178.db2.gz HYTASSANPUHOIH-SFHVURJKSA-N 1 0 332.444 2.155 10 10 EECERO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929969985 1206523490 /nfs/dbraw/zinc/52/34/90/1206523490.db2.gz GSYLWXDZLFHVSV-DFEOGRTESA-N 1 0 333.428 2.177 10 10 EECERO CN(C)c1ccc(CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C2CC2)cc1 ZINC000900125785 1234032521 /nfs/dbraw/zinc/03/25/21/1234032521.db2.gz YLSPIOOLOAZCDG-FQEVSTJZSA-N 1 0 345.487 2.090 10 10 EECERO c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903074128 1239669643 /nfs/dbraw/zinc/66/96/43/1239669643.db2.gz RYVICKGEDCONGS-MSOLQXFVSA-N 1 0 334.485 2.277 10 10 EECERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(OC)CCSC2)c1 ZINC000903315241 1240232717 /nfs/dbraw/zinc/23/27/17/1240232717.db2.gz VCDBKRSGGYOSKI-ZBEGNZNMSA-N 1 0 325.430 2.352 10 10 EECERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000850353872 1277195866 /nfs/dbraw/zinc/19/58/66/1277195866.db2.gz OSUBXAUDZQVRRA-RLLQIKCJSA-N 1 0 348.487 2.179 10 10 EECERO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Cl)CC(F)(F)F ZINC000850364415 1277198607 /nfs/dbraw/zinc/19/86/07/1277198607.db2.gz FGONPMMNHHUTFP-UHFFFAOYSA-N 1 0 331.743 2.112 10 10 EECERO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850519841 1277258296 /nfs/dbraw/zinc/25/82/96/1277258296.db2.gz PULSBDYUHPEVEI-JTQLQIEISA-N 1 0 325.352 2.328 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000852843884 1292213008 /nfs/dbraw/zinc/21/30/08/1292213008.db2.gz JCTUJFYEGBXWBE-MAUKXSAKSA-N 1 0 325.412 2.090 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])C2)cc1 ZINC000852843530 1292213128 /nfs/dbraw/zinc/21/31/28/1292213128.db2.gz ALJLZWYCGPWKLB-FNHZYXHNSA-N 1 0 331.460 2.298 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840904526 1315432210 /nfs/dbraw/zinc/43/22/10/1315432210.db2.gz BAKCELLFZFRDKL-RISCZKNCSA-N 1 0 346.880 2.162 10 10 EECERO CN1CCCc2cc(CNC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)ccc21 ZINC000841759290 1315609394 /nfs/dbraw/zinc/60/93/94/1315609394.db2.gz MELKYPLVQGOJEY-QGZVFWFLSA-N 1 0 328.460 2.105 10 10 EECERO O=C(NCCC[NH2+]C1CC1)NCc1cc(Br)ccc1O ZINC000841918769 1315636717 /nfs/dbraw/zinc/63/67/17/1315636717.db2.gz WRTBQOMQSWRISK-UHFFFAOYSA-N 1 0 342.237 2.096 10 10 EECERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841978531 1315646660 /nfs/dbraw/zinc/64/66/60/1315646660.db2.gz WVFBBNUHXBFAQB-PVAVHDDUSA-N 1 0 347.459 2.081 10 10 EECERO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000842010561 1315650872 /nfs/dbraw/zinc/65/08/72/1315650872.db2.gz MRZVRKNNRVJVJL-CABZTGNLSA-N 1 0 342.237 2.081 10 10 EECERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001261501969 1322116595 /nfs/dbraw/zinc/11/65/95/1322116595.db2.gz UNGHQWUYUXYFEZ-RTBURBONSA-N 1 0 345.487 2.029 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC001624013090 1352411585 /nfs/dbraw/zinc/41/15/85/1352411585.db2.gz CLLRDRXHITYASP-CQSZACIVSA-N 1 0 330.384 2.187 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(C)C)cc1C ZINC001667826636 1355819923 /nfs/dbraw/zinc/81/99/23/1355819923.db2.gz LSWZYJRIODANAM-MRXNPFEDSA-N 1 0 336.476 2.253 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cnc(C)n2C)cc1C ZINC001674714762 1356882066 /nfs/dbraw/zinc/88/20/66/1356882066.db2.gz CSAKAMHMXUGFOJ-KGLIPLIRSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(N2CCC([NH2+]Cc3nccnc3OC)CC2)cc1 ZINC000823757564 787920166 /nfs/dbraw/zinc/92/01/66/787920166.db2.gz MFIAGOGMVCGJPY-UHFFFAOYSA-N 1 0 328.416 2.252 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC13CCCC3)cc2=O ZINC000844355957 789038964 /nfs/dbraw/zinc/03/89/64/789038964.db2.gz DDDAINQTBHOJFB-UHFFFAOYSA-N 1 0 330.388 2.130 10 10 EECERO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844378309 789073367 /nfs/dbraw/zinc/07/33/67/789073367.db2.gz KPZFGUNQYNBPPB-MAUKXSAKSA-N 1 0 335.492 2.098 10 10 EECERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000164325540 789144948 /nfs/dbraw/zinc/14/49/48/789144948.db2.gz CLOABOWFYBSORX-INIZCTEOSA-N 1 0 334.460 2.253 10 10 EECERO COCCn1c(C)c(C)c2cc(C(=O)NC34CC[NH+](CC3)C4)ccc21 ZINC000913628609 794001149 /nfs/dbraw/zinc/00/11/49/794001149.db2.gz KXUFVRIPKSDKTR-UHFFFAOYSA-N 1 0 341.455 2.483 10 10 EECERO COc1cc(Br)cc(CN2CC[NH2+]C[C@](C)(F)C2)c1O ZINC000843124554 794246876 /nfs/dbraw/zinc/24/68/76/794246876.db2.gz BZBZOMAUASYYMU-AWEZNQCLSA-N 1 0 347.228 2.297 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC2(C)C)cc1C ZINC001497034352 1101867323 /nfs/dbraw/zinc/86/73/23/1101867323.db2.gz WCFXNSJVYGBQQG-DLBZAZTESA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(CNC(=O)c2cccc(CC[NH+](C)C)c2)c(O)c1 ZINC001467471095 1110456962 /nfs/dbraw/zinc/45/69/62/1110456962.db2.gz SDNZVZMRWSFAEC-UHFFFAOYSA-N 1 0 328.412 2.435 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cncnc2)cc1C ZINC001503176077 1113878204 /nfs/dbraw/zinc/87/82/04/1113878204.db2.gz XCWSUZJNPDYVMW-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO C[NH+](C)CCOc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001544337255 1124148775 /nfs/dbraw/zinc/14/87/75/1124148775.db2.gz PUNGQSBRKFIHAC-UHFFFAOYSA-N 1 0 330.384 2.219 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2CCC(O)CC2)cc1C ZINC001568843923 1124862955 /nfs/dbraw/zinc/86/29/55/1124862955.db2.gz VZOGKCVKWQNYOY-ARJAWSKDSA-N 1 0 346.471 2.317 10 10 EECERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000159495267 463288326 /nfs/dbraw/zinc/28/83/26/463288326.db2.gz APUDFGYTYNKMFF-HNNXBMFYSA-N 1 0 349.450 2.325 10 10 EECERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)cc1O ZINC000185974253 463915038 /nfs/dbraw/zinc/91/50/38/463915038.db2.gz QCGGQCIKQBVIJG-JQWIXIFHSA-N 1 0 329.238 2.136 10 10 EECERO COc1ccc(O)c(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000180080186 464237287 /nfs/dbraw/zinc/23/72/87/464237287.db2.gz OLSDWDMXXOISEC-UHFFFAOYSA-N 1 0 328.416 2.292 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1F ZINC000174442723 464407962 /nfs/dbraw/zinc/40/79/62/464407962.db2.gz QTUOJZJPIQMHID-HNNXBMFYSA-N 1 0 332.423 2.047 10 10 EECERO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(O)c1 ZINC000528297215 467678883 /nfs/dbraw/zinc/67/88/83/467678883.db2.gz UKEJYXRDZJRTIU-OAHLLOKOSA-N 1 0 333.432 2.217 10 10 EECERO Oc1cc2c(cc1C[NH+]1CCC(c3nnc4n3CCC4)CC1)OCO2 ZINC000365662740 534449051 /nfs/dbraw/zinc/44/90/51/534449051.db2.gz VTROBVYWGCYHSF-UHFFFAOYSA-N 1 0 342.399 2.038 10 10 EECERO Cc1cc(N(C)C)ccc1C[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000895341949 684518796 /nfs/dbraw/zinc/51/87/96/684518796.db2.gz FDVWMOZFTSSPAE-GOSISDBHSA-N 1 0 330.476 2.441 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)Cc2cnoc2)C2CC2)cc1C ZINC001266427405 1176521059 /nfs/dbraw/zinc/52/10/59/1176521059.db2.gz YIFMVSINRDWCOS-QGZVFWFLSA-N 1 0 343.427 2.219 10 10 EECERO CCc1oncc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268706892 1183628777 /nfs/dbraw/zinc/62/87/77/1183628777.db2.gz YNJNLEOWBLGPHL-ZDUSSCGKSA-N 1 0 331.416 2.462 10 10 EECERO CC[C@@H](CNC(=O)C[C@H]1CCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269382560 1184221802 /nfs/dbraw/zinc/22/18/02/1184221802.db2.gz AQECHHXVCZMIPV-SJORKVTESA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cnc(C)cn2)cc1C ZINC001270878309 1185590507 /nfs/dbraw/zinc/59/05/07/1185590507.db2.gz POONRYPVCGTVLG-OAHLLOKOSA-N 1 0 342.443 2.352 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC23CC3)cc1C ZINC001482742862 1187700598 /nfs/dbraw/zinc/70/05/98/1187700598.db2.gz URMSTJLMGMQKNX-DLBZAZTESA-N 1 0 346.471 2.151 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2C=CCCC2)cc1C ZINC001482743330 1187700992 /nfs/dbraw/zinc/70/09/92/1187700992.db2.gz ZOOKOSTXTCELDN-SJLPKXTDSA-N 1 0 346.471 2.317 10 10 EECERO CCN(Cc1cc(Br)ccc1O)C(=O)NC/C=C/C[NH3+] ZINC000841995454 1188218123 /nfs/dbraw/zinc/21/81/23/1188218123.db2.gz IKBZPRNPSNJROB-ONEGZZNKSA-N 1 0 342.237 2.201 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1C ZINC001483080029 1188441262 /nfs/dbraw/zinc/44/12/62/1188441262.db2.gz KANWFRJCTURVOG-NKFSZRILSA-N 1 0 344.455 2.192 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001275396373 1205337795 /nfs/dbraw/zinc/33/77/95/1205337795.db2.gz YAPKZNCQGGOBKI-ZIAGYGMSSA-N 1 0 330.432 2.332 10 10 EECERO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c1 ZINC000827094426 1249871377 /nfs/dbraw/zinc/87/13/77/1249871377.db2.gz PGMPPWSRIMMAKF-DNVCBOLYSA-N 1 0 333.428 2.491 10 10 EECERO CCOc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000850342920 1277189044 /nfs/dbraw/zinc/18/90/44/1277189044.db2.gz OQSAEEMYLXEWGK-UHFFFAOYSA-N 1 0 327.446 2.095 10 10 EECERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000850353871 1277195645 /nfs/dbraw/zinc/19/56/45/1277195645.db2.gz OSUBXAUDZQVRRA-MISYRCLQSA-N 1 0 348.487 2.179 10 10 EECERO CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1O ZINC000850518781 1277256128 /nfs/dbraw/zinc/25/61/28/1277256128.db2.gz IEFYGDRLQWRODI-LLVKDONJSA-N 1 0 325.352 2.410 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000850545779 1277264722 /nfs/dbraw/zinc/26/47/22/1277264722.db2.gz FREUSYPPZRYPOS-OLZOCXBDSA-N 1 0 337.851 2.106 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)CCC3CC[NH2+]CC3)C2)cc1 ZINC000852844568 1292214017 /nfs/dbraw/zinc/21/40/17/1292214017.db2.gz WKEGHOLQXFADDS-INIZCTEOSA-N 1 0 331.460 2.170 10 10 EECERO COc1cc([N+](=O)[O-])c(N2CCc3[nH+]ccc(N)c3C2)cc1OC ZINC000857900118 1293946694 /nfs/dbraw/zinc/94/66/94/1293946694.db2.gz YJOAPHOPAVPOJA-UHFFFAOYSA-N 1 0 330.344 2.152 10 10 EECERO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)nc1 ZINC000858011827 1293987497 /nfs/dbraw/zinc/98/74/97/1293987497.db2.gz RRWZMFPFHHXFFQ-AWEZNQCLSA-N 1 0 328.368 2.478 10 10 EECERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858141051 1294020119 /nfs/dbraw/zinc/02/01/19/1294020119.db2.gz IVCMPDXSBUBJOU-VHSXEESVSA-N 1 0 327.222 2.288 10 10 EECERO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000858494517 1294133683 /nfs/dbraw/zinc/13/36/83/1294133683.db2.gz SHVQVDKMIBAQIZ-JHJVBQTASA-N 1 0 337.851 2.091 10 10 EECERO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)cc1F ZINC000862382337 1295815895 /nfs/dbraw/zinc/81/58/95/1295815895.db2.gz RHVSQGNOBPOKJN-LBPRGKRZSA-N 1 0 339.386 2.305 10 10 EECERO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000862486675 1295857334 /nfs/dbraw/zinc/85/73/34/1295857334.db2.gz GZXNRHFYGDGUNP-KRWDZBQOSA-N 1 0 330.428 2.265 10 10 EECERO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)ccc1O ZINC000927136310 1297033066 /nfs/dbraw/zinc/03/30/66/1297033066.db2.gz QHQVJIBZKFVVNH-YMTOWFKASA-N 1 0 340.221 2.272 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840904529 1315432316 /nfs/dbraw/zinc/43/23/16/1315432316.db2.gz BAKCELLFZFRDKL-SMDDNHRTSA-N 1 0 346.880 2.162 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840904520 1315432414 /nfs/dbraw/zinc/43/24/14/1315432414.db2.gz BAKCELLFZFRDKL-BXUZGUMPSA-N 1 0 346.880 2.162 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccc(=O)[nH]2)cc1C ZINC001282114883 1325626438 /nfs/dbraw/zinc/62/64/38/1325626438.db2.gz VJACOYZWAYUVPZ-ZIAGYGMSSA-N 1 0 343.427 2.401 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cn2ccnc2C)cc1C ZINC001492126874 1330980492 /nfs/dbraw/zinc/98/04/92/1330980492.db2.gz BGVOCRPAOCCVFA-OAHLLOKOSA-N 1 0 344.459 2.193 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCOCC2)cc1C ZINC001321500243 1333114814 /nfs/dbraw/zinc/11/48/14/1333114814.db2.gz PKRONRVUPCCXHE-WBVHZDCISA-N 1 0 334.460 2.415 10 10 EECERO COc1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)sn1 ZINC001321522784 1333117972 /nfs/dbraw/zinc/11/79/72/1333117972.db2.gz SGANQDJDXOTXFS-GFCCVEGCSA-N 1 0 349.456 2.377 10 10 EECERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000847410893 1338039916 /nfs/dbraw/zinc/03/99/16/1338039916.db2.gz UIURAZHDWQOHAM-OTVXOJSOSA-N 1 0 331.460 2.410 10 10 EECERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C12CCC2 ZINC001647836624 1353403970 /nfs/dbraw/zinc/40/39/70/1353403970.db2.gz NCXSIDRDRLIQLV-KGLIPLIRSA-N 1 0 329.404 2.452 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cc(C)c(C)o2)cc1C ZINC001667809521 1355817578 /nfs/dbraw/zinc/81/75/78/1355817578.db2.gz UYAWEMKXOWGZPA-INIZCTEOSA-N 1 0 346.427 2.094 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1c(C)ncn1C ZINC001668459452 1355945516 /nfs/dbraw/zinc/94/55/16/1355945516.db2.gz LTGPQFJLVCAFOS-UHFFFAOYSA-N 1 0 344.459 2.297 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccnn2C)cc1C ZINC001674641265 1356868631 /nfs/dbraw/zinc/86/86/31/1356868631.db2.gz SGCHKCGKJVGWAR-KBPBESRZSA-N 1 0 330.432 2.034 10 10 EECERO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674449 790365897 /nfs/dbraw/zinc/36/58/97/790365897.db2.gz XWQAUEOUSHWFNE-OALUTQOASA-N 1 0 343.471 2.311 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)cc2)CC1 ZINC000844433386 789118426 /nfs/dbraw/zinc/11/84/26/789118426.db2.gz MFZKHMDNPSMIAY-TXBYWVTISA-N 1 0 334.485 2.007 10 10 EECERO CCC/C=C/[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001180180022 800288582 /nfs/dbraw/zinc/28/85/82/800288582.db2.gz TVDVDCDYVSFGLI-NUQYTELCSA-N 1 0 333.476 2.189 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000786821651 806915159 /nfs/dbraw/zinc/91/51/59/806915159.db2.gz UZFFRHHHAZAHPM-HYXAFXHYSA-N 1 0 331.372 2.065 10 10 EECERO CN(C)c1ccc(/C=C/C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1 ZINC000922622352 801522512 /nfs/dbraw/zinc/52/25/12/801522512.db2.gz XMSLTLMFSASHOX-ONEGZZNKSA-N 1 0 346.471 2.404 10 10 EECERO COC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000843832242 808453460 /nfs/dbraw/zinc/45/34/60/808453460.db2.gz VBNPHTMPSDIGPO-CQSZACIVSA-N 1 0 338.835 2.305 10 10 EECERO Cc1ccncc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000793041513 810112018 /nfs/dbraw/zinc/11/20/18/810112018.db2.gz BVURWEBQLFWHKE-QGZVFWFLSA-N 1 0 338.455 2.382 10 10 EECERO Cc1ccncc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000793041511 810112162 /nfs/dbraw/zinc/11/21/62/810112162.db2.gz BVURWEBQLFWHKE-KRWDZBQOSA-N 1 0 338.455 2.382 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001465889785 1110425392 /nfs/dbraw/zinc/42/53/92/1110425392.db2.gz MHQHODIIYDCWLN-AEFFLSMTSA-N 1 0 345.487 2.464 10 10 EECERO C/C=C(/C)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001502861217 1113836568 /nfs/dbraw/zinc/83/65/68/1113836568.db2.gz BZWLOWZVXBNCRL-WCSRMQSCSA-N 1 0 346.471 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(C)ncn2)cc1C ZINC001503162729 1113878212 /nfs/dbraw/zinc/87/82/12/1113878212.db2.gz BRAVFEHMUTYYLZ-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO C[C@@H](CC[NH+](C)C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001540458267 1124083516 /nfs/dbraw/zinc/08/35/16/1124083516.db2.gz GRYCSJGTFRJODJ-INIZCTEOSA-N 1 0 333.476 2.069 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccnnc2)cc1C ZINC001568681711 1124693846 /nfs/dbraw/zinc/69/38/46/1124693846.db2.gz WHOBNWBPTKTQNR-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO C[C@H](C[NH2+]Cc1cccnc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569041018 1125060403 /nfs/dbraw/zinc/06/04/03/1125060403.db2.gz XDLGOOFRRDITDY-GFCCVEGCSA-N 1 0 340.387 2.152 10 10 EECERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000159495404 463288586 /nfs/dbraw/zinc/28/85/86/463288586.db2.gz APUDFGYTYNKMFF-OAHLLOKOSA-N 1 0 349.450 2.325 10 10 EECERO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530213255 467964011 /nfs/dbraw/zinc/96/40/11/467964011.db2.gz OFJOAQLKVIUPKM-INIZCTEOSA-N 1 0 343.427 2.173 10 10 EECERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000774685507 577411050 /nfs/dbraw/zinc/41/10/50/577411050.db2.gz BQEXBMDDTHTZSB-HUUCEWRRSA-N 1 0 337.416 2.252 10 10 EECERO COc1cccc(O)c1C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000768903710 577565418 /nfs/dbraw/zinc/56/54/18/577565418.db2.gz SGYBTYCPAPFXKD-MRXNPFEDSA-N 1 0 326.396 2.464 10 10 EECERO C[NH+](C)C1(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804734099 675610413 /nfs/dbraw/zinc/61/04/13/675610413.db2.gz DBPMGEGFAUAKRB-UHFFFAOYSA-N 1 0 327.222 2.255 10 10 EECERO CN1C[C@@H](CC[NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000723535614 676581681 /nfs/dbraw/zinc/58/16/81/676581681.db2.gz HRKMXKXUEDZIOZ-JTQLQIEISA-N 1 0 327.222 2.113 10 10 EECERO CN(C)c1ccc(/C=C/C[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000894611262 682994274 /nfs/dbraw/zinc/99/42/74/682994274.db2.gz MWULIBSCAVTHLL-ONEGZZNKSA-N 1 0 327.432 2.400 10 10 EECERO COCC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001267014852 1178090971 /nfs/dbraw/zinc/09/09/71/1178090971.db2.gz QUMUKBLMLCXVCK-INIZCTEOSA-N 1 0 332.444 2.121 10 10 EECERO CC[C@@H](CNC(=O)[C@@H]1CCCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267798496 1180545885 /nfs/dbraw/zinc/54/58/85/1180545885.db2.gz RIGKQIAOLHDRBO-SJORKVTESA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2n[nH]cc2F)cc1C ZINC001268082807 1181697385 /nfs/dbraw/zinc/69/73/85/1181697385.db2.gz FWIIVGXRFZJBLC-GFCCVEGCSA-N 1 0 334.395 2.116 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccn(C)c2)cc1C ZINC001482091745 1183327112 /nfs/dbraw/zinc/32/71/12/1183327112.db2.gz YKRKGLASWQFJEL-CQSZACIVSA-N 1 0 329.444 2.498 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC(C)(C)O)C(C)C)cc1C ZINC001482525171 1186478178 /nfs/dbraw/zinc/47/81/78/1186478178.db2.gz FALHOHKQCFHLOR-INIZCTEOSA-N 1 0 336.476 2.395 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC2(O)CCC2)cc1C ZINC001482831822 1187751632 /nfs/dbraw/zinc/75/16/32/1187751632.db2.gz RJKDEOPCBRXSEE-OAHLLOKOSA-N 1 0 334.460 2.293 10 10 EECERO COc1cc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c(O)cc1C ZINC000905709578 1189877723 /nfs/dbraw/zinc/87/77/23/1189877723.db2.gz BALAPXWVNCHJBD-GOSISDBHSA-N 1 0 334.416 2.420 10 10 EECERO CCc1c[nH]c(CC(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001483236517 1190099876 /nfs/dbraw/zinc/09/98/76/1190099876.db2.gz JAZRMVIMGAGDTL-AWEZNQCLSA-N 1 0 344.459 2.126 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3cnon3)C2)cc1C ZINC001272598750 1190913146 /nfs/dbraw/zinc/91/31/46/1190913146.db2.gz JWXHCIUVCBBUFG-CQSZACIVSA-N 1 0 344.415 2.029 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cnn(C)c2C)cc1C ZINC001485122680 1191661867 /nfs/dbraw/zinc/66/18/67/1191661867.db2.gz SSDJEFQIWMLFMP-UONOGXRCSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001485125260 1191662331 /nfs/dbraw/zinc/66/23/31/1191662331.db2.gz AERBVSPRMAAECS-UONOGXRCSA-N 1 0 330.432 2.332 10 10 EECERO Fc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1N1CCOCC1 ZINC000810171595 1199310104 /nfs/dbraw/zinc/31/01/04/1199310104.db2.gz MCYVUESZQLNDFE-AWEZNQCLSA-N 1 0 330.407 2.033 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000825893209 1199730292 /nfs/dbraw/zinc/73/02/92/1199730292.db2.gz SBLWMYBOYKOLEZ-GGZOMVNGSA-N 1 0 328.206 2.442 10 10 EECERO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Br)ccc1O ZINC000866496663 1201532452 /nfs/dbraw/zinc/53/24/52/1201532452.db2.gz UQMRSVAVACNNGN-SNVBAGLBSA-N 1 0 349.232 2.484 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CC1 ZINC000132287077 1202094956 /nfs/dbraw/zinc/09/49/56/1202094956.db2.gz QMGRGLDULWOMCU-UHFFFAOYSA-N 1 0 328.460 2.180 10 10 EECERO CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1CC[NH+](C)CC1 ZINC000930905939 1206591414 /nfs/dbraw/zinc/59/14/14/1206591414.db2.gz WHNIWXWPBQOVHC-UHFFFAOYSA-N 1 0 333.476 2.212 10 10 EECERO CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc(N(C)C)cc1 ZINC000903873880 1242264647 /nfs/dbraw/zinc/26/46/47/1242264647.db2.gz ZTCCLJZCBJUBIU-SFHVURJKSA-N 1 0 342.491 2.291 10 10 EECERO CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c(O)c1 ZINC000850353306 1277195756 /nfs/dbraw/zinc/19/57/56/1277195756.db2.gz ZTQHXQMKHDAUTK-MRXNPFEDSA-N 1 0 326.396 2.468 10 10 EECERO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(O)c1 ZINC000850519655 1277257557 /nfs/dbraw/zinc/25/75/57/1277257557.db2.gz ONRWLUIXHWDTBI-JTQLQIEISA-N 1 0 325.352 2.328 10 10 EECERO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851662912 1277707454 /nfs/dbraw/zinc/70/74/54/1277707454.db2.gz NNBCYZBECGUMGL-HUUCEWRRSA-N 1 0 334.464 2.091 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001273522864 1279140338 /nfs/dbraw/zinc/14/03/38/1279140338.db2.gz ZCJBKHIBVHBJPN-KDOFPFPSSA-N 1 0 334.460 2.367 10 10 EECERO CO[C@H](C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC000851840857 1291879180 /nfs/dbraw/zinc/87/91/80/1291879180.db2.gz JVMRIKISGLGBJO-ZIFCJYIRSA-N 1 0 335.444 2.425 10 10 EECERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852066672 1291980285 /nfs/dbraw/zinc/98/02/85/1291980285.db2.gz QJTXBRUULVIYKU-HOTGVXAUSA-N 1 0 348.491 2.303 10 10 EECERO Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000854015242 1292583441 /nfs/dbraw/zinc/58/34/41/1292583441.db2.gz RSALSMOSCGRBLS-UHFFFAOYSA-N 1 0 343.402 2.048 10 10 EECERO Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)c1O ZINC000857067126 1293712692 /nfs/dbraw/zinc/71/26/92/1293712692.db2.gz FAZIBPWYRCGOLA-UHFFFAOYSA-N 1 0 343.402 2.261 10 10 EECERO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858306233 1294077062 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SRPJRDZCMLIQDF-QIPPXTIRSA-N 1 0 342.480 2.470 10 10 EECERO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000773732504 577361596 /nfs/dbraw/zinc/36/15/96/577361596.db2.gz CGULODMTQKIZDM-SFHVURJKSA-N 1 0 345.487 2.214 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](C(C)C)C1)cc2=O ZINC000755993544 577835896 /nfs/dbraw/zinc/83/58/96/577835896.db2.gz CXSKUQBXQBSQFS-LBPRGKRZSA-N 1 0 332.404 2.090 10 10 EECERO COc1cc(C)cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1O ZINC000895677692 684678859 /nfs/dbraw/zinc/67/88/59/684678859.db2.gz PTJPRXHLRHGIIT-JTQLQIEISA-N 1 0 329.265 2.357 10 10 EECERO CC(C)OCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266569898 1176863928 /nfs/dbraw/zinc/86/39/28/1176863928.db2.gz POKVUMVEKJSSOA-HNNXBMFYSA-N 1 0 347.419 2.078 10 10 EECERO COc1cc(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001268359269 1182327655 /nfs/dbraw/zinc/32/76/55/1182327655.db2.gz QABABQYFEQYKQL-CYBMUJFWSA-N 1 0 347.415 2.298 10 10 EECERO CCc1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001268712084 1183631459 /nfs/dbraw/zinc/63/14/59/1183631459.db2.gz GVKQNPZMTQYQHT-ZDUSSCGKSA-N 1 0 331.416 2.462 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@H](C)CO3)CC2)cc1C ZINC001269455791 1184280204 /nfs/dbraw/zinc/28/02/04/1184280204.db2.gz LPPWPOYECLIAMA-SUMWQHHRSA-N 1 0 332.444 2.167 10 10 EECERO CCOCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001271572202 1186320924 /nfs/dbraw/zinc/32/09/24/1186320924.db2.gz PLPNOSKIAWONEC-DOTOQJQBSA-N 1 0 334.460 2.224 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C2CCCC2)cc1C ZINC001482784648 1187720256 /nfs/dbraw/zinc/72/02/56/1187720256.db2.gz LDUZEOSCDUWCNS-MAUKXSAKSA-N 1 0 348.487 2.397 10 10 EECERO COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001485139915 1191669991 /nfs/dbraw/zinc/66/99/91/1191669991.db2.gz NCZZCHIFOZEYFD-OLZOCXBDSA-N 1 0 347.415 2.297 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000865017940 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QJGGGNNZIYZPCO-BFHYXJOUSA-N 1 0 337.439 2.183 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)cc2)CC1 ZINC000827680403 1248637629 /nfs/dbraw/zinc/63/76/29/1248637629.db2.gz SAXKRMAXZBJZOF-RDJZCZTQSA-N 1 0 345.487 2.388 10 10 EECERO COC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000850488649 1277241581 /nfs/dbraw/zinc/24/15/81/1277241581.db2.gz OIGDQEBBAXTJAW-QFBILLFUSA-N 1 0 334.460 2.305 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]C3CCN([C@@H]4CCOC4)CC3)C2)cc1 ZINC000850487824 1277245121 /nfs/dbraw/zinc/24/51/21/1277245121.db2.gz PKLQIWFXIOLYNA-IEBWSBKVSA-N 1 0 345.487 2.117 10 10 EECERO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3cn(C)nn3)C2)c1O ZINC001198612219 1285251300 /nfs/dbraw/zinc/25/13/00/1285251300.db2.gz LODPXWKXZKMTFO-GFCCVEGCSA-N 1 0 332.379 2.242 10 10 EECERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852182193 1292030116 /nfs/dbraw/zinc/03/01/16/1292030116.db2.gz TUTXJGLKIXSFJW-CVEARBPZSA-N 1 0 348.491 2.303 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C3CC3)C2)cc1 ZINC000852190790 1292034633 /nfs/dbraw/zinc/03/46/33/1292034633.db2.gz HGHHFVNLSQTMMH-LSDHHAIUSA-N 1 0 346.475 2.056 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000852843883 1292213141 /nfs/dbraw/zinc/21/31/41/1292213141.db2.gz JCTUJFYEGBXWBE-CRAIPNDOSA-N 1 0 325.412 2.090 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@@](C)([NH3+])c3ccccc3)C2)cc1 ZINC000852900112 1292228212 /nfs/dbraw/zinc/22/82/12/1292228212.db2.gz IGHWCLHZNOJEKE-UZLBHIALSA-N 1 0 339.439 2.264 10 10 EECERO Cc1cccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O ZINC000856534998 1293559668 /nfs/dbraw/zinc/55/96/68/1293559668.db2.gz KKMXXDITCCFQBV-DLBZAZTESA-N 1 0 325.412 2.051 10 10 EECERO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)ccc1O ZINC000858434765 1294116593 /nfs/dbraw/zinc/11/65/93/1294116593.db2.gz OSNSJGSBCLOKGF-JOYOIKCWSA-N 1 0 340.221 2.272 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CCOC2)cc1C ZINC001277622716 1304023771 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C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(N(C)C)cc1 ZINC000841882357 1315630270 /nfs/dbraw/zinc/63/02/70/1315630270.db2.gz XYNIYPUODVUGOE-OIISXLGYSA-N 1 0 330.476 2.455 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001295225216 1329791231 /nfs/dbraw/zinc/79/12/31/1329791231.db2.gz QXASHPUIFPCSCV-GDBMZVCRSA-N 1 0 330.428 2.116 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)c2cnn(C)c2)cc1C ZINC001317670205 1332362126 /nfs/dbraw/zinc/36/21/26/1332362126.db2.gz URVDOBBWNARBAF-OAHLLOKOSA-N 1 0 344.459 2.089 10 10 EECERO CCCOCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001673855636 1356750371 /nfs/dbraw/zinc/75/03/71/1356750371.db2.gz UDUCIWZSWMKLHF-DOTOQJQBSA-N 1 0 334.460 2.367 10 10 EECERO CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001683426045 1358190932 /nfs/dbraw/zinc/19/09/32/1358190932.db2.gz UGIIYWYZIYGLAD-MAUKXSAKSA-N 1 0 332.492 2.385 10 10 EECERO C[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000846674271 790366916 /nfs/dbraw/zinc/36/69/16/790366916.db2.gz VUMVVWQFBXGHFQ-KYNGSXCRSA-N 1 0 343.471 2.231 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)C2)cc1 ZINC000846681656 790392979 /nfs/dbraw/zinc/39/29/79/790392979.db2.gz ASCFTDXSMVCFFU-ZMYBRWDISA-N 1 0 343.471 2.168 10 10 EECERO Cc1cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1N1CCCCC1 ZINC000847042436 790858353 /nfs/dbraw/zinc/85/83/53/790858353.db2.gz AMYOUQULHJKDLS-RBUKOAKNSA-N 1 0 329.488 2.236 10 10 EECERO Oc1ccc(Br)cc1C[NH2+]Cc1cnc2cnccn12 ZINC000809713648 783328456 /nfs/dbraw/zinc/32/84/56/783328456.db2.gz WDYBJRHCLPWDTC-UHFFFAOYSA-N 1 0 333.189 2.487 10 10 EECERO OC[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCc2ccccc21 ZINC000846012206 790021940 /nfs/dbraw/zinc/02/19/40/790021940.db2.gz WUZZKVFCCXKUFP-LJQANCHMSA-N 1 0 327.380 2.087 10 10 EECERO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(OC)cc1O ZINC000846204908 790090395 /nfs/dbraw/zinc/09/03/95/790090395.db2.gz LEZNVFZMJNQNAO-UHFFFAOYSA-N 1 0 329.400 2.120 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccnnc2C)cc1C ZINC001498064991 1106872490 /nfs/dbraw/zinc/87/24/90/1106872490.db2.gz GAZGFOALBOUEFZ-ZDUSSCGKSA-N 1 0 328.416 2.010 10 10 EECERO Cc1cc(NC(=O)c2cccc(O)c2O)ccc1N1CC[NH+](C)CC1 ZINC001540662664 1124089439 /nfs/dbraw/zinc/08/94/39/1124089439.db2.gz XHYJVURPGXWTDT-UHFFFAOYSA-N 1 0 341.411 2.410 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cccnc2)cc1C ZINC001568807489 1124823160 /nfs/dbraw/zinc/82/31/60/1124823160.db2.gz QHLPIIODHXMQGA-ARJAWSKDSA-N 1 0 325.412 2.474 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)Oc1ccccc1O3)OCO2 ZINC000288568763 464050474 /nfs/dbraw/zinc/05/04/74/464050474.db2.gz KBZSRHQJVGPWHK-UHFFFAOYSA-N 1 0 327.336 2.494 10 10 EECERO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccc(O)c3O)CC2)C[C@H](C)O1 ZINC000187067032 464095263 /nfs/dbraw/zinc/09/52/63/464095263.db2.gz QNYCMZUQRYMLNZ-OKILXGFUSA-N 1 0 348.443 2.059 10 10 EECERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1O ZINC000271661281 464356820 /nfs/dbraw/zinc/35/68/20/464356820.db2.gz DJZUTLHFMPUADW-JKSUJKDBSA-N 1 0 328.416 2.362 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000265008703 464506443 /nfs/dbraw/zinc/50/64/43/464506443.db2.gz WRCHHKQFRKTELW-HZRUHFOJSA-N 1 0 333.388 2.169 10 10 EECERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3O)C2=O)n(C)n1 ZINC000183662246 464894135 /nfs/dbraw/zinc/89/41/35/464894135.db2.gz PPBCLOOZXVTMNG-HIFRSBDPSA-N 1 0 328.416 2.280 10 10 EECERO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccccc1 ZINC000295594790 464894927 /nfs/dbraw/zinc/89/49/27/464894927.db2.gz TXTZIJAMJRXFEM-CJNGLKHVSA-N 1 0 330.359 2.412 10 10 EECERO Oc1cccc([C@H]2CN(Cc3cc4c(cc3O)OCO4)CCO2)c1 ZINC000372399733 466351916 /nfs/dbraw/zinc/35/19/16/466351916.db2.gz TVJXYUSYULCGGK-GOSISDBHSA-N 1 0 329.352 2.400 10 10 EECERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(OCC)ccc1O ZINC000364326263 466694374 /nfs/dbraw/zinc/69/43/74/466694374.db2.gz GASLKYRKJLQETC-ZBFHGGJFSA-N 1 0 337.416 2.333 10 10 EECERO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000291833732 528856988 /nfs/dbraw/zinc/85/69/88/528856988.db2.gz OGANDPGJJJXXFU-GOSISDBHSA-N 1 0 333.476 2.210 10 10 EECERO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376019431 529124119 /nfs/dbraw/zinc/12/41/19/529124119.db2.gz AQFDYDADMXSBQF-HXUWFJFHSA-N 1 0 346.471 2.293 10 10 EECERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000774686125 577411153 /nfs/dbraw/zinc/41/11/53/577411153.db2.gz AIDCFROILRSMHR-IAGOWNOFSA-N 1 0 333.428 2.423 10 10 EECERO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000776224371 577454978 /nfs/dbraw/zinc/45/49/78/577454978.db2.gz SVGICXJGDDLBKR-NHYWBVRUSA-N 1 0 348.834 2.371 10 10 EECERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(N(C)C)cc1 ZINC000776237565 577455384 /nfs/dbraw/zinc/45/53/84/577455384.db2.gz HHJJETFBVQDWIA-QAPCUYQASA-N 1 0 328.460 2.469 10 10 EECERO COC(=O)/C=C\c1ccc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000768525690 577557687 /nfs/dbraw/zinc/55/76/87/577557687.db2.gz JPKKRICCMXZDHZ-SVSNBYFCSA-N 1 0 333.388 2.310 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C(C)C)C1)cc2=O ZINC000755993542 577835889 /nfs/dbraw/zinc/83/58/89/577835889.db2.gz CXSKUQBXQBSQFS-GFCCVEGCSA-N 1 0 332.404 2.090 10 10 EECERO COc1ccc(N2CCC(NC(=O)c3c[nH+]ccc3N)CC2)cc1 ZINC000188161454 679511847 /nfs/dbraw/zinc/51/18/47/679511847.db2.gz XASOKVYGMMLQAJ-UHFFFAOYSA-N 1 0 326.400 2.071 10 10 EECERO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000120839877 683179356 /nfs/dbraw/zinc/17/93/56/683179356.db2.gz FUOUMFQALQKSQO-MRXNPFEDSA-N 1 0 332.444 2.080 10 10 EECERO C[N@@H+]1C[C@H]2CCN(Cc3cc(Br)cc(F)c3[O-])[C@@H]2C1 ZINC000894843791 683182340 /nfs/dbraw/zinc/18/23/40/683182340.db2.gz YSBDQQZCWSXKPK-NOZJJQNGSA-N 1 0 329.213 2.430 10 10 EECERO CCO[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691133716 1177622808 /nfs/dbraw/zinc/62/28/08/1177622808.db2.gz RWLTWDCRFKPTLA-DJIMGWMZSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2cc(C)on2)cc1C ZINC001482088140 1183320312 /nfs/dbraw/zinc/32/03/12/1183320312.db2.gz DBWAQNQNJHMVNC-ZDUSSCGKSA-N 1 0 345.443 2.385 10 10 EECERO CC[C@@H](CNC(=O)C1CC(OC)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269417973 1184253947 /nfs/dbraw/zinc/25/39/47/1184253947.db2.gz UVETXLUZBRXHQS-CGZBRXJRSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1C ZINC001269494306 1184316805 /nfs/dbraw/zinc/31/68/05/1184316805.db2.gz YAEAMJKJOBDVGG-NUJGCVRESA-N 1 0 344.455 2.310 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2[nH]cnc2C)cc1C ZINC001271237225 1186099050 /nfs/dbraw/zinc/09/90/50/1186099050.db2.gz AKLWVWXRZYJFSN-CYBMUJFWSA-N 1 0 330.432 2.285 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841831783 1187909069 /nfs/dbraw/zinc/90/90/69/1187909069.db2.gz FLIBBPJOCNKLNC-CALCHBBNSA-N 1 0 326.444 2.099 10 10 EECERO Nc1ccc(CCNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000841955834 1188208400 /nfs/dbraw/zinc/20/84/00/1188208400.db2.gz PGHVIFYTHJEJIH-UHFFFAOYSA-N 1 0 342.487 2.264 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001484489184 1191380819 /nfs/dbraw/zinc/38/08/19/1191380819.db2.gz JGFPWSSQVADTGB-YLJYHZDGSA-N 1 0 346.471 2.104 10 10 EECERO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Cl ZINC000825779785 1199219089 /nfs/dbraw/zinc/21/90/89/1199219089.db2.gz OXUGWPXNFMBFCJ-RISCZKNCSA-N 1 0 346.880 2.162 10 10 EECERO CC(=O)c1cc(Cl)cc(CN2CCC[C@](O)(C[NH+](C)C)C2)c1O ZINC000878868148 1200720530 /nfs/dbraw/zinc/72/05/30/1200720530.db2.gz NBUWEGDHXSVGLN-KRWDZBQOSA-N 1 0 340.851 2.137 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933674173 1207812277 /nfs/dbraw/zinc/81/22/77/1207812277.db2.gz JECRSDOLZYCWHB-AZUAARDMSA-N 1 0 346.471 2.151 10 10 EECERO COCC[N@H+]1[C@H](C)CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000093478931 1214882339 /nfs/dbraw/zinc/88/23/39/1214882339.db2.gz RSIDILIXWMRNDY-HDICACEKSA-N 1 0 347.503 2.064 10 10 EECERO CCc1nc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001491437516 1259081506 /nfs/dbraw/zinc/08/15/06/1259081506.db2.gz KSHAGJXYWYMVCC-CYBMUJFWSA-N 1 0 331.416 2.462 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@H](OC)[C@@H]3CCOC3)CC2)cc1 ZINC000850343033 1277184605 /nfs/dbraw/zinc/18/46/05/1277184605.db2.gz PUFKKEBSOAZKDX-BEFAXECRSA-N 1 0 334.460 2.305 10 10 EECERO COc1cc(Br)cc(C[NH2+][C@@H](CO)C2CCC2)c1O ZINC000850350420 1277194224 /nfs/dbraw/zinc/19/42/24/1277194224.db2.gz RHTZKEVGJYRGGW-LBPRGKRZSA-N 1 0 330.222 2.414 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@H](C)CO1 ZINC001273522866 1279140560 /nfs/dbraw/zinc/14/05/60/1279140560.db2.gz ZCJBKHIBVHBJPN-KSSFIOAISA-N 1 0 334.460 2.367 10 10 EECERO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])COC(C)C)cc1F ZINC000852804418 1292202888 /nfs/dbraw/zinc/20/28/88/1292202888.db2.gz ARCRYZYSEVWMDG-HNNXBMFYSA-N 1 0 325.428 2.040 10 10 EECERO CC(C)([NH3+])c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)on1 ZINC000852884520 1292224351 /nfs/dbraw/zinc/22/43/51/1292224351.db2.gz KOHUIWJZXCLXSP-UHFFFAOYSA-N 1 0 329.400 2.383 10 10 EECERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1 ZINC000858488642 1294131893 /nfs/dbraw/zinc/13/18/93/1294131893.db2.gz JHNDMPGZYJNZJN-ZIAGYGMSSA-N 1 0 338.415 2.068 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000841759424 1315609389 /nfs/dbraw/zinc/60/93/89/1315609389.db2.gz FVFRZRYNKSVTGN-GOSISDBHSA-N 1 0 334.439 2.177 10 10 EECERO O=C(NCCCSc1nccs1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841855625 1315624260 /nfs/dbraw/zinc/62/42/60/1315624260.db2.gz CKUAXTDVUISRAZ-HNNXBMFYSA-N 1 0 340.518 2.410 10 10 EECERO CCC(CC)CS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785144 1315773304 /nfs/dbraw/zinc/77/33/04/1315773304.db2.gz QEENGELYEGLEHT-INIZCTEOSA-N 1 0 327.494 2.108 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]2(C)C=CCC2)cc1C ZINC001284437084 1326554740 /nfs/dbraw/zinc/55/47/40/1326554740.db2.gz WWBBMFQSPGECPY-XLIONFOSSA-N 1 0 346.471 2.269 10 10 EECERO COc1c([O-])c(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959262 1331618656 /nfs/dbraw/zinc/61/86/56/1331618656.db2.gz DDOKFPQUNITBIU-KRWDZBQOSA-N 1 0 335.404 2.275 10 10 EECERO CO[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001324285191 1333649388 /nfs/dbraw/zinc/64/93/88/1333649388.db2.gz FYDPNMRITDVQEP-DOMZBBRYSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2C=CCCC2)cc1C ZINC001331738791 1335065303 /nfs/dbraw/zinc/06/53/03/1335065303.db2.gz IZARDDTWJRXTLG-SJLPKXTDSA-N 1 0 346.471 2.317 10 10 EECERO Cc1cc(C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)ccc1N1CCCCC1 ZINC001620536446 1352360163 /nfs/dbraw/zinc/36/01/63/1352360163.db2.gz VEKTUCHAYLRETE-INIZCTEOSA-N 1 0 326.448 2.488 10 10 EECERO Cc1cc[nH]c(=O)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001603556209 1350718966 /nfs/dbraw/zinc/71/89/66/1350718966.db2.gz WNSUQQRYXYYWML-MRXNPFEDSA-N 1 0 342.443 2.194 10 10 EECERO Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(O)c1O ZINC001624819130 1352431633 /nfs/dbraw/zinc/43/16/33/1352431633.db2.gz NNDHTGYWXMIBHS-FVQHAEBGSA-N 1 0 338.407 2.266 10 10 EECERO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001661694442 1354674003 /nfs/dbraw/zinc/67/40/03/1354674003.db2.gz PTJNEAMWZNSBTF-BNOWGMLFSA-N 1 0 335.383 2.448 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2cc(C)on2)cc1C ZINC001666870872 1355606823 /nfs/dbraw/zinc/60/68/23/1355606823.db2.gz PHWOYIXNWXJBGD-CQSZACIVSA-N 1 0 345.443 2.479 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001667801694 1355816566 /nfs/dbraw/zinc/81/65/66/1355816566.db2.gz BPNHKJVWUQPEBA-HNNXBMFYSA-N 1 0 348.487 2.253 10 10 EECERO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669618896 1356185160 /nfs/dbraw/zinc/18/51/60/1356185160.db2.gz YQIRIRSCWVDCAT-UAGQMJEPSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(C)[nH]c2=O)cc1C ZINC001669674396 1356193248 /nfs/dbraw/zinc/19/32/48/1356193248.db2.gz YFHWZLDHMRJGPO-AWEZNQCLSA-N 1 0 343.427 2.321 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3cn[nH]c3)C2)cc1C ZINC001672744150 1356573735 /nfs/dbraw/zinc/57/37/35/1356573735.db2.gz GWCLNUFFHQWYNM-OAHLLOKOSA-N 1 0 342.443 2.369 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](O)C(C)C)C(C)C)cc1C ZINC001698965363 1405190732 /nfs/dbraw/zinc/19/07/32/1405190732.db2.gz RUPJQKAQGYYYMN-FUHWJXTLSA-N 1 0 336.476 2.251 10 10 EECERO COc1cc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c(O)cc1C ZINC000184106763 782630482 /nfs/dbraw/zinc/63/04/82/782630482.db2.gz LBCWQYLDNNKCQP-UHFFFAOYSA-N 1 0 328.416 2.130 10 10 EECERO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H](O)CO ZINC000817418016 784768754 /nfs/dbraw/zinc/76/87/54/784768754.db2.gz XQWCQVJPDXKBTQ-CQSZACIVSA-N 1 0 334.382 2.335 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1 ZINC000823776354 787931621 /nfs/dbraw/zinc/93/16/21/787931621.db2.gz NZVCNZLMNLVMLC-IAOVAPTHSA-N 1 0 340.427 2.165 10 10 EECERO OC1(C2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 ZINC000846009366 790021565 /nfs/dbraw/zinc/02/15/65/790021565.db2.gz YCFIHINVWYASBM-UHFFFAOYSA-N 1 0 334.435 2.399 10 10 EECERO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC1(C)C ZINC000785467032 799726427 /nfs/dbraw/zinc/72/64/27/799726427.db2.gz VACIXIJPCDALBJ-RHSMWYFYSA-N 1 0 336.501 2.446 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NCC23CCC[NH+](CCC2)C3)cc1 ZINC001169403364 803725302 /nfs/dbraw/zinc/72/53/02/803725302.db2.gz YUJSJNNNKPTAQB-UHFFFAOYSA-N 1 0 329.404 2.455 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC001471871574 1110534214 /nfs/dbraw/zinc/53/42/14/1110534214.db2.gz SFBKPMCOQPVMMM-ZIAGYGMSSA-N 1 0 347.444 2.159 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cnc(C)n2C)cc1C ZINC001507118169 1115117675 /nfs/dbraw/zinc/11/76/75/1115117675.db2.gz MLRUPTFNLJQDFN-CQSZACIVSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccnnc2)cc1C ZINC001568681712 1124694089 /nfs/dbraw/zinc/69/40/89/1124694089.db2.gz WHOBNWBPTKTQNR-CQSZACIVSA-N 1 0 328.416 2.092 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000527951459 317291307 /nfs/dbraw/zinc/29/13/07/317291307.db2.gz BPSJQIIOYRCTRP-MCCGJVOXSA-N 1 0 348.212 2.484 10 10 EECERO COc1cc(N2CCN(Cc3n[nH]cc3C)CC2)cc(OC)c1OC ZINC000290881022 464134993 /nfs/dbraw/zinc/13/49/93/464134993.db2.gz MBVLAJNBXZFSFY-UHFFFAOYSA-N 1 0 346.431 2.066 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292373879 464211818 /nfs/dbraw/zinc/21/18/18/464211818.db2.gz SFXXIJBAHSDTSM-JXTAAOLFSA-N 1 0 345.399 2.313 10 10 EECERO COCCN1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1=O ZINC000189299511 464470538 /nfs/dbraw/zinc/47/05/38/464470538.db2.gz BXJLDXQYUCTKCC-UHFFFAOYSA-N 1 0 328.412 2.226 10 10 EECERO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccccc1 ZINC000295594793 464895048 /nfs/dbraw/zinc/89/50/48/464895048.db2.gz TXTZIJAMJRXFEM-CZUORRHYSA-N 1 0 330.359 2.412 10 10 EECERO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc3c(cc1O)OCO3)C[C@H](C)O2 ZINC000373719445 466898272 /nfs/dbraw/zinc/89/82/72/466898272.db2.gz LHAZHWXCNPYMCB-VBHSOAQHSA-N 1 0 335.400 2.279 10 10 EECERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000774685509 577411085 /nfs/dbraw/zinc/41/10/85/577411085.db2.gz BQEXBMDDTHTZSB-LSDHHAIUSA-N 1 0 337.416 2.252 10 10 EECERO COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000747558811 577946281 /nfs/dbraw/zinc/94/62/81/577946281.db2.gz YLTMHRWZDHMVCL-LBPRGKRZSA-N 1 0 347.419 2.042 10 10 EECERO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000740867062 578108397 /nfs/dbraw/zinc/10/83/97/578108397.db2.gz LPIRIKABXHHYCB-CYBMUJFWSA-N 1 0 349.452 2.421 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1OC ZINC000895678303 684679200 /nfs/dbraw/zinc/67/92/00/684679200.db2.gz SRNXKXBZRUZHEL-LLVKDONJSA-N 1 0 345.264 2.058 10 10 EECERO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814813 684734464 /nfs/dbraw/zinc/73/44/64/684734464.db2.gz UZTVCCIOKIIJKK-DLBZAZTESA-N 1 0 333.501 2.372 10 10 EECERO CC[C@@H](CNC(=O)c1ccnnc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267811414 1180566007 /nfs/dbraw/zinc/56/60/07/1180566007.db2.gz SMBIQDCCPJGVLX-INIZCTEOSA-N 1 0 342.443 2.400 10 10 EECERO COc1cc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001268359277 1182327496 /nfs/dbraw/zinc/32/74/96/1182327496.db2.gz QABABQYFEQYKQL-ZDUSSCGKSA-N 1 0 347.415 2.298 10 10 EECERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841989851 1188216285 /nfs/dbraw/zinc/21/62/85/1188216285.db2.gz RLMDCGPQKYDNIV-HYVNUMGLSA-N 1 0 347.459 2.081 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2CC(OC)C2)cc1C ZINC001274736647 1205147865 /nfs/dbraw/zinc/14/78/65/1205147865.db2.gz PUOXBLWENWQEPD-OOHWJJMZSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC34CCOCC4)C2)cc1 ZINC000926611356 1206230880 /nfs/dbraw/zinc/23/08/80/1206230880.db2.gz LAKWYSBWAZCWJZ-VQIMIIECSA-N 1 0 346.471 2.449 10 10 EECERO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000929317190 1206464521 /nfs/dbraw/zinc/46/45/21/1206464521.db2.gz VYJPUUMMHMPECY-MAUKXSAKSA-N 1 0 332.444 2.407 10 10 EECERO C[NH+](C)CCn1nccc1NC(=O)NCc1cccc(Cl)c1O ZINC000931566499 1207414563 /nfs/dbraw/zinc/41/45/63/1207414563.db2.gz FPYSWAZAOAPOEF-UHFFFAOYSA-N 1 0 337.811 2.125 10 10 EECERO COC[C@]1(C(=O)OC)CCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000827488831 1248189676 /nfs/dbraw/zinc/18/96/76/1248189676.db2.gz MDHBRKVNDRCIAZ-WPGJWXSHSA-N 1 0 332.444 2.420 10 10 EECERO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000827537797 1248415945 /nfs/dbraw/zinc/41/59/45/1248415945.db2.gz HWPNRONJCVOHCW-QZTJIDSGSA-N 1 0 332.444 2.134 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000850116593 1277043651 /nfs/dbraw/zinc/04/36/51/1277043651.db2.gz PDDBYLUHPRFLDC-FSPWUOQZSA-N 1 0 332.444 2.451 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850330891 1277176199 /nfs/dbraw/zinc/17/61/99/1277176199.db2.gz TVNQNWBJQRCXIG-LBTBCDHLSA-N 1 0 332.444 2.309 10 10 EECERO COC[C@H](CC[NH2+]Cc1cc(Br)cc(OC)c1O)OC ZINC000850345199 1277190246 /nfs/dbraw/zinc/19/02/46/1277190246.db2.gz OERHGPGXNOYYEZ-LBPRGKRZSA-N 1 0 348.237 2.304 10 10 EECERO Cc1cncc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000850390873 1277211310 /nfs/dbraw/zinc/21/13/10/1277211310.db2.gz WIZCXRSCLBMAIR-UHFFFAOYSA-N 1 0 330.407 2.093 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)CCC3CC[NH2+]CC3)C2)cc1 ZINC000852844569 1292214538 /nfs/dbraw/zinc/21/45/38/1292214538.db2.gz WKEGHOLQXFADDS-MRXNPFEDSA-N 1 0 331.460 2.170 10 10 EECERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1O ZINC000858565349 1294155692 /nfs/dbraw/zinc/15/56/92/1294155692.db2.gz MXMDREHKPHYKTN-RDJZCZTQSA-N 1 0 327.428 2.339 10 10 EECERO C[NH+]1C[C@]2(C)CN(Cc3ccc(N4CCOCC4)cc3)C[C@@]2(C)C1 ZINC000931315837 1297133022 /nfs/dbraw/zinc/13/30/22/1297133022.db2.gz BZHYAFVIIOOUTC-WOJBJXKFSA-N 1 0 329.488 2.297 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnnc(C)c3)CC2)cc1C ZINC001277043954 1300996880 /nfs/dbraw/zinc/99/68/80/1300996880.db2.gz UUEVJDYUSYNXCZ-UHFFFAOYSA-N 1 0 340.427 2.154 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccnnc3C)CC2)cc1C ZINC001277109519 1301309237 /nfs/dbraw/zinc/30/92/37/1301309237.db2.gz YZFRMQNJDKWYGO-UHFFFAOYSA-N 1 0 340.427 2.154 10 10 EECERO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000694754329 1304134702 /nfs/dbraw/zinc/13/47/02/1304134702.db2.gz RZYUISJPBWYXRU-IBGZPJMESA-N 1 0 325.456 2.298 10 10 EECERO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000840185590 1315320573 /nfs/dbraw/zinc/32/05/73/1315320573.db2.gz HANBOASOCFVTKX-CYBMUJFWSA-N 1 0 325.430 2.047 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841709886 1315601782 /nfs/dbraw/zinc/60/17/82/1315601782.db2.gz OCNUPQAHILYPHY-SFHVURJKSA-N 1 0 328.460 2.323 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1F ZINC000841797935 1315614842 /nfs/dbraw/zinc/61/48/42/1315614842.db2.gz CXWVJHRSZRCDIQ-CZUORRHYSA-N 1 0 336.455 2.469 10 10 EECERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850611 1315623002 /nfs/dbraw/zinc/62/30/02/1315623002.db2.gz YHBWFSVGJXWIKT-RISCZKNCSA-N 1 0 330.457 2.044 10 10 EECERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000843427988 1315913275 /nfs/dbraw/zinc/91/32/75/1315913275.db2.gz DZKAZOWFNYDQCR-KRWDZBQOSA-N 1 0 344.503 2.229 10 10 EECERO COc1ccc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001155574160 1317657339 /nfs/dbraw/zinc/65/73/39/1317657339.db2.gz FWTFPRBPRDWBKC-MSOLQXFVSA-N 1 0 340.423 2.362 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2ccon2)cc1C ZINC001283591178 1326149824 /nfs/dbraw/zinc/14/98/24/1326149824.db2.gz HYQBANKZLAPQJU-CQSZACIVSA-N 1 0 331.416 2.171 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc[nH]c(=O)c2)cc1C ZINC001283595378 1326152135 /nfs/dbraw/zinc/15/21/35/1326152135.db2.gz UNEZTYBALMDTIG-AWEZNQCLSA-N 1 0 343.427 2.355 10 10 EECERO CC[C@@H](CNC(=O)Cn1cc(C)cn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318501740 1332552776 /nfs/dbraw/zinc/55/27/76/1332552776.db2.gz HZKORXQQSVVBIS-KRWDZBQOSA-N 1 0 344.459 2.193 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC=CCC2)cc1C ZINC001320261402 1332853470 /nfs/dbraw/zinc/85/34/70/1332853470.db2.gz XGHSSLDRWWODLK-WMZOPIPTSA-N 1 0 346.471 2.317 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@]23CCOC3)cc1C ZINC001322780246 1333324942 /nfs/dbraw/zinc/32/49/42/1333324942.db2.gz OOHSLWNJCWDCEO-PXNSSMCTSA-N 1 0 346.471 2.368 10 10 EECERO C[C@H]([NH3+])CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001329239059 1334612835 /nfs/dbraw/zinc/61/28/35/1334612835.db2.gz IGOSGWDKUPCNEX-YJBOKZPZSA-N 1 0 333.476 2.388 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(C)n[nH]2)cc1C ZINC001331393723 1335007418 /nfs/dbraw/zinc/00/74/18/1335007418.db2.gz RUTWUGZZRGAQOX-AWEZNQCLSA-N 1 0 330.432 2.285 10 10 EECERO COc1ccc(N2CC[NH+](CCCNc3nc(C)no3)CC2)cc1 ZINC001338680976 1336893284 /nfs/dbraw/zinc/89/32/84/1336893284.db2.gz HIOQFDIBLLECDB-UHFFFAOYSA-N 1 0 331.420 2.011 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1O ZINC000848534311 1338716676 /nfs/dbraw/zinc/71/66/76/1338716676.db2.gz ZFFRLKSJSUXWFN-HTQZYQBOSA-N 1 0 331.210 2.078 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cccc(=O)[nH]2)cc1C ZINC001570456383 1343072831 /nfs/dbraw/zinc/07/28/31/1343072831.db2.gz OXLIIGTVICUCLB-AWEZNQCLSA-N 1 0 343.427 2.402 10 10 EECERO CCCC[C@@H](O)CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001589179957 1348966492 /nfs/dbraw/zinc/96/64/92/1348966492.db2.gz SXCZJMFATJGLGX-LJQANCHMSA-N 1 0 347.503 2.386 10 10 EECERO Cc1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC001597975256 1349934104 /nfs/dbraw/zinc/93/41/04/1349934104.db2.gz ZXMHLOXKHXONTH-MRXNPFEDSA-N 1 0 328.412 2.368 10 10 EECERO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC001659815819 1354387466 /nfs/dbraw/zinc/38/74/66/1354387466.db2.gz VGMOLINIBOJZQP-LBPRGKRZSA-N 1 0 328.368 2.468 10 10 EECERO CC[C@@H]1CCO[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001663991929 1355069485 /nfs/dbraw/zinc/06/94/85/1355069485.db2.gz FBIWBUQJBRDYLB-AEFFLSMTSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccnc(C)n2)cc1C ZINC001668315367 1355922135 /nfs/dbraw/zinc/92/21/35/1355922135.db2.gz PBSTYCZVVWCEQC-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000824559138 788214646 /nfs/dbraw/zinc/21/46/46/788214646.db2.gz HKNWYOPHOMHOKQ-AWEZNQCLSA-N 1 0 332.238 2.340 10 10 EECERO Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1O ZINC000846102327 790062841 /nfs/dbraw/zinc/06/28/41/790062841.db2.gz DDGPYTSUQLOIRU-OAVHHTNSSA-N 1 0 330.247 2.168 10 10 EECERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Br)cc1O ZINC000846191049 790084290 /nfs/dbraw/zinc/08/42/90/790084290.db2.gz AHXMXPKTRCNYMX-HZMBPMFUSA-N 1 0 330.222 2.347 10 10 EECERO CC(C)n1ccnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001176083827 798330850 /nfs/dbraw/zinc/33/08/50/798330850.db2.gz SZMIGDSRIJLVEI-UHFFFAOYSA-N 1 0 341.459 2.146 10 10 EECERO CCC/C=C/[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001180180024 800288748 /nfs/dbraw/zinc/28/87/48/800288748.db2.gz TVDVDCDYVSFGLI-XDIYQJDNSA-N 1 0 333.476 2.189 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001497034361 1101865980 /nfs/dbraw/zinc/86/59/80/1101865980.db2.gz WCFXNSJVYGBQQG-SJORKVTESA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001452830390 1105715636 /nfs/dbraw/zinc/71/56/36/1105715636.db2.gz CPOMYAWFUAWYNS-IYBDPMFKSA-N 1 0 333.476 2.463 10 10 EECERO c1cn(C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000092070135 237033869 /nfs/dbraw/zinc/03/38/69/237033869.db2.gz MBJMUTHVTXXPOL-SFHVURJKSA-N 1 0 341.459 2.027 10 10 EECERO COc1cc(O)c(C[NH+]2CCC(Nc3cccnn3)CC2)cc1OC ZINC000160285893 237236838 /nfs/dbraw/zinc/23/68/38/237236838.db2.gz PLBNKAQZUGZJNT-UHFFFAOYSA-N 1 0 344.415 2.276 10 10 EECERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000065578608 462801389 /nfs/dbraw/zinc/80/13/89/462801389.db2.gz XZFLZOQDBWYEJC-CYBMUJFWSA-N 1 0 348.443 2.494 10 10 EECERO COc1ccc(O)c(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)c1 ZINC000180103449 464242231 /nfs/dbraw/zinc/24/22/31/464242231.db2.gz XMQYSOWMLPHHOU-UHFFFAOYSA-N 1 0 344.459 2.069 10 10 EECERO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000271727699 464370585 /nfs/dbraw/zinc/37/05/85/464370585.db2.gz MFKQSJYXYSJMRI-CQSZACIVSA-N 1 0 346.880 2.258 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000246014261 464534188 /nfs/dbraw/zinc/53/41/88/464534188.db2.gz ZBIUAWSJNQONGS-YQQAZPJKSA-N 1 0 334.460 2.474 10 10 EECERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(C)c3O)C2=O)n(C)n1 ZINC000182482807 464666011 /nfs/dbraw/zinc/66/60/11/464666011.db2.gz RPRRDMOLKDTLHO-OAHLLOKOSA-N 1 0 328.416 2.028 10 10 EECERO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1O ZINC000377721308 467125868 /nfs/dbraw/zinc/12/58/68/467125868.db2.gz MICSRKZGIWDNSZ-CYBMUJFWSA-N 1 0 328.416 2.543 10 10 EECERO CC[NH2+][C@H](C)c1ccc(N2CCNC(=O)C2)c(Br)c1 ZINC000061694441 535516321 /nfs/dbraw/zinc/51/63/21/535516321.db2.gz JAUBSBDLOKNAKK-SNVBAGLBSA-N 1 0 326.238 2.056 10 10 EECERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773307000 577331816 /nfs/dbraw/zinc/33/18/16/577331816.db2.gz NBXNRWIIXHPTNQ-QAPCUYQASA-N 1 0 348.491 2.224 10 10 EECERO CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000769326422 577575083 /nfs/dbraw/zinc/57/50/83/577575083.db2.gz LZCWACXEODZWOV-KRWDZBQOSA-N 1 0 333.451 2.331 10 10 EECERO COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000747558810 577946318 /nfs/dbraw/zinc/94/63/18/577946318.db2.gz YLTMHRWZDHMVCL-GFCCVEGCSA-N 1 0 347.419 2.042 10 10 EECERO C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000914201115 683356171 /nfs/dbraw/zinc/35/61/71/683356171.db2.gz XCLXVWVDRFSGCA-YOEHRIQHSA-N 1 0 348.516 2.132 10 10 EECERO CC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)C(=O)OC ZINC000895119273 683969698 /nfs/dbraw/zinc/96/96/98/683969698.db2.gz BRNFYOQLDUPEJP-VIFPVBQESA-N 1 0 346.221 2.452 10 10 EECERO CCOc1ccc(O)c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1 ZINC000895345283 684521805 /nfs/dbraw/zinc/52/18/05/684521805.db2.gz ZDIVYNPGSVWAHT-OAHLLOKOSA-N 1 0 333.432 2.171 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CCOCC2)C2CC2)cc1C ZINC001266393562 1176467131 /nfs/dbraw/zinc/46/71/31/1176467131.db2.gz ZXTSHIHDTKIWNG-GOSISDBHSA-N 1 0 346.471 2.415 10 10 EECERO CC[C@@H](CNC(=O)Cn1cncc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267811666 1180565012 /nfs/dbraw/zinc/56/50/12/1180565012.db2.gz MFCQOSDPUZMKCT-KRWDZBQOSA-N 1 0 344.459 2.193 10 10 EECERO CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267819649 1180579462 /nfs/dbraw/zinc/57/94/62/1180579462.db2.gz HAPVTZAKESQIFL-YJBOKZPZSA-N 1 0 347.503 2.330 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2=CCOCC2)cc1C ZINC001268534778 1183194225 /nfs/dbraw/zinc/19/42/25/1183194225.db2.gz RAKTYYKYTFBRKM-ONEGZZNKSA-N 1 0 330.428 2.112 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccc(=O)[nH]c1 ZINC001482967285 1187905031 /nfs/dbraw/zinc/90/50/31/1187905031.db2.gz GPEZWWOPJKFMAG-UHFFFAOYSA-N 1 0 343.427 2.356 10 10 EECERO COc1cc(C)cc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c1O ZINC000905703451 1189874171 /nfs/dbraw/zinc/87/41/71/1189874171.db2.gz BGOMJEZGRWUPIO-SFHVURJKSA-N 1 0 334.416 2.420 10 10 EECERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)CC(C)(C)O)C2)cc1C ZINC001272419342 1190809155 /nfs/dbraw/zinc/80/91/55/1190809155.db2.gz GXUGIXYOMJRRGY-INIZCTEOSA-N 1 0 348.487 2.493 10 10 EECERO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc2ccccc2c1O ZINC000866520999 1201539721 /nfs/dbraw/zinc/53/97/21/1201539721.db2.gz JLIBCHSLMQJHID-YJYMSZOUSA-N 1 0 342.395 2.417 10 10 EECERO C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000868750880 1201871582 /nfs/dbraw/zinc/87/15/82/1201871582.db2.gz XSZAFILWBBFTAN-APIJFGDWSA-N 1 0 335.448 2.250 10 10 EECERO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 ZINC000925055695 1206066071 /nfs/dbraw/zinc/06/60/71/1206066071.db2.gz PEIYVIQBURQHNF-KVSKMBFKSA-N 1 0 346.496 2.366 10 10 EECERO CN(C)c1ccc(/C=C\CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699461 1248655739 /nfs/dbraw/zinc/65/57/39/1248655739.db2.gz HQMQOSRRWPVZDF-HZQHCPKGSA-N 1 0 329.488 2.297 10 10 EECERO C[N@@H+]1CCC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000827529175 1248382395 /nfs/dbraw/zinc/38/23/95/1248382395.db2.gz INPVLTCHXSBIQT-CQSZACIVSA-N 1 0 330.457 2.140 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827545243 1248408234 /nfs/dbraw/zinc/40/82/34/1248408234.db2.gz XROYQNZWRMRSTJ-ZDUSSCGKSA-N 1 0 341.839 2.242 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000850429123 1277222451 /nfs/dbraw/zinc/22/24/51/1277222451.db2.gz PPUHNYJKZPNRQG-KRWDZBQOSA-N 1 0 345.487 2.118 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]C3CCC(NC(C)=O)CC3)C2)cc1 ZINC000850487616 1277244430 /nfs/dbraw/zinc/24/44/30/1277244430.db2.gz IKZXETILYLDHDJ-OFLPRAFFSA-N 1 0 331.460 2.311 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ncccn2)cc1C ZINC001483499412 1277873119 /nfs/dbraw/zinc/87/31/19/1277873119.db2.gz LDBJOGVYTBUVRI-UHFFFAOYSA-N 1 0 328.416 2.046 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000852844137 1292213563 /nfs/dbraw/zinc/21/35/63/1292213563.db2.gz QVIFQEQPIRXKGZ-ULQDDVLXSA-N 1 0 345.487 2.416 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1C ZINC000858305887 1294077335 /nfs/dbraw/zinc/07/73/35/1294077335.db2.gz DELGNICYIVQWTB-LJQANCHMSA-N 1 0 341.455 2.395 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@@H]3CCCCO3)CC2)cc1 ZINC000858358342 1294094686 /nfs/dbraw/zinc/09/46/86/1294094686.db2.gz CYGOTICZLXGIMU-XLIONFOSSA-N 1 0 347.503 2.364 10 10 EECERO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Br)cc1O ZINC000858434171 1294116830 /nfs/dbraw/zinc/11/68/30/1294116830.db2.gz CIGKFWURZVXGEE-JOYOIKCWSA-N 1 0 340.221 2.272 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861557809 1295456071 /nfs/dbraw/zinc/45/60/71/1295456071.db2.gz VKPDBZVERYBQBF-QGZVFWFLSA-N 1 0 328.460 2.371 10 10 EECERO O=C(NCc1cc(Br)ccc1O)C12CCC[NH+]1CCC2 ZINC001117269470 1306016909 /nfs/dbraw/zinc/01/69/09/1306016909.db2.gz OIWPYEYFPCHJKU-UHFFFAOYSA-N 1 0 339.233 2.399 10 10 EECERO COC(=O)c1c(C[NH2+]CC2(CCO)CC2)c2cc(F)ccc2n1C ZINC001119513863 1309095749 /nfs/dbraw/zinc/09/57/49/1309095749.db2.gz VFSCKLHAPUKYQG-UHFFFAOYSA-N 1 0 334.391 2.356 10 10 EECERO CN1CCC(CNC(=O)Nc2ccc(N)cc2)([NH+]2CCCCC2)CC1 ZINC000841301049 1315524982 /nfs/dbraw/zinc/52/49/82/1315524982.db2.gz YCCZSRPJKBUMAM-UHFFFAOYSA-N 1 0 345.491 2.341 10 10 EECERO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001158716921 1319396991 /nfs/dbraw/zinc/39/69/91/1319396991.db2.gz IPVFHWVAPABUMS-NKGKWGDASA-N 1 0 333.476 2.143 10 10 EECERO COc1ccc(C[NH2+]CC2(NC(=O)C(F)F)CCOCC2)cc1C ZINC001281193553 1324852680 /nfs/dbraw/zinc/85/26/80/1324852680.db2.gz TYYBEIDUQJJZHW-UHFFFAOYSA-N 1 0 342.386 2.024 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CCOC2)cc1C ZINC001492000068 1330390858 /nfs/dbraw/zinc/39/08/58/1330390858.db2.gz QKMLQYUQZRPFTK-NVXWUHKLSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@H]3CCCC[C@@H]3[NH3+])CC2)cc1 ZINC001326421851 1334090615 /nfs/dbraw/zinc/09/06/15/1334090615.db2.gz YHZRMOBTQOGMFQ-ROUUACIJSA-N 1 0 331.460 2.251 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)cc1 ZINC001332686255 1335882368 /nfs/dbraw/zinc/88/23/68/1335882368.db2.gz TUIXDVXZHGSWAJ-SNRMKQJTSA-N 1 0 332.444 2.011 10 10 EECERO COC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O)OC ZINC000848543857 1338718008 /nfs/dbraw/zinc/71/80/08/1338718008.db2.gz HTAFFCZZALTDKC-MWLCHTKSSA-N 1 0 348.237 2.475 10 10 EECERO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC001655349761 1354170922 /nfs/dbraw/zinc/17/09/22/1354170922.db2.gz RTRJZZXOIGSECZ-GFCCVEGCSA-N 1 0 348.424 2.085 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)C[C@@H](C)CN2CCOCC2)cc1 ZINC001659281537 1354378354 /nfs/dbraw/zinc/37/83/54/1354378354.db2.gz ZWOVZVXXAKIIMZ-QGZVFWFLSA-N 1 0 335.492 2.032 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc(C)cn2)cc1C ZINC001666519418 1355538317 /nfs/dbraw/zinc/53/83/17/1355538317.db2.gz GPDHIZVGKMIDTE-AWEZNQCLSA-N 1 0 344.459 2.051 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)n2cccn2)cc1C ZINC001668721104 1355992628 /nfs/dbraw/zinc/99/26/28/1355992628.db2.gz UJQWKKWUXKQHGK-YIEVGGLXSA-N 1 0 342.443 2.223 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)c2ccccc2)cc1C ZINC001672575898 1356556936 /nfs/dbraw/zinc/55/69/36/1356556936.db2.gz JVAINYNHAVVECV-UHFFFAOYSA-N 1 0 342.439 2.228 10 10 EECERO COC[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001675727153 1357043902 /nfs/dbraw/zinc/04/39/02/1357043902.db2.gz UBYNYUQBKVGXIB-DJIMGWMZSA-N 1 0 334.460 2.271 10 10 EECERO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925782109 775635959 /nfs/dbraw/zinc/63/59/59/775635959.db2.gz KXOMYPKJUOCKLC-PWSUYJOCSA-N 1 0 328.359 2.074 10 10 EECERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000818362121 785256649 /nfs/dbraw/zinc/25/66/49/785256649.db2.gz PPPUPAFZVRDUHA-PBHICJAKSA-N 1 0 329.444 2.475 10 10 EECERO COC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000846027385 790027082 /nfs/dbraw/zinc/02/70/82/790027082.db2.gz OGNIMAYDSKFUDX-UHFFFAOYSA-N 1 0 344.205 2.349 10 10 EECERO COc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1OC ZINC000903984396 796377041 /nfs/dbraw/zinc/37/70/41/796377041.db2.gz VNHVUMUMWNBDIQ-MNOVXSKESA-N 1 0 334.338 2.121 10 10 EECERO CCCC[N@H+](CCC(=O)N(C)CC(=O)OC)Cc1ccccc1O ZINC001473423894 1110575430 /nfs/dbraw/zinc/57/54/30/1110575430.db2.gz FPYPOVXCSACRGY-UHFFFAOYSA-N 1 0 336.432 2.016 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CCOC2)cc1C ZINC001507058352 1115086500 /nfs/dbraw/zinc/08/65/00/1115086500.db2.gz HECZYTHHWFUGNP-DOTOQJQBSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cnc3n2CCC3)cc1C ZINC001568998102 1125030201 /nfs/dbraw/zinc/03/02/01/1125030201.db2.gz UPSIAPREHGHBPP-CQSZACIVSA-N 1 0 342.443 2.054 10 10 EECERO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000193438727 529780456 /nfs/dbraw/zinc/78/04/56/529780456.db2.gz PNRSRNBZYXLKEW-HXUWFJFHSA-N 1 0 330.520 2.355 10 10 EECERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000193074587 237362936 /nfs/dbraw/zinc/36/29/36/237362936.db2.gz BMNLILFMLWPONB-BBRMVZONSA-N 1 0 341.411 2.133 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000527950774 317291435 /nfs/dbraw/zinc/29/14/35/317291435.db2.gz ATRKTVWIBZXNPZ-ZEGGKSINSA-N 1 0 348.212 2.484 10 10 EECERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000089937473 462747751 /nfs/dbraw/zinc/74/77/51/462747751.db2.gz WMOYPTKLKMYPHX-KSSFIOAISA-N 1 0 349.450 2.009 10 10 EECERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000283919236 464042255 /nfs/dbraw/zinc/04/22/55/464042255.db2.gz IRNWZSGVBVVOAS-GXTWGEPZSA-N 1 0 346.265 2.402 10 10 EECERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000774677439 577410378 /nfs/dbraw/zinc/41/03/78/577410378.db2.gz DLJVXHNABSIBGU-HUUCEWRRSA-N 1 0 344.411 2.483 10 10 EECERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753737591 577792524 /nfs/dbraw/zinc/79/25/24/577792524.db2.gz GUAHCUWOUPRUDW-KRWDZBQOSA-N 1 0 349.450 2.357 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc[nH]c(=O)c2)cc1C ZINC001482273317 1184935542 /nfs/dbraw/zinc/93/55/42/1184935542.db2.gz RBQCYJGUEGWIAL-CQSZACIVSA-N 1 0 343.427 2.355 10 10 EECERO CCC([NH3+])(CC)CNC(=O)NCc1cc(Br)ccc1O ZINC000841955048 1188208353 /nfs/dbraw/zinc/20/83/53/1188208353.db2.gz UBKSXADMVZBICA-UHFFFAOYSA-N 1 0 344.253 2.471 10 10 EECERO O=C(NCc1cc(Br)ccc1O)N[C@H]1CCC[NH2+]CC1 ZINC000841978305 1188212444 /nfs/dbraw/zinc/21/24/44/1188212444.db2.gz MQYUGJSTOZNPGW-LBPRGKRZSA-N 1 0 342.237 2.096 10 10 EECERO CC[N@@H+]1CC[C@H](Cn2c(C)nnc2N(C)Cc2ccccc2O)C1 ZINC001746397164 1189473576 /nfs/dbraw/zinc/47/35/76/1189473576.db2.gz ZDLJNEPOXDHFHE-HNNXBMFYSA-N 1 0 329.448 2.270 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C2CCCCC2)cc1C ZINC001485968525 1193656642 /nfs/dbraw/zinc/65/66/42/1193656642.db2.gz FZUGPPXDWZRMKY-KRWDZBQOSA-N 1 0 334.460 2.151 10 10 EECERO COCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001484360753 1191317723 /nfs/dbraw/zinc/31/77/23/1191317723.db2.gz LLDFKPQTBFEKCR-DOTOQJQBSA-N 1 0 334.460 2.224 10 10 EECERO Fc1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)ccc1N1CCOCC1 ZINC000865692506 1198334759 /nfs/dbraw/zinc/33/47/59/1198334759.db2.gz LXMLGOSXQKVPAK-QERJWTBHSA-N 1 0 332.419 2.175 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933674180 1207812236 /nfs/dbraw/zinc/81/22/36/1207812236.db2.gz JECRSDOLZYCWHB-UYAOXDASSA-N 1 0 346.471 2.151 10 10 EECERO COc1cc(O)c(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1OC ZINC000826904294 1248116939 /nfs/dbraw/zinc/11/69/39/1248116939.db2.gz ZOCKBTVVIFXSSJ-NWANDNLSSA-N 1 0 339.432 2.065 10 10 EECERO COc1ccc(N2CCCN(Cc3cn(CC4CC4)nn3)CC2)cc1 ZINC000827467817 1248161585 /nfs/dbraw/zinc/16/15/85/1248161585.db2.gz FLHUXMFFRJZCAV-UHFFFAOYSA-N 1 0 341.459 2.409 10 10 EECERO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000850484958 1277240232 /nfs/dbraw/zinc/24/02/32/1277240232.db2.gz VJCMAYWUDLQEMQ-SZVBFZGTSA-N 1 0 334.460 2.225 10 10 EECERO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000850484957 1277240361 /nfs/dbraw/zinc/24/03/61/1277240361.db2.gz VJCMAYWUDLQEMQ-KVSKMBFKSA-N 1 0 334.460 2.225 10 10 EECERO COC[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000850485527 1277243427 /nfs/dbraw/zinc/24/34/27/1277243427.db2.gz KRTFVVUWGGKGQU-HOCLYGCPSA-N 1 0 340.439 2.364 10 10 EECERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccccc1O ZINC001197005181 1284397915 /nfs/dbraw/zinc/39/79/15/1284397915.db2.gz ZRWMKNQLUVQOLY-ZDUSSCGKSA-N 1 0 327.384 2.069 10 10 EECERO NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000857067547 1293712665 /nfs/dbraw/zinc/71/26/65/1293712665.db2.gz NPHWIBMQHSEFQG-UHFFFAOYSA-N 1 0 347.365 2.092 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1F ZINC000858186388 1294037367 /nfs/dbraw/zinc/03/73/67/1294037367.db2.gz AHUAUEJGWSGFHT-JOCHJYFZSA-N 1 0 344.349 2.431 10 10 EECERO COc1ccc(N2CC[NH+](CCCNc3nccnc3F)CC2)cc1 ZINC000858326148 1294083801 /nfs/dbraw/zinc/08/38/01/1294083801.db2.gz GRLNBHWSRDYEMY-UHFFFAOYSA-N 1 0 345.422 2.249 10 10 EECERO CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(C)cc1O ZINC000858465373 1294124665 /nfs/dbraw/zinc/12/46/65/1294124665.db2.gz FBRHPPFAUZTREJ-FXAWDEMLSA-N 1 0 348.487 2.357 10 10 EECERO COc1cc(C[N@@H+]2CCN(CCO)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001118577655 1308888291 /nfs/dbraw/zinc/88/82/91/1308888291.db2.gz JBVKCAOYKAFWAU-AWEZNQCLSA-N 1 0 336.476 2.197 10 10 EECERO COc1cc(C[N@@H+]2CCN(CCO)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001118577656 1308888550 /nfs/dbraw/zinc/88/85/50/1308888550.db2.gz JBVKCAOYKAFWAU-CQSZACIVSA-N 1 0 336.476 2.197 10 10 EECERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707530 1315600853 /nfs/dbraw/zinc/60/08/53/1315600853.db2.gz VDKRSZXOCHASJL-YOEHRIQHSA-N 1 0 348.516 2.037 10 10 EECERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841852059 1315623787 /nfs/dbraw/zinc/62/37/87/1315623787.db2.gz WPUYNSJLFFGZSY-FZMZJTMJSA-N 1 0 330.457 2.044 10 10 EECERO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1C[NH2+]CCC1(F)F ZINC000842003168 1315650271 /nfs/dbraw/zinc/65/02/71/1315650271.db2.gz INSCCOKFJUIGAQ-HNNXBMFYSA-N 1 0 339.386 2.067 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723152 1315761644 /nfs/dbraw/zinc/76/16/44/1315761644.db2.gz YZLPASJRUVOZBS-MRXNPFEDSA-N 1 0 346.452 2.077 10 10 EECERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673372 1322151604 /nfs/dbraw/zinc/15/16/04/1322151604.db2.gz RQEXVYMDWLSFLL-SFHVURJKSA-N 1 0 330.476 2.475 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CC(C)(C)O)C2)cc1C ZINC001264419664 1322696313 /nfs/dbraw/zinc/69/63/13/1322696313.db2.gz ACKGFBRAYUHSEF-WKILWMFISA-N 1 0 334.460 2.149 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[C@H]3[NH3+])C2)cc1 ZINC001327960960 1334370755 /nfs/dbraw/zinc/37/07/55/1334370755.db2.gz HOXKTGARVNOATF-ZTFGCOKTSA-N 1 0 331.460 2.155 10 10 EECERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2c(O)cccc2Br)CC1=O ZINC001348085182 1337536495 /nfs/dbraw/zinc/53/64/95/1337536495.db2.gz FNGMTGPVBIKKGC-BREBYQMCSA-N 1 0 339.233 2.254 10 10 EECERO C[C@@H](CN1CCOCC1)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001652842086 1354105423 /nfs/dbraw/zinc/10/54/23/1354105423.db2.gz IIYHWYMTEXRYAE-PKOBYXMFSA-N 1 0 348.487 2.342 10 10 EECERO COc1cccc(O)c1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000824516520 788198506 /nfs/dbraw/zinc/19/85/06/788198506.db2.gz MHHQLFJDKVDQBN-GFCCVEGCSA-N 1 0 333.409 2.062 10 10 EECERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000824575881 788221620 /nfs/dbraw/zinc/22/16/20/788221620.db2.gz STOXDRSUNLKNAK-ONGXEEELSA-N 1 0 327.222 2.241 10 10 EECERO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1O ZINC000846143631 790073584 /nfs/dbraw/zinc/07/35/84/790073584.db2.gz DEOQTMRZQHXYIV-KGLIPLIRSA-N 1 0 330.432 2.454 10 10 EECERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC001175426487 798104380 /nfs/dbraw/zinc/10/43/80/798104380.db2.gz JIFHLRQQTBVJIJ-NWDGAFQWSA-N 1 0 327.384 2.169 10 10 EECERO CC(F)(F)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000808465781 812668426 /nfs/dbraw/zinc/66/84/26/812668426.db2.gz JJPBXMNGEJQPPN-UHFFFAOYSA-N 1 0 337.414 2.490 10 10 EECERO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001443566187 1098060652 /nfs/dbraw/zinc/06/06/52/1098060652.db2.gz DQVSZLZAOUEYGE-UHFFFAOYSA-N 1 0 349.435 2.279 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1C[C@]12CCOC2 ZINC001497482747 1102559563 /nfs/dbraw/zinc/55/95/63/1102559563.db2.gz QIGFRXZVUCHZTG-XLIONFOSSA-N 1 0 346.471 2.368 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnn(CCF)c2)cc1C ZINC001493609639 1108399371 /nfs/dbraw/zinc/39/93/71/1108399371.db2.gz OYWNCTNWDCPRCO-UHFFFAOYSA-N 1 0 348.422 2.031 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001465889788 1110425400 /nfs/dbraw/zinc/42/54/00/1110425400.db2.gz MHQHODIIYDCWLN-WMZOPIPTSA-N 1 0 345.487 2.464 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cnn(C)c2C)cc1C ZINC001507045267 1115078932 /nfs/dbraw/zinc/07/89/32/1115078932.db2.gz COEGCHYYXHRDDL-AWEZNQCLSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)/C=C(/C)C2CC2)cc1C ZINC001507467879 1115284190 /nfs/dbraw/zinc/28/41/90/1115284190.db2.gz OPKCBCGDIAAPKC-BLSFAOBESA-N 1 0 346.471 2.269 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2c(C)cnn2C)cc1C ZINC001568667779 1124682068 /nfs/dbraw/zinc/68/20/68/1124682068.db2.gz JNYXKEVTAIDAJV-OAHLLOKOSA-N 1 0 344.459 2.344 10 10 EECERO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180103286 464242173 /nfs/dbraw/zinc/24/21/73/464242173.db2.gz GBQVEMOFLAHEGA-UHFFFAOYSA-N 1 0 328.460 2.369 10 10 EECERO CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(O)c1 ZINC000245753552 464513002 /nfs/dbraw/zinc/51/30/02/464513002.db2.gz OFYGNCMOUBROCJ-QAPCUYQASA-N 1 0 334.460 2.334 10 10 EECERO COc1cccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1O ZINC000189897785 464562013 /nfs/dbraw/zinc/56/20/13/464562013.db2.gz XPTSFTHVRZKJTL-UHFFFAOYSA-N 1 0 328.416 2.324 10 10 EECERO CC[C@H]([NH2+]CCn1cncn1)c1cc(Br)ccc1O ZINC000274911438 464759393 /nfs/dbraw/zinc/75/93/93/464759393.db2.gz NHHSIFADYCNETA-LBPRGKRZSA-N 1 0 325.210 2.487 10 10 EECERO CN(C)c1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000372468985 466402748 /nfs/dbraw/zinc/40/27/48/466402748.db2.gz PURSCZGSYFVFDK-VVFCZOMOSA-N 1 0 349.450 2.040 10 10 EECERO COC(=O)/C=C/c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364738858 466713797 /nfs/dbraw/zinc/71/37/97/466713797.db2.gz JULXBTZLFAZPEY-PMGBHYCQSA-N 1 0 345.399 2.456 10 10 EECERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000772981049 577308782 /nfs/dbraw/zinc/30/87/82/577308782.db2.gz BFVIVHYHBZHLEU-HLIUYOAVSA-N 1 0 349.450 2.357 10 10 EECERO CCN(C)c1ccc(C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)cc1 ZINC000773852148 577368951 /nfs/dbraw/zinc/36/89/51/577368951.db2.gz XGLAVBCYKYHKRD-UHFFFAOYSA-N 1 0 333.476 2.212 10 10 EECERO COC(=O)c1c(C[NH2+]C[C@H](O)C2CCC2)c2cc(F)ccc2n1C ZINC000894941805 683423025 /nfs/dbraw/zinc/42/30/25/683423025.db2.gz NSDLWZNIKFWGDN-INIZCTEOSA-N 1 0 334.391 2.355 10 10 EECERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]Cc1cncs1 ZINC001266996142 1178054266 /nfs/dbraw/zinc/05/42/66/1178054266.db2.gz NHRYDFONZLMJCP-JTQLQIEISA-N 1 0 346.416 2.214 10 10 EECERO COC[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267032926 1178124207 /nfs/dbraw/zinc/12/42/07/1178124207.db2.gz NMLBLOBRKAEEIO-DOTOQJQBSA-N 1 0 334.460 2.224 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccnn2C)C(C)C)cc1C ZINC001268205906 1182007213 /nfs/dbraw/zinc/00/72/13/1182007213.db2.gz OGYRBSXHHXLRLG-INIZCTEOSA-N 1 0 344.459 2.281 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2n[nH]c3c2CCC3)cc1C ZINC001483144437 1188752519 /nfs/dbraw/zinc/75/25/19/1188752519.db2.gz OEEVVPMSSYLYTA-CYBMUJFWSA-N 1 0 342.443 2.124 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@]2(F)CCOC2)cc1C ZINC001485914584 1193638607 /nfs/dbraw/zinc/63/86/07/1193638607.db2.gz MFMGXQSNTCXGDY-RDTXWAMCSA-N 1 0 338.423 2.069 10 10 EECERO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1O ZINC000932781870 1207677120 /nfs/dbraw/zinc/67/71/20/1207677120.db2.gz YOGQOFQQYMLWBK-OAHLLOKOSA-N 1 0 336.363 2.054 10 10 EECERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1O ZINC000850545661 1277265194 /nfs/dbraw/zinc/26/51/94/1277265194.db2.gz DHVWDSSEMXMIQN-ONGXEEELSA-N 1 0 327.222 2.392 10 10 EECERO Nc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850751601 1277325570 /nfs/dbraw/zinc/32/55/70/1277325570.db2.gz DJOZWTLPGPMBLJ-SFHVURJKSA-N 1 0 340.427 2.157 10 10 EECERO CCN(CC)c1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)cc1F ZINC000851656270 1277703497 /nfs/dbraw/zinc/70/34/97/1277703497.db2.gz HTZYJUYAFIRQLN-UHFFFAOYSA-N 1 0 334.439 2.223 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cccnn2)C2CC2)cc1C ZINC001490725026 1291610225 /nfs/dbraw/zinc/61/02/25/1291610225.db2.gz WJKIFKHMTGRQTF-QGZVFWFLSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)[N@H+](C)C3CC3)C2)cc1 ZINC000852190787 1292034121 /nfs/dbraw/zinc/03/41/21/1292034121.db2.gz HGHHFVNLSQTMMH-CABCVRRESA-N 1 0 346.475 2.056 10 10 EECERO CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000854297749 1292708975 /nfs/dbraw/zinc/70/89/75/1292708975.db2.gz WDMNZNSXIMXMDO-RDJZCZTQSA-N 1 0 346.475 2.010 10 10 EECERO CCOC(=O)C[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000859190309 1294345024 /nfs/dbraw/zinc/34/50/24/1294345024.db2.gz JOKJMXIYKPKTLP-OAHLLOKOSA-N 1 0 333.384 2.302 10 10 EECERO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000840185092 1315320795 /nfs/dbraw/zinc/32/07/95/1315320795.db2.gz DBFZVWAVMJVPSF-CYBMUJFWSA-N 1 0 325.430 2.047 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000840269592 1315341178 /nfs/dbraw/zinc/34/11/78/1315341178.db2.gz YMONEHZPXRGFJK-NVXWUHKLSA-N 1 0 332.492 2.385 10 10 EECERO CCN(CCC[NH2+]Cc1c(O)cc(C)cc1Cl)S(C)(=O)=O ZINC000840879228 1315426794 /nfs/dbraw/zinc/42/67/94/1315426794.db2.gz NDAUZIDNRZCIAE-UHFFFAOYSA-N 1 0 334.869 2.115 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1F ZINC000841798955 1315615254 /nfs/dbraw/zinc/61/52/54/1315615254.db2.gz OEYSGGUXDOUWCQ-CJNGLKHVSA-N 1 0 336.455 2.469 10 10 EECERO CC(C)[NH2+]CCCNC(=O)NCc1cc(Br)ccc1O ZINC000841934459 1315641028 /nfs/dbraw/zinc/64/10/28/1315641028.db2.gz WIWGBDCUGDQHBN-UHFFFAOYSA-N 1 0 344.253 2.342 10 10 EECERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842003625 1315650342 /nfs/dbraw/zinc/65/03/42/1315650342.db2.gz NUVQHRZZYZOOGH-OAHLLOKOSA-N 1 0 340.418 2.281 10 10 EECERO CCc1nccn1[C@@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296561 1315883858 /nfs/dbraw/zinc/88/38/58/1315883858.db2.gz AXLOVFJBBVXOKN-YOEHRIQHSA-N 1 0 343.475 2.279 10 10 EECERO Cc1c(C[N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)cnn1C ZINC001256253586 1318695854 /nfs/dbraw/zinc/69/58/54/1318695854.db2.gz BOQXHQKUYKXPFY-UHFFFAOYSA-N 1 0 345.466 2.251 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)c2ccsc2)cc1C ZINC001325969351 1334008248 /nfs/dbraw/zinc/00/82/48/1334008248.db2.gz LMRWTCJEXXZUPU-UHFFFAOYSA-N 1 0 348.468 2.289 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2cnoc2)cc1C ZINC001570627040 1343093785 /nfs/dbraw/zinc/09/37/85/1343093785.db2.gz ISUCRKQGGMESME-ZIAGYGMSSA-N 1 0 331.416 2.217 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ncccn2)cc1C ZINC001676446311 1357151043 /nfs/dbraw/zinc/15/10/43/1357151043.db2.gz BGALFSOWZDXHBW-AWEZNQCLSA-N 1 0 328.416 2.044 10 10 EECERO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1([NH+](C)C)CCCC1 ZINC001624537345 1352423725 /nfs/dbraw/zinc/42/37/25/1352423725.db2.gz KTVBACHJFWYXDJ-UHFFFAOYSA-N 1 0 345.487 2.356 10 10 EECERO O=C(NCc1c(O)cccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001652626542 1354097962 /nfs/dbraw/zinc/09/79/62/1354097962.db2.gz YJDXDEVAZAJDTK-HNNXBMFYSA-N 1 0 326.396 2.236 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cncc2C)cc1C ZINC001674700527 1356878795 /nfs/dbraw/zinc/87/87/95/1356878795.db2.gz MLCNBQRDRPISRJ-JKSUJKDBSA-N 1 0 344.459 2.192 10 10 EECERO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001683426047 1358190568 /nfs/dbraw/zinc/19/05/68/1358190568.db2.gz UGIIYWYZIYGLAD-YJBOKZPZSA-N 1 0 332.492 2.385 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2cncs2)cc1C ZINC001699409637 1405349132 /nfs/dbraw/zinc/34/91/32/1405349132.db2.gz TUAGNIKWOBRSMW-ZDUSSCGKSA-N 1 0 333.457 2.297 10 10 EECERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925782105 775632210 /nfs/dbraw/zinc/63/22/10/775632210.db2.gz KXOMYPKJUOCKLC-CMPLNLGQSA-N 1 0 328.359 2.074 10 10 EECERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925782107 775632703 /nfs/dbraw/zinc/63/27/03/775632703.db2.gz KXOMYPKJUOCKLC-JQWIXIFHSA-N 1 0 328.359 2.074 10 10 EECERO COC(=O)N[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000707133756 786138776 /nfs/dbraw/zinc/13/87/76/786138776.db2.gz ZNGUSDRAIUMWDF-VIFPVBQESA-N 1 0 329.194 2.085 10 10 EECERO O[C@@H]([C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000825124204 788447647 /nfs/dbraw/zinc/44/76/47/788447647.db2.gz JZWQHUWYDCJDJE-HOCLYGCPSA-N 1 0 344.377 2.268 10 10 EECERO C[C@H]1[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000925344853 793656583 /nfs/dbraw/zinc/65/65/83/793656583.db2.gz RJYOOGITZRWLMN-JOYOIKCWSA-N 1 0 342.237 2.047 10 10 EECERO Cc1cc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nn1C ZINC000922686307 801665709 /nfs/dbraw/zinc/66/57/09/801665709.db2.gz SBGDWQUZFRGWTB-UHFFFAOYSA-N 1 0 328.460 2.022 10 10 EECERO CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000922851179 802077112 /nfs/dbraw/zinc/07/71/12/802077112.db2.gz NCCXUDSIJMXEOY-AGUYFDCRSA-N 1 0 326.437 2.090 10 10 EECERO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000787278508 807064255 /nfs/dbraw/zinc/06/42/55/807064255.db2.gz FUOLVKZWMNYKCB-SWLSCSKDSA-N 1 0 332.366 2.487 10 10 EECERO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)Oc1ccccc1O3)[C@@H](O)CO2 ZINC000808239083 812550685 /nfs/dbraw/zinc/55/06/85/812550685.db2.gz SKTXYYVYVAVVFM-HNNXBMFYSA-N 1 0 341.363 2.191 10 10 EECERO Cc1ccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+]2CCCC2)o1 ZINC001442886764 1097282575 /nfs/dbraw/zinc/28/25/75/1097282575.db2.gz SILLOYHJBAFWIY-HNNXBMFYSA-N 1 0 344.411 2.495 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](O)C(C)C)CCC2)cc1C ZINC001501946298 1113533215 /nfs/dbraw/zinc/53/32/15/1113533215.db2.gz DNQLPNWUXBWJCX-QGZVFWFLSA-N 1 0 334.460 2.149 10 10 EECERO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@H+]1CC=CCC1 ZINC001513793396 1118741088 /nfs/dbraw/zinc/74/10/88/1118741088.db2.gz GVYOIAQMGDEUAK-UHFFFAOYSA-N 1 0 341.459 2.444 10 10 EECERO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+]1CCc2sccc2C1 ZINC001542634709 1124115079 /nfs/dbraw/zinc/11/50/79/1124115079.db2.gz PSULWWAAXMHOOG-GFCCVEGCSA-N 1 0 346.452 2.265 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2csnn2)C2CC2)cc1C ZINC001569313434 1125223859 /nfs/dbraw/zinc/22/38/59/1125223859.db2.gz YBHQRLYEUAKWGK-AWEZNQCLSA-N 1 0 346.456 2.153 10 10 EECERO COc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000092075937 533482709 /nfs/dbraw/zinc/48/27/09/533482709.db2.gz KRRLKCUQDUWVNU-MRXNPFEDSA-N 1 0 326.396 2.464 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000155705741 462931536 /nfs/dbraw/zinc/93/15/36/462931536.db2.gz CIZBEAOUUWEIIN-IBGZPJMESA-N 1 0 340.471 2.443 10 10 EECERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Br)ccc1O ZINC000185993191 463919399 /nfs/dbraw/zinc/91/93/99/463919399.db2.gz VTQLLVYGECSLHJ-KOLCDFICSA-N 1 0 337.221 2.412 10 10 EECERO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000285095689 464452494 /nfs/dbraw/zinc/45/24/94/464452494.db2.gz MYTSVVMQWLVELF-HNNXBMFYSA-N 1 0 348.468 2.401 10 10 EECERO CN(C)c1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000372468984 466403477 /nfs/dbraw/zinc/40/34/77/466403477.db2.gz PURSCZGSYFVFDK-URKNILKWSA-N 1 0 349.450 2.040 10 10 EECERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2ccc(N)cc2)cc1 ZINC000375052477 466787873 /nfs/dbraw/zinc/78/78/73/466787873.db2.gz YZMDYKUTSWFIDT-OALUTQOASA-N 1 0 339.439 2.082 10 10 EECERO C[C@@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000775836999 577446958 /nfs/dbraw/zinc/44/69/58/577446958.db2.gz QAFNUCLTDJDWQL-KDOFPFPSSA-N 1 0 331.460 2.041 10 10 EECERO C[NH+]1CCN(c2ccc(CNc3ncn(C(C)(C)C)n3)cc2)CC1 ZINC000765950764 577509907 /nfs/dbraw/zinc/50/99/07/577509907.db2.gz VRLCCMMSJQIJOL-UHFFFAOYSA-N 1 0 328.464 2.397 10 10 EECERO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000766093533 577512789 /nfs/dbraw/zinc/51/27/89/577512789.db2.gz HKCLROJHJKTXKA-GOEBONIOSA-N 1 0 331.460 2.298 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000757404851 577859522 /nfs/dbraw/zinc/85/95/22/577859522.db2.gz GBJBOTHQCPICPW-IEBWSBKVSA-N 1 0 345.487 2.212 10 10 EECERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1 ZINC000757657817 577861997 /nfs/dbraw/zinc/86/19/97/577861997.db2.gz QZIGTHWNGOGTNR-ZBFHGGJFSA-N 1 0 342.443 2.276 10 10 EECERO Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(O)c1O ZINC000177674980 681443374 /nfs/dbraw/zinc/44/33/74/681443374.db2.gz QLXLEBVKFHAQJX-HNNXBMFYSA-N 1 0 328.412 2.309 10 10 EECERO COc1cc(C)cc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1O ZINC000895342060 684519254 /nfs/dbraw/zinc/51/92/54/684519254.db2.gz DNHVLCIPSGAENQ-OAHLLOKOSA-N 1 0 333.432 2.089 10 10 EECERO C[N@H+](CCF)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267708950 1180230434 /nfs/dbraw/zinc/23/04/34/1180230434.db2.gz RYGZYVHDAGNQTB-LBPRGKRZSA-N 1 0 335.383 2.212 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cc(C)ncn2)cc1C ZINC001270386501 1185066062 /nfs/dbraw/zinc/06/60/62/1185066062.db2.gz UKOXLGAPFZEYCT-CYBMUJFWSA-N 1 0 342.443 2.258 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCOC2)C(C)C)cc1C ZINC001271816403 1186516239 /nfs/dbraw/zinc/51/62/39/1186516239.db2.gz YJXXBBRDQRZCPS-SJORKVTESA-N 1 0 334.460 2.271 10 10 EECERO COCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001484360761 1191317751 /nfs/dbraw/zinc/31/77/51/1191317751.db2.gz LLDFKPQTBFEKCR-RDJZCZTQSA-N 1 0 334.460 2.224 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CC1(F)F ZINC000827684395 1248640685 /nfs/dbraw/zinc/64/06/85/1248640685.db2.gz DJIASBVMEJIBPT-KRWDZBQOSA-N 1 0 349.425 2.490 10 10 EECERO COc1cccc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000872118778 1198049267 /nfs/dbraw/zinc/04/92/67/1198049267.db2.gz IGKLXUVNSSLQIQ-FUDCBSFHSA-N 1 0 339.457 2.407 10 10 EECERO COCC[C@H](COC)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000810173964 1199352165 /nfs/dbraw/zinc/35/21/65/1199352165.db2.gz LRZWBISZXUFBQA-GFCCVEGCSA-N 1 0 348.237 2.304 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2nn(C)cc2C)cc1C ZINC001274018113 1204325564 /nfs/dbraw/zinc/32/55/64/1204325564.db2.gz XQOLJRPMJUCUJA-AATRIKPKSA-N 1 0 342.443 2.121 10 10 EECERO C[NH+]1CCC(n2ccc(NC(=O)N3Cc4cccc(O)c4C3)n2)CC1 ZINC000931127701 1206609272 /nfs/dbraw/zinc/60/92/72/1206609272.db2.gz WPTYOSIGHGOMGG-UHFFFAOYSA-N 1 0 341.415 2.403 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900292763 1234168850 /nfs/dbraw/zinc/16/88/50/1234168850.db2.gz JGJXRXSIXLWBBW-FQEVSTJZSA-N 1 0 347.503 2.336 10 10 EECERO CO[C@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000826951660 1248209557 /nfs/dbraw/zinc/20/95/57/1248209557.db2.gz AFLMZJCBHYUWIY-CQSZACIVSA-N 1 0 330.222 2.128 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000850076658 1277021998 /nfs/dbraw/zinc/02/19/98/1277021998.db2.gz AEQUMIXIPBKHQN-LTCOOKNTSA-N 1 0 332.444 2.371 10 10 EECERO CCOc1cccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1O ZINC000850343397 1277185108 /nfs/dbraw/zinc/18/51/08/1277185108.db2.gz SLVHMEXQTJVLLA-UHFFFAOYSA-N 1 0 327.446 2.095 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000851663529 1277707262 /nfs/dbraw/zinc/70/72/62/1277707262.db2.gz BCIHHUKWSYBVFJ-VKJFTORMSA-N 1 0 346.475 2.091 10 10 EECERO O=C(NCC12CC(C1)C[NH2+]2)N(Cc1ccco1)Cc1ccccc1O ZINC000851677122 1277714459 /nfs/dbraw/zinc/71/44/59/1277714459.db2.gz LXQIPPFCNNQLGF-UHFFFAOYSA-N 1 0 341.411 2.449 10 10 EECERO [NH3+]C1(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000852869334 1292221409 /nfs/dbraw/zinc/22/14/09/1292221409.db2.gz CODUAZCKVPZMJY-GFCCVEGCSA-N 1 0 339.386 2.254 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N(C)CC[N@H+](C)C3CC3)C2)cc1 ZINC000854298934 1292710187 /nfs/dbraw/zinc/71/01/87/1292710187.db2.gz KLURPBKMMAAAEA-HNNXBMFYSA-N 1 0 346.475 2.010 10 10 EECERO CC(=O)C(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC000859954870 1294725041 /nfs/dbraw/zinc/72/50/41/1294725041.db2.gz KGRREALTDUMFTB-QZTJIDSGSA-N 1 0 345.439 2.482 10 10 EECERO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000862408159 1295833572 /nfs/dbraw/zinc/83/35/72/1295833572.db2.gz WKAZZPYBXPCNHZ-NSHDSACASA-N 1 0 337.221 2.268 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H](OC)[C@H]3CCOC3)CC2)cc1 ZINC001118496017 1308867483 /nfs/dbraw/zinc/86/74/83/1308867483.db2.gz KVTWHKFJLGIDJL-QFBILLFUSA-N 1 0 334.460 2.259 10 10 EECERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841852060 1315623637 /nfs/dbraw/zinc/62/36/37/1315623637.db2.gz WPUYNSJLFFGZSY-RISCZKNCSA-N 1 0 330.457 2.044 10 10 EECERO COc1cc(Cl)cc(CN2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431854 1315913975 /nfs/dbraw/zinc/91/39/75/1315913975.db2.gz KRFJVICVFHKAQG-UHFFFAOYSA-N 1 0 340.851 2.351 10 10 EECERO C[N@H+](CC(=O)NCc1c(O)ccc2ccccc21)[C@@H]1CCC[C@H]1O ZINC001157050392 1318370473 /nfs/dbraw/zinc/37/04/73/1318370473.db2.gz GBRJWVKQEUECFY-SJLPKXTDSA-N 1 0 328.412 2.007 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cnc(C)cn2)cc1C ZINC001266125190 1323695863 /nfs/dbraw/zinc/69/58/63/1323695863.db2.gz VZEBYCCBSLGTKB-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001283583622 1326145661 /nfs/dbraw/zinc/14/56/61/1326145661.db2.gz WCVHEGHMHCISHL-NVXWUHKLSA-N 1 0 333.476 2.034 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc[nH]c(=O)c2)cc1C ZINC001283595379 1326151909 /nfs/dbraw/zinc/15/19/09/1326151909.db2.gz UNEZTYBALMDTIG-CQSZACIVSA-N 1 0 343.427 2.355 10 10 EECERO Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001304794097 1331398276 /nfs/dbraw/zinc/39/82/76/1331398276.db2.gz CMXYQPBAIIZQIK-HNNXBMFYSA-N 1 0 341.459 2.413 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2oc(C)nc2C)cc1C ZINC001317577815 1332306256 /nfs/dbraw/zinc/30/62/56/1332306256.db2.gz CINGMUQFDJBKTO-UHFFFAOYSA-N 1 0 331.416 2.470 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2[nH]c(C)nc2C)cc1C ZINC001321992581 1333192291 /nfs/dbraw/zinc/19/22/91/1333192291.db2.gz WSZBMQDRDGTVOW-LBPRGKRZSA-N 1 0 330.432 2.252 10 10 EECERO Fc1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc(F)c1N1CCOCC1 ZINC001333583096 1336079734 /nfs/dbraw/zinc/07/97/34/1336079734.db2.gz QBIQLDCZMGLCHB-WMLDXEAASA-N 1 0 338.398 2.459 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(CO)OC)c1O ZINC000848556200 1338721026 /nfs/dbraw/zinc/72/10/26/1338721026.db2.gz PVASXIYNYQFYDU-LKFCYVNXSA-N 1 0 348.237 2.211 10 10 EECERO CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000848558261 1338721192 /nfs/dbraw/zinc/72/11/92/1338721192.db2.gz LAAJPPKSRZIQQW-CXAGYDPISA-N 1 0 342.867 2.225 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cc(C)nn2C)cc1C ZINC001567208551 1342711934 /nfs/dbraw/zinc/71/19/34/1342711934.db2.gz PZAWMIINTWIBSQ-CQSZACIVSA-N 1 0 344.459 2.344 10 10 EECERO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c(C)n1-c1ccccc1C ZINC001630593714 1352571311 /nfs/dbraw/zinc/57/13/11/1352571311.db2.gz OTDAHALZXNCYBV-UHFFFAOYSA-N 1 0 343.471 2.399 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cn(C)cn2)C(C)C)cc1C ZINC001667446324 1355743192 /nfs/dbraw/zinc/74/31/92/1355743192.db2.gz ILEGGUVFIXLYDH-MRXNPFEDSA-N 1 0 344.459 2.281 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cn[nH]c2)C2CC2)cc1C ZINC001699570476 1405398497 /nfs/dbraw/zinc/39/84/97/1405398497.db2.gz NMNZEDXBDDEYMU-MRXNPFEDSA-N 1 0 328.416 2.025 10 10 EECERO C[NH+]1CCN(c2ccc(CN3CCOC[C@H]3CC(F)F)cc2)CC1 ZINC000809713074 783329173 /nfs/dbraw/zinc/32/91/73/783329173.db2.gz YKMTYSJLWWTLSW-QGZVFWFLSA-N 1 0 339.430 2.294 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3[NH2+]CCCC3(C)C)C2)cc1 ZINC000818270054 785248333 /nfs/dbraw/zinc/24/83/33/785248333.db2.gz XUIAQTJHDOELKZ-YJBOKZPZSA-N 1 0 345.487 2.416 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(=O)C2)C1 ZINC000908471682 785439951 /nfs/dbraw/zinc/43/99/51/785439951.db2.gz KSQNFHLTRMCOLD-UHFFFAOYSA-N 1 0 339.439 2.256 10 10 EECERO Fc1cc(C[NH2+][C@]23C[C@H]2COC32CCC2)ccc1N1CCOCC1 ZINC000923032801 788619319 /nfs/dbraw/zinc/61/93/19/788619319.db2.gz MVWZKFUWIRCTJU-HNAYVOBHSA-N 1 0 332.419 2.464 10 10 EECERO CC[NH+]1CCN(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000915216036 795732926 /nfs/dbraw/zinc/73/29/26/795732926.db2.gz BFHLOOGELJSDIX-UHFFFAOYSA-N 1 0 346.519 2.127 10 10 EECERO CC[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788563071 807578392 /nfs/dbraw/zinc/57/83/92/807578392.db2.gz KIBLAJFUWCVLDS-NVXWUHKLSA-N 1 0 329.448 2.244 10 10 EECERO COC(=O)CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000793230639 810197737 /nfs/dbraw/zinc/19/77/37/810197737.db2.gz HLHJGUUWFCNZRW-UHFFFAOYSA-N 1 0 332.444 2.489 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccncn2)C2CC2)cc1C ZINC001480052908 1099567548 /nfs/dbraw/zinc/56/75/48/1099567548.db2.gz HRGAITNDWNQLJV-QGZVFWFLSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2cc(C)co2)cc1C ZINC001507498228 1115291456 /nfs/dbraw/zinc/29/14/56/1115291456.db2.gz BCZQKRJYRZFKCK-MRXNPFEDSA-N 1 0 346.427 2.128 10 10 EECERO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(Br)cc1O ZINC000527953607 317292320 /nfs/dbraw/zinc/29/23/20/317292320.db2.gz IRCLYORAFNWIDM-HERUPUMHSA-N 1 0 330.222 2.345 10 10 EECERO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000527956280 317293150 /nfs/dbraw/zinc/29/31/50/317293150.db2.gz ONRHSPMUJIOPHE-HERUPUMHSA-N 1 0 330.222 2.345 10 10 EECERO CCOc1ccc(O)c(CN2CCO[C@H](c3n[nH]c(CC)n3)C2)c1 ZINC000129196587 462693367 /nfs/dbraw/zinc/69/33/67/462693367.db2.gz SPLBBQFVEYBWNE-HNNXBMFYSA-N 1 0 332.404 2.045 10 10 EECERO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121527446 463151712 /nfs/dbraw/zinc/15/17/12/463151712.db2.gz BHVJLPHDTUQEOG-CYBMUJFWSA-N 1 0 333.457 2.251 10 10 EECERO CCC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+](C)C ZINC000122726776 463286686 /nfs/dbraw/zinc/28/66/86/463286686.db2.gz TYTUERMEELJZRM-GOSISDBHSA-N 1 0 333.476 2.212 10 10 EECERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185775012 463877627 /nfs/dbraw/zinc/87/76/27/463877627.db2.gz PBLJPJYXGKSKHN-FZMZJTMJSA-N 1 0 332.404 2.324 10 10 EECERO CCOc1ccnc(N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000180110297 464244451 /nfs/dbraw/zinc/24/44/51/464244451.db2.gz FGSVPJFOMFETGH-UHFFFAOYSA-N 1 0 328.416 2.212 10 10 EECERO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295638409 464912949 /nfs/dbraw/zinc/91/29/49/464912949.db2.gz YBIIVDKHZDGAEQ-INIZCTEOSA-N 1 0 332.444 2.297 10 10 EECERO COC[C@](C)(CCO)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295658028 464919299 /nfs/dbraw/zinc/91/92/99/464919299.db2.gz ADWFLKOVCCNABV-IBGZPJMESA-N 1 0 336.476 2.179 10 10 EECERO CNC(=O)CCOC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768462702 577556290 /nfs/dbraw/zinc/55/62/90/577556290.db2.gz BZAGINUDLUCKOZ-UHFFFAOYSA-N 1 0 346.471 2.388 10 10 EECERO C[C@@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)[C@H]1C[NH3+] ZINC000255047654 675450431 /nfs/dbraw/zinc/45/04/31/675450431.db2.gz NDSZLLJDJKBHTB-NSKUMVKISA-N 1 0 343.471 2.122 10 10 EECERO C[C@H](c1ccccc1)[N@H+](CC(=O)NC(N)=O)Cc1ccccc1O ZINC000176676705 678412812 /nfs/dbraw/zinc/41/28/12/678412812.db2.gz DGRXAIZLZXOMLV-CYBMUJFWSA-N 1 0 327.384 2.150 10 10 EECERO COc1ccc(N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)cc1 ZINC000327278563 678766987 /nfs/dbraw/zinc/76/69/87/678766987.db2.gz TZCNDVCPXFHEIR-UHFFFAOYSA-N 1 0 339.439 2.159 10 10 EECERO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1c(O)cc(C)cc1Cl)CC2 ZINC000840908322 684778713 /nfs/dbraw/zinc/77/87/13/684778713.db2.gz XLYQMBVQLIZZIV-NSHDSACASA-N 1 0 336.823 2.197 10 10 EECERO COc1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)sn1 ZINC001266939532 1177853986 /nfs/dbraw/zinc/85/39/86/1177853986.db2.gz JYDRUSPWZYCMGN-GFCCVEGCSA-N 1 0 349.456 2.377 10 10 EECERO CCn1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001268595147 1183428522 /nfs/dbraw/zinc/42/85/22/1183428522.db2.gz HKGZWFXKKCSKLS-AATRIKPKSA-N 1 0 342.443 2.296 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2ccnc2C)cc1C ZINC001485223780 1191702764 /nfs/dbraw/zinc/70/27/64/1191702764.db2.gz BORGLJOZBIASRS-HUUCEWRRSA-N 1 0 344.459 2.192 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@@]3(CCO)CCOC3)CC2)cc1 ZINC000125617064 1199406202 /nfs/dbraw/zinc/40/62/02/1199406202.db2.gz OYRMIBHQJFZZAD-LJQANCHMSA-N 1 0 334.460 2.043 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000881853346 1201775219 /nfs/dbraw/zinc/77/52/19/1201775219.db2.gz SEGKJBUGYPMQOQ-KSZLIROESA-N 1 0 327.472 2.491 10 10 EECERO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759624 1206028367 /nfs/dbraw/zinc/02/83/67/1206028367.db2.gz LGEUCICVRNJBHC-QGZVFWFLSA-N 1 0 338.423 2.028 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930209859 1206541566 /nfs/dbraw/zinc/54/15/66/1206541566.db2.gz JMBRXXGBSOFPQK-LPHOPBHVSA-N 1 0 348.487 2.230 10 10 EECERO CCOC(=O)[C@@H]1C[C@H]1CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000931530878 1207406863 /nfs/dbraw/zinc/40/68/63/1207406863.db2.gz SBEWTYXFQQLRGE-GOEBONIOSA-N 1 0 348.443 2.025 10 10 EECERO CN(C)c1ccc(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1F ZINC000827901033 1248966005 /nfs/dbraw/zinc/96/60/05/1248966005.db2.gz IPLVFIDFJPWJNH-HNNXBMFYSA-N 1 0 333.382 2.390 10 10 EECERO COc1cc(Cl)cc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903971409 1242799927 /nfs/dbraw/zinc/79/99/27/1242799927.db2.gz AWXLPNUUMNBOFG-AWEZNQCLSA-N 1 0 340.851 2.303 10 10 EECERO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826952770 1248224396 /nfs/dbraw/zinc/22/43/96/1248224396.db2.gz SHGPHOXPAIXMPW-AWEZNQCLSA-N 1 0 330.222 2.128 10 10 EECERO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000827677826 1248636378 /nfs/dbraw/zinc/63/63/78/1248636378.db2.gz AADWWUPAQQDSFH-SFHVURJKSA-N 1 0 345.487 2.260 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1 ZINC000850563057 1277266149 /nfs/dbraw/zinc/26/61/49/1277266149.db2.gz RAUAGTWZKNMCFQ-KGLIPLIRSA-N 1 0 333.432 2.342 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCOC2)C2CC2)cc1C ZINC001490639960 1291506640 /nfs/dbraw/zinc/50/66/40/1291506640.db2.gz CEZQHMTUCFQYAI-MSOLQXFVSA-N 1 0 346.471 2.415 10 10 EECERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000852351570 1292096758 /nfs/dbraw/zinc/09/67/58/1292096758.db2.gz QFXFWHKGDLGMPF-XGWLTEMNSA-N 1 0 339.407 2.390 10 10 EECERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000852351567 1292097061 /nfs/dbraw/zinc/09/70/61/1292097061.db2.gz QFXFWHKGDLGMPF-MJEQTWJJSA-N 1 0 339.407 2.390 10 10 EECERO CN(c1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1)C1CCCCC1 ZINC000852863967 1292219038 /nfs/dbraw/zinc/21/90/38/1292219038.db2.gz UWYFRGSYRLFASN-QGZVFWFLSA-N 1 0 344.459 2.175 10 10 EECERO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000854232232 1292681301 /nfs/dbraw/zinc/68/13/01/1292681301.db2.gz RJMNKIZAIZSBAE-CYBMUJFWSA-N 1 0 337.439 2.173 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000854302179 1292712311 /nfs/dbraw/zinc/71/23/11/1292712311.db2.gz JTQAQHFXEFHCTK-INIZCTEOSA-N 1 0 346.475 2.010 10 10 EECERO C[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Br)CS1(=O)=O ZINC000858189522 1294038152 /nfs/dbraw/zinc/03/81/52/1294038152.db2.gz MZCFRQXNVRNZPM-UWVGGRQHSA-N 1 0 348.262 2.210 10 10 EECERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c(O)c1 ZINC000858488639 1294131528 /nfs/dbraw/zinc/13/15/28/1294131528.db2.gz JHNDMPGZYJNZJN-KBPBESRZSA-N 1 0 338.415 2.068 10 10 EECERO C[C@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C[NH2+]1 ZINC000861691779 1295508507 /nfs/dbraw/zinc/50/85/07/1295508507.db2.gz ZBNMVPMNWVGREU-ONGXEEELSA-N 1 0 342.237 2.094 10 10 EECERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000862551481 1295876708 /nfs/dbraw/zinc/87/67/08/1295876708.db2.gz NJRNEWREJAUAEI-CQSZACIVSA-N 1 0 348.468 2.307 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H]2CCOC2)cc1C ZINC001277622722 1304023287 /nfs/dbraw/zinc/02/32/87/1304023287.db2.gz QZBBOAYXSVPBOH-ZWKOTPCHSA-N 1 0 346.471 2.367 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ncccc2O)cc1C ZINC001266140027 1323709342 /nfs/dbraw/zinc/70/93/42/1323709342.db2.gz DIUPYJOBHUBNNW-CQSZACIVSA-N 1 0 343.427 2.402 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccc(=O)[nH]2)cc1C ZINC001282114877 1325626339 /nfs/dbraw/zinc/62/63/39/1325626339.db2.gz VJACOYZWAYUVPZ-UONOGXRCSA-N 1 0 343.427 2.401 10 10 EECERO COCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329358784 1334633722 /nfs/dbraw/zinc/63/37/22/1334633722.db2.gz RLRHSEPOCXECIJ-UHFFFAOYSA-N 1 0 349.435 2.183 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CCOCC2)cc1C ZINC001570584895 1343088977 /nfs/dbraw/zinc/08/89/77/1343088977.db2.gz RTKUZMIAVOMACE-CABCVRRESA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cnc(C)[nH]2)C2CC2)cc1C ZINC001661114206 1354593066 /nfs/dbraw/zinc/59/30/66/1354593066.db2.gz YZGCBOPRBFUEDF-MRXNPFEDSA-N 1 0 342.443 2.333 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cn2cc(C)cn2)cc1C ZINC001667992610 1355842477 /nfs/dbraw/zinc/84/24/77/1355842477.db2.gz APJIVXYLMILZAE-INIZCTEOSA-N 1 0 344.459 2.193 10 10 EECERO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921055783 770951572 /nfs/dbraw/zinc/95/15/72/770951572.db2.gz QRCTXPMABWOXGO-RHSMWYFYSA-N 1 0 346.471 2.244 10 10 EECERO Nc1ccc(Cc2nc(C(=O)NCCC3(C[NH3+])CC3)cs2)cc1 ZINC000846692700 790415045 /nfs/dbraw/zinc/41/50/45/790415045.db2.gz AKCTUNMBQLEDLC-UHFFFAOYSA-N 1 0 330.457 2.175 10 10 EECERO COc1cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000788384468 807507622 /nfs/dbraw/zinc/50/76/22/807507622.db2.gz SHUNVTPDRAHRQA-IBGZPJMESA-N 1 0 332.444 2.410 10 10 EECERO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1O)c1cccnc1 ZINC000808431112 812651906 /nfs/dbraw/zinc/65/19/06/812651906.db2.gz NRFYWLRHIQQOHD-CYBMUJFWSA-N 1 0 337.217 2.415 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)CC[N@@H+]2CC[C@H](F)C2)cc1 ZINC001452830962 1105717219 /nfs/dbraw/zinc/71/72/19/1105717219.db2.gz FBKOLXWWZUCBDQ-HNNXBMFYSA-N 1 0 337.439 2.024 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](OC)C2CCC2)cc1C ZINC001493649445 1108456847 /nfs/dbraw/zinc/45/68/47/1108456847.db2.gz WSKKFURAYJNLPR-GOSISDBHSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)cc1C ZINC001501562396 1113384088 /nfs/dbraw/zinc/38/40/88/1113384088.db2.gz OSJMFDDRIDFSSN-QFBILLFUSA-N 1 0 348.487 2.349 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cn(C)nc2C)cc1C ZINC001507056395 1115085448 /nfs/dbraw/zinc/08/54/48/1115085448.db2.gz QUGOZPKQYJQZPC-AWEZNQCLSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CCOC2)cc1C ZINC001507058357 1115086588 /nfs/dbraw/zinc/08/65/88/1115086588.db2.gz HECZYTHHWFUGNP-RDJZCZTQSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001527595670 1120827455 /nfs/dbraw/zinc/82/74/55/1120827455.db2.gz OCQOADNRXBBHPY-GOSISDBHSA-N 1 0 333.476 2.463 10 10 EECERO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+]1CCc2sccc2C1 ZINC001542634710 1124115060 /nfs/dbraw/zinc/11/50/60/1124115060.db2.gz PSULWWAAXMHOOG-LBPRGKRZSA-N 1 0 346.452 2.265 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cnnc(C)c2)cc1C ZINC001568268788 1124395716 /nfs/dbraw/zinc/39/57/16/1124395716.db2.gz YSFNXQSRHFSKRF-HNNXBMFYSA-N 1 0 342.443 2.352 10 10 EECERO Cc1ccc([C@@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c(O)c1C ZINC000527954522 317292097 /nfs/dbraw/zinc/29/20/97/317292097.db2.gz LRLZLENBZUIEKW-UZLBHIALSA-N 1 0 348.487 2.275 10 10 EECERO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000280828095 464258107 /nfs/dbraw/zinc/25/81/07/464258107.db2.gz JKORXUFWMUIMPF-GFCCVEGCSA-N 1 0 329.366 2.482 10 10 EECERO CN(C)c1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000372468982 466402847 /nfs/dbraw/zinc/40/28/47/466402847.db2.gz PURSCZGSYFVFDK-ACWOFJMJSA-N 1 0 349.450 2.040 10 10 EECERO COc1cccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000366026049 467032624 /nfs/dbraw/zinc/03/26/24/467032624.db2.gz TWOFZNVMIWIHAI-UHFFFAOYSA-N 1 0 328.416 2.292 10 10 EECERO COc1cc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(O)cc1C ZINC000768448684 577555937 /nfs/dbraw/zinc/55/59/37/577555937.db2.gz WGQKKQZSXSRVSA-GOSISDBHSA-N 1 0 347.503 2.311 10 10 EECERO CCOc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c(O)c1 ZINC000768651506 577560326 /nfs/dbraw/zinc/56/03/26/577560326.db2.gz POMTYFLYNMAEMC-UHFFFAOYSA-N 1 0 327.446 2.095 10 10 EECERO C/C=C\C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC ZINC000763360186 577719875 /nfs/dbraw/zinc/71/98/75/577719875.db2.gz BASAZHWOIBCPFS-UTSMFGRCSA-N 1 0 345.487 2.426 10 10 EECERO COc1ccc(O)c(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000747547193 577946093 /nfs/dbraw/zinc/94/60/93/577946093.db2.gz OBRAZXWFWRDYAT-UHFFFAOYSA-N 1 0 339.355 2.303 10 10 EECERO COc1cc(C)cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000894872184 683262864 /nfs/dbraw/zinc/26/28/64/683262864.db2.gz ZISHLKGPTOISIM-CQSZACIVSA-N 1 0 347.436 2.370 10 10 EECERO COC(=O)c1c(C[NH2+]CCC2(CO)CC2)c2cc(F)ccc2n1C ZINC000894914646 683398318 /nfs/dbraw/zinc/39/83/18/683398318.db2.gz OJCFVFVICQMVIW-UHFFFAOYSA-N 1 0 334.391 2.356 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccn(CC)n1 ZINC001268482013 1182939304 /nfs/dbraw/zinc/93/93/04/1182939304.db2.gz KKSLDEJDVZEOTI-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cn2ccnc2C)cc1C ZINC001268950329 1183843979 /nfs/dbraw/zinc/84/39/79/1183843979.db2.gz UFAOWXQGLBMTNW-UHFFFAOYSA-N 1 0 344.459 2.147 10 10 EECERO CC[C@@H](CNC(=O)c1nc(C)c[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269481945 1184302807 /nfs/dbraw/zinc/30/28/07/1184302807.db2.gz KEHPXMGAXPILID-HNNXBMFYSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2cccnc2)cc1C ZINC001270386636 1185067269 /nfs/dbraw/zinc/06/72/69/1185067269.db2.gz WHZNFKGGOKRXOF-OAHLLOKOSA-N 1 0 341.455 2.483 10 10 EECERO Cc1nocc1C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691630983 1189140567 /nfs/dbraw/zinc/14/05/67/1189140567.db2.gz MJZBUUZCHBTAQA-UHFFFAOYSA-N 1 0 344.375 2.007 10 10 EECERO COc1cc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c(O)cc1C ZINC000905702412 1189873033 /nfs/dbraw/zinc/87/30/33/1189873033.db2.gz VXIIVOFQXIXSCL-RDTXWAMCSA-N 1 0 334.416 2.420 10 10 EECERO CCOCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001484664129 1191463610 /nfs/dbraw/zinc/46/36/10/1191463610.db2.gz CBKGQRRQKWAUMQ-UHFFFAOYSA-N 1 0 347.419 2.128 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]Cc3ncnn3C(C)C)C2)cc1 ZINC000865608418 1198296488 /nfs/dbraw/zinc/29/64/88/1198296488.db2.gz IWNYDJFTKUXRSW-OAHLLOKOSA-N 1 0 329.448 2.484 10 10 EECERO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1Cl ZINC000825779786 1199218747 /nfs/dbraw/zinc/21/87/47/1199218747.db2.gz OXUGWPXNFMBFCJ-SMDDNHRTSA-N 1 0 346.880 2.162 10 10 EECERO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc2ccccc2c1O ZINC000866520996 1201540091 /nfs/dbraw/zinc/54/00/91/1201540091.db2.gz JLIBCHSLMQJHID-BFUOFWGJSA-N 1 0 342.395 2.417 10 10 EECERO C[C@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1O ZINC000866522763 1201540520 /nfs/dbraw/zinc/54/05/20/1201540520.db2.gz ZRNARIUXZCFRTR-ZDUSSCGKSA-N 1 0 339.395 2.295 10 10 EECERO CC[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(N(C)C)cc1 ZINC000866524681 1201540963 /nfs/dbraw/zinc/54/09/63/1201540963.db2.gz LRZHHTGQTAOXSW-FUHWJXTLSA-N 1 0 333.432 2.015 10 10 EECERO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000900405386 1234321579 /nfs/dbraw/zinc/32/15/79/1234321579.db2.gz WCWWWNCCJVLLKU-FQEVSTJZSA-N 1 0 345.487 2.140 10 10 EECERO Oc1cc2c(cc1C[NH2+]CC1CC[NH+](C3CCOCC3)CC1)OCO2 ZINC000850344873 1277191153 /nfs/dbraw/zinc/19/11/53/1277191153.db2.gz ZPPKSYCPPCHRCH-UHFFFAOYSA-N 1 0 348.443 2.102 10 10 EECERO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000850519566 1277258480 /nfs/dbraw/zinc/25/84/80/1277258480.db2.gz NNWBPHIETIBPGY-LLVKDONJSA-N 1 0 338.395 2.380 10 10 EECERO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858211277 1294046270 /nfs/dbraw/zinc/04/62/70/1294046270.db2.gz NDSKYFKKRWEMLV-UHFFFAOYSA-N 1 0 329.278 2.163 10 10 EECERO CC(C)=CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001261846614 1322185283 /nfs/dbraw/zinc/18/52/83/1322185283.db2.gz QYIMSPPPIJISFP-GOSISDBHSA-N 1 0 331.460 2.338 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)Cc2ccon2)C2CC2)cc1C ZINC001276564528 1324354575 /nfs/dbraw/zinc/35/45/75/1324354575.db2.gz XAFHNTFBEYIUSY-QGZVFWFLSA-N 1 0 343.427 2.219 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cn(C)nc2C)cc1C ZINC001282115135 1325626402 /nfs/dbraw/zinc/62/64/02/1325626402.db2.gz WCGDHDLVURTMPI-UONOGXRCSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cccs2)cc1C ZINC001284381486 1326530184 /nfs/dbraw/zinc/53/01/84/1326530184.db2.gz QEGNVQNSUCIWJF-HNNXBMFYSA-N 1 0 348.468 2.288 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccnc(C)n2)cc1C ZINC001317286799 1332165091 /nfs/dbraw/zinc/16/50/91/1332165091.db2.gz RFSHECYPICYALK-CYBMUJFWSA-N 1 0 328.416 2.010 10 10 EECERO CCc1ncncc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317286979 1332165422 /nfs/dbraw/zinc/16/54/22/1332165422.db2.gz VMXFOJXHGPEZOG-AWEZNQCLSA-N 1 0 342.443 2.264 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCC[C@@H]3[NH3+])C2)cc1 ZINC001327960953 1334371067 /nfs/dbraw/zinc/37/10/67/1334371067.db2.gz HOXKTGARVNOATF-JLSDUUJJSA-N 1 0 331.460 2.155 10 10 EECERO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC001648054298 1353414918 /nfs/dbraw/zinc/41/49/18/1353414918.db2.gz UUEGGLSZBLFXFY-GFCCVEGCSA-N 1 0 328.368 2.468 10 10 EECERO CC[C@@H](C[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001669935994 1356243624 /nfs/dbraw/zinc/24/36/24/1356243624.db2.gz KHDAWUPHQXWGST-WFASDCNBSA-N 1 0 349.435 2.324 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cnc(C)n2C)cc1C ZINC001674714764 1356881786 /nfs/dbraw/zinc/88/17/86/1356881786.db2.gz CSAKAMHMXUGFOJ-ZIAGYGMSSA-N 1 0 344.459 2.342 10 10 EECERO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921055780 770952216 /nfs/dbraw/zinc/95/22/16/770952216.db2.gz QRCTXPMABWOXGO-PBHICJAKSA-N 1 0 346.471 2.244 10 10 EECERO CCN1C[C@@H](C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)OC1=O ZINC000846777289 790539127 /nfs/dbraw/zinc/53/91/27/790539127.db2.gz IBIZVJGGAVVXIK-QGZVFWFLSA-N 1 0 333.432 2.048 10 10 EECERO COCCN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 ZINC001144651871 790010330 /nfs/dbraw/zinc/01/03/30/790010330.db2.gz FEMWOLGDVSPWBR-UHFFFAOYSA-N 1 0 347.419 2.032 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1OC ZINC000846009972 790022092 /nfs/dbraw/zinc/02/20/92/790022092.db2.gz BYAJYBGIXIEIMS-HXUWFJFHSA-N 1 0 343.423 2.376 10 10 EECERO O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1N1CCCCC1 ZINC000846102095 790062544 /nfs/dbraw/zinc/06/25/44/790062544.db2.gz CGZPILDBGWKBBL-ISQRANHSSA-N 1 0 349.456 2.290 10 10 EECERO Fc1cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)ccc1N1CCOCC1 ZINC000922724566 801760315 /nfs/dbraw/zinc/76/03/15/801760315.db2.gz UBOYQNRQWLUPBI-BBWFWOEESA-N 1 0 332.419 2.343 10 10 EECERO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000787278507 807064111 /nfs/dbraw/zinc/06/41/11/807064111.db2.gz FUOLVKZWMNYKCB-IUODEOHRSA-N 1 0 332.366 2.487 10 10 EECERO Cn1cnc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000808401422 812627576 /nfs/dbraw/zinc/62/75/76/812627576.db2.gz KAAZCJBFIQHPJW-UHFFFAOYSA-N 1 0 339.487 2.242 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n2ccnc2)cc1C ZINC001480547366 1100381040 /nfs/dbraw/zinc/38/10/40/1100381040.db2.gz ZRUGCATWCDRQQC-HOTGVXAUSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2sccc2C)cc1C ZINC001496927479 1101731266 /nfs/dbraw/zinc/73/12/66/1101731266.db2.gz KCOZZBLTQQESCG-OAHLLOKOSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)n2cccn2)cc1C ZINC001568982102 1125019288 /nfs/dbraw/zinc/01/92/88/1125019288.db2.gz LQHQVGQXMAFERM-HUUCEWRRSA-N 1 0 330.432 2.056 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000093012166 237041953 /nfs/dbraw/zinc/04/19/53/237041953.db2.gz WQFFOACYAUQQSP-QGZVFWFLSA-N 1 0 334.460 2.478 10 10 EECERO C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000055710812 258061061 /nfs/dbraw/zinc/06/10/61/258061061.db2.gz BRSOGVVSRLQKNJ-AWEZNQCLSA-N 1 0 340.427 2.030 10 10 EECERO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc2c1OCC2 ZINC000054173725 132190165 /nfs/dbraw/zinc/19/01/65/132190165.db2.gz WDTKHXCZTMBDTL-UHFFFAOYSA-N 1 0 325.412 2.143 10 10 EECERO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000121429327 463134157 /nfs/dbraw/zinc/13/41/57/463134157.db2.gz YYYYBDJDMQLGEF-UHFFFAOYSA-N 1 0 341.503 2.421 10 10 EECERO Nc1ccc(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000189028110 464417859 /nfs/dbraw/zinc/41/78/59/464417859.db2.gz BYHKBWZKSUTYNJ-MAUKXSAKSA-N 1 0 345.393 2.351 10 10 EECERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000282927198 465004174 /nfs/dbraw/zinc/00/41/74/465004174.db2.gz FPVKNFPUXRVCAO-INIZCTEOSA-N 1 0 344.386 2.301 10 10 EECERO Cc1cccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1O ZINC000377865526 467155885 /nfs/dbraw/zinc/15/58/85/467155885.db2.gz SLOODSNMAZLBHM-INIZCTEOSA-N 1 0 346.452 2.253 10 10 EECERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000527804040 467665615 /nfs/dbraw/zinc/66/56/15/467665615.db2.gz ANHCUDGCGFYEAE-AWEZNQCLSA-N 1 0 326.352 2.037 10 10 EECERO COc1cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc(OC)c1 ZINC000768444392 577555750 /nfs/dbraw/zinc/55/57/50/577555750.db2.gz YBTNHDDEUGDNDM-SFHVURJKSA-N 1 0 345.395 2.467 10 10 EECERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747622722 577947036 /nfs/dbraw/zinc/94/70/36/577947036.db2.gz VQDCBPPGBLSJPV-LJQANCHMSA-N 1 0 345.487 2.402 10 10 EECERO C[N@H+](CCNC(=O)NCc1c(O)cccc1F)Cc1ccccc1 ZINC000914332925 683504821 /nfs/dbraw/zinc/50/48/21/683504821.db2.gz LJXRJMYTNFEXOC-UHFFFAOYSA-N 1 0 331.391 2.463 10 10 EECERO Cc1cc(Br)cc(C[NH2+][C@@H](C)C2N=NC(=O)N2C)c1O ZINC000895174263 684203270 /nfs/dbraw/zinc/20/32/70/684203270.db2.gz DLSRFALSULMAMP-QMMMGPOBSA-N 1 0 341.209 2.148 10 10 EECERO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000895813912 684734409 /nfs/dbraw/zinc/73/44/09/684734409.db2.gz KBCCSJKGMDNSSG-PKOBYXMFSA-N 1 0 343.471 2.045 10 10 EECERO COC(=O)/C=C/c1ccc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000184789081 1192234342 /nfs/dbraw/zinc/23/43/42/1192234342.db2.gz LYPNSGPDADKTBH-WEVVVXLNSA-N 1 0 333.388 2.311 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)C2CCOCC2)C2CC2)cc1C ZINC001670440262 1176784590 /nfs/dbraw/zinc/78/45/90/1176784590.db2.gz XORIUEUVCSWJNB-SFHVURJKSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CCOC3)CC2)cc1C ZINC001670760355 1179167599 /nfs/dbraw/zinc/16/75/99/1179167599.db2.gz UKYGYOKUBHJZLO-INIZCTEOSA-N 1 0 332.444 2.169 10 10 EECERO COC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001482570300 1186904800 /nfs/dbraw/zinc/90/48/00/1186904800.db2.gz CJJFCEZHZMMIFJ-SWLSCSKDSA-N 1 0 349.435 2.228 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)c2coc(C)c2)cc1C ZINC001272149875 1187956123 /nfs/dbraw/zinc/95/61/23/1187956123.db2.gz GHHPAMPWQPXTQA-UHFFFAOYSA-N 1 0 346.427 2.129 10 10 EECERO Nc1ccc(CCNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000841955879 1188208326 /nfs/dbraw/zinc/20/83/26/1188208326.db2.gz QJUFUQDEBDFIKW-UHFFFAOYSA-N 1 0 326.444 2.024 10 10 EECERO C[C@H](C[N@@H+](C)CCC[C@H](C)O)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483424094 1190471102 /nfs/dbraw/zinc/47/11/02/1190471102.db2.gz NGXUZGJVIXKORJ-OLZOCXBDSA-N 1 0 349.435 2.060 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2ccon2)cc1C ZINC001272696568 1191656267 /nfs/dbraw/zinc/65/62/67/1191656267.db2.gz WJNGFPHMNXOVGX-CQSZACIVSA-N 1 0 331.416 2.219 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000825893212 1199730154 /nfs/dbraw/zinc/73/01/54/1199730154.db2.gz SBLWMYBOYKOLEZ-XXILOJSOSA-N 1 0 328.206 2.442 10 10 EECERO CCCOCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000122704170 1200204779 /nfs/dbraw/zinc/20/47/79/1200204779.db2.gz NIOPPXBKDRNHQI-UHFFFAOYSA-N 1 0 345.487 2.261 10 10 EECERO COc1ccc(N2CCC[N@H+](Cc3[nH]nc4c3COCC4)CC2)cc1 ZINC000929314693 1206464258 /nfs/dbraw/zinc/46/42/58/1206464258.db2.gz CVNPKXBJGDBDNY-UHFFFAOYSA-N 1 0 342.443 2.203 10 10 EECERO C[C@@H]([NH2+]C[C@H]1CCC2(COC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000930211004 1206541660 /nfs/dbraw/zinc/54/16/60/1206541660.db2.gz ROIKYPYSAMVENH-CRAIPNDOSA-N 1 0 332.444 2.122 10 10 EECERO c1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n[nH]1 ZINC000092855795 1214678688 /nfs/dbraw/zinc/67/86/88/1214678688.db2.gz AIBVEJYPGPHCJF-UHFFFAOYSA-N 1 0 325.460 2.232 10 10 EECERO CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc(N(C)C)cc1 ZINC000903873879 1242264270 /nfs/dbraw/zinc/26/42/70/1242264270.db2.gz ZTCCLJZCBJUBIU-GOSISDBHSA-N 1 0 342.491 2.291 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCc3cn[nH]c3)C2)cc1C ZINC001490933537 1258495409 /nfs/dbraw/zinc/49/54/09/1258495409.db2.gz HYPUSFKIGCXUFE-QAQDUYKDSA-N 1 0 342.443 2.096 10 10 EECERO OC1CCN(c2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2F)CC1 ZINC000850072558 1277017019 /nfs/dbraw/zinc/01/70/19/1277017019.db2.gz BQPGXXJQHVOVJD-UHFFFAOYSA-N 1 0 344.434 2.219 10 10 EECERO C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)CS1(=O)=O ZINC000850369297 1277202732 /nfs/dbraw/zinc/20/27/32/1277202732.db2.gz UPHDUTYEAWYODM-CABZTGNLSA-N 1 0 348.262 2.210 10 10 EECERO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851691759 1277719207 /nfs/dbraw/zinc/71/92/07/1277719207.db2.gz RTNZPBBTVJNPBO-MRXNPFEDSA-N 1 0 349.475 2.011 10 10 EECERO CN1CC(=O)N(CC[N@H+](Cc2ccccc2O)C2CCCC2)C1=O ZINC000851772043 1291820545 /nfs/dbraw/zinc/82/05/45/1291820545.db2.gz VJBVEORHEKIVAT-UHFFFAOYSA-N 1 0 331.416 2.031 10 10 EECERO COc1ccc(N2CCC(NC(=O)C3([NH2+]C4CC4)CCC3)CC2)cc1 ZINC000852864999 1292219025 /nfs/dbraw/zinc/21/90/25/1292219025.db2.gz PDEGJNKWHMMPLZ-UHFFFAOYSA-N 1 0 343.471 2.455 10 10 EECERO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C1(S(C)(=O)=O)CC1 ZINC000858163452 1294029075 /nfs/dbraw/zinc/02/90/75/1294029075.db2.gz GSGUGPTWTFFCHA-SECBINFHSA-N 1 0 348.262 2.210 10 10 EECERO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1F ZINC000862382336 1295817007 /nfs/dbraw/zinc/81/70/07/1295817007.db2.gz RHVSQGNOBPOKJN-GFCCVEGCSA-N 1 0 339.386 2.305 10 10 EECERO CCc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1O ZINC000862536458 1295870853 /nfs/dbraw/zinc/87/08/53/1295870853.db2.gz MZBJYJVQHIPALG-LJQANCHMSA-N 1 0 341.455 2.340 10 10 EECERO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000926833463 1296937825 /nfs/dbraw/zinc/93/78/25/1296937825.db2.gz OUWKYYWLNJQTNA-INIZCTEOSA-N 1 0 337.464 2.281 10 10 EECERO CCn1nc(C)c([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000926854977 1296941786 /nfs/dbraw/zinc/94/17/86/1296941786.db2.gz QNNKEHUWGJPRGV-HNNXBMFYSA-N 1 0 342.491 2.209 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CO[C@@H](C)C3)CC2)cc1C ZINC001277102026 1301270290 /nfs/dbraw/zinc/27/02/90/1301270290.db2.gz OYTGFYANJPCIBH-GOEBONIOSA-N 1 0 332.444 2.167 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3nc(C)c[nH]3)CC2)cc1C ZINC001277194801 1301757198 /nfs/dbraw/zinc/75/71/98/1301757198.db2.gz GEVWFQOKESIGFQ-UHFFFAOYSA-N 1 0 328.416 2.087 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccnc(C)n2)cc1C ZINC001278017325 1305695849 /nfs/dbraw/zinc/69/58/49/1305695849.db2.gz JAQPXKQHIPLCSW-CQSZACIVSA-N 1 0 342.443 2.352 10 10 EECERO COc1ccc(N2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)nc1 ZINC000840150057 1315309473 /nfs/dbraw/zinc/30/94/73/1315309473.db2.gz LHHGAOHHIAOKND-UHFFFAOYSA-N 1 0 343.427 2.435 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840904523 1315432332 /nfs/dbraw/zinc/43/23/32/1315432332.db2.gz BAKCELLFZFRDKL-FZMZJTMJSA-N 1 0 346.880 2.162 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841831961 1315619929 /nfs/dbraw/zinc/61/99/29/1315619929.db2.gz IYYAWVTYDINZOY-HXUWFJFHSA-N 1 0 340.471 2.348 10 10 EECERO C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000841881342 1315630419 /nfs/dbraw/zinc/63/04/19/1315630419.db2.gz QOKKSRYZAPAGQO-RISCZKNCSA-N 1 0 326.391 2.110 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ccoc2C)cc1C ZINC001278730633 1317900221 /nfs/dbraw/zinc/90/02/21/1317900221.db2.gz FUYWADBHGQAHQO-INIZCTEOSA-N 1 0 346.427 2.128 10 10 EECERO COCCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001284155453 1326438401 /nfs/dbraw/zinc/43/84/01/1326438401.db2.gz UMWJQWQWKKJBIP-DLBZAZTESA-N 1 0 334.460 2.415 10 10 EECERO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](O)C(F)F ZINC001324662609 1333733826 /nfs/dbraw/zinc/73/38/26/1333733826.db2.gz MMCJYGYWGXMCCE-GDBMZVCRSA-N 1 0 345.409 2.072 10 10 EECERO COc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3C)CCOCC2)cc1C ZINC001327615929 1334322854 /nfs/dbraw/zinc/32/28/54/1334322854.db2.gz GSZUBYPSYLOURD-RHSMWYFYSA-N 1 0 346.471 2.415 10 10 EECERO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1F ZINC001328785295 1334521160 /nfs/dbraw/zinc/52/11/60/1334521160.db2.gz ZOWCOUMJGAFJQN-LRDDRELGSA-N 1 0 330.419 2.278 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cnon2)cc1C ZINC001330942264 1334931562 /nfs/dbraw/zinc/93/15/62/1334931562.db2.gz XWVYZQBNDRZKOL-ZDUSSCGKSA-N 1 0 332.404 2.075 10 10 EECERO COC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)OC ZINC000848543858 1338718359 /nfs/dbraw/zinc/71/83/59/1338718359.db2.gz HTAFFCZZALTDKC-ONGXEEELSA-N 1 0 348.237 2.475 10 10 EECERO CC[C@H](CNC(=O)c1cnccn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665753244 1355382333 /nfs/dbraw/zinc/38/23/33/1355382333.db2.gz DMILBZVEVOLLHA-OAHLLOKOSA-N 1 0 328.416 2.092 10 10 EECERO Cc1cc(C[NH+]2CCC(O)(c3ccnn3C)CC2)ccc1N(C)C ZINC001560115318 1342507260 /nfs/dbraw/zinc/50/72/60/1342507260.db2.gz VEDOYMNRQNVADM-UHFFFAOYSA-N 1 0 328.460 2.278 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccnnc3)CCC2)cc1C ZINC001570119394 1343013362 /nfs/dbraw/zinc/01/33/62/1343013362.db2.gz WYHQKEHNSROQHR-UHFFFAOYSA-N 1 0 340.427 2.236 10 10 EECERO C[NH+](C)CC(C)(C)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001627903556 1352513628 /nfs/dbraw/zinc/51/36/28/1352513628.db2.gz BHUSURHCMIAQLX-UHFFFAOYSA-N 1 0 334.460 2.467 10 10 EECERO CCCCC[C@@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001647082919 1353131971 /nfs/dbraw/zinc/13/19/71/1353131971.db2.gz XLRVLOHFQHSTOF-ZWKOTPCHSA-N 1 0 335.492 2.413 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001655877156 1354188364 /nfs/dbraw/zinc/18/83/64/1354188364.db2.gz GNNXEFDPWUJBMU-OALUTQOASA-N 1 0 345.487 2.402 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001661470167 1354643273 /nfs/dbraw/zinc/64/32/73/1354643273.db2.gz DJNSDTXGACXWIF-JFIYKMOQSA-N 1 0 334.460 2.411 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cnn(C)c2C)cc1C ZINC001670017271 1356261477 /nfs/dbraw/zinc/26/14/77/1356261477.db2.gz AUOFLCZWEHLLFZ-UHFFFAOYSA-N 1 0 344.459 2.297 10 10 EECERO O[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000809743544 783351768 /nfs/dbraw/zinc/35/17/68/783351768.db2.gz UVMZXEZCWZAVKN-CQSZACIVSA-N 1 0 336.329 2.065 10 10 EECERO O=C1[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCN1C1CCC1 ZINC000708660682 786836968 /nfs/dbraw/zinc/83/69/68/786836968.db2.gz GKUAAYLTBLQENM-ZDUSSCGKSA-N 1 0 339.233 2.398 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]3SC)CC2)cc1 ZINC000822455909 787215526 /nfs/dbraw/zinc/21/55/26/787215526.db2.gz MMOKBOXEZWXNCS-QZTJIDSGSA-N 1 0 335.517 2.301 10 10 EECERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824632902 788250341 /nfs/dbraw/zinc/25/03/41/788250341.db2.gz TVBVPVVPACWBCU-GFCCVEGCSA-N 1 0 327.222 2.385 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000824655433 788258420 /nfs/dbraw/zinc/25/84/20/788258420.db2.gz WJMQWEOUYRGYFI-DFBGVHRSSA-N 1 0 341.835 2.416 10 10 EECERO Cc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1O ZINC000825130361 788450456 /nfs/dbraw/zinc/45/04/56/788450456.db2.gz WKYCVNFCQXANBB-FZMZJTMJSA-N 1 0 344.249 2.435 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844401268 789067255 /nfs/dbraw/zinc/06/72/55/789067255.db2.gz IZPMMVRTJUZRSM-KRWDZBQOSA-N 1 0 333.432 2.046 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2csnn2)cc1C ZINC001496130745 1102117137 /nfs/dbraw/zinc/11/71/37/1102117137.db2.gz VECUFEOXYRGJDR-GFCCVEGCSA-N 1 0 334.445 2.105 10 10 EECERO CC[C@H](CNC(=O)c1n[nH]cc1F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495055033 1104691668 /nfs/dbraw/zinc/69/16/68/1104691668.db2.gz PZOPGOYARLGGKC-CYBMUJFWSA-N 1 0 334.395 2.164 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001507185949 1115147950 /nfs/dbraw/zinc/14/79/50/1115147950.db2.gz QZNFSKXZNCGWDQ-VXNCWWDNSA-N 1 0 346.471 2.007 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)c2cc(C)cs2)cc1C ZINC001507188968 1115148725 /nfs/dbraw/zinc/14/87/25/1115148725.db2.gz JISKFPLPSOWEIU-HNNXBMFYSA-N 1 0 348.468 2.254 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC=CO3)cc2F)CC1 ZINC001543070391 1124119942 /nfs/dbraw/zinc/11/99/42/1124119942.db2.gz KLHACRJKKRLJMO-GOSISDBHSA-N 1 0 347.434 2.277 10 10 EECERO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)N1CCOCC1 ZINC000124462623 463426326 /nfs/dbraw/zinc/42/63/26/463426326.db2.gz OKEFXEYTDPBIIE-CYBMUJFWSA-N 1 0 338.835 2.116 10 10 EECERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000185972901 463915713 /nfs/dbraw/zinc/91/57/13/463915713.db2.gz DEWOZLGMRBVTOB-PWSUYJOCSA-N 1 0 329.238 2.136 10 10 EECERO C[C@H]1C[NH+](CC2CCN(C(=O)c3cccc(O)c3O)CC2)C[C@H](C)O1 ZINC000187067051 464095355 /nfs/dbraw/zinc/09/53/55/464095355.db2.gz QNYCMZUQRYMLNZ-KBPBESRZSA-N 1 0 348.443 2.059 10 10 EECERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1O ZINC000187321852 464117092 /nfs/dbraw/zinc/11/70/92/464117092.db2.gz DXEZGFPZGMJQAI-AAEUAGOBSA-N 1 0 343.265 2.444 10 10 EECERO Nc1ccc(CC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000189028088 464418398 /nfs/dbraw/zinc/41/83/98/464418398.db2.gz BYHKBWZKSUTYNJ-QAPCUYQASA-N 1 0 345.393 2.351 10 10 EECERO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC000375015695 466769798 /nfs/dbraw/zinc/76/97/98/466769798.db2.gz WOQRCNZIYLQARU-UHFFFAOYSA-N 1 0 333.819 2.489 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[NH+]2CCC1CC2 ZINC000375118216 490778020 /nfs/dbraw/zinc/77/80/20/490778020.db2.gz WVXTUCCLWNAUCB-UHFFFAOYSA-N 1 0 326.444 2.052 10 10 EECERO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000773741631 577362337 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C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)C1 ZINC000897831058 691795970 /nfs/dbraw/zinc/79/59/70/691795970.db2.gz BQQBFLMQBXXJSL-KRWDZBQOSA-N 1 0 332.425 2.480 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cnc(C)[nH]2)cc1C ZINC001270372533 1185056433 /nfs/dbraw/zinc/05/64/33/1185056433.db2.gz VWFAPQHHLNCCOP-GFCCVEGCSA-N 1 0 330.432 2.191 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cccn2C)cc1C ZINC001482983330 1187937109 /nfs/dbraw/zinc/93/71/09/1187937109.db2.gz BZGQLLQCVQGJLE-PLNGDYQASA-N 1 0 327.428 2.418 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001483063150 1188379829 /nfs/dbraw/zinc/37/98/29/1188379829.db2.gz TVGVKOURVASKTG-CBIZUDFQSA-N 1 0 344.455 2.333 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ccsc2C)cc1C ZINC001272413433 1190807807 /nfs/dbraw/zinc/80/78/07/1190807807.db2.gz CTIJCEMPMKDZKP-OAHLLOKOSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H]3CCCO3)CC2)cc1C ZINC001483720397 1190816711 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10 EECERO CNC(=O)C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000795600992 1214391644 /nfs/dbraw/zinc/39/16/44/1214391644.db2.gz IJTVLCMOJYKFNY-AWEZNQCLSA-N 1 0 328.368 2.088 10 10 EECERO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000827725698 1248674008 /nfs/dbraw/zinc/67/40/08/1248674008.db2.gz MBLHBODKMYUOMG-UXLLHSPISA-N 1 0 331.460 2.089 10 10 EECERO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(OC)CCSC2)c1 ZINC000903315236 1240233462 /nfs/dbraw/zinc/23/34/62/1240233462.db2.gz VCDBKRSGGYOSKI-BZNIZROVSA-N 1 0 325.430 2.352 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)cc1 ZINC000850345892 1277191179 /nfs/dbraw/zinc/19/11/79/1277191179.db2.gz NDJNQVGGUXKKBL-MRXNPFEDSA-N 1 0 325.412 2.163 10 10 EECERO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)nc1 ZINC000858011828 1293987768 /nfs/dbraw/zinc/98/77/68/1293987768.db2.gz RRWZMFPFHHXFFQ-CQSZACIVSA-N 1 0 328.368 2.478 10 10 EECERO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Br)cc1O ZINC000858434170 1294116560 /nfs/dbraw/zinc/11/65/60/1294116560.db2.gz CIGKFWURZVXGEE-CABZTGNLSA-N 1 0 340.221 2.272 10 10 EECERO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1O ZINC000858565350 1294155677 /nfs/dbraw/zinc/15/56/77/1294155677.db2.gz MXMDREHKPHYKTN-WBVHZDCISA-N 1 0 327.428 2.339 10 10 EECERO C[NH2+]CCOCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000861678278 1295500855 /nfs/dbraw/zinc/50/08/55/1295500855.db2.gz WJQNSWADEQEFDO-UHFFFAOYSA-N 1 0 349.475 2.473 10 10 EECERO COC(=O)Cc1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000862448913 1295849887 /nfs/dbraw/zinc/84/98/87/1295849887.db2.gz ZZXHSZOLKCKGOR-UHFFFAOYSA-N 1 0 345.395 2.415 10 10 EECERO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000862486839 1295858095 /nfs/dbraw/zinc/85/80/95/1295858095.db2.gz ILNRETKCGIMLCN-MRXNPFEDSA-N 1 0 348.418 2.404 10 10 EECERO CN(C)c1ccc([C@H]([NH3+])CNCc2cn3cccc(F)c3n2)cc1 ZINC000841045758 1315461986 /nfs/dbraw/zinc/46/19/86/1315461986.db2.gz PIVIETZCPPVRGQ-QGZVFWFLSA-N 1 0 327.407 2.329 10 10 EECERO CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1CCC([NH3+])CC1 ZINC000843488381 1315922417 /nfs/dbraw/zinc/92/24/17/1315922417.db2.gz XPRHSEJKQHBJCU-UHFFFAOYSA-N 1 0 333.476 2.388 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2nccc2C)cc1C ZINC001282194051 1325647666 /nfs/dbraw/zinc/64/76/66/1325647666.db2.gz UJCBIITXNCSKEN-JKSUJKDBSA-N 1 0 344.459 2.192 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2ccon2)cc1C ZINC001491995500 1330387094 /nfs/dbraw/zinc/38/70/94/1330387094.db2.gz GTRCTMZRLJHNDX-CQSZACIVSA-N 1 0 331.416 2.219 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001320287042 1332856743 /nfs/dbraw/zinc/85/67/43/1332856743.db2.gz UAXJCQDSGKPKDF-OKZBNKHCSA-N 1 0 346.471 2.007 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ncccc2O)cc1C ZINC001320404913 1332876617 /nfs/dbraw/zinc/87/66/17/1332876617.db2.gz WEAYAJSQXXWXNU-AWEZNQCLSA-N 1 0 343.427 2.402 10 10 EECERO C[C@H](C[NH2+]Cc1ccccn1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001321759483 1333154071 /nfs/dbraw/zinc/15/40/71/1333154071.db2.gz DCMHNDHPQYDZDV-GFCCVEGCSA-N 1 0 340.387 2.152 10 10 EECERO CCC(C)(C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001326297219 1334061743 /nfs/dbraw/zinc/06/17/43/1334061743.db2.gz JHKNOSRVQRAHAX-QGZVFWFLSA-N 1 0 333.476 2.417 10 10 EECERO CCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CC[N@H+](C)C1 ZINC001330664590 1334884428 /nfs/dbraw/zinc/88/44/28/1334884428.db2.gz HFYOCJVDUDSIRU-QGZVFWFLSA-N 1 0 330.476 2.305 10 10 EECERO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563918 1338722658 /nfs/dbraw/zinc/72/26/58/1338722658.db2.gz ZDADRALPYOMSMA-OKZBNKHCSA-N 1 0 347.503 2.111 10 10 EECERO C[C@@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001597915654 1349933387 /nfs/dbraw/zinc/93/33/87/1349933387.db2.gz RXKDIRLBGQWVSF-WBVHZDCISA-N 1 0 349.450 2.134 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2c(C)cnn2C)cc1C ZINC001662959835 1354881267 /nfs/dbraw/zinc/88/12/67/1354881267.db2.gz NTODSLYIKOTRFQ-OAHLLOKOSA-N 1 0 344.459 2.344 10 10 EECERO COCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001666809097 1355593530 /nfs/dbraw/zinc/59/35/30/1355593530.db2.gz UMYVTKAYRHLGTP-UHFFFAOYSA-N 1 0 347.419 2.128 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2c(C)ncn2C)cc1C ZINC001674680992 1356875400 /nfs/dbraw/zinc/87/54/00/1356875400.db2.gz PBBTUDFLDFQIRI-ZIAGYGMSSA-N 1 0 344.459 2.342 10 10 EECERO CCn1cnc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001698855767 1405111977 /nfs/dbraw/zinc/11/19/77/1405111977.db2.gz IBIBXTIFLDKDML-OAHLLOKOSA-N 1 0 344.459 2.470 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](O)C(C)C)C2CC2)cc1C ZINC001699583282 1405405627 /nfs/dbraw/zinc/40/56/27/1405405627.db2.gz KZNFYEDOQFWDPF-FUHWJXTLSA-N 1 0 334.460 2.005 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000067976033 774076329 /nfs/dbraw/zinc/07/63/29/774076329.db2.gz AJZUKKPAXNUKCO-MRXNPFEDSA-N 1 0 344.411 2.011 10 10 EECERO O=S1(=O)C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)c2ccccc21 ZINC000824517248 788198870 /nfs/dbraw/zinc/19/88/70/788198870.db2.gz RTIPZUNWJWUJLN-HNNXBMFYSA-N 1 0 329.421 2.282 10 10 EECERO O=[N+]([O-])c1cc(C[NH2+]CC[C@@]2(O)CCOC2)ccc1N1CCCCC1 ZINC000846046580 790035908 /nfs/dbraw/zinc/03/59/08/790035908.db2.gz JGEKAEUANKISDA-GOSISDBHSA-N 1 0 349.431 2.216 10 10 EECERO CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000846190413 790084580 /nfs/dbraw/zinc/08/45/80/790084580.db2.gz PLGZORATPNIVRU-XRNSZHNASA-N 1 0 327.222 2.459 10 10 EECERO C[C@H]1[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000925344852 793656290 /nfs/dbraw/zinc/65/62/90/793656290.db2.gz RJYOOGITZRWLMN-CABZTGNLSA-N 1 0 342.237 2.047 10 10 EECERO CCO[C@@H](C[NH2+]C1CCN(c2ccc(OC)cc2)CC1)CN(C)C ZINC000922755246 801822148 /nfs/dbraw/zinc/82/21/48/801822148.db2.gz ZIEXIAFMTITRCJ-IBGZPJMESA-N 1 0 335.492 2.220 10 10 EECERO OC[C@H](C[NH2+]Cc1cc(Br)ccc1O)c1cccnc1 ZINC000808431114 812651964 /nfs/dbraw/zinc/65/19/64/812651964.db2.gz NRFYWLRHIQQOHD-ZDUSSCGKSA-N 1 0 337.217 2.415 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cn2nc(C)cc2C)cc1C ZINC001480498340 1100317320 /nfs/dbraw/zinc/31/73/20/1100317320.db2.gz DQZOXLQCZXEZED-OAHLLOKOSA-N 1 0 344.459 2.111 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccncn2)cc1C ZINC001497289881 1102262120 /nfs/dbraw/zinc/26/21/20/1102262120.db2.gz GSEXXMGYHWBPBR-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO CN(C)c1ccc([C@@H](CNC(=O)c2ncc(Cl)cn2)[NH+](C)C)cc1 ZINC001463276932 1110370815 /nfs/dbraw/zinc/37/08/15/1110370815.db2.gz BDQZUILWLBLGOI-OAHLLOKOSA-N 1 0 347.850 2.229 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)NCc1cccc(Cn2ccnc2)c1 ZINC001464047387 1110385989 /nfs/dbraw/zinc/38/59/89/1110385989.db2.gz NKNZEWHZRRIWKW-UHFFFAOYSA-N 1 0 337.379 2.202 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccnn2)cc1C ZINC001505717712 1114148722 /nfs/dbraw/zinc/14/87/22/1114148722.db2.gz XYURGBMLMCSTCT-KGLIPLIRSA-N 1 0 328.416 2.090 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cccc(=O)[nH]2)cc1C ZINC001568264134 1124393369 /nfs/dbraw/zinc/39/33/69/1124393369.db2.gz CXOPSAQIGDXFHZ-AWEZNQCLSA-N 1 0 343.427 2.355 10 10 EECERO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(N2CCOCC2)cc1 ZINC000058299760 463572801 /nfs/dbraw/zinc/57/28/01/463572801.db2.gz FSLVMQDJAPGDMI-CVEARBPZSA-N 1 0 341.459 2.112 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C ZINC000042668005 463585956 /nfs/dbraw/zinc/58/59/56/463585956.db2.gz QBLGPVBQPAXKTL-MRXNPFEDSA-N 1 0 332.444 2.080 10 10 EECERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000185502866 463835115 /nfs/dbraw/zinc/83/51/15/463835115.db2.gz SWIXCRPMKDGVMH-GXSJLCMTSA-N 1 0 327.222 2.426 10 10 EECERO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000285095692 464452604 /nfs/dbraw/zinc/45/26/04/464452604.db2.gz MYTSVVMQWLVELF-OAHLLOKOSA-N 1 0 348.468 2.401 10 10 EECERO COC(=O)/C=C/c1ccc(N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000266063657 464763534 /nfs/dbraw/zinc/76/35/34/464763534.db2.gz ZOVZPGWWXLTRJN-KGXGESDWSA-N 1 0 333.388 2.311 10 10 EECERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000248837141 464807539 /nfs/dbraw/zinc/80/75/39/464807539.db2.gz MSYSOVBWBLWDBP-UHOSZYNNSA-N 1 0 344.455 2.297 10 10 EECERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOCC2)C1 ZINC000436451684 467537446 /nfs/dbraw/zinc/53/74/46/467537446.db2.gz BCXBDVIEPYUDSY-UHFFFAOYSA-N 1 0 341.455 2.267 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)CCSC)cc2F)CC1 ZINC000106702678 529152908 /nfs/dbraw/zinc/15/29/08/529152908.db2.gz SAMYKHUOEBRSBK-UHFFFAOYSA-N 1 0 339.480 2.337 10 10 EECERO COc1cc(Br)cc(C[NH2+][C@H]2CCCN(C)C2)c1O ZINC000725846511 576066014 /nfs/dbraw/zinc/06/60/14/576066014.db2.gz KLASHCFTDLAKMV-LBPRGKRZSA-N 1 0 329.238 2.347 10 10 EECERO COc1cc(O)c(C[NH2+]CCc2cnc(C3CC3)nc2)cc1OC ZINC000776252975 577455759 /nfs/dbraw/zinc/45/57/59/577455759.db2.gz HCWZPCJNMIOQAX-UHFFFAOYSA-N 1 0 329.400 2.409 10 10 EECERO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000769468086 577578678 /nfs/dbraw/zinc/57/86/78/577578678.db2.gz ADUKAQNEZGQSGK-SNVBAGLBSA-N 1 0 348.262 2.021 10 10 EECERO COc1cc(Cl)cc(C[NH+]2CCC(OCCCO)CC2)c1O ZINC000761202840 577679003 /nfs/dbraw/zinc/67/90/03/577679003.db2.gz OTLINTBWSGFNRD-UHFFFAOYSA-N 1 0 329.824 2.418 10 10 EECERO COc1cc(C)cc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895070951 683697158 /nfs/dbraw/zinc/69/71/58/683697158.db2.gz VIHUXXWGWXVAES-UHFFFAOYSA-N 1 0 343.427 2.496 10 10 EECERO COC(=O)CCN(CC(=O)OC(C)(C)C)Cc1c(C)cccc1O ZINC000895709949 684698231 /nfs/dbraw/zinc/69/82/31/684698231.db2.gz BDJNTRZCDSRMQQ-UHFFFAOYSA-N 1 0 337.416 2.407 10 10 EECERO C[C@@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)O1 ZINC001267476412 1179113200 /nfs/dbraw/zinc/11/32/00/1179113200.db2.gz BQDFXWLRJAOSIA-DOMZBBRYSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(F)CCOCC2)cc1C ZINC001268649163 1183577876 /nfs/dbraw/zinc/57/78/76/1183577876.db2.gz DPFUYIUSWGIORP-CQSZACIVSA-N 1 0 338.423 2.117 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCO[C@@H]2C)cc1C ZINC001268893613 1183797147 /nfs/dbraw/zinc/79/71/47/1183797147.db2.gz CREXNWDEYXCZKO-WBVHZDCISA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2cn[nH]n2)cc1C ZINC001271279436 1186119140 /nfs/dbraw/zinc/11/91/40/1186119140.db2.gz ZTUOPBVBDBIMQA-HNNXBMFYSA-N 1 0 345.447 2.056 10 10 EECERO CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485231613 1191699586 /nfs/dbraw/zinc/69/95/86/1191699586.db2.gz IGANYTXGVRNCCZ-STQMWFEESA-N 1 0 349.435 2.370 10 10 EECERO c1csc(SCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)n1 ZINC000865468722 1198234111 /nfs/dbraw/zinc/23/41/11/1198234111.db2.gz KHEXFJLVMLCXAO-GFCCVEGCSA-N 1 0 339.490 2.043 10 10 EECERO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924728557 1206025136 /nfs/dbraw/zinc/02/51/36/1206025136.db2.gz JIXXJUYXAZVKNN-INMHGKMJSA-N 1 0 345.487 2.149 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)OC(C)(C)C2)c1 ZINC000930217695 1206542206 /nfs/dbraw/zinc/54/22/06/1206542206.db2.gz ZIRZCJLQNZSAKM-OLZOCXBDSA-N 1 0 336.432 2.077 10 10 EECERO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000932054345 1207525289 /nfs/dbraw/zinc/52/52/89/1207525289.db2.gz QFIQXBQKEFAKLX-CEXWTWQISA-N 1 0 344.455 2.154 10 10 EECERO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000304318405 1214662442 /nfs/dbraw/zinc/66/24/42/1214662442.db2.gz LVFDILCGIFEPGC-JOYOIKCWSA-N 1 0 330.222 2.414 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3(OC)CCOCC3)C2)cc1 ZINC000850489220 1277241774 /nfs/dbraw/zinc/24/17/74/1277241774.db2.gz WMWFORGMPIWUNE-HZPDHXFCSA-N 1 0 334.460 2.448 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@H](C[NH3+])c3ccccc3)C2)cc1 ZINC000851639877 1277696546 /nfs/dbraw/zinc/69/65/46/1277696546.db2.gz MDBWKDJEAHCMRO-VQIMIIECSA-N 1 0 339.439 2.133 10 10 EECERO CC[N@H+](CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852064849 1291979467 /nfs/dbraw/zinc/97/94/67/1291979467.db2.gz SCVMXQCRUXKTGT-MRXNPFEDSA-N 1 0 348.491 2.303 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)C3CC3)C2)cc1 ZINC000852190789 1292034586 /nfs/dbraw/zinc/03/45/86/1292034586.db2.gz HGHHFVNLSQTMMH-HUUCEWRRSA-N 1 0 346.475 2.056 10 10 EECERO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843559 1292212934 /nfs/dbraw/zinc/21/29/34/1292212934.db2.gz AZSCJHGBRIUGLL-YOEHRIQHSA-N 1 0 333.476 2.414 10 10 EECERO CCON(CC)C(=O)C[NH2+]Cc1cc(Br)ccc1O ZINC000858219039 1294049839 /nfs/dbraw/zinc/04/98/39/1294049839.db2.gz CMAZXEXJRAECIN-UHFFFAOYSA-N 1 0 331.210 2.044 10 10 EECERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858275552 1294067897 /nfs/dbraw/zinc/06/78/97/1294067897.db2.gz BYRSVUHMSUFEAE-INIZCTEOSA-N 1 0 348.447 2.005 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000840269598 1315341193 /nfs/dbraw/zinc/34/11/93/1315341193.db2.gz YMONEHZPXRGFJK-WBVHZDCISA-N 1 0 332.492 2.385 10 10 EECERO CC[C@@H](C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)OC ZINC001317070011 1332068813 /nfs/dbraw/zinc/06/88/13/1332068813.db2.gz WQFASYCMWUGVNZ-GJZGRUSLSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2c(C)nn(C)c2C)cc1C ZINC001317257444 1332155266 /nfs/dbraw/zinc/15/52/66/1332155266.db2.gz WKTRECOHIHOITO-ZDUSSCGKSA-N 1 0 344.459 2.262 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2CC(OC)C2)cc1C ZINC001319201190 1332664343 /nfs/dbraw/zinc/66/43/43/1332664343.db2.gz GKQAQRJWGOTKTM-IGEOTXOUSA-N 1 0 334.460 2.271 10 10 EECERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2nnc[nH]2)cc1C ZINC001319631560 1332731425 /nfs/dbraw/zinc/73/14/25/1332731425.db2.gz PIJPVCSTAZDHKH-HNNXBMFYSA-N 1 0 345.447 2.056 10 10 EECERO C[C@H]([NH2+]CCOCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC001325887395 1333985536 /nfs/dbraw/zinc/98/55/36/1333985536.db2.gz CJJGCAQRVYWKST-AWEZNQCLSA-N 1 0 342.867 2.226 10 10 EECERO COCn1ncc(C)c1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001327199928 1334244993 /nfs/dbraw/zinc/24/49/93/1334244993.db2.gz OFLNDPCKVPNGKJ-OAHLLOKOSA-N 1 0 330.432 2.173 10 10 EECERO COc1ccc(C[NH2+]CC2CC(NC(=O)C[C@@H](C)OC)C2)cc1C ZINC001328834389 1334531249 /nfs/dbraw/zinc/53/12/49/1334531249.db2.gz AODRLJIRZUERAQ-ODIFPOPNSA-N 1 0 334.460 2.413 10 10 EECERO O=C(NCc1cc(O)ccc1O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001651223012 1354045069 /nfs/dbraw/zinc/04/50/69/1354045069.db2.gz WFGULIKJVUFYBL-HNNXBMFYSA-N 1 0 341.411 2.021 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NC2(C[NH2+]CCF)CCCC2)cc1 ZINC001665968282 1355417508 /nfs/dbraw/zinc/41/75/08/1355417508.db2.gz DJHYGYJWZOLGLN-UHFFFAOYSA-N 1 0 335.383 2.451 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(C)=C2CCC2)cc1C ZINC001667821125 1355818643 /nfs/dbraw/zinc/81/86/43/1355818643.db2.gz YORUJQRCUFHBRQ-KRWDZBQOSA-N 1 0 332.444 2.071 10 10 EECERO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H](C)C(C)C)CC2)cc1 ZINC000819092819 785398384 /nfs/dbraw/zinc/39/83/84/785398384.db2.gz FIPPRVHLNINPIY-HKUYNNGSSA-N 1 0 349.519 2.060 10 10 EECERO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000819698806 785646290 /nfs/dbraw/zinc/64/62/90/785646290.db2.gz SNCPNMQUEIPIQU-GJZGRUSLSA-N 1 0 348.443 2.014 10 10 EECERO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910950823 787131123 /nfs/dbraw/zinc/13/11/23/787131123.db2.gz JRRGBLOOWQIJTB-UHFFFAOYSA-N 1 0 341.411 2.334 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000824455596 788192022 /nfs/dbraw/zinc/19/20/22/788192022.db2.gz UZTULKIHTPPTPP-NSHDSACASA-N 1 0 340.807 2.328 10 10 EECERO O=[N+]([O-])c1cc(C[NH2+]CC[C@]2(O)CCOC2)ccc1N1CCCCC1 ZINC000846046581 790035915 /nfs/dbraw/zinc/03/59/15/790035915.db2.gz JGEKAEUANKISDA-SFHVURJKSA-N 1 0 349.431 2.216 10 10 EECERO C[C@@H]1[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000925344851 793656103 /nfs/dbraw/zinc/65/61/03/793656103.db2.gz RJYOOGITZRWLMN-BXKDBHETSA-N 1 0 342.237 2.047 10 10 EECERO C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1c1cc[nH+]cc1 ZINC000915277969 795808215 /nfs/dbraw/zinc/80/82/15/795808215.db2.gz MFZSHHWGDDEPRZ-MFBWXBCUSA-N 1 0 339.395 2.243 10 10 EECERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cc(Br)ccc1O ZINC000716790415 796454911 /nfs/dbraw/zinc/45/49/11/796454911.db2.gz PLGZORATPNIVRU-HSLLBKHCSA-N 1 0 327.222 2.459 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CCF)CCCC2)cc1 ZINC001495964053 1101845724 /nfs/dbraw/zinc/84/57/24/1101845724.db2.gz XCXUPGVIOOCYQA-UHFFFAOYSA-N 1 0 335.383 2.451 10 10 EECERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185774969 463877300 /nfs/dbraw/zinc/87/73/00/463877300.db2.gz PBLJPJYXGKSKHN-SMDDNHRTSA-N 1 0 332.404 2.324 10 10 EECERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000774677440 577410394 /nfs/dbraw/zinc/41/03/94/577410394.db2.gz DLJVXHNABSIBGU-LSDHHAIUSA-N 1 0 344.411 2.483 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000769527246 577579837 /nfs/dbraw/zinc/57/98/37/577579837.db2.gz OUMXXEPVJWPBIA-FQEVSTJZSA-N 1 0 346.471 2.293 10 10 EECERO COc1ccc(N2CCC([NH2+]Cc3cn4cccnc4n3)CC2)cc1 ZINC000758349103 577622550 /nfs/dbraw/zinc/62/25/50/577622550.db2.gz XOLNSQZZBDZFLO-UHFFFAOYSA-N 1 0 337.427 2.497 10 10 EECERO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000758408148 577624121 /nfs/dbraw/zinc/62/41/21/577624121.db2.gz RBCLKYWRXBQBCO-INIZCTEOSA-N 1 0 348.491 2.177 10 10 EECERO CCc1n[nH]cc1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001670812320 1185591941 /nfs/dbraw/zinc/59/19/41/1185591941.db2.gz WGAAKRPJFVLWDR-UHFFFAOYSA-N 1 0 342.443 2.341 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCCO2)C(C)C)cc1C ZINC001271808608 1186508748 /nfs/dbraw/zinc/50/87/48/1186508748.db2.gz JKBMENSPQMVMRC-AEFFLSMTSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2csc(=O)[nH]2)cc1C ZINC001482862557 1187776347 /nfs/dbraw/zinc/77/63/47/1187776347.db2.gz VJJFAGUQBLFIRN-LBPRGKRZSA-N 1 0 349.456 2.464 10 10 EECERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Br)ccc1O ZINC000841892507 1188130937 /nfs/dbraw/zinc/13/09/37/1188130937.db2.gz ZUPQIGPQNWEECM-VXGBXAGGSA-N 1 0 343.265 2.042 10 10 EECERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841989854 1188216371 /nfs/dbraw/zinc/21/63/71/1188216371.db2.gz RLMDCGPQKYDNIV-PVAVHDDUSA-N 1 0 347.459 2.081 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001485127771 1191662870 /nfs/dbraw/zinc/66/28/70/1191662870.db2.gz CBJZBJDXJGDWCW-OLZOCXBDSA-N 1 0 330.432 2.332 10 10 EECERO CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000872147174 1198055089 /nfs/dbraw/zinc/05/50/89/1198055089.db2.gz FGUJBWAEFPNKMO-ZWNOBZJWSA-N 1 0 334.313 2.303 10 10 EECERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O ZINC000866492102 1201530151 /nfs/dbraw/zinc/53/01/51/1201530151.db2.gz DITXOLRVKIIOHJ-JGGQBBKZSA-N 1 0 336.432 2.413 10 10 EECERO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)O2)[C@H]1C ZINC000886340812 1202494448 /nfs/dbraw/zinc/49/44/48/1202494448.db2.gz LTEIWBNQLGLIMP-MMNXLFCMSA-N 1 0 335.400 2.183 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2[nH]cnc2C)cc1C ZINC001275554986 1205409870 /nfs/dbraw/zinc/40/98/70/1205409870.db2.gz ZTUCMGRPQJQHNW-UONOGXRCSA-N 1 0 344.459 2.261 10 10 EECERO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnnc1 ZINC000924759611 1206028253 /nfs/dbraw/zinc/02/82/53/1206028253.db2.gz KYRZOASRTLYELA-CYBMUJFWSA-N 1 0 330.407 2.428 10 10 EECERO COc1cc(Cl)cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827699475 1248655460 /nfs/dbraw/zinc/65/54/60/1248655460.db2.gz HUQNSBBCKPNFPS-HNNXBMFYSA-N 1 0 340.851 2.085 10 10 EECERO CO[C@]1(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)CCS(=O)(=O)C1 ZINC000903365401 1240319889 /nfs/dbraw/zinc/31/98/89/1240319889.db2.gz NABPOGHQIQKMPX-UGSOOPFHSA-N 1 0 349.452 2.400 10 10 EECERO Cc1cc(CN2CC[NH+](C[C@@H](C)O)CC2)ccc1N1CCCCC1 ZINC000827667921 1248627167 /nfs/dbraw/zinc/62/71/67/1248627167.db2.gz NJGMPHYJJZEUTI-GOSISDBHSA-N 1 0 331.504 2.484 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](OC)C3CC3)C2)cc1C ZINC001691437043 1276643836 /nfs/dbraw/zinc/64/38/36/1276643836.db2.gz QFXWYRQLUVXLSK-WDYCEAGBSA-N 1 0 346.471 2.413 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)nnn4C)C2)cc1 ZINC000850347535 1277191186 /nfs/dbraw/zinc/19/11/86/1277191186.db2.gz STHOPOKVXHNUFA-HNNXBMFYSA-N 1 0 337.427 2.345 10 10 EECERO Nc1ccc(CCNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000851662715 1277706983 /nfs/dbraw/zinc/70/69/83/1277706983.db2.gz HEZCGOBDYMAMEP-KRWDZBQOSA-N 1 0 330.476 2.233 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N(C)CC[N@H+](C)C3CC3)C2)cc1 ZINC000854299065 1292709868 /nfs/dbraw/zinc/70/98/68/1292709868.db2.gz KLURPBKMMAAAEA-OAHLLOKOSA-N 1 0 346.475 2.010 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C3CC3)C2)cc1 ZINC000855226518 1293118519 /nfs/dbraw/zinc/11/85/19/1293118519.db2.gz QFVGMKPCNICGLE-RDTXWAMCSA-N 1 0 329.444 2.017 10 10 EECERO C[N@@H+]1C[C@@]2(C)CN(Cc3ccc(N4CCOCC4)cc3)C[C@@]2(C)C1 ZINC000931315835 1297133860 /nfs/dbraw/zinc/13/38/60/1297133860.db2.gz BZHYAFVIIOOUTC-BGYRXZFFSA-N 1 0 329.488 2.297 10 10 EECERO O=C(NCCCSc1nccs1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841858418 1315625379 /nfs/dbraw/zinc/62/53/79/1315625379.db2.gz YRDZYYYEBMKZMI-TXEJJXNPSA-N 1 0 326.491 2.161 10 10 EECERO CCOc1cccc(C[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c1O ZINC000843432586 1315914644 /nfs/dbraw/zinc/91/46/44/1315914644.db2.gz NUPIMTPAOAAWNF-OAHLLOKOSA-N 1 0 346.349 2.291 10 10 EECERO COc1nc(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001266163648 1323732535 /nfs/dbraw/zinc/73/25/35/1323732535.db2.gz MJZAFABNOKEMBS-CYBMUJFWSA-N 1 0 347.415 2.298 10 10 EECERO C/C=C(/C)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001327553834 1334313828 /nfs/dbraw/zinc/31/38/28/1334313828.db2.gz DUTTWULKHABUNZ-NDAPLARTSA-N 1 0 346.471 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC2(O)CCC2)C2CC2)cc1C ZINC001566708611 1342609550 /nfs/dbraw/zinc/60/95/50/1342609550.db2.gz KPTQJZAAESHPKA-KRWDZBQOSA-N 1 0 346.471 2.293 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cncn2C)C2CC2)cc1C ZINC001566714561 1342611312 /nfs/dbraw/zinc/61/13/12/1342611312.db2.gz MRAZGDKSMYKVRW-MRXNPFEDSA-N 1 0 342.443 2.035 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2cc(C)on2)cc1C ZINC001666870871 1355607034 /nfs/dbraw/zinc/60/70/34/1355607034.db2.gz PHWOYIXNWXJBGD-AWEZNQCLSA-N 1 0 345.443 2.479 10 10 EECERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCOCC[NH+](C)C ZINC001671804039 1356417572 /nfs/dbraw/zinc/41/75/72/1356417572.db2.gz RGNGRWDCAZUFMY-UHFFFAOYSA-N 1 0 348.491 2.006 10 10 EECERO CCCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001673855637 1356750487 /nfs/dbraw/zinc/75/04/87/1356750487.db2.gz UDUCIWZSWMKLHF-RDJZCZTQSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2c(C)cnn2C)cc1C ZINC001698758721 1405047821 /nfs/dbraw/zinc/04/78/21/1405047821.db2.gz BQXQEJVTRXYZDQ-ZDUSSCGKSA-N 1 0 344.459 2.201 10 10 EECERO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000918839791 769413998 /nfs/dbraw/zinc/41/39/98/769413998.db2.gz VTEKCERTGQQJTP-INIZCTEOSA-N 1 0 338.455 2.253 10 10 EECERO CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1O ZINC000809569949 783191837 /nfs/dbraw/zinc/19/18/37/783191837.db2.gz MNJCUBBHIRHJDM-GOSISDBHSA-N 1 0 333.359 2.437 10 10 EECERO C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000816921842 784335421 /nfs/dbraw/zinc/33/54/21/784335421.db2.gz IOMNPOGZHGRYMI-RDJZCZTQSA-N 1 0 332.444 2.242 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC34CC4)cc2F)CC1 ZINC000817433158 784782549 /nfs/dbraw/zinc/78/25/49/784782549.db2.gz ZJYYAPPRXFHXMQ-HNNXBMFYSA-N 1 0 331.435 2.384 10 10 EECERO CC1(C)CCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000170872879 791108766 /nfs/dbraw/zinc/10/87/66/791108766.db2.gz AWTKYFWCLFKKFC-UHFFFAOYSA-N 1 0 349.450 2.153 10 10 EECERO COc1ccc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824517557 788198788 /nfs/dbraw/zinc/19/87/88/788198788.db2.gz YRRILLUNGXUUKZ-ZDUSSCGKSA-N 1 0 333.409 2.062 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccnc2OC)cc1C ZINC001497901215 1103287954 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COC(=O)/C=C/c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089543 463482338 /nfs/dbraw/zinc/48/23/38/463482338.db2.gz CNCPOGVCZJCFSJ-ZKKXHLJNSA-N 1 0 345.399 2.456 10 10 EECERO CCn1nccc1CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000284494912 464216183 /nfs/dbraw/zinc/21/61/83/464216183.db2.gz UQZVONGGGIBFDU-UHFFFAOYSA-N 1 0 332.423 2.415 10 10 EECERO COc1ccc(O)c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000180079142 464236856 /nfs/dbraw/zinc/23/68/56/464236856.db2.gz ZZZADFODAAMQRK-HNNXBMFYSA-N 1 0 328.416 2.292 10 10 EECERO COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000284899993 464384628 /nfs/dbraw/zinc/38/46/28/464384628.db2.gz FRKOCBBHHUEEAB-OCCSQVGLSA-N 1 0 331.840 2.302 10 10 EECERO CO[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000189281902 464469640 /nfs/dbraw/zinc/46/96/40/464469640.db2.gz MRXMZIQJQGDGEW-YJBOKZPZSA-N 1 0 333.476 2.068 10 10 EECERO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1O ZINC000248863657 464811631 /nfs/dbraw/zinc/81/16/31/464811631.db2.gz HCMQCCPVWMIDJP-SWLSCSKDSA-N 1 0 340.851 2.207 10 10 EECERO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000375792966 466876117 /nfs/dbraw/zinc/87/61/17/466876117.db2.gz RMFXJZCHCFHWGR-UFYCRDLUSA-N 1 0 329.488 2.486 10 10 EECERO COC1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444258682 467582321 /nfs/dbraw/zinc/58/23/21/467582321.db2.gz KAFPAYCOOSWHRK-UHFFFAOYSA-N 1 0 341.455 2.265 10 10 EECERO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(C(F)(F)F)c1 ZINC000280517881 490719143 /nfs/dbraw/zinc/71/91/43/490719143.db2.gz HJPPALUTSAVOGT-INIZCTEOSA-N 1 0 341.377 2.483 10 10 EECERO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291646214 534233214 /nfs/dbraw/zinc/23/32/14/534233214.db2.gz JGLAWMIHUFJNJF-KPZWWZAWSA-N 1 0 338.423 2.358 10 10 EECERO COc1cc(C)cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000766670540 577523121 /nfs/dbraw/zinc/52/31/21/577523121.db2.gz RKOJMCJHWAASTJ-AWEZNQCLSA-N 1 0 327.446 2.108 10 10 EECERO CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925141793 686248033 /nfs/dbraw/zinc/24/80/33/686248033.db2.gz CYQUASXBSQOZAA-LSDHHAIUSA-N 1 0 335.473 2.113 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899147455 693632576 /nfs/dbraw/zinc/63/25/76/693632576.db2.gz RCDFZNYZMKKMSO-IBGZPJMESA-N 1 0 345.487 2.210 10 10 EECERO CO[C@H](C)C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001266622233 1177016048 /nfs/dbraw/zinc/01/60/48/1177016048.db2.gz VIUPOKUQBHOVLD-GFCCVEGCSA-N 1 0 347.419 2.078 10 10 EECERO COC[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267032927 1178124308 /nfs/dbraw/zinc/12/43/08/1178124308.db2.gz NMLBLOBRKAEEIO-NVXWUHKLSA-N 1 0 334.460 2.224 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2c(C)ncn2C)cc1C ZINC001268552837 1183243937 /nfs/dbraw/zinc/24/39/37/1183243937.db2.gz UARQLUZDADLNNG-WAYWQWQTSA-N 1 0 342.443 2.121 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccnnc2)C2CC2)cc1C ZINC001269119927 1183975815 /nfs/dbraw/zinc/97/58/15/1183975815.db2.gz FATLWSNGYFHWIU-KRWDZBQOSA-N 1 0 340.427 2.092 10 10 EECERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000905706943 1189877058 /nfs/dbraw/zinc/87/70/58/1189877058.db2.gz IOWNZZMXFQYIFW-KDOFPFPSSA-N 1 0 334.416 2.420 10 10 EECERO C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000872199417 1198081475 /nfs/dbraw/zinc/08/14/75/1198081475.db2.gz NMOPEHSXQXWLFU-BEVDRBHNSA-N 1 0 348.487 2.086 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872210271 1198088441 /nfs/dbraw/zinc/08/84/41/1198088441.db2.gz SSKGTZZQVLMOHW-YSSFQJQWSA-N 1 0 334.504 2.494 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4c(cnn4C)c3)C2)cc1 ZINC000865622014 1198301932 /nfs/dbraw/zinc/30/19/32/1198301932.db2.gz IUVGTICSWNIEQL-INIZCTEOSA-N 1 0 337.427 2.345 10 10 EECERO COC(=O)/C=C/c1ccc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000865904866 1198420411 /nfs/dbraw/zinc/42/04/11/1198420411.db2.gz XDUPCTGQEWJFNH-UNCXAERMSA-N 1 0 345.399 2.169 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cnn(C)c2)cc1C ZINC001275349425 1205317550 /nfs/dbraw/zinc/31/75/50/1205317550.db2.gz UXMQBRRMNICPGE-KGLIPLIRSA-N 1 0 330.432 2.034 10 10 EECERO COc1ccc(N2CCN(CC[NH2+]C3[C@@H](C)COC[C@@H]3C)CC2)cc1 ZINC000924832241 1206039468 /nfs/dbraw/zinc/03/94/68/1206039468.db2.gz QHDQNSMOPPDBNS-IRXDYDNUSA-N 1 0 347.503 2.078 10 10 EECERO C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000925843868 1206159326 /nfs/dbraw/zinc/15/93/26/1206159326.db2.gz HBVUGPXJOSSHSV-ZDUSSCGKSA-N 1 0 327.419 2.397 10 10 EECERO C[NH+](C)CC[C@H](NC(=O)NCc1c(O)cccc1F)c1cccnc1 ZINC000925920987 1206168802 /nfs/dbraw/zinc/16/88/02/1206168802.db2.gz LSHQMMCPMDVNEU-INIZCTEOSA-N 1 0 346.406 2.419 10 10 EECERO CC(=O)c1cc(Cl)cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1O ZINC000796577406 1221421529 /nfs/dbraw/zinc/42/15/29/1221421529.db2.gz FZQDUDNTLXWJPC-ABAIWWIYSA-N 1 0 327.808 2.220 10 10 EECERO CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903533552 1240827789 /nfs/dbraw/zinc/82/77/89/1240827789.db2.gz HYDBQQMBTFEUEB-CHWSQXEVSA-N 1 0 334.313 2.445 10 10 EECERO CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903533555 1240827838 /nfs/dbraw/zinc/82/78/38/1240827838.db2.gz HYDBQQMBTFEUEB-STQMWFEESA-N 1 0 334.313 2.445 10 10 EECERO O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000850344333 1277189138 /nfs/dbraw/zinc/18/91/38/1277189138.db2.gz FWRZQZKRVYUNNW-UHFFFAOYSA-N 1 0 349.431 2.281 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C(C)(C)n3cncn3)C2)cc1 ZINC000850486902 1277245071 /nfs/dbraw/zinc/24/50/71/1277245071.db2.gz DQRZBFUGOMGNKZ-HUUCEWRRSA-N 1 0 329.448 2.279 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C[NH3+])C3CCCC3)C2)cc1 ZINC000851664023 1277708220 /nfs/dbraw/zinc/70/82/20/1277708220.db2.gz PEJQNCCHRWMJRQ-CRAIPNDOSA-N 1 0 346.475 2.091 10 10 EECERO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851664654 1277709125 /nfs/dbraw/zinc/70/91/25/1277709125.db2.gz IEVWNCOTZZAZMU-AWEZNQCLSA-N 1 0 334.464 2.091 10 10 EECERO COCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001489314580 1290506588 /nfs/dbraw/zinc/50/65/88/1290506588.db2.gz LOPQMDSQMQVNNO-DOMZBBRYSA-N 1 0 347.419 2.078 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(F)ccc1O ZINC000858565359 1294155822 /nfs/dbraw/zinc/15/58/22/1294155822.db2.gz NGXLRYCJUNFUOU-WMLDXEAASA-N 1 0 345.418 2.478 10 10 EECERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC001118803984 1308944274 /nfs/dbraw/zinc/94/42/74/1308944274.db2.gz UQQQATCNNGCWID-IINYFYTJSA-N 1 0 346.265 2.402 10 10 EECERO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000840976815 1315450083 /nfs/dbraw/zinc/45/00/83/1315450083.db2.gz GKTXNQSLDNIRKU-CYBMUJFWSA-N 1 0 326.437 2.230 10 10 EECERO Cc1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000843418744 1315911393 /nfs/dbraw/zinc/91/13/93/1315911393.db2.gz XSQSIWKXGBYBSJ-CQSZACIVSA-N 1 0 333.409 2.025 10 10 EECERO CO[C@H](C)C[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001284819250 1326728161 /nfs/dbraw/zinc/72/81/61/1326728161.db2.gz XIUXXROWPPLHNG-VCANKDNSSA-N 1 0 347.419 2.077 10 10 EECERO CCc1nnc(N(C)Cc2ccccc2O)n1CC[NH+]1CCCC1 ZINC001292840609 1328523261 /nfs/dbraw/zinc/52/32/61/1328523261.db2.gz ILLBTMUJSGXTIP-UHFFFAOYSA-N 1 0 329.448 2.278 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cnn(CCF)c2)cc1C ZINC001317255786 1332154758 /nfs/dbraw/zinc/15/47/58/1332154758.db2.gz BYBKENFEVPIEAR-CQSZACIVSA-N 1 0 348.422 2.078 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cn(C)nc2C)cc1C ZINC001319437816 1332701436 /nfs/dbraw/zinc/70/14/36/1332701436.db2.gz WZEPOGPTQODEQQ-CQSZACIVSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCn2ccnc2)cc1C ZINC001319510058 1332713419 /nfs/dbraw/zinc/71/34/19/1332713419.db2.gz IVADKGLSJFDCQC-INIZCTEOSA-N 1 0 344.459 2.227 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCOCC2)cc1C ZINC001321500242 1333114004 /nfs/dbraw/zinc/11/40/04/1333114004.db2.gz PKRONRVUPCCXHE-NVXWUHKLSA-N 1 0 334.460 2.415 10 10 EECERO COC(=O)c1c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c2cc(F)ccc2n1C ZINC001331550909 1335035769 /nfs/dbraw/zinc/03/57/69/1335035769.db2.gz WHPJVHTUXREFIE-LJQANCHMSA-N 1 0 346.402 2.451 10 10 EECERO COCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC001569526410 1342892865 /nfs/dbraw/zinc/89/28/65/1342892865.db2.gz GAQWSBBPJNVONB-SWLSCSKDSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)C=C2CCC2)cc1C ZINC001677070050 1357274279 /nfs/dbraw/zinc/27/42/79/1357274279.db2.gz KLTPACMKLYZNTI-QGZVFWFLSA-N 1 0 332.444 2.023 10 10 EECERO C[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001587927485 1348875091 /nfs/dbraw/zinc/87/50/91/1348875091.db2.gz IFNLCAVVZSNFKH-UHFFFAOYSA-N 1 0 341.411 2.031 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3CC[C@]4(CCOC4=O)C3)cc2)CC1 ZINC001655137732 1354165701 /nfs/dbraw/zinc/16/57/01/1354165701.db2.gz NXTZCOUKGOWAQX-FQEVSTJZSA-N 1 0 344.455 2.441 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2c(C)cnn2C)cc1C ZINC001662959834 1354881538 /nfs/dbraw/zinc/88/15/38/1354881538.db2.gz NTODSLYIKOTRFQ-HNNXBMFYSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccnn2C)cc1C ZINC001674641266 1356868520 /nfs/dbraw/zinc/86/85/20/1356868520.db2.gz SGCHKCGKJVGWAR-KGLIPLIRSA-N 1 0 330.432 2.034 10 10 EECERO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000846673332 790366508 /nfs/dbraw/zinc/36/65/08/790366508.db2.gz RNTXKAXSRKAKLN-QZTJIDSGSA-N 1 0 345.512 2.387 10 10 EECERO CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341941 785246302 /nfs/dbraw/zinc/24/63/02/785246302.db2.gz JICXNLOPRHGXOB-JKSUJKDBSA-N 1 0 329.448 2.181 10 10 EECERO COc1cccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000822526830 787235718 /nfs/dbraw/zinc/23/57/18/787235718.db2.gz YZVSCZSOKILZHF-GOSISDBHSA-N 1 0 335.444 2.448 10 10 EECERO COc1cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c(O)c(C(C)(C)C)c1 ZINC000922992891 788511674 /nfs/dbraw/zinc/51/16/74/788511674.db2.gz UMOVLNRJGMOSKA-CYBMUJFWSA-N 1 0 344.459 2.474 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844401270 789067233 /nfs/dbraw/zinc/06/72/33/789067233.db2.gz IZPMMVRTJUZRSM-QGZVFWFLSA-N 1 0 333.432 2.046 10 10 EECERO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000846159259 790066790 /nfs/dbraw/zinc/06/67/90/790066790.db2.gz DOZLQKVBWDEWPF-HNNXBMFYSA-N 1 0 348.491 2.224 10 10 EECERO COc1cc(Br)cc(C[NH2+]C2(CC(N)=O)CCC2)c1O ZINC000789553754 808061375 /nfs/dbraw/zinc/06/13/75/808061375.db2.gz KYNQFMFRYHJKCA-UHFFFAOYSA-N 1 0 343.221 2.051 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2sccc2C)cc1C ZINC001496927478 1101730286 /nfs/dbraw/zinc/73/02/86/1101730286.db2.gz KCOZZBLTQQESCG-HNNXBMFYSA-N 1 0 348.468 2.254 10 10 EECERO CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001507298835 1115180622 /nfs/dbraw/zinc/18/06/22/1115180622.db2.gz RGHFPENDHYJDAT-DOMZBBRYSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2csnn2)cc1C ZINC001568663426 1124677753 /nfs/dbraw/zinc/67/77/53/1124677753.db2.gz YZEZHVSOUFONND-LBPRGKRZSA-N 1 0 334.445 2.153 10 10 EECERO COc1cc(O)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000280333060 464198117 /nfs/dbraw/zinc/19/81/17/464198117.db2.gz RJRRJSABRXEQPM-SFHVURJKSA-N 1 0 337.416 2.179 10 10 EECERO Cc1ccc(O)c(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000121230166 463101046 /nfs/dbraw/zinc/10/10/46/463101046.db2.gz WRSDCAJPGZXZDB-UHFFFAOYSA-N 1 0 328.460 2.494 10 10 EECERO COC(=O)/C=C/c1ccc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000057838468 463523521 /nfs/dbraw/zinc/52/35/21/463523521.db2.gz HNQWHGYVAVPSNR-KGXGESDWSA-N 1 0 333.388 2.311 10 10 EECERO Cc1cc(Cl)cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000289369344 464076115 /nfs/dbraw/zinc/07/61/15/464076115.db2.gz LGHHQWQXQMCUJF-UHFFFAOYSA-N 1 0 346.880 2.115 10 10 EECERO C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295118722 464712229 /nfs/dbraw/zinc/71/22/29/464712229.db2.gz MSYKJFLSAIHGLX-HIFRSBDPSA-N 1 0 341.249 2.060 10 10 EECERO CN(C)c1ccc(CNC(=O)CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000298355055 465372907 /nfs/dbraw/zinc/37/29/07/465372907.db2.gz TWQZHJPESJWZAS-DOTOQJQBSA-N 1 0 337.414 2.346 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1 ZINC000367831713 466542361 /nfs/dbraw/zinc/54/23/61/466542361.db2.gz KDBBHHKQRSODDD-AWEZNQCLSA-N 1 0 327.446 2.190 10 10 EECERO Oc1cc2c(cc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)OCO2 ZINC000527747448 467664285 /nfs/dbraw/zinc/66/42/85/467664285.db2.gz XWLPCMZLLRTMSR-CYBMUJFWSA-N 1 0 329.278 2.211 10 10 EECERO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000773732503 577361591 /nfs/dbraw/zinc/36/15/91/577361591.db2.gz CGULODMTQKIZDM-GOSISDBHSA-N 1 0 345.487 2.214 10 10 EECERO Cc1cc(Br)cc(C[NH2+]C2(CCO)CCOCC2)c1O ZINC000775757310 577444902 /nfs/dbraw/zinc/44/49/02/577444902.db2.gz GEDPRYVQKPVVLI-UHFFFAOYSA-N 1 0 344.249 2.484 10 10 EECERO NC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000776942217 577470166 /nfs/dbraw/zinc/47/01/66/577470166.db2.gz VFZGDHUPKRKGON-LJQANCHMSA-N 1 0 345.487 2.437 10 10 EECERO CCON(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000753618211 577790814 /nfs/dbraw/zinc/79/08/14/577790814.db2.gz TVBXTWGFMKTMEA-UHFFFAOYSA-N 1 0 346.475 2.312 10 10 EECERO COc1cccc(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1O ZINC000745807363 577918944 /nfs/dbraw/zinc/91/89/44/577918944.db2.gz BEFRRJTYVIQJFT-KBPBESRZSA-N 1 0 335.448 2.463 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@@H]3CCCC[C@H]3C1)cc2=O ZINC000177572910 681380833 /nfs/dbraw/zinc/38/08/33/681380833.db2.gz ZTTOJRQRQUCVKK-STQMWFEESA-N 1 0 344.415 2.234 10 10 EECERO C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000914201113 683355615 /nfs/dbraw/zinc/35/56/15/683355615.db2.gz XCLXVWVDRFSGCA-RHSMWYFYSA-N 1 0 348.516 2.132 10 10 EECERO CN(C)c1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1F ZINC000895340705 684515804 /nfs/dbraw/zinc/51/58/04/684515804.db2.gz ARDBDAUOWVIGIE-OAHLLOKOSA-N 1 0 334.439 2.271 10 10 EECERO CCOc1ccc(O)c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1 ZINC000895345281 684521788 /nfs/dbraw/zinc/52/17/88/684521788.db2.gz ZDIVYNPGSVWAHT-HNNXBMFYSA-N 1 0 333.432 2.171 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccncc2F)cc1C ZINC001266666896 1177096047 /nfs/dbraw/zinc/09/60/47/1177096047.db2.gz HYJKUXMDTDWOCP-UHFFFAOYSA-N 1 0 331.391 2.400 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCO[C@H]2C)cc1C ZINC001268893607 1183797516 /nfs/dbraw/zinc/79/75/16/1183797516.db2.gz CREXNWDEYXCZKO-DOTOQJQBSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCOC2)cc1C ZINC001482263803 1184836240 /nfs/dbraw/zinc/83/62/40/1184836240.db2.gz BIVBAYCPTXBVIL-DOTOQJQBSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1C ZINC001483080027 1188441097 /nfs/dbraw/zinc/44/10/97/1188441097.db2.gz KANWFRJCTURVOG-BPNLWIQDSA-N 1 0 344.455 2.192 10 10 EECERO COc1cc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c(O)cc1C ZINC000905709579 1189878624 /nfs/dbraw/zinc/87/86/24/1189878624.db2.gz BALAPXWVNCHJBD-SFHVURJKSA-N 1 0 334.416 2.420 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2c(C)cnn2C)cc1C ZINC001485180445 1191679050 /nfs/dbraw/zinc/67/90/50/1191679050.db2.gz DBXOWLHIZKKRBX-LSDHHAIUSA-N 1 0 344.459 2.342 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1O ZINC000794711147 1197904887 /nfs/dbraw/zinc/90/48/87/1197904887.db2.gz QGHXKYOYVCDLNM-IBGZPJMESA-N 1 0 342.395 2.029 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@@H](O)C[C@](C)(O)C3CC3)CC2)cc1 ZINC000872200479 1198082582 /nfs/dbraw/zinc/08/25/82/1198082582.db2.gz QWEIGYAJIVBDLG-ICSRJNTNSA-N 1 0 348.487 2.166 10 10 EECERO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810256671 1199405971 /nfs/dbraw/zinc/40/59/71/1199405971.db2.gz DTCVLVKKXZBZGO-GDBMZVCRSA-N 1 0 340.439 2.364 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209226 1201465368 /nfs/dbraw/zinc/46/53/68/1201465368.db2.gz ZRQXZPVOVIWWMJ-FAKDPMAQSA-N 1 0 345.399 2.311 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2ccc[nH]2)cc1C ZINC001274601690 1205093838 /nfs/dbraw/zinc/09/38/38/1205093838.db2.gz WGZCHBFBIQNNJL-ONEGZZNKSA-N 1 0 327.428 2.336 10 10 EECERO Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c(O)c1O ZINC000928836254 1206426068 /nfs/dbraw/zinc/42/60/68/1206426068.db2.gz LCZQLNUMMDBQER-OAHLLOKOSA-N 1 0 329.400 2.224 10 10 EECERO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900337483 1234233700 /nfs/dbraw/zinc/23/37/00/1234233700.db2.gz HTFGSTUXPHLLIO-RBUKOAKNSA-N 1 0 343.471 2.156 10 10 EECERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000850116595 1277043273 /nfs/dbraw/zinc/04/32/73/1277043273.db2.gz PDDBYLUHPRFLDC-JEBQAFNWSA-N 1 0 332.444 2.451 10 10 EECERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000850384914 1277209165 /nfs/dbraw/zinc/20/91/65/1277209165.db2.gz SUURVXKHKKIWRE-ZFWWWQNUSA-N 1 0 329.400 2.355 10 10 EECERO [NH3+]Cc1ccc2c(c1)CCCN2CC1=NS(=O)(=O)c2ccccc21 ZINC000852741580 1292182176 /nfs/dbraw/zinc/18/21/76/1292182176.db2.gz VZTPMSDMVVLEDU-UHFFFAOYSA-N 1 0 341.436 2.090 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC000855226630 1293118653 /nfs/dbraw/zinc/11/86/53/1293118653.db2.gz RLGBTWLOBMRWMW-HNNXBMFYSA-N 1 0 336.395 2.352 10 10 EECERO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000856594507 1293576735 /nfs/dbraw/zinc/57/67/35/1293576735.db2.gz GRTZMRXKFQBQHI-GOSISDBHSA-N 1 0 331.416 2.216 10 10 EECERO C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000863542496 1296327496 /nfs/dbraw/zinc/32/74/96/1296327496.db2.gz WBBQVWYVGLVJGC-VIFPVBQESA-N 1 0 347.228 2.452 10 10 EECERO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000796765301 1304575979 /nfs/dbraw/zinc/57/59/79/1304575979.db2.gz YKBCCMPSJIIPAU-QZTJIDSGSA-N 1 0 336.501 2.446 10 10 EECERO O=C1[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CCN1C1CCOCC1 ZINC001118986006 1308968716 /nfs/dbraw/zinc/96/87/16/1308968716.db2.gz UWRCPJDYVCSRRI-IBGZPJMESA-N 1 0 343.471 2.156 10 10 EECERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842003621 1315650296 /nfs/dbraw/zinc/65/02/96/1315650296.db2.gz NUVQHRZZYZOOGH-HNNXBMFYSA-N 1 0 340.418 2.281 10 10 EECERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)[C@@H]1SC ZINC000843429614 1315914214 /nfs/dbraw/zinc/91/42/14/1315914214.db2.gz IADCGTODFHLOIV-LYRGGWFBSA-N 1 0 327.446 2.408 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(F)c3N)cc2)CC1 ZINC001153444038 1316829167 /nfs/dbraw/zinc/82/91/67/1316829167.db2.gz WAIFDHVKFSOYIL-UHFFFAOYSA-N 1 0 342.418 2.090 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001283813888 1326270760 /nfs/dbraw/zinc/27/07/60/1326270760.db2.gz ROTMQLDXTOQVDJ-FGTMMUONSA-N 1 0 346.471 2.007 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[C@H]2CCOC2)cc1C ZINC001317230586 1332145842 /nfs/dbraw/zinc/14/58/42/1332145842.db2.gz BBJLRIDUHCPEPH-HOTGVXAUSA-N 1 0 334.460 2.415 10 10 EECERO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC001324848696 1333772666 /nfs/dbraw/zinc/77/26/66/1333772666.db2.gz GNSNWQNLJAREJS-RXNFCKPNSA-N 1 0 329.366 2.422 10 10 EECERO CN1CCCc2cc(CNC(=O)N[C@H]3CC[C@H]4C[N@H+](C)C[C@H]43)ccc21 ZINC001347326534 1337504107 /nfs/dbraw/zinc/50/41/07/1337504107.db2.gz JKQQCMKHZOFZQV-KSZLIROESA-N 1 0 342.487 2.208 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000847411423 1338041939 /nfs/dbraw/zinc/04/19/39/1338041939.db2.gz CMHIVOLZMNCMNN-WOVMCDHWSA-N 1 0 348.491 2.113 10 10 EECERO O=C(Cc1ccc(O)c(O)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001624013089 1352411628 /nfs/dbraw/zinc/41/16/28/1352411628.db2.gz CLLRDRXHITYASP-AWEZNQCLSA-N 1 0 330.384 2.187 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cn[nH]c2)C2CC2)cc1C ZINC001661108104 1354591709 /nfs/dbraw/zinc/59/17/09/1354591709.db2.gz ZYJKLGNLHDJKMT-MRXNPFEDSA-N 1 0 328.416 2.025 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(C)c(C)o2)cc1C ZINC001667809522 1355817736 /nfs/dbraw/zinc/81/77/36/1355817736.db2.gz UYAWEMKXOWGZPA-MRXNPFEDSA-N 1 0 346.427 2.094 10 10 EECERO CCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCOCC1 ZINC001671957668 1356443673 /nfs/dbraw/zinc/44/36/73/1356443673.db2.gz MEGCGZARYKKDFK-UHFFFAOYSA-N 1 0 347.419 2.128 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2c(C)ncn2C)cc1C ZINC001674680991 1356875308 /nfs/dbraw/zinc/87/53/08/1356875308.db2.gz PBBTUDFLDFQIRI-UONOGXRCSA-N 1 0 344.459 2.342 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3cccnc3)CC2)cc1C ZINC001699649536 1405429481 /nfs/dbraw/zinc/42/94/81/1405429481.db2.gz XVIYUXJGJYKPHB-UHFFFAOYSA-N 1 0 339.439 2.380 10 10 EECERO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000817978396 785126500 /nfs/dbraw/zinc/12/65/00/785126500.db2.gz AGLCWQRPIDKAST-BLLLJJGKSA-N 1 0 343.393 2.310 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000922912716 788316951 /nfs/dbraw/zinc/31/69/51/788316951.db2.gz LFTBFUDARSUNON-DAYGRLMNSA-N 1 0 332.492 2.384 10 10 EECERO Cc1cc(O)c(CN2CCN(CC[NH+](C)C)C(=O)C2)cc1C(C)C ZINC000844714464 789319051 /nfs/dbraw/zinc/31/90/51/789319051.db2.gz NRSSMBLAQMYPLF-UHFFFAOYSA-N 1 0 333.476 2.030 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000046751020 790201308 /nfs/dbraw/zinc/20/13/08/790201308.db2.gz RWGVBLVVXRAKMK-UHFFFAOYSA-N 1 0 348.491 2.006 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(C)s2)cc1C ZINC001496927542 1101730721 /nfs/dbraw/zinc/73/07/21/1101730721.db2.gz LPVNCEZURISMRN-HNNXBMFYSA-N 1 0 348.468 2.254 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2[nH]cnc2C)cc1C ZINC001497734661 1102985135 /nfs/dbraw/zinc/98/51/35/1102985135.db2.gz PNXKISCCPRWNPP-PLNGDYQASA-N 1 0 342.443 2.040 10 10 EECERO COC(=O)CCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001472280699 1110550271 /nfs/dbraw/zinc/55/02/71/1110550271.db2.gz KGNRLWMSOONIMV-QGZVFWFLSA-N 1 0 349.475 2.205 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2nc(C)c[nH]2)cc1C ZINC001507132566 1115125824 /nfs/dbraw/zinc/12/58/24/1115125824.db2.gz VBVSZBJYVXKWEV-CQSZACIVSA-N 1 0 330.432 2.285 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@]2(F)CCOC2)cc1C ZINC001568668834 1124682837 /nfs/dbraw/zinc/68/28/37/1124682837.db2.gz DCXJQMUKTXRRBQ-RDTXWAMCSA-N 1 0 338.423 2.117 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)CCCO3)cc2F)CC1 ZINC000133953602 462988627 /nfs/dbraw/zinc/98/86/27/462988627.db2.gz WJDPXLXZQVALLS-LJQANCHMSA-N 1 0 349.450 2.153 10 10 EECERO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1O ZINC000187321835 464116689 /nfs/dbraw/zinc/11/66/89/464116689.db2.gz DXEZGFPZGMJQAI-YPMHNXCESA-N 1 0 343.265 2.444 10 10 EECERO CCN(CC)c1ccc(CN2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000271198900 464289619 /nfs/dbraw/zinc/28/96/19/464289619.db2.gz VPWSGLOPQFKNPP-UHFFFAOYSA-N 1 0 346.519 2.129 10 10 EECERO CCOCC[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1CC ZINC000181093572 464445225 /nfs/dbraw/zinc/44/52/25/464445225.db2.gz LWAFKOSIHIUDSU-IQIBNGDESA-N 1 0 348.443 2.070 10 10 EECERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000282940242 465009543 /nfs/dbraw/zinc/00/95/43/465009543.db2.gz IRTZINSRHJQJTF-MRXNPFEDSA-N 1 0 326.396 2.162 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1OC ZINC000529636671 467889517 /nfs/dbraw/zinc/88/95/17/467889517.db2.gz GNHNYCYONRAENO-AWEZNQCLSA-N 1 0 345.321 2.499 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000726707961 576290109 /nfs/dbraw/zinc/29/01/09/576290109.db2.gz IHOWZNZDHFLJAS-MRXNPFEDSA-N 1 0 346.475 2.057 10 10 EECERO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000772959552 577307838 /nfs/dbraw/zinc/30/78/38/577307838.db2.gz ACROBBHWGQWCPJ-HNNXBMFYSA-N 1 0 339.505 2.219 10 10 EECERO COc1cccc(O)c1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000764972443 577492196 /nfs/dbraw/zinc/49/21/96/577492196.db2.gz IAYALTGTHKWDHX-UHFFFAOYSA-N 1 0 347.390 2.061 10 10 EECERO COC[C@@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CCO1 ZINC000742157337 578128130 /nfs/dbraw/zinc/12/81/30/578128130.db2.gz KRKUCJXQMOJGSP-AWEZNQCLSA-N 1 0 345.395 2.179 10 10 EECERO COC(=O)c1c(C[NH2+][C@@H]2CCC[C@@H]2CO)c2cc(F)ccc2n1C ZINC000894929679 683411793 /nfs/dbraw/zinc/41/17/93/683411793.db2.gz AGDPOEDDHCCFBC-IAQYHMDHSA-N 1 0 334.391 2.355 10 10 EECERO C[N@@H+]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC000897067241 686093052 /nfs/dbraw/zinc/09/30/52/686093052.db2.gz GCZBFTBHESQZAV-LPHOPBHVSA-N 1 0 340.423 2.450 10 10 EECERO COc1cc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)ncn1 ZINC000185609874 1193212048 /nfs/dbraw/zinc/21/20/48/1193212048.db2.gz ZWWZYPHEGAGSID-UHFFFAOYSA-N 1 0 340.427 2.002 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cc(C)ncn2)cc1C ZINC001270386502 1185066050 /nfs/dbraw/zinc/06/60/50/1185066050.db2.gz UKOXLGAPFZEYCT-ZDUSSCGKSA-N 1 0 342.443 2.258 10 10 EECERO COC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001482570301 1186904782 /nfs/dbraw/zinc/90/47/82/1186904782.db2.gz CJJFCEZHZMMIFJ-WFASDCNBSA-N 1 0 349.435 2.228 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cncn2C)C2CC2)cc1C ZINC001483573635 1190563498 /nfs/dbraw/zinc/56/34/98/1190563498.db2.gz XCUAQKDCWITZDH-MRXNPFEDSA-N 1 0 342.443 2.035 10 10 EECERO COc1cc(C[N@@H+]2CCN(CCO)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825568469 1198305856 /nfs/dbraw/zinc/30/58/56/1198305856.db2.gz YNGVHDVMNYYZLZ-CQSZACIVSA-N 1 0 336.476 2.197 10 10 EECERO Fc1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)ccc1N1CCOCC1 ZINC000865692508 1198334573 /nfs/dbraw/zinc/33/45/73/1198334573.db2.gz LXMLGOSXQKVPAK-ZZGLYJMHSA-N 1 0 332.419 2.175 10 10 EECERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1 ZINC000866523705 1201540544 /nfs/dbraw/zinc/54/05/44/1201540544.db2.gz GAOACOXGXDPLHV-RDTXWAMCSA-N 1 0 333.432 2.015 10 10 EECERO CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Cl)ccc1O ZINC000866571246 1201550466 /nfs/dbraw/zinc/55/04/66/1201550466.db2.gz BQYLQSGESIHERG-LBPRGKRZSA-N 1 0 334.869 2.401 10 10 EECERO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CO[C@H]1C ZINC000926558845 1206227336 /nfs/dbraw/zinc/22/73/36/1206227336.db2.gz JXMVMEDSHDRMQL-MKBNYLNASA-N 1 0 326.387 2.314 10 10 EECERO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc2O1 ZINC000779672381 1210745957 /nfs/dbraw/zinc/74/59/57/1210745957.db2.gz AXJHGSOLRITHNT-PTZVLDCSSA-N 1 0 339.395 2.156 10 10 EECERO COC(=O)c1occc1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000826845190 1248088892 /nfs/dbraw/zinc/08/88/92/1248088892.db2.gz HCCZOVPAWUPFHT-CQSZACIVSA-N 1 0 330.384 2.443 10 10 EECERO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)CS1(=O)=O ZINC000850369296 1277202572 /nfs/dbraw/zinc/20/25/72/1277202572.db2.gz UPHDUTYEAWYODM-BXKDBHETSA-N 1 0 348.262 2.210 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C[NH3+])c3ccccc3)C2)cc1 ZINC000851639875 1277696904 /nfs/dbraw/zinc/69/69/04/1277696904.db2.gz MDBWKDJEAHCMRO-LPHOPBHVSA-N 1 0 339.439 2.133 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)NCCCCCC[NH3+])C2)cc1 ZINC000851665436 1277708229 /nfs/dbraw/zinc/70/82/29/1277708229.db2.gz AQADDLARVHBAOT-HNNXBMFYSA-N 1 0 334.464 2.092 10 10 EECERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852066671 1291980163 /nfs/dbraw/zinc/98/01/63/1291980163.db2.gz QJTXBRUULVIYKU-CVEARBPZSA-N 1 0 348.491 2.303 10 10 EECERO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1O ZINC000852314904 1292089455 /nfs/dbraw/zinc/08/94/55/1292089455.db2.gz NDJHQWSHWAPGRJ-LBPRGKRZSA-N 1 0 334.807 2.362 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852785279 1292197800 /nfs/dbraw/zinc/19/78/00/1292197800.db2.gz DZORTBCECGBFRN-HNNXBMFYSA-N 1 0 339.443 2.017 10 10 EECERO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1O ZINC000858488739 1294131352 /nfs/dbraw/zinc/13/13/52/1294131352.db2.gz KLJQEUTVQJWQIQ-UKRRQHHQSA-N 1 0 338.415 2.150 10 10 EECERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000863491915 1296305451 /nfs/dbraw/zinc/30/54/51/1296305451.db2.gz CTMKCUCIPZBHPY-UHFFFAOYSA-N 1 0 348.443 2.123 10 10 EECERO COc1ccc(N2CCC(N[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000841080820 1315469835 /nfs/dbraw/zinc/46/98/35/1315469835.db2.gz QPPOICLWLRTYKI-MRXNPFEDSA-N 1 0 325.403 2.251 10 10 EECERO CCOc1ccc(C[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c(O)c1 ZINC000843432144 1315914014 /nfs/dbraw/zinc/91/40/14/1315914014.db2.gz IMYGOABDOSENHG-OAHLLOKOSA-N 1 0 346.349 2.291 10 10 EECERO COCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001284155461 1326438394 /nfs/dbraw/zinc/43/83/94/1326438394.db2.gz UMWJQWQWKKJBIP-IRXDYDNUSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@]2(C)C=CCC2)cc1C ZINC001284437080 1326554915 /nfs/dbraw/zinc/55/49/15/1326554915.db2.gz WWBBMFQSPGECPY-FXAWDEMLSA-N 1 0 346.471 2.269 10 10 EECERO Cc1oncc1C[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001491689215 1330206933 /nfs/dbraw/zinc/20/69/33/1330206933.db2.gz AZVDZTLKXTXNOA-JTQLQIEISA-N 1 0 344.375 2.054 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)[C@@H]2CCCO2)cc1C ZINC001317633742 1332339207 /nfs/dbraw/zinc/33/92/07/1332339207.db2.gz REBIPTOXNVMDMY-QAPCUYQASA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2nn(C)cc2C)cc1C ZINC001319456210 1332705353 /nfs/dbraw/zinc/70/53/53/1332705353.db2.gz XWANTZABQNTJQB-HNNXBMFYSA-N 1 0 344.459 2.296 10 10 EECERO COCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001507421556 1342320332 /nfs/dbraw/zinc/32/03/32/1342320332.db2.gz OAFZECIHAMYNTJ-KRWDZBQOSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ncccn2)cc1C ZINC001676446319 1357151422 /nfs/dbraw/zinc/15/14/22/1357151422.db2.gz BGALFSOWZDXHBW-CQSZACIVSA-N 1 0 328.416 2.044 10 10 EECERO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2c(O)ccc3ccccc32)C1 ZINC001635969303 1352656301 /nfs/dbraw/zinc/65/63/01/1352656301.db2.gz OLHYRYVALAXMTJ-LJQANCHMSA-N 1 0 328.412 2.008 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1[nH]cnc1C ZINC001668664809 1355982805 /nfs/dbraw/zinc/98/28/05/1355982805.db2.gz UJHORBKGVBTSKW-UHFFFAOYSA-N 1 0 330.432 2.287 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](O)C(C)C)C(C)C)cc1C ZINC001698965364 1405190988 /nfs/dbraw/zinc/19/09/88/1405190988.db2.gz RUPJQKAQGYYYMN-SJLPKXTDSA-N 1 0 336.476 2.251 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2oc(C)cc2C)cc1C ZINC001699045919 1405244982 /nfs/dbraw/zinc/24/49/82/1405244982.db2.gz SMVPRBKRGLGEAI-INIZCTEOSA-N 1 0 346.427 2.094 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)C2)cc1 ZINC000846681653 790392861 /nfs/dbraw/zinc/39/28/61/790392861.db2.gz ASCFTDXSMVCFFU-NIKGAXFTSA-N 1 0 343.471 2.168 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3(C)C)C2)cc1 ZINC000818341738 785246119 /nfs/dbraw/zinc/24/61/19/785246119.db2.gz FHOZXHLSJIMBQI-RHSMWYFYSA-N 1 0 331.460 2.168 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000820595472 786002378 /nfs/dbraw/zinc/00/23/78/786002378.db2.gz MEIZEANHOQWTPK-AGMJWKPSSA-N 1 0 333.388 2.310 10 10 EECERO COc1ccc(O)c(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000822526385 787234980 /nfs/dbraw/zinc/23/49/80/787234980.db2.gz TXBXJYCIWWWIEK-SFHVURJKSA-N 1 0 335.444 2.448 10 10 EECERO COc1cccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000822526831 787235425 /nfs/dbraw/zinc/23/54/25/787235425.db2.gz YZVSCZSOKILZHF-SFHVURJKSA-N 1 0 335.444 2.448 10 10 EECERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824853977 788322956 /nfs/dbraw/zinc/32/29/56/788322956.db2.gz MJUOKDITZQLKOV-MSOLQXFVSA-N 1 0 332.444 2.345 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000844402920 789070160 /nfs/dbraw/zinc/07/01/60/789070160.db2.gz WSPYCNJOWBORIF-QGZVFWFLSA-N 1 0 333.476 2.463 10 10 EECERO COCCN(Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCOC1 ZINC000786189088 806708320 /nfs/dbraw/zinc/70/83/20/806708320.db2.gz GSVNVXXIORAOBZ-CQSZACIVSA-N 1 0 327.808 2.486 10 10 EECERO O=C1C[C@H](CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1 ZINC000922784759 801875860 /nfs/dbraw/zinc/87/58/60/801875860.db2.gz NBEWNDPRYCTZHF-HNNXBMFYSA-N 1 0 346.431 2.201 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000808226282 812529176 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O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)CN1 ZINC000362337378 238225855 /nfs/dbraw/zinc/22/58/55/238225855.db2.gz VEMDECZGHLNZOQ-HKUYNNGSSA-N 1 0 343.471 2.014 10 10 EECERO CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000019900127 212080871 /nfs/dbraw/zinc/08/08/71/212080871.db2.gz IWGNVTVKHIDORN-PWSUYJOCSA-N 1 0 348.262 2.383 10 10 EECERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298026702 465278485 /nfs/dbraw/zinc/27/84/85/465278485.db2.gz BEBMEAXMDYAEFZ-QFBILLFUSA-N 1 0 346.519 2.031 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552511 463843355 /nfs/dbraw/zinc/84/33/55/463843355.db2.gz WAWUJRSNXKZLQH-ZIAGYGMSSA-N 1 0 330.432 2.454 10 10 EECERO Cc1cc(Cl)cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000180722758 464379515 /nfs/dbraw/zinc/37/95/15/464379515.db2.gz YKNZMMBIOOJUBK-UHFFFAOYSA-N 1 0 346.880 2.210 10 10 EECERO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273468088 464717176 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COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000743874280 577890937 /nfs/dbraw/zinc/89/09/37/577890937.db2.gz YWQKLQZXPOCZLS-SJORKVTESA-N 1 0 345.487 2.464 10 10 EECERO COc1cccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1O ZINC000745807365 577918906 /nfs/dbraw/zinc/91/89/06/577918906.db2.gz BEFRRJTYVIQJFT-ZIAGYGMSSA-N 1 0 335.448 2.463 10 10 EECERO CC[N@@H+]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000804797761 675636146 /nfs/dbraw/zinc/63/61/46/675636146.db2.gz POIGNVFFJXYGTH-FWPCIQOSSA-N 1 0 333.388 2.311 10 10 EECERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000262223429 683702597 /nfs/dbraw/zinc/70/25/97/683702597.db2.gz JRAUYFDHTYGUFZ-APWZRJJASA-N 1 0 341.455 2.021 10 10 EECERO CN(C)c1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1F ZINC000895340704 684515720 /nfs/dbraw/zinc/51/57/20/684515720.db2.gz ARDBDAUOWVIGIE-HNNXBMFYSA-N 1 0 334.439 2.271 10 10 EECERO CCCCN(Cc1ccccc1O)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897683127 691742082 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2.192 10 10 EECERO Nc1nc(NCc2ccc(N3CCOCC3)cc2)c2c([nH+]1)CCCC2 ZINC000825627605 1198414923 /nfs/dbraw/zinc/41/49/23/1198414923.db2.gz NOFSDSRBYPXBNV-UHFFFAOYSA-N 1 0 339.443 2.386 10 10 EECERO CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Cl)ccc1O ZINC000866571245 1201550383 /nfs/dbraw/zinc/55/03/83/1201550383.db2.gz BQYLQSGESIHERG-GFCCVEGCSA-N 1 0 334.869 2.401 10 10 EECERO COc1ccc(C[NH2+]CC2(O)CCN(C(=O)C(C)C)CC2)cc1C ZINC001274494257 1205055467 /nfs/dbraw/zinc/05/54/67/1205055467.db2.gz MIKDPJGKBOQCBR-UHFFFAOYSA-N 1 0 334.460 2.103 10 10 EECERO C[C@@H]1OC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000926558847 1206227433 /nfs/dbraw/zinc/22/74/33/1206227433.db2.gz JXMVMEDSHDRMQL-WQGACYEGSA-N 1 0 326.387 2.314 10 10 EECERO Cn1nnnc1CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796344051 1213852759 /nfs/dbraw/zinc/85/27/59/1213852759.db2.gz GBTPUEORUBOECY-UHFFFAOYSA-N 1 0 348.454 2.105 10 10 EECERO COC[C@@]1(C(=O)OC)CCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000827488833 1248189699 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Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(Cl)c1 ZINC000840908657 1315433175 /nfs/dbraw/zinc/43/31/75/1315433175.db2.gz WCSAVRYCKGQBHC-NHYWBVRUSA-N 1 0 326.824 2.079 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)c1 ZINC000840976840 1315450204 /nfs/dbraw/zinc/45/02/04/1315450204.db2.gz GNTGFXZFBDSNQN-ZDUSSCGKSA-N 1 0 325.430 2.129 10 10 EECERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1ccc(O)c(O)c1 ZINC001142405088 1315594335 /nfs/dbraw/zinc/59/43/35/1315594335.db2.gz MEPZEVNUCHRADQ-UHFFFAOYSA-N 1 0 346.402 2.370 10 10 EECERO O=C(NCCCSc1nccs1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000841856205 1315624710 /nfs/dbraw/zinc/62/47/10/1315624710.db2.gz HAEYTYYNPZMUQV-BETUJISGSA-N 1 0 340.518 2.266 10 10 EECERO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@@]4(C)C3)cc2F)CC1 ZINC001261688884 1322154931 /nfs/dbraw/zinc/15/49/31/1322154931.db2.gz YIDCZJYWHJLRQL-VQIMIIECSA-N 1 0 333.451 2.046 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([NH2+]C/C=C/Cl)C2)cc1 ZINC001265461635 1323168297 /nfs/dbraw/zinc/16/82/97/1323168297.db2.gz UXRAJQZFLXDDKM-WQULGGARSA-N 1 0 335.795 2.406 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2n[nH]cc2F)C2CC2)cc1C ZINC001276657285 1324985388 /nfs/dbraw/zinc/98/53/88/1324985388.db2.gz XLAREMJOMQIVLY-OAHLLOKOSA-N 1 0 346.406 2.164 10 10 EECERO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2CC[N@@H+]2C)CCCC1 ZINC001289119497 1327996871 /nfs/dbraw/zinc/99/68/71/1327996871.db2.gz IXZQTIVXYYOWLL-CQSZACIVSA-N 1 0 341.455 2.349 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]([NH2+]CC2CC2)C2CC2)cc1 ZINC001317030563 1332050137 /nfs/dbraw/zinc/05/01/37/1332050137.db2.gz ARUHCEVQBDYRBY-HNNXBMFYSA-N 1 0 329.404 2.357 10 10 EECERO CCc1ncoc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317266326 1332158647 /nfs/dbraw/zinc/15/86/47/1332158647.db2.gz PUJQAUKOVCVFMB-ZDUSSCGKSA-N 1 0 331.416 2.462 10 10 EECERO COCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001320114371 1332831184 /nfs/dbraw/zinc/83/11/84/1332831184.db2.gz KSABTVPGMBQGJG-IAGOWNOFSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CCOC2)cc1C ZINC001321016033 1332999066 /nfs/dbraw/zinc/99/90/66/1332999066.db2.gz XCAIBIWVXOGEPA-REMYHPOOSA-N 1 0 332.444 2.192 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001331697508 1335059558 /nfs/dbraw/zinc/05/95/58/1335059558.db2.gz QHDSXADCJSIPJS-OAHLLOKOSA-N 1 0 348.487 2.253 10 10 EECERO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1(C)CC1 ZINC001349028202 1337592733 /nfs/dbraw/zinc/59/27/33/1337592733.db2.gz YWAFXIOPPBSWHL-OAHLLOKOSA-N 1 0 330.476 2.426 10 10 EECERO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351321153 1337808688 /nfs/dbraw/zinc/80/86/88/1337808688.db2.gz VKKZXGZESCTSDU-HUUCEWRRSA-N 1 0 333.476 2.429 10 10 EECERO Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)ccc1N1CCCCC1 ZINC001560231606 1342509265 /nfs/dbraw/zinc/50/92/65/1342509265.db2.gz WTSWPHDUVYSBFB-RTBURBONSA-N 1 0 332.488 2.408 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CCOCC2)cc1C ZINC001570584897 1343089113 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CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cc(Br)ccc1O ZINC000706698944 785602380 /nfs/dbraw/zinc/60/23/80/785602380.db2.gz AETXPYAMHOYOGY-OBJOEFQTSA-N 1 0 330.222 2.345 10 10 EECERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824884338 788351010 /nfs/dbraw/zinc/35/10/10/788351010.db2.gz XGSVAGYBVHYLMO-CQSZACIVSA-N 1 0 343.265 2.043 10 10 EECERO CCO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000922055256 798770736 /nfs/dbraw/zinc/77/07/36/798770736.db2.gz NYZZGZCLIMDCEO-YOEHRIQHSA-N 1 0 336.480 2.080 10 10 EECERO CCO[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000922055253 798770845 /nfs/dbraw/zinc/77/08/45/798770845.db2.gz NYZZGZCLIMDCEO-PBHICJAKSA-N 1 0 336.480 2.080 10 10 EECERO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000793042630 810112674 /nfs/dbraw/zinc/11/26/74/810112674.db2.gz HKBFUHZWNCOIRU-JENIJYKNSA-N 1 0 345.487 2.436 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1nccc(C)n1 ZINC001497377153 1102404980 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EECERO Cc1cccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1O ZINC000180073864 464235669 /nfs/dbraw/zinc/23/56/69/464235669.db2.gz YIBZRLWIJMCFQD-UHFFFAOYSA-N 1 0 345.487 2.077 10 10 EECERO C[NH+]1CCC(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000273160669 464706166 /nfs/dbraw/zinc/70/61/66/464706166.db2.gz BYHVQPUBTWZCSY-UHFFFAOYSA-N 1 0 349.450 2.010 10 10 EECERO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1O ZINC000184674890 465016484 /nfs/dbraw/zinc/01/64/84/465016484.db2.gz JVFGJBHAWJNQBS-UHFFFAOYSA-N 1 0 326.824 2.354 10 10 EECERO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000366494512 465764284 /nfs/dbraw/zinc/76/42/84/465764284.db2.gz ZEKSENMSMSSSPW-PXNSSMCTSA-N 1 0 346.471 2.293 10 10 EECERO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCN(c2cnccn2)CC1 ZINC000370042032 466764515 /nfs/dbraw/zinc/76/45/15/466764515.db2.gz HRKIMEADHYHFBH-UHFFFAOYSA-N 1 0 342.399 2.012 10 10 EECERO COCCn1c(C)c(C)c2cc(C(=O)N3CC4CC3(C[NH3+])C4)ccc21 ZINC000662875241 472286140 /nfs/dbraw/zinc/28/61/40/472286140.db2.gz HNDHPSWICQBRBS-UHFFFAOYSA-N 1 0 341.455 2.468 10 10 EECERO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(C(F)(F)F)c1 ZINC000280517890 490719109 /nfs/dbraw/zinc/71/91/09/490719109.db2.gz HJPPALUTSAVOGT-MRXNPFEDSA-N 1 0 341.377 2.483 10 10 EECERO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000756098101 577838415 /nfs/dbraw/zinc/83/84/15/577838415.db2.gz FHRKEVKKWUXWPM-ATNYBXOESA-N 1 0 335.467 2.479 10 10 EECERO Cc1cc(N(C)C)ccc1C[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000895341950 684518578 /nfs/dbraw/zinc/51/85/78/684518578.db2.gz FDVWMOZFTSSPAE-SFHVURJKSA-N 1 0 330.476 2.441 10 10 EECERO COC(=O)c1c(C[NH2+][C@H]2C[C@H](C(=O)OC)C2)c2cc(F)ccc2n1C ZINC000895349940 684531802 /nfs/dbraw/zinc/53/18/02/684531802.db2.gz KUNOYXRRMATBKD-UMSPYCQHSA-N 1 0 348.374 2.145 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ccn(C)n2)cc1C ZINC001485750173 1191931260 /nfs/dbraw/zinc/93/12/60/1191931260.db2.gz XHEVUXHDYKMZFL-OAHLLOKOSA-N 1 0 344.459 2.425 10 10 EECERO CCOc1cc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001266777286 1177408952 /nfs/dbraw/zinc/40/89/52/1177408952.db2.gz XJRLHNYPTUEBBL-UHFFFAOYSA-N 1 0 347.415 2.252 10 10 EECERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2CCOC2)C2CC2)cc1C ZINC001267849054 1180628085 /nfs/dbraw/zinc/62/80/85/1180628085.db2.gz LXUXCOPWLPQKJG-UZLBHIALSA-N 1 0 346.471 2.415 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2[nH]cnc2C)cc1C ZINC001482904884 1187830465 /nfs/dbraw/zinc/83/04/65/1187830465.db2.gz IBBNGWCWKAIVEZ-ZDUSSCGKSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)CC2)cc1 ZINC000872200485 1198083339 /nfs/dbraw/zinc/08/33/39/1198083339.db2.gz QWEIGYAJIVBDLG-UYAOXDASSA-N 1 0 348.487 2.166 10 10 EECERO COc1ccc(N2CCC([NH2+]CC(=O)NCc3ccco3)CC2)cc1 ZINC000128145703 1201350195 /nfs/dbraw/zinc/35/01/95/1201350195.db2.gz DATYAYAJLAFHNA-UHFFFAOYSA-N 1 0 343.427 2.163 10 10 EECERO CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(N(C)C)cc1 ZINC000866524680 1201540983 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EECERO FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850378007 1277204859 /nfs/dbraw/zinc/20/48/59/1277204859.db2.gz TTYXGRSFRHJLNE-SJORKVTESA-N 1 0 338.398 2.427 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]C3CCN([C@H]4CCOC4)CC3)C2)cc1 ZINC000850487825 1277244576 /nfs/dbraw/zinc/24/45/76/1277244576.db2.gz PKLQIWFXIOLYNA-MJGOQNOKSA-N 1 0 345.487 2.117 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1 ZINC000850563056 1277265836 /nfs/dbraw/zinc/26/58/36/1277265836.db2.gz RAUAGTWZKNMCFQ-KBPBESRZSA-N 1 0 333.432 2.342 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3[NH2+]CCCC3(C)C)C2)cc1 ZINC000851639151 1277696640 /nfs/dbraw/zinc/69/66/40/1277696640.db2.gz BVTBARFEEVHWJE-PBHICJAKSA-N 1 0 331.460 2.168 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000854302362 1292712012 /nfs/dbraw/zinc/71/20/12/1292712012.db2.gz ZPYSPSNDCJCVRL-DOTOQJQBSA-N 1 0 346.475 2.010 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N(C)CC[NH+]3CCCC3)C2)cc1 ZINC000854302282 1292712151 /nfs/dbraw/zinc/71/21/51/1292712151.db2.gz YRLUORFVQVLSND-MRXNPFEDSA-N 1 0 346.475 2.011 10 10 EECERO CN(C)c1cc(F)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1F ZINC000862384631 1295819057 /nfs/dbraw/zinc/81/90/57/1295819057.db2.gz FMPJPKPXPUKOEP-DXCKQFNASA-N 1 0 340.414 2.393 10 10 EECERO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840097348 1315293986 /nfs/dbraw/zinc/29/39/86/1315293986.db2.gz VTDLGAZPONMOBA-ZDUSSCGKSA-N 1 0 327.384 2.215 10 10 EECERO CCOc1ccc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)c(O)c1 ZINC000840977294 1315450486 /nfs/dbraw/zinc/45/04/86/1315450486.db2.gz JQRZTYDJRWQZGB-CYBMUJFWSA-N 1 0 325.430 2.129 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1F ZINC000841759467 1315609224 /nfs/dbraw/zinc/60/92/24/1315609224.db2.gz GCFIERMYUKJBAY-SFHVURJKSA-N 1 0 334.439 2.177 10 10 EECERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843433147 1315914139 /nfs/dbraw/zinc/91/41/39/1315914139.db2.gz UYFXGJAJBLNBOF-HNNXBMFYSA-N 1 0 347.356 2.392 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)c2occc2C)cc1C ZINC001278730864 1317885045 /nfs/dbraw/zinc/88/50/45/1317885045.db2.gz HRBMJDZPYRRBIF-INIZCTEOSA-N 1 0 346.427 2.128 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCOC2)cc1C ZINC001317576624 1332305547 /nfs/dbraw/zinc/30/55/47/1332305547.db2.gz OFVNSXQQCBNIRI-MRXNPFEDSA-N 1 0 334.460 2.368 10 10 EECERO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC001324848695 1333772732 /nfs/dbraw/zinc/77/27/32/1333772732.db2.gz GNSNWQNLJAREJS-QMAVJUDZSA-N 1 0 329.366 2.422 10 10 EECERO COCCC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001326162407 1334035613 /nfs/dbraw/zinc/03/56/13/1334035613.db2.gz JRPWTUPAFMKRMA-INIZCTEOSA-N 1 0 334.460 2.368 10 10 EECERO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cccc(O)c3O)C2)cc1 ZINC001558018221 1342462773 /nfs/dbraw/zinc/46/27/73/1342462773.db2.gz AUNYEOCVYBXSPS-OAHLLOKOSA-N 1 0 326.396 2.411 10 10 EECERO COC[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001565838595 1342567553 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C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@]2(C)C1 ZINC000913273814 788749213 /nfs/dbraw/zinc/74/92/13/788749213.db2.gz HJXGZLGKFORKEF-CALCHBBNSA-N 1 0 329.404 2.263 10 10 EECERO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCCO2)CC(F)(F)F ZINC000922242078 800012235 /nfs/dbraw/zinc/01/22/35/800012235.db2.gz BKYYFDXAVIVWQP-UHFFFAOYSA-N 1 0 337.363 2.078 10 10 EECERO OC1CCN(c2ccc(C[NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)cc2)CC1 ZINC000922718441 801726593 /nfs/dbraw/zinc/72/65/93/801726593.db2.gz WFPKFGXYSBQNMP-QKLQHJQFSA-N 1 0 328.456 2.328 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cnccn2)cc1C ZINC001480746267 1107041155 /nfs/dbraw/zinc/04/11/55/1107041155.db2.gz QMLYQSHOQWMCCH-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO CC[N@H+](C)[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001458718174 1109947020 /nfs/dbraw/zinc/94/70/20/1109947020.db2.gz KLWBIUKPPRESKT-IZPAUZPXSA-N 1 0 333.388 2.311 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001465889787 1110425438 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Cc1cccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1O ZINC000775717767 577443576 /nfs/dbraw/zinc/44/35/76/577443576.db2.gz JGXSALDDCHPSNV-QGZVFWFLSA-N 1 0 332.444 2.304 10 10 EECERO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000776224367 577454988 /nfs/dbraw/zinc/45/49/88/577454988.db2.gz SVGICXJGDDLBKR-ABAIWWIYSA-N 1 0 348.834 2.371 10 10 EECERO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756098106 577838360 /nfs/dbraw/zinc/83/83/60/577838360.db2.gz FHRKEVKKWUXWPM-OIPACUDHSA-N 1 0 335.467 2.479 10 10 EECERO COC[C@H]1CN(Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781907686 679290157 /nfs/dbraw/zinc/29/01/57/679290157.db2.gz DVUGQSCQJJZARC-GFCCVEGCSA-N 1 0 330.222 2.310 10 10 EECERO C[C@@H]1CC[C@H](C[NH2+]CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)O1 ZINC001267476413 1179112764 /nfs/dbraw/zinc/11/27/64/1179112764.db2.gz BQDFXWLRJAOSIA-IUODEOHRSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C3=CCOCC3)CC2)cc1C ZINC001670771185 1181075689 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COc1ccc(N2CC[C@H](CNC(=O)CCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000870913790 1200949449 /nfs/dbraw/zinc/94/94/49/1200949449.db2.gz BGYBKTRSMYDLSC-LSWWBPAMSA-N 1 0 343.471 2.170 10 10 EECERO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc2c(cc1O)CCCC2 ZINC000866522036 1201539956 /nfs/dbraw/zinc/53/99/56/1201539956.db2.gz SBXVJZCIRCNCOJ-YJYMSZOUSA-N 1 0 346.427 2.143 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(=O)[nH]c2)cc1C ZINC001275428361 1205356080 /nfs/dbraw/zinc/35/60/80/1205356080.db2.gz RESQRVDUCURZHB-ZDUSSCGKSA-N 1 0 329.400 2.012 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000926680862 1206237022 /nfs/dbraw/zinc/23/70/22/1206237022.db2.gz STKXWAIJHFVIGY-YJBOKZPZSA-N 1 0 332.444 2.202 10 10 EECERO Oc1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCOCC1)C1CCCC1 ZINC000929636501 1206492015 /nfs/dbraw/zinc/49/20/15/1206492015.db2.gz SWHVXBMOAUBZRN-GOSISDBHSA-N 1 0 335.444 2.039 10 10 EECERO COc1ccc2c(c1)CCCN2Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903901913 1242407322 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10 10 EECERO CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000859698348 1294607175 /nfs/dbraw/zinc/60/71/75/1294607175.db2.gz UMLXPSPOONNYSE-UHFFFAOYSA-N 1 0 332.448 2.378 10 10 EECERO COC(=O)Cc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000862446481 1295849318 /nfs/dbraw/zinc/84/93/18/1295849318.db2.gz FBGNEACAIMLBBS-UHFFFAOYSA-N 1 0 329.352 2.126 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c(Cl)c1 ZINC000840947445 1315443224 /nfs/dbraw/zinc/44/32/24/1315443224.db2.gz TWCPECWAEKBAKF-LBPRGKRZSA-N 1 0 346.880 2.258 10 10 EECERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841975974 1315646134 /nfs/dbraw/zinc/64/61/34/1315646134.db2.gz JYQKDRJONHKUGV-KDOFPFPSSA-N 1 0 330.476 2.425 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2nccc2C)cc1C ZINC001282194050 1325647767 /nfs/dbraw/zinc/64/77/67/1325647767.db2.gz UJCBIITXNCSKEN-HZPDHXFCSA-N 1 0 344.459 2.192 10 10 EECERO CC[C@H](CNC(=O)Cn1cc(C)cn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318501741 1332552613 /nfs/dbraw/zinc/55/26/13/1332552613.db2.gz HZKORXQQSVVBIS-QGZVFWFLSA-N 1 0 344.459 2.193 10 10 EECERO CCc1n[nH]cc1C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321134370 1333026985 /nfs/dbraw/zinc/02/69/85/1333026985.db2.gz CMSGYQSQOGTTPO-AATRIKPKSA-N 1 0 342.443 2.365 10 10 EECERO COCC1(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001329085272 1334582355 /nfs/dbraw/zinc/58/23/55/1334582355.db2.gz JDCTUVPZQCFSMS-GJZGRUSLSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccnnc2)cc1C ZINC001331563470 1335037397 /nfs/dbraw/zinc/03/73/97/1335037397.db2.gz FZLQFPVXBVUWHC-AWEZNQCLSA-N 1 0 328.416 2.044 10 10 EECERO Fc1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc(F)c1N1CCOCC1 ZINC001333583098 1336079665 /nfs/dbraw/zinc/07/96/65/1336079665.db2.gz QBIQLDCZMGLCHB-YOEHRIQHSA-N 1 0 338.398 2.459 10 10 EECERO Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001669485794 1356166207 /nfs/dbraw/zinc/16/62/07/1356166207.db2.gz PUNNPCAGSSODKM-SNVBAGLBSA-N 1 0 344.375 2.054 10 10 EECERO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1 ZINC000921452127 773382665 /nfs/dbraw/zinc/38/26/65/773382665.db2.gz FCYKELFMMZQKOA-UHFFFAOYSA-N 1 0 338.404 2.071 10 10 EECERO COCCN1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1=O ZINC000816589328 784123456 /nfs/dbraw/zinc/12/34/56/784123456.db2.gz USGFYHGJFGIEDB-UHFFFAOYSA-N 1 0 328.412 2.226 10 10 EECERO CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818341940 785246270 /nfs/dbraw/zinc/24/62/70/785246270.db2.gz JICXNLOPRHGXOB-HZPDHXFCSA-N 1 0 329.448 2.181 10 10 EECERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000825130286 788450281 /nfs/dbraw/zinc/45/02/81/788450281.db2.gz RQPYLIXGRRBZJZ-MFKMUULPSA-N 1 0 330.222 2.126 10 10 EECERO COc1cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c(O)c(C(C)(C)C)c1 ZINC000922992894 788512273 /nfs/dbraw/zinc/51/22/73/788512273.db2.gz UMOVLNRJGMOSKA-ZDUSSCGKSA-N 1 0 344.459 2.474 10 10 EECERO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1F ZINC000922996778 788523734 /nfs/dbraw/zinc/52/37/34/788523734.db2.gz ZTQJGIZHKUNCHI-AWEZNQCLSA-N 1 0 331.439 2.448 10 10 EECERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)C1 ZINC000825422019 788628181 /nfs/dbraw/zinc/62/81/81/788628181.db2.gz JJLVNJQKYWNWIO-AOIWGVFYSA-N 1 0 343.471 2.045 10 10 EECERO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000844175376 788887207 /nfs/dbraw/zinc/88/72/07/788887207.db2.gz GAIOKFMTTVYDLN-MAUKXSAKSA-N 1 0 345.487 2.479 10 10 EECERO COc1cc(O)c(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1OC ZINC000846124121 790058563 /nfs/dbraw/zinc/05/85/63/790058563.db2.gz ZDCFSTGFCCVZKW-CQSZACIVSA-N 1 0 344.411 2.275 10 10 EECERO COc1cc(Br)cc(C[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000788975732 807801231 /nfs/dbraw/zinc/80/12/31/807801231.db2.gz NYKFARMCWOKPKN-VIFPVBQESA-N 1 0 344.127 2.176 10 10 EECERO C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000793091783 810134828 /nfs/dbraw/zinc/13/48/28/810134828.db2.gz GJDLPPGEYJQNPR-ZDUSSCGKSA-N 1 0 345.409 2.270 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)cc1 ZINC001473861706 1110582856 /nfs/dbraw/zinc/58/28/56/1110582856.db2.gz IJPRZIWJGKJLFR-MAUKXSAKSA-N 1 0 333.501 2.054 10 10 EECERO Cc1nc(CN2CCN(Cc3cc(Cl)cc(C)c3O)CC2)no1 ZINC000180153685 464253265 /nfs/dbraw/zinc/25/32/65/464253265.db2.gz KRVMTLZYTZSKJG-UHFFFAOYSA-N 1 0 336.823 2.363 10 10 EECERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000299462617 465758671 /nfs/dbraw/zinc/75/86/71/465758671.db2.gz AFBWRARTTDOMJC-KRWDZBQOSA-N 1 0 327.428 2.364 10 10 EECERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c(O)c1C ZINC000368211179 466588429 /nfs/dbraw/zinc/58/84/29/466588429.db2.gz CEUVYVYPZORWEY-WMLDXEAASA-N 1 0 332.444 2.440 10 10 EECERO CCNC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000373137628 466705131 /nfs/dbraw/zinc/70/51/31/466705131.db2.gz GETBVFSSACSCLO-INIZCTEOSA-N 1 0 346.475 2.057 10 10 EECERO COc1ccc(N2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000583623910 468730115 /nfs/dbraw/zinc/73/01/15/468730115.db2.gz XLDGEEFYNUMDLE-HNNXBMFYSA-N 1 0 349.450 2.263 10 10 EECERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773306997 577331794 /nfs/dbraw/zinc/33/17/94/577331794.db2.gz NBXNRWIIXHPTNQ-MAUKXSAKSA-N 1 0 348.491 2.224 10 10 EECERO COC(=O)/C=C\c1ccc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000768525685 577557723 /nfs/dbraw/zinc/55/77/23/577557723.db2.gz JPKKRICCMXZDHZ-BZGOVLQXSA-N 1 0 333.388 2.310 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000255891614 681811033 /nfs/dbraw/zinc/81/10/33/681811033.db2.gz PHOZVLUFLDCFBI-VSKVDJIOSA-N 1 0 331.372 2.065 10 10 EECERO CC[C@H](CNC(=O)Cn1cncc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267811668 1180565268 /nfs/dbraw/zinc/56/52/68/1180565268.db2.gz MFCQOSDPUZMKCT-QGZVFWFLSA-N 1 0 344.459 2.193 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3nn(C)cc3C)CC2)cc1C ZINC001670781654 1181703551 /nfs/dbraw/zinc/70/35/51/1181703551.db2.gz MAZNCLXDGVBXSY-UHFFFAOYSA-N 1 0 342.443 2.098 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cn2nccc2C)cc1C ZINC001484999765 1191607937 /nfs/dbraw/zinc/60/79/37/1191607937.db2.gz YYHPQWDFQNIKEB-HNNXBMFYSA-N 1 0 344.459 2.193 10 10 EECERO CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486380496 1193891924 /nfs/dbraw/zinc/89/19/24/1193891924.db2.gz IYSUCPSYNVOJAN-CYBMUJFWSA-N 1 0 349.435 2.012 10 10 EECERO CO[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000122706243 1200204758 /nfs/dbraw/zinc/20/47/58/1200204758.db2.gz IYVYSKHETBTYLN-MRXNPFEDSA-N 1 0 345.487 2.260 10 10 EECERO CN(C)c1ccc(CNC(=O)CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705591 1201585403 /nfs/dbraw/zinc/58/54/03/1201585403.db2.gz CZUDAXGEQSTNNZ-FQEVSTJZSA-N 1 0 346.519 2.066 10 10 EECERO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868022206 1201728384 /nfs/dbraw/zinc/72/83/84/1201728384.db2.gz CCFPKRYSPIHPGG-ZNMIVQPWSA-N 1 0 335.448 2.252 10 10 EECERO CC(=O)CCC(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851980 1201774388 /nfs/dbraw/zinc/77/43/88/1201774388.db2.gz FIHCLWZQEZPHHM-UHFFFAOYSA-N 1 0 345.487 2.450 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC[N@@H+]1C ZINC000869228586 1201969262 /nfs/dbraw/zinc/96/92/62/1201969262.db2.gz LIEVOGFBZWYSSD-FHLIZLRMSA-N 1 0 331.460 2.120 10 10 EECERO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1ccc(O)c(O)c1 ZINC001137213507 1202353182 /nfs/dbraw/zinc/35/31/82/1202353182.db2.gz GCTXGWGWYPZPAI-UHFFFAOYSA-N 1 0 334.441 2.292 10 10 EECERO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CO[C@H](C)[C@@H]3C)CC2)cc1 ZINC000924579547 1205999176 /nfs/dbraw/zinc/99/91/76/1205999176.db2.gz KUOQGRVEQZLUGM-SQGPQFPESA-N 1 0 347.503 2.220 10 10 EECERO C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1[O-] ZINC000925856405 1206161603 /nfs/dbraw/zinc/16/16/03/1206161603.db2.gz NRZMXERZIFSYKL-PWSUYJOCSA-N 1 0 340.370 2.006 10 10 EECERO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000932100021 1207536021 /nfs/dbraw/zinc/53/60/21/1207536021.db2.gz VGFOCAZYQMBELA-NVXWUHKLSA-N 1 0 332.444 2.154 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CC=CC[C@H]1C)cc2=O ZINC000934624973 1207992723 /nfs/dbraw/zinc/99/27/23/1207992723.db2.gz QQJGPSGKSNGXMJ-BXUZGUMPSA-N 1 0 330.388 2.056 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C(N)=O)CC[C@H]3C)cc2)CC1 ZINC000827680402 1248636857 /nfs/dbraw/zinc/63/68/57/1248636857.db2.gz SAXKRMAXZBJZOF-NVXWUHKLSA-N 1 0 345.487 2.388 10 10 EECERO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850519842 1277258034 /nfs/dbraw/zinc/25/80/34/1277258034.db2.gz PULSBDYUHPEVEI-SNVBAGLBSA-N 1 0 325.352 2.328 10 10 EECERO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851654908 1277702548 /nfs/dbraw/zinc/70/25/48/1277702548.db2.gz JMACSGRSUNLGKL-MAUKXSAKSA-N 1 0 348.491 2.257 10 10 EECERO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC2([NH3+])CC2)cc1 ZINC000852882601 1292224291 /nfs/dbraw/zinc/22/42/91/1292224291.db2.gz MTFROXUYCQIIKZ-QGZVFWFLSA-N 1 0 331.460 2.142 10 10 EECERO OCCN1CCCC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000858169871 1294030820 /nfs/dbraw/zinc/03/08/20/1294030820.db2.gz FXAWGDCXAQOMEU-LBPRGKRZSA-N 1 0 343.265 2.091 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(Cl)c1 ZINC000840908659 1315432887 /nfs/dbraw/zinc/43/28/87/1315432887.db2.gz WCSAVRYCKGQBHC-XHDPSFHLSA-N 1 0 326.824 2.079 10 10 EECERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707526 1315601150 /nfs/dbraw/zinc/60/11/50/1315601150.db2.gz VDKRSZXOCHASJL-RHSMWYFYSA-N 1 0 348.516 2.037 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccc(C)nn2)cc1C ZINC001492022809 1330448808 /nfs/dbraw/zinc/44/88/08/1330448808.db2.gz ZUDXYEVIDUENPW-CQSZACIVSA-N 1 0 342.443 2.400 10 10 EECERO CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)C2CCCCC2)[NH+](C)C)cc1 ZINC001304769695 1331394916 /nfs/dbraw/zinc/39/49/16/1331394916.db2.gz XSBGPEPLDCAQBF-OALUTQOASA-N 1 0 347.503 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cnn(C)c2)C2CC2)cc1C ZINC001317019983 1332046860 /nfs/dbraw/zinc/04/68/60/1332046860.db2.gz WCZDJAUHSSAMSJ-KRWDZBQOSA-N 1 0 342.443 2.035 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccc(C)nn2)cc1C ZINC001319185967 1332662221 /nfs/dbraw/zinc/66/22/21/1332662221.db2.gz OOGOZZPVQPQCNT-ZDUSSCGKSA-N 1 0 342.443 2.258 10 10 EECERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327953101 1334369419 /nfs/dbraw/zinc/36/94/19/1334369419.db2.gz UFXNDVAMIOQCIM-FUHWJXTLSA-N 1 0 335.467 2.170 10 10 EECERO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848531370 1338715152 /nfs/dbraw/zinc/71/51/52/1338715152.db2.gz QHWDZGWRKSQICI-XPTSAGLGSA-N 1 0 348.237 2.211 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CCC(O)CC2)cc1C ZINC001669280764 1356140004 /nfs/dbraw/zinc/14/00/04/1356140004.db2.gz MYOPHELBCSXAPT-ODIFPOPNSA-N 1 0 334.460 2.149 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@](C)(O)C3CC3)CC2)cc1C ZINC001699649175 1405429254 /nfs/dbraw/zinc/42/92/54/1405429254.db2.gz RFPOLNFVBZXNDM-LJQANCHMSA-N 1 0 346.471 2.293 10 10 EECERO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3ccc(F)cn3)C2)cc1 ZINC000819381519 785542098 /nfs/dbraw/zinc/54/20/98/785542098.db2.gz XXWFZHMHEXIQLI-IFXJQAMLSA-N 1 0 345.418 2.379 10 10 EECERO OC[C@@]1(F)C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1c1ccccc1 ZINC000824635539 788249683 /nfs/dbraw/zinc/24/96/83/788249683.db2.gz HOWBGZIEQCXQBZ-KXBFYZLASA-N 1 0 345.370 2.421 10 10 EECERO [NH3+]CC1(CCNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000846186068 790082567 /nfs/dbraw/zinc/08/25/67/790082567.db2.gz ZFSNRAUOKBDJMU-UHFFFAOYSA-N 1 0 342.237 2.083 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC000916226003 797557219 /nfs/dbraw/zinc/55/72/19/797557219.db2.gz MOGGFPQDPXJKLG-RDTXWAMCSA-N 1 0 346.475 2.056 10 10 EECERO CCCOc1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)cc1C ZINC000922636304 801570632 /nfs/dbraw/zinc/57/06/32/801570632.db2.gz LNIVGGVLIMGENO-UHFFFAOYSA-N 1 0 328.478 2.201 10 10 EECERO CC[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000788563070 807578411 /nfs/dbraw/zinc/57/84/11/807578411.db2.gz KIBLAJFUWCVLDS-DOTOQJQBSA-N 1 0 329.448 2.244 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001497046944 1101886917 /nfs/dbraw/zinc/88/69/17/1101886917.db2.gz PQURJGDHNLIDAQ-IRXDYDNUSA-N 1 0 348.487 2.397 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cnc(C)cn1 ZINC001497348008 1102365634 /nfs/dbraw/zinc/36/56/34/1102365634.db2.gz HPSSLQPVICLPBG-UHFFFAOYSA-N 1 0 342.443 2.354 10 10 EECERO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1=O ZINC000191638268 237265886 /nfs/dbraw/zinc/26/58/86/237265886.db2.gz YLXSNNHPVYHOGD-OAHLLOKOSA-N 1 0 328.416 2.202 10 10 EECERO C[N@H+](CCc1nccs1)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097135217 463332494 /nfs/dbraw/zinc/33/24/94/463332494.db2.gz UXJXVQIDVWJSCK-UHFFFAOYSA-N 1 0 332.381 2.335 10 10 EECERO COc1cccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000277755046 463930770 /nfs/dbraw/zinc/93/07/70/463930770.db2.gz RINVJJFGPLFVHV-HNNXBMFYSA-N 1 0 330.432 2.201 10 10 EECERO COc1cccc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1O ZINC000194924891 463960388 /nfs/dbraw/zinc/96/03/88/463960388.db2.gz KIGBEGOJBKVKRC-ZDUSSCGKSA-N 1 0 332.404 2.229 10 10 EECERO Nc1ccc(CC(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000186610589 464032734 /nfs/dbraw/zinc/03/27/34/464032734.db2.gz ZDNJUZYNPIAUQC-LJQANCHMSA-N 1 0 338.455 2.377 10 10 EECERO CCOc1cccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190159159 464604114 /nfs/dbraw/zinc/60/41/14/464604114.db2.gz JQPWPSZZUKXUKK-UONOGXRCSA-N 1 0 333.388 2.444 10 10 EECERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(O)c1O ZINC000248708903 464790968 /nfs/dbraw/zinc/79/09/68/464790968.db2.gz BMNLILFMLWPONB-CZUORRHYSA-N 1 0 341.411 2.133 10 10 EECERO COC(=O)/C=C/c1ccc(N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000268119578 464952553 /nfs/dbraw/zinc/95/25/53/464952553.db2.gz HGNYYEFMJGKTLM-KGXGESDWSA-N 1 0 333.388 2.311 10 10 EECERO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000276537685 464970102 /nfs/dbraw/zinc/97/01/02/464970102.db2.gz XIAHOEMSVBAKRO-MRXNPFEDSA-N 1 0 332.448 2.033 10 10 EECERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(OCC)c1O ZINC000373587489 466857560 /nfs/dbraw/zinc/85/75/60/466857560.db2.gz XNTDZYRGKYHWSQ-CABCVRRESA-N 1 0 337.416 2.333 10 10 EECERO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]([NH3+])[C@@H]2C)CCCC1 ZINC000653141131 471505327 /nfs/dbraw/zinc/50/53/27/471505327.db2.gz XKSRXFKURYBSHY-GUYCJALGSA-N 1 0 341.455 2.477 10 10 EECERO CCN(CC)c1ccc(CNC(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000729596532 576667684 /nfs/dbraw/zinc/66/76/84/576667684.db2.gz CVXXTZQSXNJOHE-UHFFFAOYSA-N 1 0 341.459 2.261 10 10 EECERO CC[N@@H+]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000754079336 577799807 /nfs/dbraw/zinc/79/98/07/577799807.db2.gz GBASOEQLWCWBNM-FWPCIQOSSA-N 1 0 333.388 2.311 10 10 EECERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656930 577861882 /nfs/dbraw/zinc/86/18/82/577861882.db2.gz PPMANOJFNXDIDZ-GDBMZVCRSA-N 1 0 342.443 2.276 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000255891613 681811207 /nfs/dbraw/zinc/81/12/07/681811207.db2.gz PHOZVLUFLDCFBI-BRLPQQTGSA-N 1 0 331.372 2.065 10 10 EECERO CC[C@H](CNC(=O)c1cc(C)ncn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481806353 1182719379 /nfs/dbraw/zinc/71/93/79/1182719379.db2.gz UWIVTIXVFQUGGO-MRXNPFEDSA-N 1 0 342.443 2.400 10 10 EECERO CC[C@@H](F)C[NH2+]C/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268632790 1183560721 /nfs/dbraw/zinc/56/07/21/1183560721.db2.gz KJOYZRQAJYHVBE-VBFCFCCWSA-N 1 0 335.383 2.473 10 10 EECERO CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268632788 1183560832 /nfs/dbraw/zinc/56/08/32/1183560832.db2.gz KJOYZRQAJYHVBE-BZEOHAMZSA-N 1 0 335.383 2.473 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2C=CCCC2)cc1C ZINC001482743331 1187701054 /nfs/dbraw/zinc/70/10/54/1187701054.db2.gz ZOOKOSTXTCELDN-WMZOPIPTSA-N 1 0 346.471 2.317 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2cc(C)n[nH]2)cc1C ZINC001482989694 1187963747 /nfs/dbraw/zinc/96/37/47/1187963747.db2.gz OHPMGIONSKRCTC-SNAWJCMRSA-N 1 0 328.416 2.111 10 10 EECERO CC(C)C[C@H](C[NH3+])NC(=O)NCc1cc(Br)ccc1O ZINC000841953456 1188207117 /nfs/dbraw/zinc/20/71/17/1188207117.db2.gz INGMWJQMAGZJML-GFCCVEGCSA-N 1 0 344.253 2.327 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001272503081 1190855193 /nfs/dbraw/zinc/85/51/93/1190855193.db2.gz APHASVMUSKORIY-INIZCTEOSA-N 1 0 334.460 2.007 10 10 EECERO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1N(C)C ZINC000815014519 1197828997 /nfs/dbraw/zinc/82/89/97/1197828997.db2.gz QTUAZPXTJBNSCC-SFHVURJKSA-N 1 0 345.487 2.132 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209231 1201465427 /nfs/dbraw/zinc/46/54/27/1201465427.db2.gz ZRQXZPVOVIWWMJ-UNCXAERMSA-N 1 0 345.399 2.311 10 10 EECERO C[C@@H]1C[C@H]([NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c2c1c(F)ccc2O ZINC000866629805 1201563998 /nfs/dbraw/zinc/56/39/98/1201563998.db2.gz RGZSKVMWQGWMED-RNCFNFMXSA-N 1 0 345.374 2.438 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)c3cncc4[nH]ccc43)cc2)CC1 ZINC000881849062 1201773498 /nfs/dbraw/zinc/77/34/98/1201773498.db2.gz MYTKAKSXIPIRHK-UHFFFAOYSA-N 1 0 349.438 2.245 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCc2ncccn2)cc1C ZINC001274962436 1205217739 /nfs/dbraw/zinc/21/77/39/1205217739.db2.gz AEFUBKSWPAICIB-OAHLLOKOSA-N 1 0 342.443 2.021 10 10 EECERO C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000925817624 1206157189 /nfs/dbraw/zinc/15/71/89/1206157189.db2.gz UDFCZLVWKDBGSD-LLVKDONJSA-N 1 0 331.382 2.485 10 10 EECERO COC1(OC)CC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558360 1206227360 /nfs/dbraw/zinc/22/73/60/1206227360.db2.gz FFAIXVDGIGEIKP-OAHLLOKOSA-N 1 0 342.386 2.043 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)OC(C)(C)C2)c1 ZINC000930217694 1206542374 /nfs/dbraw/zinc/54/23/74/1206542374.db2.gz ZIRZCJLQNZSAKM-CHWSQXEVSA-N 1 0 336.432 2.077 10 10 EECERO COc1ccc(N2CCN(Cc3cc(C)nnc3C)CC2)c(OC)c1 ZINC000931531011 1207406740 /nfs/dbraw/zinc/40/67/40/1207406740.db2.gz VXSGLGIFJHUAGP-UHFFFAOYSA-N 1 0 342.443 2.433 10 10 EECERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000800541683 1234289167 /nfs/dbraw/zinc/28/91/67/1234289167.db2.gz QICCGSIZPYPJQZ-BXUZGUMPSA-N 1 0 346.880 2.162 10 10 EECERO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801595117 1235881895 /nfs/dbraw/zinc/88/18/95/1235881895.db2.gz IHZWCZUBCXJULH-OAHLLOKOSA-N 1 0 340.489 2.276 10 10 EECERO C[C@@H]([NH3+])CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827365371 1247957207 /nfs/dbraw/zinc/95/72/07/1247957207.db2.gz QJGGGNNZIYZPCO-MCIONIFRSA-N 1 0 337.439 2.183 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](C[NH2+]CCF)C2)cc1 ZINC001491191898 1258758392 /nfs/dbraw/zinc/75/83/92/1258758392.db2.gz WRSAEUODTGVLMC-GFCCVEGCSA-N 1 0 335.383 2.260 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001491529323 1259179692 /nfs/dbraw/zinc/17/96/92/1259179692.db2.gz DDXFVPJGHFOREB-PCODUJHASA-N 1 0 346.471 2.413 10 10 EECERO COc1cc(C[NH2+][C@H](CO)c2ccnn2C)c(O)c(C(C)(C)C)c1 ZINC000850325242 1277171869 /nfs/dbraw/zinc/17/18/69/1277171869.db2.gz YGRBQEHUUQDOIU-OAHLLOKOSA-N 1 0 333.432 2.255 10 10 EECERO CN(C)c1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1F ZINC000850348559 1277191768 /nfs/dbraw/zinc/19/17/68/1277191768.db2.gz OROUFLJVIZXYMQ-OAQYLSRUSA-N 1 0 326.359 2.292 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+]C3CCC(NC(C)=O)CC3)C2)cc1 ZINC000850487615 1277244566 /nfs/dbraw/zinc/24/45/66/1277244566.db2.gz IKZXETILYLDHDJ-JCYILVPMSA-N 1 0 331.460 2.311 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850519097 1277258145 /nfs/dbraw/zinc/25/81/45/1277258145.db2.gz KWETULBJFJEBLY-VIFPVBQESA-N 1 0 341.351 2.029 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1F ZINC000851657138 1277704158 /nfs/dbraw/zinc/70/41/58/1277704158.db2.gz WGGWQBNEHMWTBR-UKRRQHHQSA-N 1 0 340.418 2.253 10 10 EECERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1sccc1C(N)=O ZINC001197004957 1284397806 /nfs/dbraw/zinc/39/78/06/1284397806.db2.gz WNKHIRITSCARGC-NXEZZACHSA-N 1 0 333.413 2.230 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C2)cc1 ZINC000854299160 1292710600 /nfs/dbraw/zinc/71/06/00/1292710600.db2.gz FDWXKOAKAASLAN-INIZCTEOSA-N 1 0 348.491 2.256 10 10 EECERO C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C[NH2+]1 ZINC000861685456 1295505138 /nfs/dbraw/zinc/50/51/38/1295505138.db2.gz ODYUOSULHQQDNR-PVAVHDDUSA-N 1 0 347.459 2.223 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCOCCC[NH3+] ZINC000861692094 1295508338 /nfs/dbraw/zinc/50/83/38/1295508338.db2.gz WFEPZEYAKJBJEW-UHFFFAOYSA-N 1 0 336.480 2.038 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C3=COCCC3)CC2)cc1C ZINC001277014810 1300835810 /nfs/dbraw/zinc/83/58/10/1300835810.db2.gz ZKYJVXZNTDJLOH-UHFFFAOYSA-N 1 0 330.428 2.436 10 10 EECERO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000840185591 1315320285 /nfs/dbraw/zinc/32/02/85/1315320285.db2.gz HANBOASOCFVTKX-ZDUSSCGKSA-N 1 0 325.430 2.047 10 10 EECERO COc1cccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1O ZINC000841961857 1315645106 /nfs/dbraw/zinc/64/51/06/1315645106.db2.gz HZJQQGBZSKMTNO-GFCCVEGCSA-N 1 0 329.400 2.420 10 10 EECERO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842003173 1315650572 /nfs/dbraw/zinc/65/05/72/1315650572.db2.gz INSCCOKFJUIGAQ-OAHLLOKOSA-N 1 0 339.386 2.067 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)C[C@H]2CCOC2)C2CC2)cc1C ZINC001265370256 1323103345 /nfs/dbraw/zinc/10/33/45/1323103345.db2.gz NIDDQXIWKQHOLZ-SJLPKXTDSA-N 1 0 346.471 2.415 10 10 EECERO C[NH+]1CCN(c2ccc(C[NH2+]C3(CC(=O)[O-])CCCC3)cc2)CC1 ZINC000901686222 1331521050 /nfs/dbraw/zinc/52/10/50/1331521050.db2.gz ARPRECGRBLUVNM-UHFFFAOYSA-N 1 0 331.460 2.316 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC=CCC2)cc1C ZINC001320261398 1332853683 /nfs/dbraw/zinc/85/36/83/1332853683.db2.gz XGHSSLDRWWODLK-FUHWJXTLSA-N 1 0 346.471 2.317 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccnnc1C ZINC001320782411 1332952208 /nfs/dbraw/zinc/95/22/08/1332952208.db2.gz QOONBBKDHPYJEN-UHFFFAOYSA-N 1 0 342.443 2.354 10 10 EECERO C/C=C(\C)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001327553833 1334313771 /nfs/dbraw/zinc/31/37/71/1334313771.db2.gz DUTTWULKHABUNZ-FQDIRGPQSA-N 1 0 346.471 2.413 10 10 EECERO COC(=O)c1c(C[NH2+]CC2(C(=O)OC)CC2)c2cc(F)ccc2n1C ZINC001331547182 1335034905 /nfs/dbraw/zinc/03/49/05/1335034905.db2.gz GZZQQYRMGGBJKT-UHFFFAOYSA-N 1 0 348.374 2.147 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC001332686254 1335882651 /nfs/dbraw/zinc/88/26/51/1335882651.db2.gz TUIXDVXZHGSWAJ-MNEFBYGVSA-N 1 0 332.444 2.011 10 10 EECERO CCCCN(Cc1ccccc1O)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908045898 785046923 /nfs/dbraw/zinc/04/69/23/785046923.db2.gz UMGRKHAYRQQPSD-UHFFFAOYSA-N 1 0 333.476 2.014 10 10 EECERO Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c1O ZINC000824896975 788339225 /nfs/dbraw/zinc/33/92/25/788339225.db2.gz IWIDMVJQEUAIEU-UHFFFAOYSA-N 1 0 347.864 2.037 10 10 EECERO O=C1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CN1CC1CC1 ZINC000716795656 796454967 /nfs/dbraw/zinc/45/49/67/796454967.db2.gz VLJCQCWPEANZBS-CYBMUJFWSA-N 1 0 339.233 2.255 10 10 EECERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000185324580 463801616 /nfs/dbraw/zinc/80/16/16/463801616.db2.gz YHXCFIVDOSYQHL-GOSISDBHSA-N 1 0 335.492 2.050 10 10 EECERO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1 ZINC000278229523 463957649 /nfs/dbraw/zinc/95/76/49/463957649.db2.gz MOGSSKGQTPZUMS-TZMCWYRMSA-N 1 0 337.420 2.471 10 10 EECERO CN(C(=O)c1cccc(O)c1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279297883 464085411 /nfs/dbraw/zinc/08/54/11/464085411.db2.gz NCMMTEXEEGDAHO-HNNXBMFYSA-N 1 0 326.396 2.444 10 10 EECERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC000187935594 464175989 /nfs/dbraw/zinc/17/59/89/464175989.db2.gz NAWDNOJJMXHMJP-RBUKOAKNSA-N 1 0 345.487 2.449 10 10 EECERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1O ZINC000271772749 464379870 /nfs/dbraw/zinc/37/98/70/464379870.db2.gz FQKASRSAJOOVER-LBPRGKRZSA-N 1 0 346.880 2.115 10 10 EECERO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000295371066 464806391 /nfs/dbraw/zinc/80/63/91/464806391.db2.gz JXICIWIQLXNJCJ-HOTGVXAUSA-N 1 0 338.835 2.153 10 10 EECERO Cc1cc(Cl)cc(C[NH2+]CC2(OCCO)CCOCC2)c1O ZINC000282820043 464960490 /nfs/dbraw/zinc/96/04/90/464960490.db2.gz UAEBKPJFQKSRNN-UHFFFAOYSA-N 1 0 329.824 2.002 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000749381007 577975416 /nfs/dbraw/zinc/97/54/16/577975416.db2.gz WOJRVAAJDCEWMM-UHFFFAOYSA-N 1 0 347.503 2.386 10 10 EECERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@H]21 ZINC000899177357 693647671 /nfs/dbraw/zinc/64/76/71/693647671.db2.gz BBOGNGGUYXKJED-CMPLNLGQSA-N 1 0 332.425 2.479 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ncc[nH]2)cc1C ZINC001485721340 1191909187 /nfs/dbraw/zinc/90/91/87/1191909187.db2.gz MCBJMGGTISIJMV-AWEZNQCLSA-N 1 0 330.432 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cc(C)n[nH]2)C2CC2)cc1C ZINC001670449442 1176795796 /nfs/dbraw/zinc/79/57/96/1176795796.db2.gz DXWYEEVYGAWERM-KRWDZBQOSA-N 1 0 342.443 2.333 10 10 EECERO CC(C)[N@@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@H](C)O ZINC001481357319 1181115207 /nfs/dbraw/zinc/11/52/07/1181115207.db2.gz AEHRYIDOAQSUIQ-ZDUSSCGKSA-N 1 0 349.435 2.060 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cncnc3C)CC2)cc1C ZINC001269379384 1184219584 /nfs/dbraw/zinc/21/95/84/1184219584.db2.gz IXIRDFWWXVYGJR-UHFFFAOYSA-N 1 0 340.427 2.154 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cnsn2)C(C)C)cc1C ZINC001271814771 1186514943 /nfs/dbraw/zinc/51/49/43/1186514943.db2.gz JQIKYTAPEDGTAO-CQSZACIVSA-N 1 0 348.472 2.399 10 10 EECERO C[C@H](CCCC[NH3+])NC(=O)NCc1cc(Br)ccc1O ZINC000841998029 1188216708 /nfs/dbraw/zinc/21/67/08/1188216708.db2.gz VVCSFMVIBUJLAG-SNVBAGLBSA-N 1 0 344.253 2.471 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2c(C)cnn2C)cc1C ZINC001485180444 1191678943 /nfs/dbraw/zinc/67/89/43/1191678943.db2.gz DBXOWLHIZKKRBX-HUUCEWRRSA-N 1 0 344.459 2.342 10 10 EECERO CC(=O)c1cc(F)cc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000872147172 1198054791 /nfs/dbraw/zinc/05/47/91/1198054791.db2.gz FGUJBWAEFPNKMO-GXFFZTMASA-N 1 0 334.313 2.303 10 10 EECERO Cc1ccc([C@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c(O)c1C ZINC000866628306 1201562845 /nfs/dbraw/zinc/56/28/45/1201562845.db2.gz ILKFJDQSHVGXDB-LBPRGKRZSA-N 1 0 329.400 2.428 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccnc(C)n2)cc1C ZINC001274590279 1205089590 /nfs/dbraw/zinc/08/95/90/1205089590.db2.gz XOSGNZYAMSADIS-SNAWJCMRSA-N 1 0 340.427 2.178 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cnc(C)cn2)cc1C ZINC001274665945 1205123356 /nfs/dbraw/zinc/12/33/56/1205123356.db2.gz YGXISNYXHXXTDN-CQSZACIVSA-N 1 0 328.416 2.010 10 10 EECERO C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925845239 1206159590 /nfs/dbraw/zinc/15/95/90/1206159590.db2.gz OPKWNJPXBXFXPQ-AWEZNQCLSA-N 1 0 336.436 2.027 10 10 EECERO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929969987 1206523528 /nfs/dbraw/zinc/52/35/28/1206523528.db2.gz GSYLWXDZLFHVSV-LSTDLKDCSA-N 1 0 333.428 2.177 10 10 EECERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900896128 1234970923 /nfs/dbraw/zinc/97/09/23/1234970923.db2.gz UXJXIZMPGUHLBA-RHSMWYFYSA-N 1 0 329.444 2.495 10 10 EECERO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)ccc1O ZINC000903260615 1240127659 /nfs/dbraw/zinc/12/76/59/1240127659.db2.gz PTJQBYLHLHXTGY-SILCLGDVSA-N 1 0 327.222 2.459 10 10 EECERO CO[C@@]1(C[NH2+][C@H](C)c2ccc3ccccc3c2O)CCS(=O)(=O)C1 ZINC000903365399 1240319835 /nfs/dbraw/zinc/31/98/35/1240319835.db2.gz NABPOGHQIQKMPX-FZKQIMNGSA-N 1 0 349.452 2.400 10 10 EECERO [NH3+][C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000903982852 1242858792 /nfs/dbraw/zinc/85/87/92/1242858792.db2.gz XNDHWLHEOQBEGT-CVEARBPZSA-N 1 0 343.393 2.235 10 10 EECERO COC(=O)c1coc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000826844901 1248089129 /nfs/dbraw/zinc/08/91/29/1248089129.db2.gz BMJOVWGLKRPUPK-CQSZACIVSA-N 1 0 330.384 2.443 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)cc1 ZINC000850330734 1277176162 /nfs/dbraw/zinc/17/61/62/1277176162.db2.gz RUWASRDMGAXJHP-OAHLLOKOSA-N 1 0 326.444 2.454 10 10 EECERO CCOc1ccc(O)c(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850348086 1277191940 /nfs/dbraw/zinc/19/19/40/1277191940.db2.gz FFKHTKVJTTUWRT-OAQYLSRUSA-N 1 0 325.352 2.192 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1C[C@@H](C)CO1 ZINC001273522868 1279140709 /nfs/dbraw/zinc/14/07/09/1279140709.db2.gz ZCJBKHIBVHBJPN-RDTXWAMCSA-N 1 0 334.460 2.367 10 10 EECERO CN(C)c1ccc([C@H](CNc2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001187841304 1279668195 /nfs/dbraw/zinc/66/81/95/1279668195.db2.gz JWVHVDPFMBXXHC-AWEZNQCLSA-N 1 0 332.408 2.109 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001198827839 1285360171 /nfs/dbraw/zinc/36/01/71/1285360171.db2.gz HWCZRVWTIHTUIM-HXUWFJFHSA-N 1 0 345.487 2.404 10 10 EECERO COc1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001273902779 1289729216 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O=C(Cc1ccccc1F)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000097019048 463304056 /nfs/dbraw/zinc/30/40/56/463304056.db2.gz KHUCIWXXGPOAIT-UHFFFAOYSA-N 1 0 345.393 2.233 10 10 EECERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000247406386 464677005 /nfs/dbraw/zinc/67/70/05/464677005.db2.gz PUFDDBWDESTXKJ-ZFWWWQNUSA-N 1 0 334.439 2.270 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]3C)cc2F)CC1 ZINC000106584841 529153044 /nfs/dbraw/zinc/15/30/44/529153044.db2.gz ZOQMZRSUOMULRN-XJKSGUPXSA-N 1 0 334.439 2.175 10 10 EECERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000775351445 577435781 /nfs/dbraw/zinc/43/57/81/577435781.db2.gz QMNGBKBVEJHNED-NEPJUHHUSA-N 1 0 336.388 2.077 10 10 EECERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000776224369 577455024 /nfs/dbraw/zinc/45/50/24/577455024.db2.gz SVGICXJGDDLBKR-IAQYHMDHSA-N 1 0 348.834 2.371 10 10 EECERO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)CC[C@H]3C)CC2)cc1 ZINC000743874277 577890893 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COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ocnc2C)cc1C ZINC001270379986 1185060093 /nfs/dbraw/zinc/06/00/93/1185060093.db2.gz VHNFWOGIOJIXQP-LBPRGKRZSA-N 1 0 331.416 2.456 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2C=CCCC2)cc1C ZINC001482743328 1187700990 /nfs/dbraw/zinc/70/09/90/1187700990.db2.gz ZOOKOSTXTCELDN-AEFFLSMTSA-N 1 0 346.471 2.317 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCC23CC3)cc1C ZINC001482742865 1187701008 /nfs/dbraw/zinc/70/10/08/1187701008.db2.gz URMSTJLMGMQKNX-SJORKVTESA-N 1 0 346.471 2.151 10 10 EECERO CCCC[C@@H](C[NH3+])NC(=O)NCc1cc(Br)ccc1O ZINC000841959330 1188209014 /nfs/dbraw/zinc/20/90/14/1188209014.db2.gz PZCHVGJHYULSLZ-LBPRGKRZSA-N 1 0 344.253 2.471 10 10 EECERO CCc1ocnc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001483215021 1189196971 /nfs/dbraw/zinc/19/69/71/1189196971.db2.gz DVSWMDQFNWVRSO-ZDUSSCGKSA-N 1 0 331.416 2.462 10 10 EECERO COc1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)sn1 ZINC001483228930 1189548618 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C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(F)ccc1O ZINC000858565357 1294155638 /nfs/dbraw/zinc/15/56/38/1294155638.db2.gz NGXLRYCJUNFUOU-PBHICJAKSA-N 1 0 345.418 2.478 10 10 EECERO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000799146675 1305167391 /nfs/dbraw/zinc/16/73/91/1305167391.db2.gz AJDZVUNVULPYFY-WBVHZDCISA-N 1 0 329.400 2.279 10 10 EECERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(F)cn1 ZINC000799294016 1305214244 /nfs/dbraw/zinc/21/42/44/1305214244.db2.gz TZAJZXQYPWUSRE-LJQANCHMSA-N 1 0 345.418 2.223 10 10 EECERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H](O)C(C)C)C2)cc1C ZINC001278491270 1310674800 /nfs/dbraw/zinc/67/48/00/1310674800.db2.gz NSCWBLIIQMPVTD-QUCCMNQESA-N 1 0 348.487 2.349 10 10 EECERO OC[C@@]1(O)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000839152877 1315203213 /nfs/dbraw/zinc/20/32/13/1315203213.db2.gz CCUNORPJLXDGOQ-HXUWFJFHSA-N 1 0 343.423 2.290 10 10 EECERO Cc1cc(C)n2c(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cnc2n1 ZINC000841045678 1315462191 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CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1F ZINC001328785296 1334521284 /nfs/dbraw/zinc/52/12/84/1334521284.db2.gz ZOWCOUMJGAFJQN-MLGOLLRUSA-N 1 0 330.419 2.278 10 10 EECERO COc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC001329174408 1334600639 /nfs/dbraw/zinc/60/06/39/1334600639.db2.gz VUWOMOHBRAAQJC-UHFFFAOYSA-N 1 0 327.428 2.259 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1C ZINC001331628180 1335048463 /nfs/dbraw/zinc/04/84/63/1335048463.db2.gz LUNQZNPYQGUUNW-CQSZACIVSA-N 1 0 343.427 2.355 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@H](C)CN3CCOCC3)CC2)cc1 ZINC001616489161 1352329346 /nfs/dbraw/zinc/32/93/46/1352329346.db2.gz LEQJIDQJQMNLSR-SFHVURJKSA-N 1 0 347.503 2.176 10 10 EECERO C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O ZINC001644182934 1352759345 /nfs/dbraw/zinc/75/93/45/1352759345.db2.gz BOTQTNCLBJXRPL-JTQLQIEISA-N 1 0 326.356 2.263 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cn2ccnc2C)cc1C ZINC001666666704 1355561925 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ZINC000277602358 463921371 /nfs/dbraw/zinc/92/13/71/463921371.db2.gz VIZNZEBVROOLJC-NSHDSACASA-N 1 0 342.237 2.048 10 10 EECERO Cc1cc(C[NH+]2CCN(c3ccnc(C)n3)CC2)ccc1N(C)C ZINC000294775540 464601066 /nfs/dbraw/zinc/60/10/66/464601066.db2.gz ZNYXFXIDZOKYQI-UHFFFAOYSA-N 1 0 325.460 2.482 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000273456887 464717359 /nfs/dbraw/zinc/71/73/59/464717359.db2.gz YZUGIFSKRVCNKV-ZWKOTPCHSA-N 1 0 347.503 2.098 10 10 EECERO CC(C)C1CC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000754088277 577800032 /nfs/dbraw/zinc/80/00/32/577800032.db2.gz KLBOXICXWKYWEA-UHFFFAOYSA-N 1 0 336.501 2.446 10 10 EECERO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(Br)cc1O ZINC000927138221 693392036 /nfs/dbraw/zinc/39/20/36/693392036.db2.gz ZRVPFOWZUZKKSL-YMTOWFKASA-N 1 0 340.221 2.272 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)n2cccn2)cc1C ZINC001270904117 1185708876 /nfs/dbraw/zinc/70/88/76/1185708876.db2.gz IWVGGCMNIYGITQ-JKSUJKDBSA-N 1 0 344.459 2.398 10 10 EECERO C[C@@H](CCCC[NH3+])NC(=O)NCc1cc(Br)ccc1O ZINC000841998027 1188216648 /nfs/dbraw/zinc/21/66/48/1188216648.db2.gz VVCSFMVIBUJLAG-JTQLQIEISA-N 1 0 344.253 2.471 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccnnc2C)cc1C ZINC001272889233 1193592791 /nfs/dbraw/zinc/59/27/91/1193592791.db2.gz JZAMEEYJRTTZCE-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCCO3)CC2)cc1C ZINC001483727649 1190829601 /nfs/dbraw/zinc/82/96/01/1190829601.db2.gz XEHCSVYMIASKET-QGZVFWFLSA-N 1 0 332.444 2.311 10 10 EECERO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1Cl ZINC000825779783 1199218944 /nfs/dbraw/zinc/21/89/44/1199218944.db2.gz OXUGWPXNFMBFCJ-BXUZGUMPSA-N 1 0 346.880 2.162 10 10 EECERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825824277 1199408930 /nfs/dbraw/zinc/40/89/30/1199408930.db2.gz ILCDBJOCTPBBBR-TZMCWYRMSA-N 1 0 346.265 2.402 10 10 EECERO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccnnc1 ZINC000924727825 1206024920 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EECERO c1cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc2c1OCC2 ZINC000850396407 1277214399 /nfs/dbraw/zinc/21/43/99/1277214399.db2.gz VOGHXGKOXVTPOU-RTBURBONSA-N 1 0 328.456 2.355 10 10 EECERO C[N@H+](CCO[C@H]1CC1(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000851717766 1277725628 /nfs/dbraw/zinc/72/56/28/1277725628.db2.gz ONOKZYUPAJGAIM-INIZCTEOSA-N 1 0 326.387 2.379 10 10 EECERO CN(CC1CC1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232887 1292347809 /nfs/dbraw/zinc/34/78/09/1292347809.db2.gz AINRXAMZQFYNAR-KRWDZBQOSA-N 1 0 332.444 2.242 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000855231325 1293122089 /nfs/dbraw/zinc/12/20/89/1293122089.db2.gz KZHFDAVGZDGSDE-XHSDSOJGSA-N 1 0 331.460 2.263 10 10 EECERO O=C1CCCN1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858088566 1294002539 /nfs/dbraw/zinc/00/25/39/1294002539.db2.gz JQDDJUHJSLYCSE-UHFFFAOYSA-N 1 0 327.222 2.257 10 10 EECERO Cc1cccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1O ZINC000862536825 1295869938 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C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1F ZINC001161405828 1320491535 /nfs/dbraw/zinc/49/15/35/1320491535.db2.gz PVOJTUHCRSRQLR-UHFFFAOYSA-N 1 0 348.374 2.359 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@H]2CCCOC2)cc1C ZINC001317286897 1332165506 /nfs/dbraw/zinc/16/55/06/1332165506.db2.gz SZSULCPOWRFGDY-DOTOQJQBSA-N 1 0 334.460 2.415 10 10 EECERO COCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001320114369 1332831025 /nfs/dbraw/zinc/83/10/25/1332831025.db2.gz KSABTVPGMBQGJG-DLBZAZTESA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@]23C[C@H]2COC3)cc1C ZINC001320421540 1332879595 /nfs/dbraw/zinc/87/95/95/1332879595.db2.gz LBGTZRYIEVZBAW-QOKNQOGYSA-N 1 0 332.444 2.025 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccccn2)cc1C ZINC001320945188 1332984903 /nfs/dbraw/zinc/98/49/03/1332984903.db2.gz SRJDBYKAXQCSGG-AATRIKPKSA-N 1 0 325.412 2.474 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2[nH]c(C)nc2C)cc1C ZINC001321249869 1333055292 /nfs/dbraw/zinc/05/52/92/1333055292.db2.gz CTZKCYYCSGTMBY-AATRIKPKSA-N 1 0 342.443 2.419 10 10 EECERO CO[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CCS(=O)(=O)C1 ZINC001333162764 1335973695 /nfs/dbraw/zinc/97/36/95/1335973695.db2.gz HELYMCXWUVEDNQ-AHIWAGSCSA-N 1 0 339.457 2.042 10 10 EECERO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001636120065 1352659532 /nfs/dbraw/zinc/65/95/32/1352659532.db2.gz RDIQXPYRDPAIFG-QGZVFWFLSA-N 1 0 340.423 2.339 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2CCOCC2)cc1C ZINC001666506274 1355536065 /nfs/dbraw/zinc/53/60/65/1355536065.db2.gz SDQFVXWBEBIACZ-AWEZNQCLSA-N 1 0 334.460 2.272 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2oncc2C)cc1C ZINC001666641488 1355558664 /nfs/dbraw/zinc/55/86/64/1355558664.db2.gz LZFSRBVGAPJYFI-LBPRGKRZSA-N 1 0 331.416 2.456 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001667801695 1355816212 /nfs/dbraw/zinc/81/62/12/1355816212.db2.gz BPNHKJVWUQPEBA-OAHLLOKOSA-N 1 0 348.487 2.253 10 10 EECERO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000694814496 761973166 /nfs/dbraw/zinc/97/31/66/761973166.db2.gz SQLMNZADJYQXNO-GFCCVEGCSA-N 1 0 348.262 2.212 10 10 EECERO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)OC1=O ZINC000846845909 790673183 /nfs/dbraw/zinc/67/31/83/790673183.db2.gz QYUXDWVIXYAKGM-YOEHRIQHSA-N 1 0 333.432 2.015 10 10 EECERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1O ZINC000817364015 784742920 /nfs/dbraw/zinc/74/29/20/784742920.db2.gz BHVYROXGCQCTKW-CQSZACIVSA-N 1 0 342.395 2.042 10 10 EECERO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3(C)C)C2)cc1 ZINC000818341739 785245574 /nfs/dbraw/zinc/24/55/74/785245574.db2.gz FHOZXHLSJIMBQI-WMLDXEAASA-N 1 0 331.460 2.168 10 10 EECERO O[C@H]([C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000825124203 788447609 /nfs/dbraw/zinc/44/76/09/788447609.db2.gz JZWQHUWYDCJDJE-GOEBONIOSA-N 1 0 344.377 2.268 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)Cc1cn2c(n1)CCCC2 ZINC000845536880 789837629 /nfs/dbraw/zinc/83/76/29/789837629.db2.gz RDUODHZZFRVJJD-UHFFFAOYSA-N 1 0 326.444 2.453 10 10 EECERO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000786944274 806957704 /nfs/dbraw/zinc/95/77/04/806957704.db2.gz DXYKZZSOABKKNG-VIFPVBQESA-N 1 0 348.262 2.240 10 10 EECERO COc1ccc(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(O)c1 ZINC000792920451 810070486 /nfs/dbraw/zinc/07/04/86/810070486.db2.gz WYIUQMLWKVFMLE-OKILXGFUSA-N 1 0 335.448 2.463 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001464346076 1110392269 /nfs/dbraw/zinc/39/22/69/1110392269.db2.gz GNLGUWXAZYXHNB-RTBURBONSA-N 1 0 347.503 2.335 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnn(C)c3)CCC2)cc1C ZINC001501913250 1113521455 /nfs/dbraw/zinc/52/14/55/1113521455.db2.gz WEIXLKVYFJKSNV-UHFFFAOYSA-N 1 0 342.443 2.179 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2=COCCO2)cc1C ZINC001506910223 1114966070 /nfs/dbraw/zinc/96/60/70/1114966070.db2.gz LKOSFRVIJSZIDC-HNNXBMFYSA-N 1 0 348.443 2.266 10 10 EECERO CC[C@@H]([NH2+]CC(=O)NC1CC1)c1cc(Br)ccc1O ZINC000036782426 213118401 /nfs/dbraw/zinc/11/84/01/213118401.db2.gz HNFWYBQZMNOLJG-GFCCVEGCSA-N 1 0 327.222 2.474 10 10 EECERO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000527950725 317291695 /nfs/dbraw/zinc/29/16/95/317291695.db2.gz ATRKTVWIBZXNPZ-AQUOVQTQSA-N 1 0 348.212 2.484 10 10 EECERO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000089948925 462751559 /nfs/dbraw/zinc/75/15/59/462751559.db2.gz NDTTYKHHJFSVSY-QUCCMNQESA-N 1 0 345.487 2.260 10 10 EECERO CCCCOC[C@H](O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000195182714 464013823 /nfs/dbraw/zinc/01/38/23/464013823.db2.gz RAOLIQURNKUYNN-MRXNPFEDSA-N 1 0 340.439 2.134 10 10 EECERO COc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1O ZINC000289523731 464082586 /nfs/dbraw/zinc/08/25/86/464082586.db2.gz VOWSPZAPSGNGRY-UHFFFAOYSA-N 1 0 326.194 2.187 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000180078480 464237349 /nfs/dbraw/zinc/23/73/49/464237349.db2.gz HWYOPHZDPSONBC-UHFFFAOYSA-N 1 0 328.416 2.212 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000273456884 464716881 /nfs/dbraw/zinc/71/68/81/464716881.db2.gz YZUGIFSKRVCNKV-MSOLQXFVSA-N 1 0 347.503 2.098 10 10 EECERO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273468091 464717424 /nfs/dbraw/zinc/71/74/24/464717424.db2.gz FGBNFDRWLNNYPN-UWVGGRQHSA-N 1 0 325.210 2.486 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000192806427 465002013 /nfs/dbraw/zinc/00/20/13/465002013.db2.gz PHOZVLUFLDCFBI-HZRUHFOJSA-N 1 0 331.372 2.065 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@H](CO)c3cccnc3)CC2)cc1 ZINC000368575827 466674081 /nfs/dbraw/zinc/67/40/81/466674081.db2.gz OTXPFPZWGKHSEV-QGZVFWFLSA-N 1 0 341.455 2.425 10 10 EECERO CCOC(=O)C1(COC)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000373467443 466814075 /nfs/dbraw/zinc/81/40/75/466814075.db2.gz GMQOQZRQMBYAQS-UHFFFAOYSA-N 1 0 337.416 2.193 10 10 EECERO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc2O1 ZINC000378538759 467334744 /nfs/dbraw/zinc/33/47/44/467334744.db2.gz AXJHGSOLRITHNT-WAVCKPEOSA-N 1 0 339.395 2.156 10 10 EECERO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000766670541 577523126 /nfs/dbraw/zinc/52/31/26/577523126.db2.gz RKOJMCJHWAASTJ-CQSZACIVSA-N 1 0 327.446 2.108 10 10 EECERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000761107781 577676780 /nfs/dbraw/zinc/67/67/80/577676780.db2.gz HRNWNLJLPRCZCM-CQSZACIVSA-N 1 0 325.403 2.298 10 10 EECERO CN1C[C@H](CC[NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000723541046 676582636 /nfs/dbraw/zinc/58/26/36/676582636.db2.gz YISUKZWNGWZVAC-SNVBAGLBSA-N 1 0 327.222 2.113 10 10 EECERO COc1ccc(C[NH2+]C[C@H]2C[C@H](c3n[nH]c(C)n3)C[C@H]2O)cc1C ZINC000888076193 678673804 /nfs/dbraw/zinc/67/38/04/678673804.db2.gz HHINSGIFXDZEKC-ARFHVFGLSA-N 1 0 330.432 2.074 10 10 EECERO COC(=O)c1c(C[NH2+]CCOCC(F)F)c2cc(F)ccc2n1C ZINC000894538587 682960710 /nfs/dbraw/zinc/96/07/10/682960710.db2.gz SCNLFFPZKINPTF-UHFFFAOYSA-N 1 0 344.333 2.475 10 10 EECERO COC(=O)c1c(C[NH2+]CC[C@H](O)C(F)F)c2cc(F)ccc2n1C ZINC000895440176 684601223 /nfs/dbraw/zinc/60/12/23/684601223.db2.gz QQJYGDWXLYGZDR-ZDUSSCGKSA-N 1 0 344.333 2.210 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc1OC ZINC000895820097 684736500 /nfs/dbraw/zinc/73/65/00/684736500.db2.gz MCYTWLKAJPGFIA-XAYKYTGQSA-N 1 0 337.416 2.226 10 10 EECERO COCc1nc2n(n1)C[C@H]([NH2+]Cc1c(O)cc(C)cc1Cl)CC2 ZINC000840908321 684778724 /nfs/dbraw/zinc/77/87/24/684778724.db2.gz XLYQMBVQLIZZIV-LLVKDONJSA-N 1 0 336.823 2.197 10 10 EECERO CC[C@H](CNC(=O)[C@@H]1CCCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267798494 1180545771 /nfs/dbraw/zinc/54/57/71/1180545771.db2.gz RIGKQIAOLHDRBO-IAGOWNOFSA-N 1 0 334.460 2.415 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCO[C@@H]1C ZINC001268487513 1182970908 /nfs/dbraw/zinc/97/09/08/1182970908.db2.gz STQLNTRINGGTID-NVXWUHKLSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cnccn2)C2CC2)cc1C ZINC001269038044 1183911427 /nfs/dbraw/zinc/91/14/27/1183911427.db2.gz GNBWSWIUGBSDQS-INIZCTEOSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cnsn2)C(C)C)cc1C ZINC001271814770 1186514955 /nfs/dbraw/zinc/51/49/55/1186514955.db2.gz JQIKYTAPEDGTAO-AWEZNQCLSA-N 1 0 348.472 2.399 10 10 EECERO CC(C)OCC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482653172 1187483793 /nfs/dbraw/zinc/48/37/93/1187483793.db2.gz MYSJNZNNQICDGV-UHFFFAOYSA-N 1 0 349.435 2.278 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CO[C@@H](C)C1 ZINC001482934089 1187853560 /nfs/dbraw/zinc/85/35/60/1187853560.db2.gz BOOCKFOUKSRZNW-DOTOQJQBSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@]2(F)CCOC2)cc1C ZINC001485914582 1193638493 /nfs/dbraw/zinc/63/84/93/1193638493.db2.gz MFMGXQSNTCXGDY-KDOFPFPSSA-N 1 0 338.423 2.069 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000872306066 1198138394 /nfs/dbraw/zinc/13/83/94/1198138394.db2.gz VWCGDCNUZIYUEA-OLMNPRSZSA-N 1 0 331.460 2.298 10 10 EECERO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O ZINC000866492100 1201530338 /nfs/dbraw/zinc/53/03/38/1201530338.db2.gz DITXOLRVKIIOHJ-DUVNUKRYSA-N 1 0 336.432 2.413 10 10 EECERO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000866573821 1201551185 /nfs/dbraw/zinc/55/11/85/1201551185.db2.gz ZBZULWPUMNHNNX-GFCCVEGCSA-N 1 0 340.489 2.236 10 10 EECERO C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000868022202 1201728254 /nfs/dbraw/zinc/72/82/54/1201728254.db2.gz CCFPKRYSPIHPGG-KKUMJFAQSA-N 1 0 335.448 2.252 10 10 EECERO O=C1O[C@H](C[NH2+]Cc2ccc(Br)cc2O)CN1C1CC1 ZINC000826538743 1204221348 /nfs/dbraw/zinc/22/13/48/1204221348.db2.gz JHGVKYMEDPPBCS-GFCCVEGCSA-N 1 0 341.205 2.228 10 10 EECERO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)C(C)(C)C)CC2)cc1 ZINC000074317468 1206062094 /nfs/dbraw/zinc/06/20/94/1206062094.db2.gz PHFXYTINEZGHJV-OAHLLOKOSA-N 1 0 333.476 2.368 10 10 EECERO C[NH+]1CCC(n2ccc(NC(=O)NCc3c(O)cccc3F)n2)CC1 ZINC000931126151 1206608944 /nfs/dbraw/zinc/60/89/44/1206608944.db2.gz DRNZVSASBQPYTH-UHFFFAOYSA-N 1 0 347.394 2.316 10 10 EECERO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093278005 1214839170 /nfs/dbraw/zinc/83/91/70/1214839170.db2.gz PESVZMNWOULKHQ-IBGZPJMESA-N 1 0 343.471 2.110 10 10 EECERO COc1cc(O)c(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1OC ZINC000826904295 1248116910 /nfs/dbraw/zinc/11/69/10/1248116910.db2.gz ZOCKBTVVIFXSSJ-VHDGCEQUSA-N 1 0 339.432 2.065 10 10 EECERO NC(=O)CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000850411885 1277216661 /nfs/dbraw/zinc/21/66/61/1277216661.db2.gz NGYSKAZFMFHPRL-UHFFFAOYSA-N 1 0 345.487 2.439 10 10 EECERO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000850509565 1277254375 /nfs/dbraw/zinc/25/43/75/1277254375.db2.gz RUEVUTPYKUKKQE-AUUYWEPGSA-N 1 0 335.444 2.090 10 10 EECERO COc1ccc(C[NH2+][C@@]2(CO)CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001273902780 1289728862 /nfs/dbraw/zinc/72/88/62/1289728862.db2.gz HFWKFHRVTVBWMF-VHFSOBRXSA-N 1 0 346.471 2.103 10 10 EECERO [NH3+]C1(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000852869335 1292221840 /nfs/dbraw/zinc/22/18/40/1292221840.db2.gz CODUAZCKVPZMJY-LBPRGKRZSA-N 1 0 339.386 2.254 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]([NH3+])c3ccc(C)cc3)C2)cc1 ZINC000852900866 1292228267 /nfs/dbraw/zinc/22/82/67/1292228267.db2.gz UIGWIIMQXYPZHC-QFBILLFUSA-N 1 0 339.439 2.399 10 10 EECERO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc(CC)c3O)C2)n1 ZINC000856597003 1293578473 /nfs/dbraw/zinc/57/84/73/1293578473.db2.gz PZKFMZHXSIGNEF-IBGZPJMESA-N 1 0 345.443 2.470 10 10 EECERO CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1O ZINC000858465951 1294124456 /nfs/dbraw/zinc/12/44/56/1294124456.db2.gz RJAAFOZQGMRJPD-QFBILLFUSA-N 1 0 334.460 2.049 10 10 EECERO C[C@H]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C[NH2+]1 ZINC000861689746 1295506972 /nfs/dbraw/zinc/50/69/72/1295506972.db2.gz IOHYPLLLYFDKRN-CABZTGNLSA-N 1 0 342.237 2.094 10 10 EECERO C[C@H]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C[NH2+]1 ZINC000861689747 1295507317 /nfs/dbraw/zinc/50/73/17/1295507317.db2.gz IOHYPLLLYFDKRN-JOYOIKCWSA-N 1 0 342.237 2.094 10 10 EECERO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000862464698 1295851362 /nfs/dbraw/zinc/85/13/62/1295851362.db2.gz GJLXVLSOJXKBMN-HNNXBMFYSA-N 1 0 334.391 2.014 10 10 EECERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000840769349 1315409400 /nfs/dbraw/zinc/40/94/00/1315409400.db2.gz YBNFLCBURVADIY-CQSZACIVSA-N 1 0 332.423 2.289 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(Cl)c1 ZINC000840937757 1315440885 /nfs/dbraw/zinc/44/08/85/1315440885.db2.gz XHUVAJILHFSXDH-GFCCVEGCSA-N 1 0 327.808 2.366 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2cncs2)cc1C ZINC001265788327 1323381316 /nfs/dbraw/zinc/38/13/16/1323381316.db2.gz KHHCNBUULYVSPO-CYBMUJFWSA-N 1 0 333.457 2.297 10 10 EECERO CCc1n[nH]cc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265794529 1323383609 /nfs/dbraw/zinc/38/36/09/1323383609.db2.gz QEPKMEFAIQCEAX-CYBMUJFWSA-N 1 0 330.432 2.197 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2[nH]c(=O)[nH]c2C)cc1C ZINC001281725526 1325418616 /nfs/dbraw/zinc/41/86/16/1325418616.db2.gz OTANVKOOPWEXIL-LBPRGKRZSA-N 1 0 346.431 2.039 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001283813889 1326270580 /nfs/dbraw/zinc/27/05/80/1326270580.db2.gz ROTMQLDXTOQVDJ-OKZBNKHCSA-N 1 0 346.471 2.007 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001317073317 1332069673 /nfs/dbraw/zinc/06/96/73/1332069673.db2.gz OOOHCZLGJPZSEK-SHTZXODSSA-N 1 0 332.444 2.356 10 10 EECERO CC[C@@H](CNC(=O)c1cc(C)n[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318501646 1332552606 /nfs/dbraw/zinc/55/26/06/1332552606.db2.gz HJZLUNHURGDCAF-HNNXBMFYSA-N 1 0 330.432 2.333 10 10 EECERO COCC1(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001329085271 1334582190 /nfs/dbraw/zinc/58/21/90/1334582190.db2.gz JDCTUVPZQCFSMS-CABCVRRESA-N 1 0 334.460 2.413 10 10 EECERO C[C@H]([NH3+])CCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001329239057 1334612764 /nfs/dbraw/zinc/61/27/64/1334612764.db2.gz IGOSGWDKUPCNEX-MAUKXSAKSA-N 1 0 333.476 2.388 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCn2cccn2)cc1C ZINC001331390738 1335006752 /nfs/dbraw/zinc/00/67/52/1335006752.db2.gz WOGMRNRFOPLLNF-MRXNPFEDSA-N 1 0 344.459 2.227 10 10 EECERO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CSC[C@@H]4C3)cc2F)CC1 ZINC001331596677 1335042862 /nfs/dbraw/zinc/04/28/62/1335042862.db2.gz LKWUJDPEZTWYOA-IYBDPMFKSA-N 1 0 335.492 2.372 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2n[nH]c(C)c2C)cc1C ZINC001663861047 1355044745 /nfs/dbraw/zinc/04/47/45/1355044745.db2.gz PBEWBCHFAQOAEJ-UHFFFAOYSA-N 1 0 330.432 2.205 10 10 EECERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC001644183333 1352759318 /nfs/dbraw/zinc/75/93/18/1352759318.db2.gz JIFHLRQQTBVJIJ-VXGBXAGGSA-N 1 0 327.384 2.169 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2ccc(OC)cc2)CC[N@@H+]1C ZINC001644438730 1352762313 /nfs/dbraw/zinc/76/23/13/1352762313.db2.gz QYZUOUAEWFHEDW-ZWKOTPCHSA-N 1 0 333.476 2.320 10 10 EECERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001655349643 1354170889 /nfs/dbraw/zinc/17/08/89/1354170889.db2.gz NTIURYVKRXMAOE-STQMWFEESA-N 1 0 332.356 2.391 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3ncc[nH]3)CCC2)cc1C ZINC001673221688 1356655542 /nfs/dbraw/zinc/65/55/42/1356655542.db2.gz DAMYUFRLQPUXBI-UHFFFAOYSA-N 1 0 342.443 2.098 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001683421107 1358190860 /nfs/dbraw/zinc/19/08/60/1358190860.db2.gz FPPCTUHAFVZAOW-SUMDDJOVSA-N 1 0 344.503 2.338 10 10 EECERO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H](C)C(C)C)CC2)cc1 ZINC000819092821 785397820 /nfs/dbraw/zinc/39/78/20/785397820.db2.gz FIPPRVHLNINPIY-MJGOQNOKSA-N 1 0 349.519 2.060 10 10 EECERO O=C1[C@H]([NH2+]Cc2c(O)cccc2Br)CCN1C1CCC1 ZINC000708720635 786856975 /nfs/dbraw/zinc/85/69/75/786856975.db2.gz CBDDYIFOKWUCGD-CYBMUJFWSA-N 1 0 339.233 2.398 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1 ZINC000823776355 787931718 /nfs/dbraw/zinc/93/17/18/787931718.db2.gz NZVCNZLMNLVMLC-KBRIMQKVSA-N 1 0 340.427 2.165 10 10 EECERO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc(N2CCOCC2)cc1 ZINC000844175380 788887171 /nfs/dbraw/zinc/88/71/71/788887171.db2.gz GAIOKFMTTVYDLN-YJBOKZPZSA-N 1 0 345.487 2.479 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844441475 789124874 /nfs/dbraw/zinc/12/48/74/789124874.db2.gz ZTMDYFXLVJCAPR-KRWDZBQOSA-N 1 0 337.414 2.490 10 10 EECERO CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000846190412 790084633 /nfs/dbraw/zinc/08/46/33/790084633.db2.gz PLGZORATPNIVRU-UBHAPETDSA-N 1 0 327.222 2.459 10 10 EECERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1 ZINC000606441402 795559093 /nfs/dbraw/zinc/55/90/93/795559093.db2.gz LJAAKXQXXCKYSU-SHNOEDDCSA-N 1 0 343.471 2.122 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2n[nH]cc2F)C2CC2)cc1C ZINC001480043545 1099545767 /nfs/dbraw/zinc/54/57/67/1099545767.db2.gz IMZBDDYHZSVOPE-OAHLLOKOSA-N 1 0 346.406 2.164 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2n[nH]c(C)c2C)cc1C ZINC001497797496 1103123931 /nfs/dbraw/zinc/12/39/31/1103123931.db2.gz DSXMUPFCJILCDN-GFCCVEGCSA-N 1 0 330.432 2.252 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cnc(C)cn2)cc1C ZINC001498009556 1106777443 /nfs/dbraw/zinc/77/74/43/1106777443.db2.gz YGXISNYXHXXTDN-AWEZNQCLSA-N 1 0 328.416 2.010 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cnc(C)n2C)cc1C ZINC001507118167 1115117735 /nfs/dbraw/zinc/11/77/35/1115117735.db2.gz MLRUPTFNLJQDFN-AWEZNQCLSA-N 1 0 344.459 2.296 10 10 EECERO CCn1ccc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001507131288 1115124590 /nfs/dbraw/zinc/12/45/90/1115124590.db2.gz RHLIXXWQVMQXOO-OAHLLOKOSA-N 1 0 344.459 2.470 10 10 EECERO COCC[NH2+]CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001568011546 1124229598 /nfs/dbraw/zinc/22/95/98/1124229598.db2.gz JQADBNCNPHBDGH-UHFFFAOYSA-N 1 0 347.419 2.128 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001568990514 1125025620 /nfs/dbraw/zinc/02/56/20/1125025620.db2.gz NVGJGTNOHRTWRU-XBFCOCLRSA-N 1 0 326.387 2.499 10 10 EECERO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)CN1 ZINC000362337379 238225037 /nfs/dbraw/zinc/22/50/37/238225037.db2.gz VEMDECZGHLNZOQ-PKOBYXMFSA-N 1 0 343.471 2.014 10 10 EECERO O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)c1cccc(Cl)n1 ZINC000170676665 463693211 /nfs/dbraw/zinc/69/32/11/463693211.db2.gz NCGZOZUSGZAWEF-UHFFFAOYSA-N 1 0 348.809 2.214 10 10 EECERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Br)cc1O ZINC000185994411 463919371 /nfs/dbraw/zinc/91/93/71/463919371.db2.gz UOIALJCEKMAQMX-ONGXEEELSA-N 1 0 337.221 2.412 10 10 EECERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929741 464174460 /nfs/dbraw/zinc/17/44/60/464174460.db2.gz SPWKQZDNDWRXGT-JXFKEZNVSA-N 1 0 347.503 2.194 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)cc1 ZINC000180993160 464430510 /nfs/dbraw/zinc/43/05/10/464430510.db2.gz YGZZYDTUCQFCQJ-LJQANCHMSA-N 1 0 331.460 2.266 10 10 EECERO CCOc1ccc(O)c(C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000768650790 577560307 /nfs/dbraw/zinc/56/03/07/577560307.db2.gz KWLRFTDPHPZBOI-UHFFFAOYSA-N 1 0 327.446 2.095 10 10 EECERO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(O)c1 ZINC000769319120 577574927 /nfs/dbraw/zinc/57/49/27/577574927.db2.gz QBBGAXPEERVOOH-QGZVFWFLSA-N 1 0 334.460 2.478 10 10 EECERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1-c1cccc(Cl)c1 ZINC000262346699 679177731 /nfs/dbraw/zinc/17/77/31/679177731.db2.gz UEPPOOWDBABCRB-SUMWQHHRSA-N 1 0 347.846 2.058 10 10 EECERO Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(O)c1O ZINC000177674992 681443307 /nfs/dbraw/zinc/44/33/07/681443307.db2.gz QLXLEBVKFHAQJX-OAHLLOKOSA-N 1 0 328.412 2.309 10 10 EECERO C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000914201114 683355853 /nfs/dbraw/zinc/35/58/53/683355853.db2.gz XCLXVWVDRFSGCA-WMLDXEAASA-N 1 0 348.516 2.132 10 10 EECERO COc1cc(C)cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1O ZINC000895228461 684311523 /nfs/dbraw/zinc/31/15/23/684311523.db2.gz MSLWSDPHBCGKDK-UHFFFAOYSA-N 1 0 327.446 2.014 10 10 EECERO C[C@H]1CC[C@H](C[NH2+]CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)O1 ZINC001267476414 1179113214 /nfs/dbraw/zinc/11/32/14/1179113214.db2.gz BQDFXWLRJAOSIA-SWLSCSKDSA-N 1 0 347.419 2.078 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cn2cncc2C)cc1C ZINC001268383275 1182414010 /nfs/dbraw/zinc/41/40/10/1182414010.db2.gz KMJWATKAAMFXOM-OAHLLOKOSA-N 1 0 344.459 2.193 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CCOC2)C(C)C)cc1C ZINC001271816402 1186515970 /nfs/dbraw/zinc/51/59/70/1186515970.db2.gz YJXXBBRDQRZCPS-IRXDYDNUSA-N 1 0 334.460 2.271 10 10 EECERO COC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001482570298 1186904223 /nfs/dbraw/zinc/90/42/23/1186904223.db2.gz CJJFCEZHZMMIFJ-DOMZBBRYSA-N 1 0 349.435 2.228 10 10 EECERO COc1cc(Br)cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1O ZINC000814173613 1199326258 /nfs/dbraw/zinc/32/62/58/1199326258.db2.gz NMNZYQFJWHEFLW-GWCFXTLKSA-N 1 0 341.249 2.299 10 10 EECERO COCC[C@@H](COC)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000810173965 1199351576 /nfs/dbraw/zinc/35/15/76/1199351576.db2.gz LRZWBISZXUFBQA-LBPRGKRZSA-N 1 0 348.237 2.304 10 10 EECERO COc1ccc(N2CCCN(C(=O)CCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000870870564 1200923283 /nfs/dbraw/zinc/92/32/83/1200923283.db2.gz CVVUMOHUOCFPLJ-UHFFFAOYSA-N 1 0 343.471 2.266 10 10 EECERO CC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(N(C)C)cc1 ZINC000866524682 1201541323 /nfs/dbraw/zinc/54/13/23/1201541323.db2.gz LRZHHTGQTAOXSW-SJLPKXTDSA-N 1 0 333.432 2.015 10 10 EECERO COc1ccc(N2CCC[N@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)cc1 ZINC000929317036 1206464580 /nfs/dbraw/zinc/46/45/80/1206464580.db2.gz VKLZHERYKAMWKZ-ZYSHUDEJSA-N 1 0 332.444 2.011 10 10 EECERO COc1ccc(N2CC[NH+](CCCCCNC(C)=O)CC2)cc1F ZINC000929823944 1206505605 /nfs/dbraw/zinc/50/56/05/1206505605.db2.gz VLRJERFKNPNRNS-UHFFFAOYSA-N 1 0 337.439 2.263 10 10 EECERO CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210110 1206541536 /nfs/dbraw/zinc/54/15/36/1206541536.db2.gz KBAHFDKJBWDTMS-UWWQBHOKSA-N 1 0 332.444 2.373 10 10 EECERO CO[C@H](C[NH2+]Cc1ccc(Br)cc1O)[C@H]1CCOC1 ZINC000826822459 1248085125 /nfs/dbraw/zinc/08/51/25/1248085125.db2.gz UGLXLOBWPMCWOA-SMDDNHRTSA-N 1 0 330.222 2.296 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2cnc(C)o2)cc1C ZINC001491477071 1259126504 /nfs/dbraw/zinc/12/65/04/1259126504.db2.gz GAHXAVHDMJTKLO-CYBMUJFWSA-N 1 0 331.416 2.137 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(C(=O)N(C)C)CC3)C2)cc1 ZINC000850347793 1277191787 /nfs/dbraw/zinc/19/17/87/1277191787.db2.gz XPQFWSYVXZIQIG-MRXNPFEDSA-N 1 0 346.475 2.010 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850495806 1277247414 /nfs/dbraw/zinc/24/74/14/1277247414.db2.gz IZDVWUPFIZEJNI-AOUSDQRYSA-N 1 0 325.352 2.362 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1 ZINC000850563058 1277265541 /nfs/dbraw/zinc/26/55/41/1277265541.db2.gz RAUAGTWZKNMCFQ-UONOGXRCSA-N 1 0 333.432 2.342 10 10 EECERO COc1ccc(N2CCCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)cc1 ZINC000851629986 1277690525 /nfs/dbraw/zinc/69/05/25/1277690525.db2.gz FAPWSDSIPSMYSK-UHFFFAOYSA-N 1 0 343.471 2.396 10 10 EECERO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000799146674 1305167093 /nfs/dbraw/zinc/16/70/93/1305167093.db2.gz AJDZVUNVULPYFY-RDJZCZTQSA-N 1 0 329.400 2.279 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@]23C[C@H]2CCCC3)cc1C ZINC001278146991 1306097325 /nfs/dbraw/zinc/09/73/25/1306097325.db2.gz JIRGFEWUCLCHLE-FUHIMQAGSA-N 1 0 346.471 2.151 10 10 EECERO COc1cc(O)c(C[NH2+]CCCNCc2cccnc2)cc1OC ZINC000841041043 1315460780 /nfs/dbraw/zinc/46/07/80/1315460780.db2.gz AYAZGXNWIRQFQS-UHFFFAOYSA-N 1 0 331.416 2.074 10 10 EECERO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000843349974 1315896934 /nfs/dbraw/zinc/89/69/34/1315896934.db2.gz GRDXJEOQVDIVIW-RBUKOAKNSA-N 1 0 343.471 2.068 10 10 EECERO CCN(CC)c1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1 ZINC000843428633 1315913815 /nfs/dbraw/zinc/91/38/15/1315913815.db2.gz LHMVUEKIDLMSEJ-MRXNPFEDSA-N 1 0 332.492 2.085 10 10 EECERO COC[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001281991244 1325560391 /nfs/dbraw/zinc/56/03/91/1325560391.db2.gz UBYNYUQBKVGXIB-ODIFPOPNSA-N 1 0 334.460 2.271 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001283583612 1326145546 /nfs/dbraw/zinc/14/55/46/1326145546.db2.gz WCVHEGHMHCISHL-DOTOQJQBSA-N 1 0 333.476 2.034 10 10 EECERO CC[C@H](C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001283724420 1326220513 /nfs/dbraw/zinc/22/05/13/1326220513.db2.gz SOEFULMZCMPBPA-SWLSCSKDSA-N 1 0 349.435 2.324 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2cnoc2)cc1C ZINC001492073551 1330445699 /nfs/dbraw/zinc/44/56/99/1330445699.db2.gz RKAHFUZUJUVWTP-AWEZNQCLSA-N 1 0 331.416 2.219 10 10 EECERO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563917 1338722698 /nfs/dbraw/zinc/72/26/98/1338722698.db2.gz ZDADRALPYOMSMA-KURKYZTESA-N 1 0 347.503 2.111 10 10 EECERO COc1cc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC001611745432 1352303814 /nfs/dbraw/zinc/30/38/14/1352303814.db2.gz PGUANCYBJYYYIL-UHFFFAOYSA-N 1 0 344.371 2.334 10 10 EECERO CCc1nccc(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001611886656 1352304863 /nfs/dbraw/zinc/30/48/63/1352304863.db2.gz UOFYFNNZMMDXNE-UHFFFAOYSA-N 1 0 341.459 2.282 10 10 EECERO Cc1cc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)ccc1N1CCCCC1 ZINC001560231604 1342509345 /nfs/dbraw/zinc/50/93/45/1342509345.db2.gz WTSWPHDUVYSBFB-OALUTQOASA-N 1 0 332.488 2.408 10 10 EECERO CCOCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001571527690 1343229591 /nfs/dbraw/zinc/22/95/91/1343229591.db2.gz CCUJQODJGYWJBV-DLBZAZTESA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2csc(=O)[nH]2)cc1C ZINC001662314527 1354779786 /nfs/dbraw/zinc/77/97/86/1354779786.db2.gz MESZFIDEZIJCGH-LLVKDONJSA-N 1 0 335.429 2.074 10 10 EECERO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824516021 788197602 /nfs/dbraw/zinc/19/76/02/788197602.db2.gz IRZKWYUOXFPYCR-CQSZACIVSA-N 1 0 347.436 2.452 10 10 EECERO O=c1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc[nH]1 ZINC000921583073 789802760 /nfs/dbraw/zinc/80/27/60/789802760.db2.gz LRRBVIFOPIHEKN-UHFFFAOYSA-N 1 0 327.428 2.286 10 10 EECERO COCCOCC[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000846117404 790056035 /nfs/dbraw/zinc/05/60/35/790056035.db2.gz POODOAGFXSLWHO-PLNGDYQASA-N 1 0 347.503 2.046 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2(C)CCOCC2)cc1C ZINC001480555136 1100394259 /nfs/dbraw/zinc/39/42/59/1100394259.db2.gz OWRABSAPYJILEB-OAHLLOKOSA-N 1 0 334.460 2.415 10 10 EECERO CC[C@@H](CNC(=O)c1cnn(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494940183 1104583664 /nfs/dbraw/zinc/58/36/64/1104583664.db2.gz YGCZUBBPVGYZQX-INIZCTEOSA-N 1 0 330.432 2.035 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2n[nH]cc2F)cc1C ZINC001498610930 1107805219 /nfs/dbraw/zinc/80/52/19/1107805219.db2.gz NIKNPVZWZUVDME-UHFFFAOYSA-N 1 0 334.395 2.118 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3ccon3)CCC2)cc1C ZINC001501930574 1113527596 /nfs/dbraw/zinc/52/75/96/1113527596.db2.gz UKMYKXBJMLKTRX-UHFFFAOYSA-N 1 0 343.427 2.363 10 10 EECERO CCn1ccc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001507131287 1115124680 /nfs/dbraw/zinc/12/46/80/1115124680.db2.gz RHLIXXWQVMQXOO-HNNXBMFYSA-N 1 0 344.459 2.470 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)/C=C(/C)C2CC2)cc1C ZINC001507467882 1115283924 /nfs/dbraw/zinc/28/39/24/1115283924.db2.gz OPKCBCGDIAAPKC-RXEWJAMOSA-N 1 0 346.471 2.269 10 10 EECERO CCn1cc(C(=O)N(C)CCC[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001569190625 1125154421 /nfs/dbraw/zinc/15/44/21/1125154421.db2.gz BAHPDTFFRBSKKR-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000278819222 463994753 /nfs/dbraw/zinc/99/47/53/463994753.db2.gz ZEMLFQQHMYGZQJ-XJKSGUPXSA-N 1 0 343.851 2.200 10 10 EECERO Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1O ZINC000279383036 464096113 /nfs/dbraw/zinc/09/61/13/464096113.db2.gz JIGQQNMEFPZMNR-HNNXBMFYSA-N 1 0 339.233 2.175 10 10 EECERO CCOC(=O)C1(O)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000271879096 464397793 /nfs/dbraw/zinc/39/77/93/464397793.db2.gz UNGLDWXBYIQKDQ-UHFFFAOYSA-N 1 0 327.808 2.244 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)cc1 ZINC000180993180 464430909 /nfs/dbraw/zinc/43/09/09/464430909.db2.gz YGZZYDTUCQFCQJ-IBGZPJMESA-N 1 0 331.460 2.266 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000273456885 464717328 /nfs/dbraw/zinc/71/73/28/464717328.db2.gz YZUGIFSKRVCNKV-QZTJIDSGSA-N 1 0 347.503 2.098 10 10 EECERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(OCC)ccc1O ZINC000364326260 466693729 /nfs/dbraw/zinc/69/37/29/466693729.db2.gz GASLKYRKJLQETC-GOEBONIOSA-N 1 0 337.416 2.333 10 10 EECERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775254150 577433785 /nfs/dbraw/zinc/43/37/85/577433785.db2.gz HYUAWDVAQJDHLS-HNNXBMFYSA-N 1 0 331.460 2.042 10 10 EECERO CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775737115 577444392 /nfs/dbraw/zinc/44/43/92/577444392.db2.gz PCYUBKYSCKYMTK-UHFFFAOYSA-N 1 0 340.851 2.471 10 10 EECERO COc1cccc(O)c1C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000768903708 577565409 /nfs/dbraw/zinc/56/54/09/577565409.db2.gz SGYBTYCPAPFXKD-INIZCTEOSA-N 1 0 326.396 2.464 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933688919 676831547 /nfs/dbraw/zinc/83/15/47/676831547.db2.gz NDWNCDOSQCUPLI-VQTJNVASSA-N 1 0 346.471 2.293 10 10 EECERO Cc1cccc(O)c1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000895614714 684663666 /nfs/dbraw/zinc/66/36/66/684663666.db2.gz SHJMEWAOXGIUOK-UHFFFAOYSA-N 1 0 326.462 2.041 10 10 EECERO COc1ccc(C[NH2+][C@H](CCNC(=O)c2nnc[nH]2)C(C)C)cc1C ZINC001485791946 1191955105 /nfs/dbraw/zinc/95/51/05/1191955105.db2.gz YCTIQCZXJYAHLM-OAHLLOKOSA-N 1 0 345.447 2.056 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)COc2cccnc2)cc1C ZINC001266979652 1177974675 /nfs/dbraw/zinc/97/46/75/1177974675.db2.gz JQGJQVPGSMXUDL-HNNXBMFYSA-N 1 0 343.427 2.072 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCO[C@@H]1C ZINC001268487515 1182971086 /nfs/dbraw/zinc/97/10/86/1182971086.db2.gz STQLNTRINGGTID-WBVHZDCISA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCc2ncccn2)cc1C ZINC001268708404 1183626459 /nfs/dbraw/zinc/62/64/59/1183626459.db2.gz AEFUBKSWPAICIB-HNNXBMFYSA-N 1 0 342.443 2.021 10 10 EECERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)c3cnon3)C2)cc1C ZINC001270813701 1185414464 /nfs/dbraw/zinc/41/44/64/1185414464.db2.gz JCQOMXRNBYGQQY-SFHVURJKSA-N 1 0 344.415 2.029 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cnn(C)c2C)cc1C ZINC001485122679 1191661635 /nfs/dbraw/zinc/66/16/35/1191661635.db2.gz SSDJEFQIWMLFMP-KGLIPLIRSA-N 1 0 344.459 2.342 10 10 EECERO CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485231610 1191699673 /nfs/dbraw/zinc/69/96/73/1191699673.db2.gz IGANYTXGVRNCCZ-CHWSQXEVSA-N 1 0 349.435 2.370 10 10 EECERO CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C)cc1O ZINC000794810882 1198067887 /nfs/dbraw/zinc/06/78/87/1198067887.db2.gz NFXXPHPJHRRVSK-HNNXBMFYSA-N 1 0 326.462 2.167 10 10 EECERO Fc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1N1CCOCC1 ZINC000810171596 1199310205 /nfs/dbraw/zinc/31/02/05/1199310205.db2.gz MCYVUESZQLNDFE-CQSZACIVSA-N 1 0 330.407 2.033 10 10 EECERO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000827850732 1248826180 /nfs/dbraw/zinc/82/61/80/1248826180.db2.gz QMHVICLRSMKJNO-HXUWFJFHSA-N 1 0 347.503 2.066 10 10 EECERO C/C=C/[C@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127970 1235257298 /nfs/dbraw/zinc/25/72/98/1235257298.db2.gz RENCQRQQXJSRQQ-CALSWETCSA-N 1 0 338.835 2.063 10 10 EECERO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1Cl ZINC000827044077 1249647188 /nfs/dbraw/zinc/64/71/88/1249647188.db2.gz HXSGBLOUHGDOAN-UHFFFAOYSA-N 1 0 345.770 2.421 10 10 EECERO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)CS1(=O)=O ZINC000850369298 1277202540 /nfs/dbraw/zinc/20/25/40/1277202540.db2.gz UPHDUTYEAWYODM-JOYOIKCWSA-N 1 0 348.262 2.210 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C[NH3+])c3)C2)cc1 ZINC000851640106 1277696502 /nfs/dbraw/zinc/69/65/02/1277696502.db2.gz QHPNWJIZVDGNPN-MRXNPFEDSA-N 1 0 325.412 2.163 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C[NH3+])C3CCCC3)C2)cc1 ZINC000851664025 1277708058 /nfs/dbraw/zinc/70/80/58/1277708058.db2.gz PEJQNCCHRWMJRQ-QAPCUYQASA-N 1 0 346.475 2.091 10 10 EECERO OCCN1CCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000858169870 1294031257 /nfs/dbraw/zinc/03/12/57/1294031257.db2.gz FXAWGDCXAQOMEU-GFCCVEGCSA-N 1 0 343.265 2.091 10 10 EECERO COc1cccc(O)c1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000858236386 1294056456 /nfs/dbraw/zinc/05/64/56/1294056456.db2.gz LEOPBTWZFVZDME-UHFFFAOYSA-N 1 0 345.386 2.447 10 10 EECERO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC[N@@H+]1C ZINC000864471105 1296554934 /nfs/dbraw/zinc/55/49/34/1296554934.db2.gz XAODQSMUEFISTH-ZWKOTPCHSA-N 1 0 331.460 2.074 10 10 EECERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC001118803986 1308943789 /nfs/dbraw/zinc/94/37/89/1308943789.db2.gz UQQQATCNNGCWID-YGRLFVJLSA-N 1 0 346.265 2.402 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c(Cl)c1 ZINC000840908656 1315432812 /nfs/dbraw/zinc/43/28/12/1315432812.db2.gz WCSAVRYCKGQBHC-IAQYHMDHSA-N 1 0 326.824 2.079 10 10 EECERO Nc1ccc(CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000841961212 1315645110 /nfs/dbraw/zinc/64/51/10/1315645110.db2.gz CCAZZQOSHQPSIZ-UHFFFAOYSA-N 1 0 330.476 2.329 10 10 EECERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841978529 1315646886 /nfs/dbraw/zinc/64/68/86/1315646886.db2.gz WVFBBNUHXBFAQB-HYVNUMGLSA-N 1 0 347.459 2.081 10 10 EECERO CN(C)c1ccc([C@@H](CNC(=O)COc2ccsn2)[NH+](C)C)cc1 ZINC001304767476 1331396355 /nfs/dbraw/zinc/39/63/55/1331396355.db2.gz HOWYSFIIHUVPQE-OAHLLOKOSA-N 1 0 348.472 2.007 10 10 EECERO CC[C@H](CNC(=O)c1cn(C)cn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318512842 1332553481 /nfs/dbraw/zinc/55/34/81/1332553481.db2.gz CNGUMXNOOKVPNZ-OAHLLOKOSA-N 1 0 330.432 2.035 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cccc(=O)[nH]2)cc1C ZINC001319175953 1332660452 /nfs/dbraw/zinc/66/04/52/1332660452.db2.gz YXZQCKXRROQOKQ-ZDUSSCGKSA-N 1 0 343.427 2.260 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC=CCC2)cc1C ZINC001320261396 1332853695 /nfs/dbraw/zinc/85/36/95/1332853695.db2.gz XGHSSLDRWWODLK-AEFFLSMTSA-N 1 0 346.471 2.317 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ncccn2)cc1C ZINC001320581542 1332914904 /nfs/dbraw/zinc/91/49/04/1332914904.db2.gz KVFISKFHOVCYEU-CQSZACIVSA-N 1 0 328.416 2.092 10 10 EECERO CC[NH+](CC)C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC001320602930 1332919483 /nfs/dbraw/zinc/91/94/83/1332919483.db2.gz XRKPVGKSEKBBPG-UHFFFAOYSA-N 1 0 348.403 2.236 10 10 EECERO COCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001507421559 1342319941 /nfs/dbraw/zinc/31/99/41/1342319941.db2.gz OAFZECIHAMYNTJ-QGZVFWFLSA-N 1 0 334.460 2.367 10 10 EECERO COCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001673849401 1356749302 /nfs/dbraw/zinc/74/93/02/1356749302.db2.gz PWAQNMZZXGXZMA-WBVHZDCISA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cncc2C)cc1C ZINC001698839120 1405100307 /nfs/dbraw/zinc/10/03/07/1405100307.db2.gz NAHVWSLURSKGRE-OAHLLOKOSA-N 1 0 344.459 2.145 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3(C)C)C2)cc1 ZINC000818341737 785245927 /nfs/dbraw/zinc/24/59/27/785245927.db2.gz FHOZXHLSJIMBQI-PBHICJAKSA-N 1 0 331.460 2.168 10 10 EECERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cc(Br)ccc1O ZINC000706698948 785602592 /nfs/dbraw/zinc/60/25/92/785602592.db2.gz AETXPYAMHOYOGY-SCRDCRAPSA-N 1 0 330.222 2.345 10 10 EECERO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000823851681 787961689 /nfs/dbraw/zinc/96/16/89/787961689.db2.gz VXJLVOLZTMPFNY-OAHLLOKOSA-N 1 0 348.468 2.235 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccnn2C)c(C(F)(F)F)c1 ZINC000922975058 788458100 /nfs/dbraw/zinc/45/81/00/788458100.db2.gz VAWMOQULETVFRU-OAHLLOKOSA-N 1 0 342.365 2.328 10 10 EECERO COCC[NH2+]C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000844900100 789442088 /nfs/dbraw/zinc/44/20/88/789442088.db2.gz JHMZGWJUAPLFKI-UHFFFAOYSA-N 1 0 343.265 2.355 10 10 EECERO Cc1c(C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cnn1C ZINC000790936383 808987267 /nfs/dbraw/zinc/98/72/67/808987267.db2.gz GEOCGDLXNQYXIA-UHFFFAOYSA-N 1 0 332.423 2.336 10 10 EECERO Cc1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+]2CCCC2)o1 ZINC001442886771 1097283326 /nfs/dbraw/zinc/28/33/26/1097283326.db2.gz SILLOYHJBAFWIY-OAHLLOKOSA-N 1 0 344.411 2.495 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n2ccnc2)cc1C ZINC001480547368 1100381677 /nfs/dbraw/zinc/38/16/77/1100381677.db2.gz ZRUGCATWCDRQQC-JKSUJKDBSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)CC(C)(C)O)C2CC2)cc1C ZINC001498748499 1108021957 /nfs/dbraw/zinc/02/19/57/1108021957.db2.gz GGOBJTLMNPNYNB-MRXNPFEDSA-N 1 0 334.460 2.149 10 10 EECERO COC(=O)/C=C/c1ccc(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001458594989 1109905936 /nfs/dbraw/zinc/90/59/36/1109905936.db2.gz ODEBCHDMPBHIMM-VSWCJUERSA-N 1 0 345.399 2.454 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CC=CCC2)cc1C ZINC001507222796 1115155196 /nfs/dbraw/zinc/15/51/96/1115155196.db2.gz SMKPCTDWJFQMRW-SJLPKXTDSA-N 1 0 346.471 2.317 10 10 EECERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cn1 ZINC000128431299 462638914 /nfs/dbraw/zinc/63/89/14/462638914.db2.gz VHDJUKCDKUATAH-QGZVFWFLSA-N 1 0 326.444 2.246 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000185025460 463738332 /nfs/dbraw/zinc/73/83/32/463738332.db2.gz SSKVKIPIRKJLMA-GFCCVEGCSA-N 1 0 325.372 2.227 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000368046016 466570902 /nfs/dbraw/zinc/57/09/02/466570902.db2.gz WWMJOADYNFCEQB-ZDUSSCGKSA-N 1 0 328.416 2.543 10 10 EECERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(OCC)c1O ZINC000373587494 466857926 /nfs/dbraw/zinc/85/79/26/466857926.db2.gz XNTDZYRGKYHWSQ-HUUCEWRRSA-N 1 0 337.416 2.333 10 10 EECERO COCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436457143 467537157 /nfs/dbraw/zinc/53/71/57/467537157.db2.gz MBVGZDWWWKZYMJ-UHFFFAOYSA-N 1 0 329.444 2.170 10 10 EECERO COCCn1c(C)c(C)c2cc(C(=O)NCC34CC(C3)C[NH2+]4)ccc21 ZINC000662923339 472299843 /nfs/dbraw/zinc/29/98/43/472299843.db2.gz LPIBEQZQKSHHML-UHFFFAOYSA-N 1 0 341.455 2.386 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856005 534473344 /nfs/dbraw/zinc/47/33/44/534473344.db2.gz NZIOENMMUXNXIY-ROUUACIJSA-N 1 0 334.485 2.230 10 10 EECERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260577 577433881 /nfs/dbraw/zinc/43/38/81/577433881.db2.gz PLXDZIUYUWDVOZ-OAHLLOKOSA-N 1 0 333.476 2.479 10 10 EECERO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000777219785 577475237 /nfs/dbraw/zinc/47/52/37/577475237.db2.gz NLXJRIXCLKZVHR-CABCVRRESA-N 1 0 329.824 2.264 10 10 EECERO CC(C)(O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000769463878 577578374 /nfs/dbraw/zinc/57/83/74/577578374.db2.gz RUHBCOBPUPPYBD-UHFFFAOYSA-N 1 0 348.487 2.275 10 10 EECERO COCCOC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093754730 693739910 /nfs/dbraw/zinc/73/99/10/693739910.db2.gz DIDHZWWKGZSERY-SFHVURJKSA-N 1 0 334.460 2.008 10 10 EECERO COC(=O)c1c(C[N@H+]2C[C@H](O)C[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894950870 683429888 /nfs/dbraw/zinc/42/98/88/683429888.db2.gz XLUORSPKEYAOFV-WCQYABFASA-N 1 0 334.391 2.307 10 10 EECERO COC(=O)N[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000228353900 684203805 /nfs/dbraw/zinc/20/38/05/684203805.db2.gz QTQIKPLDVAUYEP-LBPRGKRZSA-N 1 0 343.221 2.393 10 10 EECERO COC[C@@H](C)[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001691238851 1177753906 /nfs/dbraw/zinc/75/39/06/1177753906.db2.gz FLVJJNOMUOKRPP-GFCCVEGCSA-N 1 0 347.419 2.078 10 10 EECERO COc1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)ccn1 ZINC001266948229 1177872174 /nfs/dbraw/zinc/87/21/74/1177872174.db2.gz HOYMHNUXXHFQNR-AWEZNQCLSA-N 1 0 343.427 2.315 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cn2nccc2C)cc1C ZINC001268004740 1180958695 /nfs/dbraw/zinc/95/86/95/1180958695.db2.gz HTWIFERZSWQXII-AWEZNQCLSA-N 1 0 344.459 2.051 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc(C)nn3)CC2)cc1C ZINC001670781949 1181703640 /nfs/dbraw/zinc/70/36/40/1181703640.db2.gz RBZIBLJQBONNNH-UHFFFAOYSA-N 1 0 340.427 2.154 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cn[nH]c2)C(C)C)cc1C ZINC001268203793 1182004005 /nfs/dbraw/zinc/00/40/05/1182004005.db2.gz FPAKEBQFIBCVSJ-MRXNPFEDSA-N 1 0 330.432 2.271 10 10 EECERO CCc1nc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001268643400 1183574808 /nfs/dbraw/zinc/57/48/08/1183574808.db2.gz VCECSOBPGSEUBI-CYBMUJFWSA-N 1 0 331.416 2.462 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872210269 1198088037 /nfs/dbraw/zinc/08/80/37/1198088037.db2.gz SSKGTZZQVLMOHW-CWFSZBLJSA-N 1 0 334.504 2.494 10 10 EECERO CCOCc1cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)ccc1OC ZINC000865655468 1198318324 /nfs/dbraw/zinc/31/83/24/1198318324.db2.gz HHPVZCYWWNFOKW-KRWDZBQOSA-N 1 0 336.476 2.167 10 10 EECERO O=C(CCC12CC(C1)C[NH2+]2)NCc1ccc(N2CCSCC2)cc1 ZINC000870868675 1200921805 /nfs/dbraw/zinc/92/18/05/1200921805.db2.gz LMWAIBYZTQBPRN-UHFFFAOYSA-N 1 0 345.512 2.388 10 10 EECERO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC000880509328 1201507136 /nfs/dbraw/zinc/50/71/36/1201507136.db2.gz ZZZXKTUCHNCNMU-MJGOQNOKSA-N 1 0 331.460 2.060 10 10 EECERO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c(O)c1C ZINC000866628305 1201563165 /nfs/dbraw/zinc/56/31/65/1201563165.db2.gz ILKFJDQSHVGXDB-GFCCVEGCSA-N 1 0 329.400 2.428 10 10 EECERO CCOc1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c(O)c1 ZINC000827839377 1248819137 /nfs/dbraw/zinc/81/91/37/1248819137.db2.gz ROXAKJCGMYQYCX-UHFFFAOYSA-N 1 0 326.396 2.448 10 10 EECERO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(N2CCCCC2)cc1 ZINC000903285438 1240174878 /nfs/dbraw/zinc/17/48/78/1240174878.db2.gz KGKSZMXXZRKUAL-YLJYHZDGSA-N 1 0 347.503 2.021 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](OC)C2CCC2)cc1C ZINC001491538904 1259190311 /nfs/dbraw/zinc/19/03/11/1259190311.db2.gz FWLOQMZUOYDOSS-KSSFIOAISA-N 1 0 334.460 2.413 10 10 EECERO COC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850347043 1277193223 /nfs/dbraw/zinc/19/32/23/1277193223.db2.gz MMKONOPFIRLBRT-HNNXBMFYSA-N 1 0 333.432 2.094 10 10 EECERO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858305724 1294077470 /nfs/dbraw/zinc/07/74/70/1294077470.db2.gz CELZKWTVVCBDQR-HNNXBMFYSA-N 1 0 347.846 2.431 10 10 EECERO CC[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1O ZINC000858465952 1294124629 /nfs/dbraw/zinc/12/46/29/1294124629.db2.gz RJAAFOZQGMRJPD-VQIMIIECSA-N 1 0 334.460 2.049 10 10 EECERO OC[C@]1(O)CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000839152876 1315203568 /nfs/dbraw/zinc/20/35/68/1315203568.db2.gz CCUNORPJLXDGOQ-FQEVSTJZSA-N 1 0 343.423 2.290 10 10 EECERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000840270932 1315341424 /nfs/dbraw/zinc/34/14/24/1315341424.db2.gz XOSWRJBMLMYKBF-QAPCUYQASA-N 1 0 332.492 2.385 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841832804 1315620452 /nfs/dbraw/zinc/62/04/52/1315620452.db2.gz UFCFTYPLZRXSGF-FQEVSTJZSA-N 1 0 340.471 2.348 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCn2ccnc2)cc1C ZINC001319510059 1332713647 /nfs/dbraw/zinc/71/36/47/1332713647.db2.gz IVADKGLSJFDCQC-MRXNPFEDSA-N 1 0 344.459 2.227 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)cc2F)CC1 ZINC001329293882 1334621726 /nfs/dbraw/zinc/62/17/26/1334621726.db2.gz XADKUQLLBATLJT-HRYJEPKJSA-N 1 0 345.462 2.091 10 10 EECERO CC(C)N(CC[N@H+](C)CCCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001332740678 1335895588 /nfs/dbraw/zinc/89/55/88/1335895588.db2.gz QHNGXSBEGOOLPC-UHFFFAOYSA-N 1 0 349.435 2.014 10 10 EECERO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccccc1O ZINC001560075292 1342506309 /nfs/dbraw/zinc/50/63/09/1342506309.db2.gz ZRWMKNQLUVQOLY-CYBMUJFWSA-N 1 0 327.384 2.069 10 10 EECERO CN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)cc1F ZINC001650743745 1354028849 /nfs/dbraw/zinc/02/88/49/1354028849.db2.gz AVABBSRAHKXGKI-OAHLLOKOSA-N 1 0 342.418 2.429 10 10 EECERO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001650768763 1354029173 /nfs/dbraw/zinc/02/91/73/1354029173.db2.gz WDYURTOPUFLEFR-UHFFFAOYSA-N 1 0 334.460 2.467 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccnnc2)cc1C ZINC001662980103 1354882562 /nfs/dbraw/zinc/88/25/62/1354882562.db2.gz SMYQOOWBQFBEHC-CQSZACIVSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2ccccc2F)cc1C ZINC001667784608 1355813416 /nfs/dbraw/zinc/81/34/16/1355813416.db2.gz OQKQKNUPJGSUEB-OAHLLOKOSA-N 1 0 346.402 2.023 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2ccccc2F)cc1C ZINC001667784607 1355813858 /nfs/dbraw/zinc/81/38/58/1355813858.db2.gz OQKQKNUPJGSUEB-HNNXBMFYSA-N 1 0 346.402 2.023 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cnns2)cc1C ZINC001674633220 1356866428 /nfs/dbraw/zinc/86/64/28/1356866428.db2.gz JHFABIWEFLEUDU-RYUDHWBXSA-N 1 0 334.445 2.152 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cnsn2)cc1C ZINC001698817941 1405087622 /nfs/dbraw/zinc/08/76/22/1405087622.db2.gz KDFLKDCRZNTHJY-LBPRGKRZSA-N 1 0 334.445 2.105 10 10 EECERO CCn1nccc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698824765 1405091448 /nfs/dbraw/zinc/09/14/48/1405091448.db2.gz XQPUEBNXPJILBN-HNNXBMFYSA-N 1 0 344.459 2.470 10 10 EECERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816608989 784148654 /nfs/dbraw/zinc/14/86/54/784148654.db2.gz PCIJUQCSWOGTPG-INIZCTEOSA-N 1 0 348.468 2.449 10 10 EECERO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001136319922 785842786 /nfs/dbraw/zinc/84/27/86/785842786.db2.gz ZRQLNGZEAVQLCJ-HNNXBMFYSA-N 1 0 332.375 2.199 10 10 EECERO COc1ccc(C[NH2+]Cc2cc(OC)c3c(c2)OCCO3)c(O)c1 ZINC000793391401 810315026 /nfs/dbraw/zinc/31/50/26/810315026.db2.gz XVUNIQMIOAYZDN-UHFFFAOYSA-N 1 0 331.368 2.470 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cnsn2)cc1C ZINC001495620570 1101346319 /nfs/dbraw/zinc/34/63/19/1101346319.db2.gz FLODUQWNKUNMNE-LLVKDONJSA-N 1 0 334.445 2.011 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ncccn2)cc1C ZINC001480799904 1107138644 /nfs/dbraw/zinc/13/86/44/1107138644.db2.gz QQEBPSGDEZJQFM-AWEZNQCLSA-N 1 0 328.416 2.092 10 10 EECERO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC001464638165 1110399541 /nfs/dbraw/zinc/39/95/41/1110399541.db2.gz GTHPYAPTJIIBPR-CQSZACIVSA-N 1 0 340.423 2.203 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@H](C)CC[NH+](C)C)CC2)cc1F ZINC001465930417 1110426598 /nfs/dbraw/zinc/42/65/98/1110426598.db2.gz QIYIRWFWUJJYMB-CQSZACIVSA-N 1 0 337.439 2.071 10 10 EECERO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001542738254 1124115513 /nfs/dbraw/zinc/11/55/13/1124115513.db2.gz LCNCUSPUPAZJBH-UHFFFAOYSA-N 1 0 328.412 2.361 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cc(C)cs2)cc1C ZINC001568558507 1124609934 /nfs/dbraw/zinc/60/99/34/1124609934.db2.gz SJSFXLAUKLVRJL-HNNXBMFYSA-N 1 0 348.468 2.254 10 10 EECERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000092096093 533441164 /nfs/dbraw/zinc/44/11/64/533441164.db2.gz XTMPVTLPWGCVNL-VAMGGRTRSA-N 1 0 346.471 2.292 10 10 EECERO CCC[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+](C)C ZINC000122726559 463286800 /nfs/dbraw/zinc/28/68/00/463286800.db2.gz TYTUERMEELJZRM-SFHVURJKSA-N 1 0 333.476 2.212 10 10 EECERO Cc1nc(CN2CCC[N@@H+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000179212358 464082940 /nfs/dbraw/zinc/08/29/40/464082940.db2.gz FHDFPADJLLTCQC-UHFFFAOYSA-N 1 0 329.448 2.152 10 10 EECERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(C)c3O)C2=O)n(C)n1 ZINC000182482829 464666307 /nfs/dbraw/zinc/66/63/07/464666307.db2.gz RPRRDMOLKDTLHO-HNNXBMFYSA-N 1 0 328.416 2.028 10 10 EECERO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1O ZINC000368213510 466588275 /nfs/dbraw/zinc/58/82/75/466588275.db2.gz URLXBABRIYHWJE-IAQYHMDHSA-N 1 0 338.835 2.476 10 10 EECERO COc1ccc(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c(O)c1 ZINC000528709256 467733793 /nfs/dbraw/zinc/73/37/93/467733793.db2.gz MEVKKRPHCFYELW-UHFFFAOYSA-N 1 0 343.383 2.205 10 10 EECERO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804734732 675610591 /nfs/dbraw/zinc/61/05/91/675610591.db2.gz XOKFFHZAWDIZNR-LBPRGKRZSA-N 1 0 327.222 2.255 10 10 EECERO COc1ccc(C[NH2+]C[C@H]2C[C@@H](c3n[nH]c(C)n3)C[C@H]2O)cc1C ZINC000888076194 678674092 /nfs/dbraw/zinc/67/40/92/678674092.db2.gz HHINSGIFXDZEKC-BZUAXINKSA-N 1 0 330.432 2.074 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2n[nH]c(C)c2C)cc1C ZINC001266929073 1177826059 /nfs/dbraw/zinc/82/60/59/1177826059.db2.gz AMZKWCIWLAACCQ-LBPRGKRZSA-N 1 0 330.432 2.252 10 10 EECERO COC[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267032931 1178124358 /nfs/dbraw/zinc/12/43/58/1178124358.db2.gz NMLBLOBRKAEEIO-WBVHZDCISA-N 1 0 334.460 2.224 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cn2nc(C)cc2C)cc1C ZINC001481255726 1180486608 /nfs/dbraw/zinc/48/66/08/1180486608.db2.gz RCIRRINENLFBOW-UHFFFAOYSA-N 1 0 344.459 2.065 10 10 EECERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(CO)OC)c1O ZINC000848556203 1186207153 /nfs/dbraw/zinc/20/71/53/1186207153.db2.gz PVASXIYNYQFYDU-YMTOWFKASA-N 1 0 348.237 2.211 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@]2(C)CC=CCC2)cc1C ZINC001272425272 1190813163 /nfs/dbraw/zinc/81/31/63/1190813163.db2.gz KMHRUCISMZIMCR-YLJYHZDGSA-N 1 0 346.471 2.317 10 10 EECERO Cn1ncc(Br)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703394910 1196459465 /nfs/dbraw/zinc/45/94/65/1196459465.db2.gz NONHIIBWJNBUPM-UHFFFAOYSA-N 1 0 332.148 2.456 10 10 EECERO CNC(=O)CCOC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815059164 1197850202 /nfs/dbraw/zinc/85/02/02/1197850202.db2.gz KBGXTPIXMMYXCV-UHFFFAOYSA-N 1 0 333.476 2.178 10 10 EECERO CN(C)c1ccc(C[NH2+]CCOCC(=O)OC(C)(C)C)cc1F ZINC000865684513 1198331165 /nfs/dbraw/zinc/33/11/65/1198331165.db2.gz XYDFTGFFEMIXNN-UHFFFAOYSA-N 1 0 326.412 2.340 10 10 EECERO C[NH+]1CCN(c2ccc(CNc3nnc(C(F)(F)F)o3)cc2)CC1 ZINC000811835665 1200343690 /nfs/dbraw/zinc/34/36/90/1200343690.db2.gz HTGPEUPPXUGJMO-UHFFFAOYSA-N 1 0 341.337 2.452 10 10 EECERO O=C(CCC12CC(C1)C[NH2+]2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000870883727 1200931873 /nfs/dbraw/zinc/93/18/73/1200931873.db2.gz GJZLSQWQVWIUQI-RYZJOYRSSA-N 1 0 344.455 2.432 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)[C@]34CCC[C@H]3OCC4)cc2)CC1 ZINC000881855246 1201776060 /nfs/dbraw/zinc/77/60/60/1201776060.db2.gz RQRLLAZPGBZKEN-QUCCMNQESA-N 1 0 343.471 2.014 10 10 EECERO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929753642 1206498378 /nfs/dbraw/zinc/49/83/78/1206498378.db2.gz TWAYQZIIIFAROX-MRXNPFEDSA-N 1 0 328.416 2.183 10 10 EECERO O=C(Nc1ccccc1)C1([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000778213793 1207890673 /nfs/dbraw/zinc/89/06/73/1207890673.db2.gz OGNRHGBKMVAEFA-UHFFFAOYSA-N 1 0 326.352 2.382 10 10 EECERO COc1cc(O)c(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1OC ZINC000826902212 1248115492 /nfs/dbraw/zinc/11/54/92/1248115492.db2.gz ISAOJYWHVLTNJB-CQSZACIVSA-N 1 0 342.395 2.087 10 10 EECERO COc1ccc(N2CC[C@@H](CNC(=O)C3([NH3+])CC4(CCC4)C3)C2)cc1 ZINC000851641003 1277697672 /nfs/dbraw/zinc/69/76/72/1277697672.db2.gz INFVIECXLQLLKN-HNNXBMFYSA-N 1 0 343.471 2.299 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000858225697 1294052167 /nfs/dbraw/zinc/05/21/67/1294052167.db2.gz IMAJEAAAQBSSAD-HUUCEWRRSA-N 1 0 332.366 2.401 10 10 EECERO C[N@H+](Cc1c(O)cccc1Br)[C@H]1CCN2CCO[C@H]1C2 ZINC000862382538 1295816316 /nfs/dbraw/zinc/81/63/16/1295816316.db2.gz UTWANHMLVHVIIJ-ZFWWWQNUSA-N 1 0 341.249 2.060 10 10 EECERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000862542910 1295872246 /nfs/dbraw/zinc/87/22/46/1295872246.db2.gz DAKQLBOBQZDKMB-RISCZKNCSA-N 1 0 339.779 2.365 10 10 EECERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001142843021 1315768299 /nfs/dbraw/zinc/76/82/99/1315768299.db2.gz MZVQMFOHACCNRD-UHFFFAOYSA-N 1 0 346.402 2.370 10 10 EECERO Cc1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000843418742 1315911491 /nfs/dbraw/zinc/91/14/91/1315911491.db2.gz XSQSIWKXGBYBSJ-AWEZNQCLSA-N 1 0 333.409 2.025 10 10 EECERO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@H+](C)Cc1ccccc1 ZINC001293471519 1328727129 /nfs/dbraw/zinc/72/71/29/1328727129.db2.gz WGBJTASJHBGNFH-AWEZNQCLSA-N 1 0 328.412 2.277 10 10 EECERO CCc1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001265754446 1323364317 /nfs/dbraw/zinc/36/43/17/1323364317.db2.gz FBIHTTDWMAYGRE-ZDUSSCGKSA-N 1 0 330.432 2.197 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001290262844 1328168350 /nfs/dbraw/zinc/16/83/50/1328168350.db2.gz XTHZCNIRJHPLPQ-UHFFFAOYSA-N 1 0 338.371 2.206 10 10 EECERO Cc1oncc1C[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001491689218 1330206943 /nfs/dbraw/zinc/20/69/43/1330206943.db2.gz AZVDZTLKXTXNOA-SNVBAGLBSA-N 1 0 344.375 2.054 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2c(C)coc2C)cc1C ZINC001320215648 1332849778 /nfs/dbraw/zinc/84/97/78/1332849778.db2.gz TWJLBDVAQGIXEK-INIZCTEOSA-N 1 0 346.427 2.094 10 10 EECERO Cc1cncc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001330301565 1334820367 /nfs/dbraw/zinc/82/03/67/1334820367.db2.gz SCZUCXSADLYECU-UHFFFAOYSA-N 1 0 343.450 2.008 10 10 EECERO C[C@H]([NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351321152 1337808310 /nfs/dbraw/zinc/80/83/10/1337808310.db2.gz VKKZXGZESCTSDU-GJZGRUSLSA-N 1 0 333.476 2.429 10 10 EECERO COc1cc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)sn1 ZINC001567496910 1342769837 /nfs/dbraw/zinc/76/98/37/1342769837.db2.gz BUMBCEFUTRQLSW-UHFFFAOYSA-N 1 0 349.456 2.331 10 10 EECERO CCOCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001571527692 1343229527 /nfs/dbraw/zinc/22/95/27/1343229527.db2.gz CCUJQODJGYWJBV-IRXDYDNUSA-N 1 0 334.460 2.415 10 10 EECERO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccc(O)c2O)CC1 ZINC001627128001 1352484364 /nfs/dbraw/zinc/48/43/64/1352484364.db2.gz OSCZPEDARPZYBA-UHFFFAOYSA-N 1 0 330.384 2.427 10 10 EECERO CN(C(=O)c1cccc(O)c1O)c1ccc(OCC[NH+](C)C)cc1 ZINC001627797234 1352510586 /nfs/dbraw/zinc/51/05/86/1352510586.db2.gz JQPQGNIHAWBPEZ-UHFFFAOYSA-N 1 0 330.384 2.315 10 10 EECERO COC(=O)/C=C\c1ccc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001655630140 1354180198 /nfs/dbraw/zinc/18/01/98/1354180198.db2.gz XDUPCTGQEWJFNH-VASHYATMSA-N 1 0 345.399 2.169 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001662340168 1354783084 /nfs/dbraw/zinc/78/30/84/1354783084.db2.gz LXVGAJKSONMEDR-ZDRJDWQYSA-N 1 0 332.444 2.165 10 10 EECERO CCc1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001662389938 1354790508 /nfs/dbraw/zinc/79/05/08/1354790508.db2.gz ZUWXCRJTUHDFBQ-CYBMUJFWSA-N 1 0 331.416 2.462 10 10 EECERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)c2cn[nH]n2)cc1C ZINC001674845125 1356902520 /nfs/dbraw/zinc/90/25/20/1356902520.db2.gz RQLXKNTZXNPIBM-UHFFFAOYSA-N 1 0 345.447 2.010 10 10 EECERO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000693472404 759952702 /nfs/dbraw/zinc/95/27/02/759952702.db2.gz CPMRZKLLRHQJFU-UHFFFAOYSA-N 1 0 348.262 2.212 10 10 EECERO C[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000846674269 790367507 /nfs/dbraw/zinc/36/75/07/790367507.db2.gz VUMVVWQFBXGHFQ-GDIGMMSISA-N 1 0 343.471 2.231 10 10 EECERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Br)cc1O ZINC000846191056 790084701 /nfs/dbraw/zinc/08/47/01/790084701.db2.gz AHXMXPKTRCNYMX-YGRLFVJLSA-N 1 0 330.222 2.347 10 10 EECERO O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(Br)ccc1O ZINC000714342822 794922653 /nfs/dbraw/zinc/92/26/53/794922653.db2.gz RZRNAIJVFPIVCP-LBPRGKRZSA-N 1 0 348.262 2.212 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]34C[C@H]3CCC4)cc2)CC1 ZINC000924008828 798130193 /nfs/dbraw/zinc/13/01/93/798130193.db2.gz VAAAEHJDWYNHLE-XLIONFOSSA-N 1 0 342.487 2.428 10 10 EECERO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1O ZINC000797097022 798881934 /nfs/dbraw/zinc/88/19/34/798881934.db2.gz SSNFKZRKNLLVKU-ZFWWWQNUSA-N 1 0 326.462 2.247 10 10 EECERO O=c1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc[nH]1 ZINC000922176425 799657935 /nfs/dbraw/zinc/65/79/35/799657935.db2.gz FAWTWLSZFNAMBZ-UHFFFAOYSA-N 1 0 335.354 2.192 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cn(C)nc2C)cc1C ZINC001497151870 1102036462 /nfs/dbraw/zinc/03/64/62/1102036462.db2.gz HJHWZJYQCIDFHI-CQSZACIVSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](OC)C2CCC2)cc1C ZINC001493649447 1108456458 /nfs/dbraw/zinc/45/64/58/1108456458.db2.gz WSKKFURAYJNLPR-SFHVURJKSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCOC3)CCC2)cc1C ZINC001501924071 1113525403 /nfs/dbraw/zinc/52/54/03/1113525403.db2.gz XIOXYRVXLZQACR-INIZCTEOSA-N 1 0 332.444 2.169 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2=CCOCC2)cc1C ZINC001507069046 1115091445 /nfs/dbraw/zinc/09/14/45/1115091445.db2.gz VPNYBOVFBDDNSZ-HNNXBMFYSA-N 1 0 332.444 2.287 10 10 EECERO CC[C@@H](CNC(=O)c1c(C)cnn1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567973275 1124212033 /nfs/dbraw/zinc/21/20/33/1124212033.db2.gz COQSMLDEEOYASJ-INIZCTEOSA-N 1 0 344.459 2.344 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@]2(F)CCOC2)cc1C ZINC001568668833 1124682869 /nfs/dbraw/zinc/68/28/69/1124682869.db2.gz DCXJQMUKTXRRBQ-KSSFIOAISA-N 1 0 338.423 2.117 10 10 EECERO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c(O)c1C ZINC000527954511 317292669 /nfs/dbraw/zinc/29/26/69/317292669.db2.gz LRLZLENBZUIEKW-OXJNMPFZSA-N 1 0 348.487 2.275 10 10 EECERO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278731810 463977205 /nfs/dbraw/zinc/97/72/05/463977205.db2.gz QMBJAJWTVYDDOY-OAHLLOKOSA-N 1 0 330.432 2.201 10 10 EECERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000245705965 464507798 /nfs/dbraw/zinc/50/77/98/464507798.db2.gz FACJTOGEKGVRSM-RYUDHWBXSA-N 1 0 343.265 2.042 10 10 EECERO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1F ZINC000368041856 466571683 /nfs/dbraw/zinc/57/16/83/466571683.db2.gz MBBQBUFAJAAVCT-CQSZACIVSA-N 1 0 329.423 2.644 10 10 EECERO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000777219795 577475260 /nfs/dbraw/zinc/47/52/60/577475260.db2.gz NLXJRIXCLKZVHR-GJZGRUSLSA-N 1 0 329.824 2.264 10 10 EECERO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765518443 577502467 /nfs/dbraw/zinc/50/24/67/577502467.db2.gz VYCQLTNSDHYMEK-LRDDRELGSA-N 1 0 337.851 2.106 10 10 EECERO COC(C)(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768916058 577565693 /nfs/dbraw/zinc/56/56/93/577565693.db2.gz QMTJNVGQYMPWCA-UHFFFAOYSA-N 1 0 345.487 2.260 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747553827 577946234 /nfs/dbraw/zinc/94/62/34/577946234.db2.gz ABMIODKJPFSRRE-UHFFFAOYSA-N 1 0 344.463 2.141 10 10 EECERO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)NC(C)(C)C)c(Cl)c1 ZINC000840886446 682102668 /nfs/dbraw/zinc/10/26/68/682102668.db2.gz WXHNGEYHSBYBGO-UHFFFAOYSA-N 1 0 334.869 2.162 10 10 EECERO CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923596866 684019506 /nfs/dbraw/zinc/01/95/06/684019506.db2.gz KHGQIBTYHZZKNB-QGZVFWFLSA-N 1 0 339.505 2.045 10 10 EECERO CCCCN(Cc1ccccc1O)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897683128 691742328 /nfs/dbraw/zinc/74/23/28/691742328.db2.gz JEHFFOHXAANLEM-QGZVFWFLSA-N 1 0 332.444 2.242 10 10 EECERO O=C(NCc1cc(Br)ccc1O)[C@@]12CC[N@H+](C1)CCC2 ZINC000897748566 691764667 /nfs/dbraw/zinc/76/46/67/691764667.db2.gz WTQDVNXZFUMPBT-HNNXBMFYSA-N 1 0 339.233 2.257 10 10 EECERO COc1cc(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001267126880 1178296122 /nfs/dbraw/zinc/29/61/22/1178296122.db2.gz YGTPEBJPRLPRKN-CYBMUJFWSA-N 1 0 347.415 2.298 10 10 EECERO COCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481754233 1182555020 /nfs/dbraw/zinc/55/50/20/1182555020.db2.gz KUHSHOVISLZQBP-OAHLLOKOSA-N 1 0 347.419 2.032 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cnn(C)c2C)cc1C ZINC001482254970 1184751147 /nfs/dbraw/zinc/75/11/47/1184751147.db2.gz JKPBHHBCVDOSNW-AWEZNQCLSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cnc(C)cn2)cc1C ZINC001270878308 1185590380 /nfs/dbraw/zinc/59/03/80/1185590380.db2.gz POONRYPVCGTVLG-HNNXBMFYSA-N 1 0 342.443 2.352 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2cnoc2)cc1C ZINC001485911014 1193637176 /nfs/dbraw/zinc/63/71/76/1193637176.db2.gz DKPVGIWTQBEJHA-CQSZACIVSA-N 1 0 331.416 2.171 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)C2)cc1 ZINC001299769578 1194323188 /nfs/dbraw/zinc/32/31/88/1194323188.db2.gz DPYYWOIUPWFHQX-JKSUJKDBSA-N 1 0 333.476 2.226 10 10 EECERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865781373 1198373559 /nfs/dbraw/zinc/37/35/59/1198373559.db2.gz LDOBZNDHWIATRQ-IBGZPJMESA-N 1 0 346.471 2.199 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870949389 1200972166 /nfs/dbraw/zinc/97/21/66/1200972166.db2.gz DFCSHOJJLTZTIQ-UHFFFAOYSA-N 1 0 331.460 2.122 10 10 EECERO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(Br)cc1O ZINC000866496044 1201532594 /nfs/dbraw/zinc/53/25/94/1201532594.db2.gz LXMRBNWFPKNAEK-SNVBAGLBSA-N 1 0 349.232 2.484 10 10 EECERO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1O ZINC000868783479 1201878818 /nfs/dbraw/zinc/87/88/18/1201878818.db2.gz MOICTWIFSPRZFQ-ZFWWWQNUSA-N 1 0 333.432 2.006 10 10 EECERO Oc1ccccc1CN(Cc1[nH]nc2c1COCC2)C[C@@H]1CCCO1 ZINC000929969452 1206523160 /nfs/dbraw/zinc/52/31/60/1206523160.db2.gz AKLACDQHQYDDRS-HNNXBMFYSA-N 1 0 343.427 2.369 10 10 EECERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000246049160 1212013099 /nfs/dbraw/zinc/01/30/99/1212013099.db2.gz PHMCVJLBZIALPL-FDQGKXFDSA-N 1 0 348.443 2.221 10 10 EECERO CCN(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092438323 1214489829 /nfs/dbraw/zinc/48/98/29/1214489829.db2.gz GHEVZHHQYQASQP-UHFFFAOYSA-N 1 0 330.476 2.380 10 10 EECERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000827725699 1248673774 /nfs/dbraw/zinc/67/37/74/1248673774.db2.gz MBLHBODKMYUOMG-ZOBUZTSGSA-N 1 0 331.460 2.089 10 10 EECERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000827544653 1248407245 /nfs/dbraw/zinc/40/72/45/1248407245.db2.gz HHYHIKBVKZZCBG-IPLHWJFFSA-N 1 0 330.476 2.454 10 10 EECERO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000850406180 1277215994 /nfs/dbraw/zinc/21/59/94/1277215994.db2.gz VWILGNUILMQQFE-UHFFFAOYSA-N 1 0 327.428 2.347 10 10 EECERO Nc1ccc(CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000851663074 1277707328 /nfs/dbraw/zinc/70/73/28/1277707328.db2.gz SGOWXKYEQLYEQR-RTBURBONSA-N 1 0 338.455 2.256 10 10 EECERO O=C(NCc1ccccc1O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000851672806 1277712872 /nfs/dbraw/zinc/71/28/72/1277712872.db2.gz GXWQEMUCGITYGI-IAGOWNOFSA-N 1 0 343.402 2.476 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@](C)([NH3+])c3ccccc3)C2)cc1 ZINC000852900107 1292227697 /nfs/dbraw/zinc/22/76/97/1292227697.db2.gz IGHWCLHZNOJEKE-JXFKEZNVSA-N 1 0 339.439 2.264 10 10 EECERO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1(S(C)(=O)=O)CC1 ZINC000858163245 1294028896 /nfs/dbraw/zinc/02/88/96/1294028896.db2.gz BXXBKBVJFCWSLI-SNVBAGLBSA-N 1 0 332.416 2.086 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2c(C)ncn2C)cc1C ZINC001277855197 1304916047 /nfs/dbraw/zinc/91/60/47/1304916047.db2.gz RGTRPXOWMORNIA-AWEZNQCLSA-N 1 0 344.459 2.296 10 10 EECERO C[C@@H]1C[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H](C)C1O ZINC001118658447 1308915720 /nfs/dbraw/zinc/91/57/20/1308915720.db2.gz XSWVWAULGCRZMI-HUUCEWRRSA-N 1 0 335.467 2.026 10 10 EECERO COC(=O)[C@]12C[N@H+](Cc3ccc(N(C)C)cc3C)C[C@H]1COCC2 ZINC000840940721 1315441818 /nfs/dbraw/zinc/44/18/18/1315441818.db2.gz CSFUXZCSXXCSIC-QFBILLFUSA-N 1 0 332.444 2.073 10 10 EECERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc3c(c2)NCC3)cc1 ZINC000841846050 1315622088 /nfs/dbraw/zinc/62/20/88/1315622088.db2.gz JKUIEHGTYMJJMM-GOSISDBHSA-N 1 0 338.455 2.079 10 10 EECERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841975975 1315646363 /nfs/dbraw/zinc/64/63/63/1315646363.db2.gz JYQKDRJONHKUGV-KSSFIOAISA-N 1 0 330.476 2.425 10 10 EECERO COc1cc(Br)cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1O ZINC000843056225 1315831348 /nfs/dbraw/zinc/83/13/48/1315831348.db2.gz WVAIGXWATNRXRB-CYBMUJFWSA-N 1 0 341.249 2.490 10 10 EECERO CN1CCN(c2ccc(C[NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)cc2F)CC1 ZINC001262194549 1322252977 /nfs/dbraw/zinc/25/29/77/1322252977.db2.gz VFBNVYFDGVLEQQ-KSZLIROESA-N 1 0 345.462 2.258 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCn3ccnc3)C2)cc1C ZINC001265489460 1323180633 /nfs/dbraw/zinc/18/06/33/1323180633.db2.gz HIZMYNISQLIPEA-QAQDUYKDSA-N 1 0 342.443 2.027 10 10 EECERO COc1ccc(C[NH2+]CC2(O)CCN(C(=O)C3(C)CC3)CC2)cc1C ZINC001281613793 1325353491 /nfs/dbraw/zinc/35/34/91/1325353491.db2.gz WGURAHIKYAYXHO-UHFFFAOYSA-N 1 0 346.471 2.247 10 10 EECERO CCc1ncoc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317266312 1332158724 /nfs/dbraw/zinc/15/87/24/1332158724.db2.gz PUJQAUKOVCVFMB-CYBMUJFWSA-N 1 0 331.416 2.462 10 10 EECERO CC[C@@H](CNC(=O)c1ncccn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318590409 1332564398 /nfs/dbraw/zinc/56/43/98/1332564398.db2.gz FHENGSLYDKTNGB-HNNXBMFYSA-N 1 0 328.416 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2c[nH]c(C)n2)cc1C ZINC001319437824 1332701418 /nfs/dbraw/zinc/70/14/18/1332701418.db2.gz XAZKHSOIDMKMFE-ZDUSSCGKSA-N 1 0 330.432 2.285 10 10 EECERO COCC1(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)CC1 ZINC001323489935 1333474974 /nfs/dbraw/zinc/47/49/74/1333474974.db2.gz OMBMYBLBNOAZAN-UHFFFAOYSA-N 1 0 332.444 2.169 10 10 EECERO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCOC3(C)C)cc2F)CC1 ZINC001328085086 1334393849 /nfs/dbraw/zinc/39/38/49/1334393849.db2.gz MAXDWXNZBAYVCB-INIZCTEOSA-N 1 0 335.467 2.482 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)C2(C)CCCC2)cc1C ZINC001332553206 1335848009 /nfs/dbraw/zinc/84/80/09/1335848009.db2.gz UGRLEBPIQHAFRT-KRWDZBQOSA-N 1 0 348.487 2.493 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@H]2OC)c1O ZINC000848552831 1338720696 /nfs/dbraw/zinc/72/06/96/1338720696.db2.gz OJQPWLUEKPIJLX-LJUAHTATSA-N 1 0 346.221 2.228 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@H]3CN(C4CC4)C(=O)O3)CC2)cc1 ZINC000848569098 1338723691 /nfs/dbraw/zinc/72/36/91/1338723691.db2.gz BYMLDFYEZSHJID-SFHVURJKSA-N 1 0 345.443 2.237 10 10 EECERO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001632049655 1352592867 /nfs/dbraw/zinc/59/28/67/1352592867.db2.gz NAUPRQFNSSMERK-SFHVURJKSA-N 1 0 333.476 2.464 10 10 EECERO CCOC1CC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001669284238 1356139648 /nfs/dbraw/zinc/13/96/48/1356139648.db2.gz BQAMFRJPVGPHHU-ODIFPOPNSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cnc(C)n2C)cc1C ZINC001674714761 1356881920 /nfs/dbraw/zinc/88/19/20/1356881920.db2.gz CSAKAMHMXUGFOJ-KBPBESRZSA-N 1 0 344.459 2.342 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H](O)CC(C)(C)C)cc2)CC1 ZINC000918852427 769433597 /nfs/dbraw/zinc/43/35/97/769433597.db2.gz NPHNBTAACWVXTJ-SFHVURJKSA-N 1 0 347.503 2.242 10 10 EECERO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000822470249 787222373 /nfs/dbraw/zinc/22/23/73/787222373.db2.gz KPNIBLXTAVXJMX-USXIJHARSA-N 1 0 333.501 2.372 10 10 EECERO CCOCc1cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)ccc1OC ZINC000922993910 788515660 /nfs/dbraw/zinc/51/56/60/788515660.db2.gz PLVWBMUFOGFJFM-OAHLLOKOSA-N 1 0 330.432 2.007 10 10 EECERO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@]2(C)C1 ZINC000913273816 788749325 /nfs/dbraw/zinc/74/93/25/788749325.db2.gz HJXGZLGKFORKEF-IRXDYDNUSA-N 1 0 329.404 2.263 10 10 EECERO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000787278506 807064776 /nfs/dbraw/zinc/06/47/76/807064776.db2.gz FUOLVKZWMNYKCB-DOMZBBRYSA-N 1 0 332.366 2.487 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(O)c3F)cc2)CC1 ZINC001455222736 1108317969 /nfs/dbraw/zinc/31/79/69/1108317969.db2.gz DRLKZYYEXDUXLM-UHFFFAOYSA-N 1 0 343.402 2.213 10 10 EECERO CC[N@H+](C)[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001458718186 1109947422 /nfs/dbraw/zinc/94/74/22/1109947422.db2.gz KLWBIUKPPRESKT-QPBFKRLHSA-N 1 0 333.388 2.311 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C2CCC=CCC2)cc1C ZINC001507259953 1115163321 /nfs/dbraw/zinc/16/33/21/1115163321.db2.gz IKCHLVIGGUGZBU-GOSISDBHSA-N 1 0 346.471 2.317 10 10 EECERO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000527956281 317293040 /nfs/dbraw/zinc/29/30/40/317293040.db2.gz ONRHSPMUJIOPHE-QCZZGDTMSA-N 1 0 330.222 2.345 10 10 EECERO CN(C)c1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121538307 463153099 /nfs/dbraw/zinc/15/30/99/463153099.db2.gz MOISAYPPBAHIAT-UHFFFAOYSA-N 1 0 327.476 2.194 10 10 EECERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929680 464174555 /nfs/dbraw/zinc/17/45/55/464174555.db2.gz SPWKQZDNDWRXGT-OXJNMPFZSA-N 1 0 347.503 2.194 10 10 EECERO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000180079122 464237300 /nfs/dbraw/zinc/23/73/00/464237300.db2.gz ZZZADFODAAMQRK-OAHLLOKOSA-N 1 0 328.416 2.292 10 10 EECERO CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1F ZINC000174442739 464408546 /nfs/dbraw/zinc/40/85/46/464408546.db2.gz QTUOJZJPIQMHID-OAHLLOKOSA-N 1 0 332.423 2.047 10 10 EECERO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000367900553 466553123 /nfs/dbraw/zinc/55/31/23/466553123.db2.gz FPYGWBNJHLGLCL-UHFFFAOYSA-N 1 0 341.411 2.334 10 10 EECERO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1O ZINC000368213508 466588937 /nfs/dbraw/zinc/58/89/37/466588937.db2.gz URLXBABRIYHWJE-ABAIWWIYSA-N 1 0 338.835 2.476 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000237264702 536672800 /nfs/dbraw/zinc/67/28/00/536672800.db2.gz FRLFGZKUGPKUED-JKSUJKDBSA-N 1 0 331.460 2.251 10 10 EECERO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734851334 577330339 /nfs/dbraw/zinc/33/03/39/577330339.db2.gz ZRAONIPVPNZBDU-IBGZPJMESA-N 1 0 342.439 2.355 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 ZINC000775832787 577446840 /nfs/dbraw/zinc/44/68/40/577446840.db2.gz BWDOGXGIGHMNLJ-GJZGRUSLSA-N 1 0 339.505 2.075 10 10 EECERO COc1cccc(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1O ZINC000745807364 577918934 /nfs/dbraw/zinc/91/89/34/577918934.db2.gz BEFRRJTYVIQJFT-OKILXGFUSA-N 1 0 335.448 2.463 10 10 EECERO CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000741092106 578112889 /nfs/dbraw/zinc/11/28/89/578112889.db2.gz VESPCDLORGBTIX-LJQANCHMSA-N 1 0 340.471 2.441 10 10 EECERO COC(=O)c1c(C[N@@H+]2CCC3(COC3)C2)c2cc(F)ccc2n1C ZINC000895335500 684504431 /nfs/dbraw/zinc/50/44/31/684504431.db2.gz OTDUSFPBIIPEKA-UHFFFAOYSA-N 1 0 332.375 2.326 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccc(=O)[nH]c2)cc1C ZINC001267153418 1178334622 /nfs/dbraw/zinc/33/46/22/1178334622.db2.gz IPIHOHVRDCXQGW-CQSZACIVSA-N 1 0 343.427 2.402 10 10 EECERO CC[C@@H](CNC(=O)c1cc(OC)no1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267799545 1180547513 /nfs/dbraw/zinc/54/75/13/1180547513.db2.gz MFRFIUKVGJVCBG-AWEZNQCLSA-N 1 0 347.415 2.298 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2=CCOCC2)cc1C ZINC001482099191 1183328828 /nfs/dbraw/zinc/32/88/28/1183328828.db2.gz YEDBMEHWDIYDEZ-AWEZNQCLSA-N 1 0 332.444 2.192 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCO[C@H]2C)cc1C ZINC001268893611 1183797642 /nfs/dbraw/zinc/79/76/42/1183797642.db2.gz CREXNWDEYXCZKO-RDJZCZTQSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@]2(C)CCOC2)cc1C ZINC001482883022 1187807834 /nfs/dbraw/zinc/80/78/34/1187807834.db2.gz BDLDPQONSFAUDZ-DNVCBOLYSA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@]23CCOC3)cc1C ZINC001483080028 1188441092 /nfs/dbraw/zinc/44/10/92/1188441092.db2.gz KANWFRJCTURVOG-LADOFLMKSA-N 1 0 344.455 2.192 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2cc(C)on2)cc1C ZINC001483458363 1190485303 /nfs/dbraw/zinc/48/53/03/1190485303.db2.gz GNZMCWBLPGDZPR-UHFFFAOYSA-N 1 0 345.443 2.481 10 10 EECERO COc1nc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001485178361 1191678244 /nfs/dbraw/zinc/67/82/44/1191678244.db2.gz UQJBKGONKREFJP-STQMWFEESA-N 1 0 347.415 2.297 10 10 EECERO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C)cc1O ZINC000794810883 1198067291 /nfs/dbraw/zinc/06/72/91/1198067291.db2.gz NFXXPHPJHRRVSK-OAHLLOKOSA-N 1 0 326.462 2.167 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2[nH]cnc2C)cc1C ZINC001275554987 1205409847 /nfs/dbraw/zinc/40/98/47/1205409847.db2.gz ZTUCMGRPQJQHNW-ZIAGYGMSSA-N 1 0 344.459 2.261 10 10 EECERO C[C@H]([NH2+]C[C@H](O)CCC1(O)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930209861 1206541523 /nfs/dbraw/zinc/54/15/23/1206541523.db2.gz JMBRXXGBSOFPQK-QFBILLFUSA-N 1 0 348.487 2.230 10 10 EECERO C[C@H]([NH2+]Cc1[nH]nc2c1COCC2)c1ccc(N2CCOCC2)cc1 ZINC000930212154 1206541690 /nfs/dbraw/zinc/54/16/90/1206541690.db2.gz YTMLHWJAMTXKCK-AWEZNQCLSA-N 1 0 342.443 2.170 10 10 EECERO Cc1ccc(O)c(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000093078093 1214760534 /nfs/dbraw/zinc/76/05/34/1214760534.db2.gz UBKRTKYQJDRSIM-INIZCTEOSA-N 1 0 345.487 2.266 10 10 EECERO [NH3+]C1CCC(OCC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000827004587 1249098265 /nfs/dbraw/zinc/09/82/65/1249098265.db2.gz LEPKTJOHDOKGLC-UHFFFAOYSA-N 1 0 331.460 2.190 10 10 EECERO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)cc2)CC1 ZINC000827680401 1248637451 /nfs/dbraw/zinc/63/74/51/1248637451.db2.gz SAXKRMAXZBJZOF-DOTOQJQBSA-N 1 0 345.487 2.388 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCc2ccon2)cc1C ZINC001491528680 1259179757 /nfs/dbraw/zinc/17/97/57/1259179757.db2.gz NMJGPDJCHUVQDT-CQSZACIVSA-N 1 0 331.416 2.219 10 10 EECERO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000850509567 1277254287 /nfs/dbraw/zinc/25/42/87/1277254287.db2.gz RUEVUTPYKUKKQE-IFXJQAMLSA-N 1 0 335.444 2.090 10 10 EECERO C[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Br)CS1(=O)=O ZINC000858189521 1294038316 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Cc1cc(O)c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000840919649 1315435949 /nfs/dbraw/zinc/43/59/49/1315435949.db2.gz MRAYQIIDTMDKPB-UHFFFAOYSA-N 1 0 346.880 2.210 10 10 EECERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCc1ccc(N)cc1 ZINC000841726044 1315603988 /nfs/dbraw/zinc/60/39/88/1315603988.db2.gz QBHRFGKEODQCSC-LJQANCHMSA-N 1 0 340.471 2.283 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1F ZINC000841798957 1315615071 /nfs/dbraw/zinc/61/50/71/1315615071.db2.gz OEYSGGUXDOUWCQ-XJKSGUPXSA-N 1 0 336.455 2.469 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841832805 1315620201 /nfs/dbraw/zinc/62/02/01/1315620201.db2.gz UFCFTYPLZRXSGF-HXUWFJFHSA-N 1 0 340.471 2.348 10 10 EECERO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccc3c(c2)NCC3)cc1 ZINC000841846053 1315622213 /nfs/dbraw/zinc/62/22/13/1315622213.db2.gz JKUIEHGTYMJJMM-SFHVURJKSA-N 1 0 338.455 2.079 10 10 EECERO CNC(=O)[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccc(OC)c(F)c1 ZINC000842718621 1315760389 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CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc[nH]c(=O)c1 ZINC001320712371 1332938834 /nfs/dbraw/zinc/93/88/34/1332938834.db2.gz LRHBDMFBYXSASX-UHFFFAOYSA-N 1 0 343.427 2.356 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cncnc2C)cc1C ZINC001321800002 1333160265 /nfs/dbraw/zinc/16/02/65/1333160265.db2.gz IHRSLUUBIQXHMU-ZDUSSCGKSA-N 1 0 328.416 2.010 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1C ZINC001331628177 1335048434 /nfs/dbraw/zinc/04/84/34/1335048434.db2.gz LUNQZNPYQGUUNW-AWEZNQCLSA-N 1 0 343.427 2.355 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C[C@H]2C=CCCC2)cc1C ZINC001331738792 1335065393 /nfs/dbraw/zinc/06/53/93/1335065393.db2.gz IZARDDTWJRXTLG-WMZOPIPTSA-N 1 0 346.471 2.317 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCF)C2)cc1 ZINC001332342820 1335806886 /nfs/dbraw/zinc/80/68/86/1335806886.db2.gz WMNWXEALTVCVDO-RISCZKNCSA-N 1 0 335.383 2.307 10 10 EECERO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCCC4)cc2F)CC1 ZINC001332358655 1335809441 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10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cn2cc(C)cn2)cc1C ZINC001667992611 1355842248 /nfs/dbraw/zinc/84/22/48/1355842248.db2.gz APJIVXYLMILZAE-MRXNPFEDSA-N 1 0 344.459 2.193 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(F)CC1 ZINC000843569408 759698816 /nfs/dbraw/zinc/69/88/16/759698816.db2.gz SELYBQZEVBETKM-UHFFFAOYSA-N 1 0 331.435 2.337 10 10 EECERO Cc1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000920182290 770610021 /nfs/dbraw/zinc/61/00/21/770610021.db2.gz NHTPDIICBZDLAF-UHFFFAOYSA-N 1 0 330.407 2.175 10 10 EECERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816599855 784145631 /nfs/dbraw/zinc/14/56/31/784145631.db2.gz BEGYLLKOIMJOBG-RHSMWYFYSA-N 1 0 348.468 2.353 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)cc1 ZINC000912292657 788090052 /nfs/dbraw/zinc/09/00/52/788090052.db2.gz ODJZQGMEWJZWHB-KVSKMBFKSA-N 1 0 343.471 2.407 10 10 EECERO CCO[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000922055254 798770932 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CN(C)c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1F ZINC000274771317 464754042 /nfs/dbraw/zinc/75/40/42/464754042.db2.gz IPVHOJXQVWNZMR-UHFFFAOYSA-N 1 0 344.434 2.413 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000369153334 466716308 /nfs/dbraw/zinc/71/63/08/466716308.db2.gz DZPKREPVXFMJJB-HOTGVXAUSA-N 1 0 331.460 2.122 10 10 EECERO COc1ccc(O)c(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000378558159 467340713 /nfs/dbraw/zinc/34/07/13/467340713.db2.gz GDEOAPQJCFUIDZ-UHFFFAOYSA-N 1 0 328.416 2.292 10 10 EECERO COc1cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c(O)cc1C ZINC000530106135 467950994 /nfs/dbraw/zinc/95/09/94/467950994.db2.gz VIRILSVEDJMZEA-UHFFFAOYSA-N 1 0 334.460 2.396 10 10 EECERO COc1ccc(N2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)cc1F ZINC000084963939 534012746 /nfs/dbraw/zinc/01/27/46/534012746.db2.gz HATPQTMQHRSXRP-OAHLLOKOSA-N 1 0 340.439 2.132 10 10 EECERO CN1CCCc2cc(C[NH2+]CCN3C(=O)c4ccccc4C3=O)ccc21 ZINC000727644426 576442053 /nfs/dbraw/zinc/44/20/53/576442053.db2.gz FAFWJQQXKZQZEP-UHFFFAOYSA-N 1 0 349.434 2.455 10 10 EECERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c2c1c(F)ccc2O ZINC000756737718 577849640 /nfs/dbraw/zinc/84/96/40/577849640.db2.gz YJYIRSWBZOGXKY-DFBGVHRSSA-N 1 0 348.418 2.449 10 10 EECERO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@@H]1CCCCO1 ZINC001267233563 1178560258 /nfs/dbraw/zinc/56/02/58/1178560258.db2.gz QIHGRZNPLNHPBE-HNNXBMFYSA-N 1 0 347.419 2.080 10 10 EECERO CCc1cc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)n(C)n1 ZINC001267445092 1179020219 /nfs/dbraw/zinc/02/02/19/1179020219.db2.gz UXSYGFZFDLZMHX-UHFFFAOYSA-N 1 0 344.459 2.161 10 10 EECERO COCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267972191 1180890073 /nfs/dbraw/zinc/89/00/73/1180890073.db2.gz WSPSIKLTCBMCEK-OAHLLOKOSA-N 1 0 347.419 2.080 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CCCO2)C(C)C)cc1C ZINC001271808610 1186509134 /nfs/dbraw/zinc/50/91/34/1186509134.db2.gz JKBMENSPQMVMRC-SJLPKXTDSA-N 1 0 334.460 2.413 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1snnc1C ZINC001482911915 1187837937 /nfs/dbraw/zinc/83/79/37/1187837937.db2.gz UIBIDVZLOVFKTB-UHFFFAOYSA-N 1 0 348.472 2.415 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2=COCCC2)cc1C ZINC001482987131 1187943574 /nfs/dbraw/zinc/94/35/74/1187943574.db2.gz FUOPDNVQLYSZON-ARJAWSKDSA-N 1 0 330.428 2.460 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCO[C@H]2C)cc1C ZINC001483076656 1188436562 /nfs/dbraw/zinc/43/65/62/1188436562.db2.gz FPSIAJZMZLJYRF-PQAMPZAHSA-N 1 0 332.444 2.191 10 10 EECERO COc1cc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c(O)cc1C ZINC000905702409 1189872956 /nfs/dbraw/zinc/87/29/56/1189872956.db2.gz VXIIVOFQXIXSCL-KBXCAEBGSA-N 1 0 334.416 2.420 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C(C)=C2CCC2)cc1C ZINC001485994532 1193662904 /nfs/dbraw/zinc/66/29/04/1193662904.db2.gz GDXBEZJQTWZNCF-KRWDZBQOSA-N 1 0 332.444 2.071 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000872199423 1198081447 /nfs/dbraw/zinc/08/14/47/1198081447.db2.gz NMOPEHSXQXWLFU-RYGJVYDSSA-N 1 0 348.487 2.086 10 10 EECERO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000865737698 1198352874 /nfs/dbraw/zinc/35/28/74/1198352874.db2.gz CCRNOUOWKKQCGG-MGPUTAFESA-N 1 0 326.440 2.081 10 10 EECERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@H](O)C1 ZINC000866494984 1201531561 /nfs/dbraw/zinc/53/15/61/1201531561.db2.gz KRJBHOUHHQUEAV-SQWLQELKSA-N 1 0 348.443 2.339 10 10 EECERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000778165560 1207760162 /nfs/dbraw/zinc/76/01/62/1207760162.db2.gz SGZJUZRHNKOQFL-INIZCTEOSA-N 1 0 347.484 2.062 10 10 EECERO CO[C@H](C[NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000826822456 1248085173 /nfs/dbraw/zinc/08/51/73/1248085173.db2.gz UGLXLOBWPMCWOA-BXUZGUMPSA-N 1 0 330.222 2.296 10 10 EECERO COc1cc(O)c(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1OC ZINC000826904292 1248117029 /nfs/dbraw/zinc/11/70/29/1248117029.db2.gz ZOCKBTVVIFXSSJ-AEGPPILISA-N 1 0 339.432 2.065 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)C3([NH3+])CC4(CCC4)C3)C2)cc1 ZINC000851641004 1277697715 /nfs/dbraw/zinc/69/77/15/1277697715.db2.gz INFVIECXLQLLKN-OAHLLOKOSA-N 1 0 343.471 2.299 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCC[NH3+])C2)cc1 ZINC000851667344 1277709543 /nfs/dbraw/zinc/70/95/43/1277709543.db2.gz NVCVAERIUZEQGT-GJZGRUSLSA-N 1 0 334.464 2.091 10 10 EECERO CC(=O)c1cc(F)cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000852760570 1292189544 /nfs/dbraw/zinc/18/95/44/1292189544.db2.gz ITXQWQVYPRZNFR-INIZCTEOSA-N 1 0 338.423 2.277 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@H]([NH3+])c3ccc(C)cc3)C2)cc1 ZINC000852900867 1292227507 /nfs/dbraw/zinc/22/75/07/1292227507.db2.gz UIGWIIMQXYPZHC-VQIMIIECSA-N 1 0 339.439 2.399 10 10 EECERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854300471 1292711176 /nfs/dbraw/zinc/71/11/76/1292711176.db2.gz UEUIYVZQUBVTLE-MRXNPFEDSA-N 1 0 346.475 2.011 10 10 EECERO COc1cncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000859229747 1294356091 /nfs/dbraw/zinc/35/60/91/1294356091.db2.gz LWIAPXOIEJYLOJ-AWEZNQCLSA-N 1 0 328.416 2.173 10 10 EECERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1c(O)cccc1Br ZINC000862387369 1295820165 /nfs/dbraw/zinc/82/01/65/1295820165.db2.gz KPPMGDYYCKYLPG-ZWNOBZJWSA-N 1 0 330.222 2.126 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cncnc2)cc1C ZINC001277171828 1301638804 /nfs/dbraw/zinc/63/88/04/1301638804.db2.gz RAGYGGYSVFKRPG-OAHLLOKOSA-N 1 0 342.443 2.482 10 10 EECERO COCC(COC)[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000840954043 1315445081 /nfs/dbraw/zinc/44/50/81/1315445081.db2.gz FUXXKPIZQOQUDK-AATRIKPKSA-N 1 0 347.503 2.045 10 10 EECERO C[C@]1(F)CNCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709432 1315601772 /nfs/dbraw/zinc/60/17/72/1315601772.db2.gz FXEZOFIINBAFFF-SFHVURJKSA-N 1 0 334.439 2.130 10 10 EECERO Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841826172 1315619035 /nfs/dbraw/zinc/61/90/35/1315619035.db2.gz DQKGRUZPUSWVBL-BYICEURKSA-N 1 0 330.476 2.485 10 10 EECERO C[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@]1(C)C[NH3+] ZINC000841857262 1315625232 /nfs/dbraw/zinc/62/52/32/1315625232.db2.gz SOZMKFVIDFZGDL-KZULUSFZSA-N 1 0 344.484 2.373 10 10 EECERO CCC(CC)CS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785145 1315773421 /nfs/dbraw/zinc/77/34/21/1315773421.db2.gz QEENGELYEGLEHT-MRXNPFEDSA-N 1 0 327.494 2.108 10 10 EECERO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000843349976 1315896537 /nfs/dbraw/zinc/89/65/37/1315896537.db2.gz GRDXJEOQVDIVIW-RTBURBONSA-N 1 0 343.471 2.068 10 10 EECERO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000843349969 1315896871 /nfs/dbraw/zinc/89/68/71/1315896871.db2.gz GRDXJEOQVDIVIW-MOPGFXCFSA-N 1 0 343.471 2.068 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CCOC2)cc1C ZINC001321016030 1332998998 /nfs/dbraw/zinc/99/89/98/1332998998.db2.gz XCAIBIWVXOGEPA-CWIOURORSA-N 1 0 332.444 2.192 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCOC[C@H]2C)cc1C ZINC001321235755 1333051476 /nfs/dbraw/zinc/05/14/76/1333051476.db2.gz LLQRMOQWUVKECK-ZFTGLFDFSA-N 1 0 346.471 2.438 10 10 EECERO COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3[NH3+])CC2)cc1F ZINC001326687722 1334143230 /nfs/dbraw/zinc/14/32/30/1334143230.db2.gz KGFKQFNSHPPTOY-GOEBONIOSA-N 1 0 335.423 2.000 10 10 EECERO C[C@@H](O)CCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001331647643 1335051232 /nfs/dbraw/zinc/05/12/32/1335051232.db2.gz NGWWYOWCQPPMAX-QWHCGFSZSA-N 1 0 349.435 2.060 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)cc1 ZINC001332686256 1335882288 /nfs/dbraw/zinc/88/22/88/1335882288.db2.gz TUIXDVXZHGSWAJ-ZYSHUDEJSA-N 1 0 332.444 2.011 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](OC)C3CC3)CC2)cc1C ZINC001569398262 1342864759 /nfs/dbraw/zinc/86/47/59/1342864759.db2.gz WILVIYHODRHTTE-KRWDZBQOSA-N 1 0 332.444 2.167 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cn3c(n2)CCC3)cc1C ZINC001663942810 1355058172 /nfs/dbraw/zinc/05/81/72/1355058172.db2.gz YFACFYXDOHGCQF-UHFFFAOYSA-N 1 0 342.443 2.008 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)n3cccn3)CC2)cc1C ZINC001699644409 1405428751 /nfs/dbraw/zinc/42/87/51/1405428751.db2.gz DCXXMEWUJYYPHR-OAHLLOKOSA-N 1 0 342.443 2.200 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@](C)(O)C3CC3)CC2)cc1C ZINC001699649174 1405429644 /nfs/dbraw/zinc/42/96/44/1405429644.db2.gz RFPOLNFVBZXNDM-IBGZPJMESA-N 1 0 346.471 2.293 10 10 EECERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)[C@@H]1n1cccn1 ZINC000816672831 784184295 /nfs/dbraw/zinc/18/42/95/784184295.db2.gz LKZYHZFAKBTPDT-XWIAVFTESA-N 1 0 347.415 2.114 10 10 EECERO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3ccc(F)cn3)C2)cc1 ZINC000819381518 785541743 /nfs/dbraw/zinc/54/17/43/785541743.db2.gz XXWFZHMHEXIQLI-AUUYWEPGSA-N 1 0 345.418 2.379 10 10 EECERO O=C1[C@H]([NH2+]Cc2cc(Br)ccc2O)CCN1C1CCC1 ZINC000708660678 786837659 /nfs/dbraw/zinc/83/76/59/786837659.db2.gz GKUAAYLTBLQENM-CYBMUJFWSA-N 1 0 339.233 2.398 10 10 EECERO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000922996137 788523004 /nfs/dbraw/zinc/52/30/04/788523004.db2.gz JVORJSWCNKUQKM-MRXNPFEDSA-N 1 0 325.460 2.453 10 10 EECERO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825297767 788555658 /nfs/dbraw/zinc/55/56/58/788555658.db2.gz MYNPXMKABTWSIP-CABZTGNLSA-N 1 0 327.222 2.288 10 10 EECERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000793608577 810435655 /nfs/dbraw/zinc/43/56/55/810435655.db2.gz IESUNJRESXVGRE-IBGZPJMESA-N 1 0 345.487 2.404 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[C@H]2CCOC2)cc1C ZINC001495633892 1101362763 /nfs/dbraw/zinc/36/27/63/1101362763.db2.gz ILVRGXRMIONDPM-WMLDXEAASA-N 1 0 334.460 2.272 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1CC(OC)C1 ZINC001497408830 1102445068 /nfs/dbraw/zinc/44/50/68/1102445068.db2.gz OUEUTFANBOKANZ-UHFFFAOYSA-N 1 0 334.460 2.367 10 10 EECERO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2ccc(O)c(O)c2)o1 ZINC001544756016 1124166243 /nfs/dbraw/zinc/16/62/43/1124166243.db2.gz XHRXEKIHRRWFMP-UHFFFAOYSA-N 1 0 332.400 2.132 10 10 EECERO CC(C)c1ncc2c(n1)CCN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000527614494 317230337 /nfs/dbraw/zinc/23/03/37/317230337.db2.gz BHJWMBWWEHTTPQ-KRWDZBQOSA-N 1 0 341.411 2.290 10 10 EECERO CCN(CC)c1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000273119755 464705616 /nfs/dbraw/zinc/70/56/16/464705616.db2.gz SHLGJWBAWMEBNJ-INIZCTEOSA-N 1 0 333.476 2.117 10 10 EECERO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000367689990 466492500 /nfs/dbraw/zinc/49/25/00/466492500.db2.gz SSRGPFAIYLWMAW-KRFUXDQASA-N 1 0 328.456 2.378 10 10 EECERO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@]2(CCOC2)O1 ZINC000373477753 466817340 /nfs/dbraw/zinc/81/73/40/466817340.db2.gz BLGQVKKKEWBQIB-KDOFPFPSSA-N 1 0 337.416 2.179 10 10 EECERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000772981050 577308833 /nfs/dbraw/zinc/30/88/33/577308833.db2.gz BFVIVHYHBZHLEU-VQCLRJIVSA-N 1 0 349.450 2.357 10 10 EECERO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(F)ccc1O ZINC000757655799 577861935 /nfs/dbraw/zinc/86/19/35/577861935.db2.gz LBOCACOYLKVTTQ-DOMZBBRYSA-N 1 0 346.406 2.107 10 10 EECERO COc1cc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c(O)cc1C ZINC000160262899 675212413 /nfs/dbraw/zinc/21/24/13/675212413.db2.gz XSPPBOWOFOMNPC-QGZVFWFLSA-N 1 0 345.443 2.424 10 10 EECERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1ccc(Cl)cc1 ZINC000262323790 685352229 /nfs/dbraw/zinc/35/22/29/685352229.db2.gz ROGHPJQBTZZKSB-GUYCJALGSA-N 1 0 347.846 2.058 10 10 EECERO CC[C@H](OC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691135059 1177623914 /nfs/dbraw/zinc/62/39/14/1177623914.db2.gz DKGPBTAOKWDNLU-ULQDDVLXSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)C2(C)CCOCC2)cc1C ZINC001266898057 1177751509 /nfs/dbraw/zinc/75/15/09/1177751509.db2.gz YDNNEVIEEKDKOA-UHFFFAOYSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cn2cncc2C)cc1C ZINC001268383272 1182413052 /nfs/dbraw/zinc/41/30/52/1182413052.db2.gz KMJWATKAAMFXOM-HNNXBMFYSA-N 1 0 344.459 2.193 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2csc(=O)[nH]2)cc1C ZINC001482319535 1185335296 /nfs/dbraw/zinc/33/52/96/1185335296.db2.gz AAPNBDDWULODEY-GFCCVEGCSA-N 1 0 349.456 2.416 10 10 EECERO COCC1(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001271036880 1185832033 /nfs/dbraw/zinc/83/20/33/1185832033.db2.gz XZFSJSBKYBZDOY-HNNXBMFYSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]CC=CCNC(=O)c2cc(C)n[nH]2)cc1C ZINC001482989693 1187963988 /nfs/dbraw/zinc/96/39/88/1187963988.db2.gz OHPMGIONSKRCTC-PLNGDYQASA-N 1 0 328.416 2.111 10 10 EECERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)c3cnon3)C2)cc1C ZINC001272598749 1190913450 /nfs/dbraw/zinc/91/34/50/1190913450.db2.gz JWXHCIUVCBBUFG-AWEZNQCLSA-N 1 0 344.415 2.029 10 10 EECERO CCC1([NH+](C)C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000866059500 1201418281 /nfs/dbraw/zinc/41/82/81/1201418281.db2.gz PEBUDGAJASZLIS-UHFFFAOYSA-N 1 0 348.403 2.236 10 10 EECERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)cc1 ZINC000866523704 1201540603 /nfs/dbraw/zinc/54/06/03/1201540603.db2.gz GAOACOXGXDPLHV-KSSFIOAISA-N 1 0 333.432 2.015 10 10 EECERO CCN(CC(F)(F)F)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000866659571 1201572612 /nfs/dbraw/zinc/57/26/12/1201572612.db2.gz NZOVTXYXIOGTBR-UHFFFAOYSA-N 1 0 329.366 2.309 10 10 EECERO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC[N@@H+]1C ZINC000868955667 1201911612 /nfs/dbraw/zinc/91/16/12/1201911612.db2.gz NVPOHASQWLJFSV-ZYSHUDEJSA-N 1 0 345.487 2.368 10 10 EECERO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CCS(=O)(=O)C1 ZINC000903364411 1240317058 /nfs/dbraw/zinc/31/70/58/1240317058.db2.gz WAUJGCQGFRUOJJ-XHDPSFHLSA-N 1 0 347.864 2.208 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](OC)C2CCC2)cc1C ZINC001491538906 1259190471 /nfs/dbraw/zinc/19/04/71/1259190471.db2.gz FWLOQMZUOYDOSS-RDTXWAMCSA-N 1 0 334.460 2.413 10 10 EECERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000850072554 1277017558 /nfs/dbraw/zinc/01/75/58/1277017558.db2.gz BLLOVVOGHAWLJH-ZOCIIQOWSA-N 1 0 346.471 2.183 10 10 EECERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3(OC)CCOCC3)C2)cc1 ZINC000850489215 1277241643 /nfs/dbraw/zinc/24/16/43/1277241643.db2.gz WMWFORGMPIWUNE-CVEARBPZSA-N 1 0 334.460 2.448 10 10 EECERO Nc1ccc(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000850751615 1277325684 /nfs/dbraw/zinc/32/56/84/1277325684.db2.gz DNGFUEDVZACCTG-UHFFFAOYSA-N 1 0 332.448 2.281 10 10 EECERO COc1ccc(N2CC[NH+](C[C@@H](OC)[C@H]3CCOC3)CC2)cc1F ZINC000851807824 1291851751 /nfs/dbraw/zinc/85/17/51/1291851751.db2.gz JRSVMFIDBDNWQQ-KBXCAEBGSA-N 1 0 338.423 2.008 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)cc1 ZINC000852899627 1292228318 /nfs/dbraw/zinc/22/83/18/1292228318.db2.gz AXKATQYQHZLBTF-PDWMJMLSSA-N 1 0 343.471 2.311 10 10 EECERO COc1cc(Br)cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863485050 1296301980 /nfs/dbraw/zinc/30/19/80/1296301980.db2.gz SIOWBBDIRSHBSO-JOYOIKCWSA-N 1 0 329.238 2.393 10 10 EECERO COc1cc(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)on1 ZINC001277043549 1300994140 /nfs/dbraw/zinc/99/41/40/1300994140.db2.gz PIWNCSHHWNFEJG-UHFFFAOYSA-N 1 0 345.399 2.052 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@H](OC)[C@@H]3CCOC3)CC2)cc1 ZINC001118496015 1308868168 /nfs/dbraw/zinc/86/81/68/1308868168.db2.gz KVTWHKFJLGIDJL-APWZRJJASA-N 1 0 334.460 2.259 10 10 EECERO C[C@H]1C[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H](C)C1O ZINC001118658446 1308915432 /nfs/dbraw/zinc/91/54/32/1308915432.db2.gz XSWVWAULGCRZMI-GJZGRUSLSA-N 1 0 335.467 2.026 10 10 EECERO CCOc1cccc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)c1O ZINC000840977397 1315450519 /nfs/dbraw/zinc/45/05/19/1315450519.db2.gz KMMYPEQSZDHXPX-CYBMUJFWSA-N 1 0 325.430 2.129 10 10 EECERO COc1cccc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1O ZINC000841961858 1315644825 /nfs/dbraw/zinc/64/48/25/1315644825.db2.gz HZJQQGBZSKMTNO-LBPRGKRZSA-N 1 0 329.400 2.420 10 10 EECERO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000841981248 1315647190 /nfs/dbraw/zinc/64/71/90/1315647190.db2.gz XAOLZRNBLYFBSL-NEPJUHHUSA-N 1 0 342.237 2.224 10 10 EECERO CCc1nccn1[C@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843296558 1315883774 /nfs/dbraw/zinc/88/37/74/1315883774.db2.gz AXLOVFJBBVXOKN-RHSMWYFYSA-N 1 0 343.475 2.279 10 10 EECERO Cc1cc(C(=O)CN(C)CCC[NH3+])c(C)n1-c1ccc2c(c1)OCO2 ZINC000843351218 1315896846 /nfs/dbraw/zinc/89/68/46/1315896846.db2.gz LBYXWWHRXOFJER-UHFFFAOYSA-N 1 0 343.427 2.286 10 10 EECERO CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001265319968 1323068564 /nfs/dbraw/zinc/06/85/64/1323068564.db2.gz VNERQKVZTCBCJB-OAHLLOKOSA-N 1 0 347.419 2.078 10 10 EECERO CCc1oncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265833012 1323410277 /nfs/dbraw/zinc/41/02/77/1323410277.db2.gz VJIUOQXDOOMQPA-CYBMUJFWSA-N 1 0 331.416 2.462 10 10 EECERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001294756367 1329138336 /nfs/dbraw/zinc/13/83/36/1329138336.db2.gz VPJIWYVDPWYMIJ-KRWDZBQOSA-N 1 0 345.487 2.466 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(C)n[nH]2)cc1C ZINC001331393724 1335007442 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[O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000295276735 464772120 /nfs/dbraw/zinc/77/21/20/464772120.db2.gz IBIRENYDDVCVGN-GFCCVEGCSA-N 1 0 328.815 2.339 10 10 EECERO CN(C)c1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000372468983 466403009 /nfs/dbraw/zinc/40/30/09/466403009.db2.gz PURSCZGSYFVFDK-IYJAJMOOSA-N 1 0 349.450 2.040 10 10 EECERO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1F ZINC000368041855 466571239 /nfs/dbraw/zinc/57/12/39/466571239.db2.gz MBBQBUFAJAAVCT-AWEZNQCLSA-N 1 0 329.423 2.644 10 10 EECERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000774688905 577411207 /nfs/dbraw/zinc/41/12/07/577411207.db2.gz LBWMFTXKBKRXGH-CABCVRRESA-N 1 0 337.416 2.252 10 10 EECERO CCn1nc2c(cc1=O)C[N@@H+](Cc1c(O)cc(C)cc1Cl)CC2 ZINC000840915851 684865739 /nfs/dbraw/zinc/86/57/39/684865739.db2.gz FWFAJKYHOCRIRN-UHFFFAOYSA-N 1 0 333.819 2.489 10 10 EECERO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC000898013141 691851081 /nfs/dbraw/zinc/85/10/81/691851081.db2.gz QNGHUBYIWYRBRD-CMPLNLGQSA-N 1 0 332.425 2.479 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)C1CCCC1)cc2=O ZINC000184621020 1192030868 /nfs/dbraw/zinc/03/08/68/1192030868.db2.gz WUDARVBOSNMSGV-LLVKDONJSA-N 1 0 332.404 2.280 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1cnoc1 ZINC001268472690 1182855885 /nfs/dbraw/zinc/85/58/85/1182855885.db2.gz ABQSMDQGLSIGQQ-UHFFFAOYSA-N 1 0 331.416 2.172 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCOC2)C(C)C)cc1C ZINC001271816400 1186515736 /nfs/dbraw/zinc/51/57/36/1186515736.db2.gz YJXXBBRDQRZCPS-IAGOWNOFSA-N 1 0 334.460 2.271 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2=COCCC2)cc1C ZINC001482987132 1187943744 /nfs/dbraw/zinc/94/37/44/1187943744.db2.gz FUOPDNVQLYSZON-ONEGZZNKSA-N 1 0 330.428 2.460 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(C)nn2C)cc1C ZINC001485851029 1193616176 /nfs/dbraw/zinc/61/61/76/1193616176.db2.gz COCCTMYCLQYRDA-HNNXBMFYSA-N 1 0 344.459 2.296 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CCCF)cc1 ZINC001671388826 1190601863 /nfs/dbraw/zinc/60/18/63/1190601863.db2.gz FAHVUQUWLIEEDH-CQSZACIVSA-N 1 0 335.383 2.403 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3n[nH]cc3F)CCC2)cc1C ZINC001484650511 1191455690 /nfs/dbraw/zinc/45/56/90/1191455690.db2.gz XDTHSGVJRXRNNM-UHFFFAOYSA-N 1 0 346.406 2.308 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3cnoc3)CCC2)cc1C ZINC001273141461 1196775485 /nfs/dbraw/zinc/77/54/85/1196775485.db2.gz MXPUVDVINVQIDK-UHFFFAOYSA-N 1 0 343.427 2.363 10 10 EECERO CC(=O)c1cc(F)cc(C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c1O ZINC000879490079 1201099115 /nfs/dbraw/zinc/09/91/15/1201099115.db2.gz VKNXMAKHBGPQNX-INIZCTEOSA-N 1 0 334.391 2.210 10 10 EECERO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nncn1C ZINC000796454045 1218249400 /nfs/dbraw/zinc/24/94/00/1218249400.db2.gz NZUAVWFGKYMBJI-KRWDZBQOSA-N 1 0 329.448 2.139 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](OC)C2CCC2)cc1C ZINC001491538900 1259190290 /nfs/dbraw/zinc/19/02/90/1259190290.db2.gz FWLOQMZUOYDOSS-KBXCAEBGSA-N 1 0 334.460 2.413 10 10 EECERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000850072552 1277017002 /nfs/dbraw/zinc/01/70/02/1277017002.db2.gz BLLOVVOGHAWLJH-MDASCCDHSA-N 1 0 346.471 2.183 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000852843791 1292213254 /nfs/dbraw/zinc/21/32/54/1292213254.db2.gz HHOHNORXZLULDD-NPYXIHBLSA-N 1 0 343.471 2.311 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cc1 ZINC000855233007 1293122036 /nfs/dbraw/zinc/12/20/36/1293122036.db2.gz DHYMPQMBBABVKR-MRXNPFEDSA-N 1 0 331.460 2.122 10 10 EECERO CN(C)c1ccc(/C=C/CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000843121329 1315848031 /nfs/dbraw/zinc/84/80/31/1315848031.db2.gz DMFSHNGJVIOOQW-SHCNBLLESA-N 1 0 325.460 2.146 10 10 EECERO CCn1cnc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001265850250 1323424982 /nfs/dbraw/zinc/42/49/82/1323424982.db2.gz BYIOIYHOFTZVGB-CQSZACIVSA-N 1 0 330.432 2.128 10 10 EECERO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC001324848694 1333772620 /nfs/dbraw/zinc/77/26/20/1333772620.db2.gz GNSNWQNLJAREJS-ITKZLYELSA-N 1 0 329.366 2.422 10 10 EECERO CCC(C)(C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001326297218 1334062054 /nfs/dbraw/zinc/06/20/54/1334062054.db2.gz JHKNOSRVQRAHAX-KRWDZBQOSA-N 1 0 333.476 2.417 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC001329174035 1334600544 /nfs/dbraw/zinc/60/05/44/1334600544.db2.gz RQLMYVQDMJVOTN-VQIMIIECSA-N 1 0 333.451 2.235 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@@H]3CN(C4CC4)C(=O)O3)CC2)cc1 ZINC000848569097 1338723559 /nfs/dbraw/zinc/72/35/59/1338723559.db2.gz BYMLDFYEZSHJID-GOSISDBHSA-N 1 0 345.443 2.237 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cncn3C)CCC2)cc1C ZINC001570110567 1343012900 /nfs/dbraw/zinc/01/29/00/1343012900.db2.gz YUDAGLXBOPWMKJ-UHFFFAOYSA-N 1 0 342.443 2.179 10 10 EECERO COc1cc(C)cc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1O ZINC000184112428 782632674 /nfs/dbraw/zinc/63/26/74/782632674.db2.gz LGPYFZDCSMOCRK-UHFFFAOYSA-N 1 0 328.416 2.130 10 10 EECERO C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983974 785134136 /nfs/dbraw/zinc/13/41/36/785134136.db2.gz SVPDBOOSBLNBPF-NFOMZHRRSA-N 1 0 348.447 2.167 10 10 EECERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000818362123 785256467 /nfs/dbraw/zinc/25/64/67/785256467.db2.gz PPPUPAFZVRDUHA-RHSMWYFYSA-N 1 0 329.444 2.475 10 10 EECERO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912608858 788266017 /nfs/dbraw/zinc/26/60/17/788266017.db2.gz ONQVIKWTYBMZLH-UHFFFAOYSA-N 1 0 335.473 2.152 10 10 EECERO Cc1cc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c(C)n1-c1ccccc1 ZINC000913166499 788674253 /nfs/dbraw/zinc/67/42/53/788674253.db2.gz CDEJWKQFCVOCMD-UYAOXDASSA-N 1 0 341.455 2.165 10 10 EECERO Cc1ccc(NCc2ccc(O)c(C[NH+]3CCN(C)CC3)c2)cn1 ZINC000952992360 796136996 /nfs/dbraw/zinc/13/69/96/796136996.db2.gz KUYZGUMNCZTVFN-UHFFFAOYSA-N 1 0 326.444 2.455 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccncn2)C2CC2)cc1C ZINC001480052906 1099567259 /nfs/dbraw/zinc/56/72/59/1099567259.db2.gz HRGAITNDWNQLJV-KRWDZBQOSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2nc(C)c[nH]2)cc1C ZINC001495766176 1101559613 /nfs/dbraw/zinc/55/96/13/1101559613.db2.gz QCYDQOXHXIBQFH-LBPRGKRZSA-N 1 0 330.432 2.191 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@H]2CCOC2)cc1C ZINC001498026584 1106799692 /nfs/dbraw/zinc/79/96/92/1106799692.db2.gz OPIAOZGRZAKQAK-HOTGVXAUSA-N 1 0 334.460 2.415 10 10 EECERO CC[N@H+](C)[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001458718180 1109947134 /nfs/dbraw/zinc/94/71/34/1109947134.db2.gz KLWBIUKPPRESKT-OWNNVSBGSA-N 1 0 333.388 2.311 10 10 EECERO COc1ccc(N2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)cc1 ZINC001520519487 1119172446 /nfs/dbraw/zinc/17/24/46/1119172446.db2.gz OCPACHSAGLRBHU-UHFFFAOYSA-N 1 0 343.471 2.409 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2nocc2C)cc1C ZINC001568202869 1124353600 /nfs/dbraw/zinc/35/36/00/1124353600.db2.gz YEPIYLDKLSYQQS-GFCCVEGCSA-N 1 0 331.416 2.456 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000527950758 317291600 /nfs/dbraw/zinc/29/16/00/317291600.db2.gz ATRKTVWIBZXNPZ-CKLFPEKLSA-N 1 0 348.212 2.484 10 10 EECERO CCOC(=O)C1(O)CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC000093596381 463041737 /nfs/dbraw/zinc/04/17/37/463041737.db2.gz XXNUFACKTWFTAI-UHFFFAOYSA-N 1 0 334.460 2.423 10 10 EECERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000247406375 464676892 /nfs/dbraw/zinc/67/68/92/464676892.db2.gz PUFDDBWDESTXKJ-HIFRSBDPSA-N 1 0 334.439 2.270 10 10 EECERO C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000177056983 464918990 /nfs/dbraw/zinc/91/89/90/464918990.db2.gz PZOQSSPRSCGHFS-QFBILLFUSA-N 1 0 346.519 2.126 10 10 EECERO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765518450 577502473 /nfs/dbraw/zinc/50/24/73/577502473.db2.gz VYCQLTNSDHYMEK-WBMJQRKESA-N 1 0 337.851 2.106 10 10 EECERO CCOc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(O)c1 ZINC000769319119 577574919 /nfs/dbraw/zinc/57/49/19/577574919.db2.gz QBBGAXPEERVOOH-KRWDZBQOSA-N 1 0 334.460 2.478 10 10 EECERO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(O)c1O ZINC000770503474 577597574 /nfs/dbraw/zinc/59/75/74/577597574.db2.gz APJZPMVORCFBRT-HNNXBMFYSA-N 1 0 348.443 2.123 10 10 EECERO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C(C)C)C3)CC2)cc1 ZINC000755996934 577835988 /nfs/dbraw/zinc/83/59/88/577835988.db2.gz RDYKIBMLLNMQBF-QGZVFWFLSA-N 1 0 345.487 2.322 10 10 EECERO COc1cccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1O ZINC000747547660 577946097 /nfs/dbraw/zinc/94/60/97/577946097.db2.gz OZJJDBLIGVDXNE-UHFFFAOYSA-N 1 0 339.355 2.303 10 10 EECERO COC[C@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000749287173 577974074 /nfs/dbraw/zinc/97/40/74/577974074.db2.gz DGPXEXLQBTVPBH-KRWDZBQOSA-N 1 0 337.420 2.072 10 10 EECERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000749564959 577978183 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COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCOC[C@@H]3C)CC2)cc1C ZINC001269485030 1184304906 /nfs/dbraw/zinc/30/49/06/1184304906.db2.gz XQMZKIZZIJEHCA-DOTOQJQBSA-N 1 0 346.471 2.415 10 10 EECERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Br)ccc1O ZINC000841892506 1188131176 /nfs/dbraw/zinc/13/11/76/1188131176.db2.gz ZUPQIGPQNWEECM-RYUDHWBXSA-N 1 0 343.265 2.042 10 10 EECERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000905706952 1189876663 /nfs/dbraw/zinc/87/66/63/1189876663.db2.gz IOWNZZMXFQYIFW-RDTXWAMCSA-N 1 0 334.416 2.420 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C(C)=C2CCC2)cc1C ZINC001485994533 1193662935 /nfs/dbraw/zinc/66/29/35/1193662935.db2.gz GDXBEZJQTWZNCF-QGZVFWFLSA-N 1 0 332.444 2.071 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnc(C)n3C)CC2)cc1C ZINC001483761731 1190990126 /nfs/dbraw/zinc/99/01/26/1190990126.db2.gz GYDKSBKPWWLNIC-UHFFFAOYSA-N 1 0 342.443 2.098 10 10 EECERO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000865737699 1198352700 /nfs/dbraw/zinc/35/27/00/1198352700.db2.gz CCRNOUOWKKQCGG-QRWLVFNGSA-N 1 0 326.440 2.081 10 10 EECERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000813855992 1199188559 /nfs/dbraw/zinc/18/85/59/1199188559.db2.gz VULJPMWGIJIBLH-SFHVURJKSA-N 1 0 345.487 2.042 10 10 EECERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCCO1 ZINC000812183981 1200555619 /nfs/dbraw/zinc/55/56/19/1200555619.db2.gz CNPJEUZMWTUDLC-UHFFFAOYSA-N 1 0 344.459 2.066 10 10 EECERO O=C(CCC12CC(C1)C[NH2+]2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000870883726 1200931239 /nfs/dbraw/zinc/93/12/39/1200931239.db2.gz GJZLSQWQVWIUQI-CMVHYPBASA-N 1 0 344.455 2.432 10 10 EECERO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc2ccccc2c1O ZINC000866520997 1201539859 /nfs/dbraw/zinc/53/98/59/1201539859.db2.gz JLIBCHSLMQJHID-DJJJIMSYSA-N 1 0 342.395 2.417 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000881854505 1201775763 /nfs/dbraw/zinc/77/57/63/1201775763.db2.gz DRAWGOPDBVZUID-QRQLOZEOSA-N 1 0 327.472 2.491 10 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XPGZFJRMTQSNSE-UHFFFAOYSA-N 1 0 329.238 2.157 10 10 EECERO OCCO[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000850358053 1277197120 /nfs/dbraw/zinc/19/71/20/1277197120.db2.gz FFAJGYGHQRMIHT-FQEVSTJZSA-N 1 0 343.423 2.317 10 10 EECERO COC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000850488650 1277241594 /nfs/dbraw/zinc/24/15/94/1277241594.db2.gz OIGDQEBBAXTJAW-VQIMIIECSA-N 1 0 334.460 2.305 10 10 EECERO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1O ZINC000850506000 1277252835 /nfs/dbraw/zinc/25/28/35/1277252835.db2.gz APDKQLXVKWXWGH-LRDDRELGSA-N 1 0 329.824 2.173 10 10 EECERO C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000851631244 1277692907 /nfs/dbraw/zinc/69/29/07/1277692907.db2.gz YWTYKRHXEHBTKB-HNNXBMFYSA-N 1 0 343.471 2.362 10 10 EECERO Cc1ccc(COCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000856995444 1293692430 /nfs/dbraw/zinc/69/24/30/1293692430.db2.gz WXZUQQBIBSINAI-IBGZPJMESA-N 1 0 341.455 2.394 10 10 EECERO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(N(C)C)cc1 ZINC000858466395 1294124231 /nfs/dbraw/zinc/12/42/31/1294124231.db2.gz ZYNDVMQLUUZYGG-JXFKEZNVSA-N 1 0 347.503 2.019 10 10 EECERO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CN(Cc3ccncc3)CCO1)CC2 ZINC000858564148 1294154933 /nfs/dbraw/zinc/15/49/33/1294154933.db2.gz GCWYEKHODPJVPW-QZTJIDSGSA-N 1 0 339.439 2.265 10 10 EECERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC3(CC3)CC1)cc2=O ZINC000860072588 1294788236 /nfs/dbraw/zinc/78/82/36/1294788236.db2.gz RXSIFXLOKJEJRF-UHFFFAOYSA-N 1 0 344.415 2.378 10 10 EECERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000861559000 1295456592 /nfs/dbraw/zinc/45/65/92/1295456592.db2.gz LIXKIYKNCSXEBT-DLBZAZTESA-N 1 0 348.516 2.180 10 10 EECERO CN1CCCc2cc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)ccc21 ZINC000861567766 1295459477 /nfs/dbraw/zinc/45/94/77/1295459477.db2.gz KPLXXVMAKZJVKA-KRWDZBQOSA-N 1 0 328.460 2.153 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cn(C)cn2)cc1C ZINC001277163967 1301598825 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COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccc(C)nn2)cc1C ZINC001492022808 1330449082 /nfs/dbraw/zinc/44/90/82/1330449082.db2.gz ZUDXYEVIDUENPW-AWEZNQCLSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cnsn2)C2CC2)cc1C ZINC001317013872 1332044489 /nfs/dbraw/zinc/04/44/89/1332044489.db2.gz CAVNMMWULOKBKV-CQSZACIVSA-N 1 0 346.456 2.153 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccc(=O)[nH]c2)cc1C ZINC001319584232 1332724605 /nfs/dbraw/zinc/72/46/05/1332724605.db2.gz ZOWCBINFZMEYJA-CQSZACIVSA-N 1 0 343.427 2.355 10 10 EECERO COC(=O)/C=C\c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001322152888 1333218103 /nfs/dbraw/zinc/21/81/03/1333218103.db2.gz JULXBTZLFAZPEY-LYASGUKUSA-N 1 0 345.399 2.456 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC001326421852 1334090711 /nfs/dbraw/zinc/09/07/11/1334090711.db2.gz YHZRMOBTQOGMFQ-ZWKOTPCHSA-N 1 0 331.460 2.251 10 10 EECERO CN1CCN(c2ccc(CN3CCC[C@]4(CC[NH2+]C4)C3)cc2F)CC1 ZINC001329433115 1334649909 /nfs/dbraw/zinc/64/99/09/1334649909.db2.gz LMZCSZVKIVAOKB-HXUWFJFHSA-N 1 0 346.494 2.153 10 10 EECERO COCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567386833 1342750361 /nfs/dbraw/zinc/75/03/61/1342750361.db2.gz OIMKVTZFUQILQU-OAHLLOKOSA-N 1 0 347.419 2.080 10 10 EECERO C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC001644183775 1352759493 /nfs/dbraw/zinc/75/94/93/1352759493.db2.gz RTRJZZXOIGSECZ-LBPRGKRZSA-N 1 0 348.424 2.085 10 10 EECERO Cc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918914459 769471413 /nfs/dbraw/zinc/47/14/13/769471413.db2.gz STKJDOWBNUOOTC-UHFFFAOYSA-N 1 0 347.850 2.053 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846672925 790366127 /nfs/dbraw/zinc/36/61/27/790366127.db2.gz NDNLOXGRFDARNC-MOPGFXCFSA-N 1 0 343.471 2.265 10 10 EECERO O=C1O[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CN1C1CC1 ZINC000844308016 789003336 /nfs/dbraw/zinc/00/33/36/789003336.db2.gz VYWCFQWAGHMROK-DLBZAZTESA-N 1 0 346.427 2.356 10 10 EECERO c1nncn1CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000846055732 790039661 /nfs/dbraw/zinc/03/96/61/790039661.db2.gz KBDDPIXMXOJAEK-UHFFFAOYSA-N 1 0 341.459 2.027 10 10 EECERO CCCOc1ccc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1C ZINC000922618505 801531523 /nfs/dbraw/zinc/53/15/23/801531523.db2.gz MFJDWUMLZGKVBF-QGZVFWFLSA-N 1 0 341.473 2.077 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC(C)=O)C2)cc1C ZINC001480191333 1099791753 /nfs/dbraw/zinc/79/17/53/1099791753.db2.gz KAWBDEDXYUBUBY-CALCHBBNSA-N 1 0 332.444 2.500 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cn2nc(C)cc2C)cc1C ZINC001480498339 1100317625 /nfs/dbraw/zinc/31/76/25/1100317625.db2.gz DQZOXLQCZXEZED-HNNXBMFYSA-N 1 0 344.459 2.111 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001497046892 1101887022 /nfs/dbraw/zinc/88/70/22/1101887022.db2.gz PQURJGDHNLIDAQ-IAGOWNOFSA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2snnc2C)cc1C ZINC001496000719 1101917333 /nfs/dbraw/zinc/91/73/33/1101917333.db2.gz ZFCJEQIVWCTTIG-GFCCVEGCSA-N 1 0 348.472 2.414 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccn[nH]2)C2CC2)cc1C ZINC001498730660 1107989088 /nfs/dbraw/zinc/98/90/88/1107989088.db2.gz JNKWKFUNAKNDPZ-MRXNPFEDSA-N 1 0 328.416 2.025 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194939247 463963656 /nfs/dbraw/zinc/96/36/56/463963656.db2.gz AVSLKEKHWSYHMY-LBPRGKRZSA-N 1 0 332.404 2.229 10 10 EECERO CN(C)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000280828101 464257914 /nfs/dbraw/zinc/25/79/14/464257914.db2.gz JKORXUFWMUIMPF-LBPRGKRZSA-N 1 0 329.366 2.482 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248899433 464818142 /nfs/dbraw/zinc/81/81/42/464818142.db2.gz PHOZVLUFLDCFBI-DYLGSBMWSA-N 1 0 331.372 2.065 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000368046011 466571495 /nfs/dbraw/zinc/57/14/95/466571495.db2.gz WWMJOADYNFCEQB-CYBMUJFWSA-N 1 0 328.416 2.543 10 10 EECERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773307002 577331943 /nfs/dbraw/zinc/33/19/43/577331943.db2.gz NBXNRWIIXHPTNQ-YJBOKZPZSA-N 1 0 348.491 2.224 10 10 EECERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000764423449 577735777 /nfs/dbraw/zinc/73/57/77/577735777.db2.gz AGZKGCQZHNKMFP-SFHVURJKSA-N 1 0 345.487 2.404 10 10 EECERO COC(=O)c1c(C[NH2+]C[C@@H]2CC[C@H](O)C2)c2cc(F)ccc2n1C ZINC000894540210 682961464 /nfs/dbraw/zinc/96/14/64/682961464.db2.gz FFVXFRXZHPWTDS-YPMHNXCESA-N 1 0 334.391 2.355 10 10 EECERO COC(=O)c1c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c2cc(F)ccc2n1C ZINC000894540209 682961691 /nfs/dbraw/zinc/96/16/91/682961691.db2.gz FFVXFRXZHPWTDS-WCQYABFASA-N 1 0 334.391 2.355 10 10 EECERO C[NH+](C)CCn1cc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC000895986713 684796499 /nfs/dbraw/zinc/79/64/99/684796499.db2.gz WITJGTLZMXSXAB-UHFFFAOYSA-N 1 0 346.412 2.323 10 10 EECERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1 ZINC000237528604 694146473 /nfs/dbraw/zinc/14/64/73/694146473.db2.gz RUFGEXDLJVUOLB-OAHLLOKOSA-N 1 0 339.439 2.473 10 10 EECERO Cc1ncc(C[NH2+]CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001267476987 1179117299 /nfs/dbraw/zinc/11/72/99/1179117299.db2.gz URMARQZXCPZVOZ-UHFFFAOYSA-N 1 0 344.375 2.007 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)CC2CCOCC2)cc1C ZINC001481216572 1180303941 /nfs/dbraw/zinc/30/39/41/1180303941.db2.gz HDVRJWXAQJBPPJ-UHFFFAOYSA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@H]2CCOC2)C2CC2)cc1C ZINC001267849051 1180628242 /nfs/dbraw/zinc/62/82/42/1180628242.db2.gz LXUXCOPWLPQKJG-JXFKEZNVSA-N 1 0 346.471 2.415 10 10 EECERO CC[C@@H](CNC(=O)c1cc(C)ncn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481806352 1182719373 /nfs/dbraw/zinc/71/93/73/1182719373.db2.gz UWIVTIXVFQUGGO-INIZCTEOSA-N 1 0 342.443 2.400 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2[nH]cnc2C)cc1C ZINC001271237228 1186099124 /nfs/dbraw/zinc/09/91/24/1186099124.db2.gz AKLWVWXRZYJFSN-ZDUSSCGKSA-N 1 0 330.432 2.285 10 10 EECERO CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485231611 1191699658 /nfs/dbraw/zinc/69/96/58/1191699658.db2.gz IGANYTXGVRNCCZ-OLZOCXBDSA-N 1 0 349.435 2.370 10 10 EECERO CC[C@@H]([NH2+]CCc1nnnn1C)c1ccc(C(F)(F)F)cc1O ZINC000810223158 1199359246 /nfs/dbraw/zinc/35/92/46/1199359246.db2.gz DLOPWHGVLLYCHK-LLVKDONJSA-N 1 0 329.326 2.218 10 10 EECERO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC000880583042 1201529867 /nfs/dbraw/zinc/52/98/67/1201529867.db2.gz DCQZYOBKDUZZHE-HNNXBMFYSA-N 1 0 337.391 2.097 10 10 EECERO CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(N(C)C)cc1 ZINC000866570723 1201549759 /nfs/dbraw/zinc/54/97/59/1201549759.db2.gz OZUVDMJMCJOCEN-HNNXBMFYSA-N 1 0 327.494 2.108 10 10 EECERO Cc1cc(C[NH2+]C[C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)on1 ZINC001275468025 1205373874 /nfs/dbraw/zinc/37/38/74/1205373874.db2.gz UEMQRZVGORIXOU-NSHDSACASA-N 1 0 344.375 2.054 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2[nH]cnc2C)cc1C ZINC001275554984 1205409862 /nfs/dbraw/zinc/40/98/62/1205409862.db2.gz ZTUCMGRPQJQHNW-KBPBESRZSA-N 1 0 344.459 2.261 10 10 EECERO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)CC2)cc1 ZINC000925318231 1206095398 /nfs/dbraw/zinc/09/53/98/1206095398.db2.gz DLRHNTAHTGFKOQ-MAUKXSAKSA-N 1 0 346.475 2.010 10 10 EECERO CN(C(=O)/C=C/c1cncc(O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000779664931 1210736717 /nfs/dbraw/zinc/73/67/17/1210736717.db2.gz MIEXQUSWANHRGW-RUDMXATFSA-N 1 0 341.411 2.404 10 10 EECERO COc1cc(Cl)cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1O ZINC000826867495 1248100047 /nfs/dbraw/zinc/10/00/47/1248100047.db2.gz KDLRKQUCQXHHDS-OAQYLSRUSA-N 1 0 345.770 2.455 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000850345507 1277191163 /nfs/dbraw/zinc/19/11/63/1277191163.db2.gz CMQQLBAVCZHMTO-CQSZACIVSA-N 1 0 342.395 2.498 10 10 EECERO COc1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1C ZINC000850363571 1277198549 /nfs/dbraw/zinc/19/85/49/1277198549.db2.gz AGUMEZRXMVBYEA-UHFFFAOYSA-N 1 0 325.352 2.070 10 10 EECERO O=C(NCc1ccccc1O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000851673808 1277711866 /nfs/dbraw/zinc/71/18/66/1277711866.db2.gz RLUZCNPZCHGXPL-IAGOWNOFSA-N 1 0 343.402 2.476 10 10 EECERO CC(C)(C[NH2+]Cc1c(O)cccc1Br)[C@]1(O)CCOC1 ZINC000858182467 1294035900 /nfs/dbraw/zinc/03/59/00/1294035900.db2.gz UNVMDJYCFZDCPR-HNNXBMFYSA-N 1 0 344.249 2.422 10 10 EECERO COc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnc1OC ZINC000858234734 1294055902 /nfs/dbraw/zinc/05/59/02/1294055902.db2.gz HSFSPLWOXFQSOF-UHFFFAOYSA-N 1 0 342.443 2.463 10 10 EECERO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COCCN2C)c1O ZINC000858523393 1294143394 /nfs/dbraw/zinc/14/33/94/1294143394.db2.gz QWGHVNOZUDMBMO-YPMHNXCESA-N 1 0 343.265 2.444 10 10 EECERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000861676512 1295501234 /nfs/dbraw/zinc/50/12/34/1295501234.db2.gz JBDFVHTVKDZJFU-IXDOHACOSA-N 1 0 347.459 2.223 10 10 EECERO CCON(CC)C(=O)C[NH2+]Cc1ccc(Br)cc1O ZINC000862453059 1295851019 /nfs/dbraw/zinc/85/10/19/1295851019.db2.gz ISBFJPSATUKOHD-UHFFFAOYSA-N 1 0 331.210 2.044 10 10 EECERO CCS(=O)(=O)NC1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840946938 1315443086 /nfs/dbraw/zinc/44/30/86/1315443086.db2.gz XXKBWJIUCSOAAN-UHFFFAOYSA-N 1 0 346.880 2.258 10 10 EECERO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]([NH3+])CC(C)C ZINC000841006079 1315452875 /nfs/dbraw/zinc/45/28/75/1315452875.db2.gz IGGBAYVWYRVUFV-AWEZNQCLSA-N 1 0 328.840 2.394 10 10 EECERO COc1ccc(N2CCC(N[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000841080817 1315469676 /nfs/dbraw/zinc/46/96/76/1315469676.db2.gz QPPOICLWLRTYKI-INIZCTEOSA-N 1 0 325.403 2.251 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1F ZINC000841798954 1315615016 /nfs/dbraw/zinc/61/50/16/1315615016.db2.gz OEYSGGUXDOUWCQ-BBRMVZONSA-N 1 0 336.455 2.469 10 10 EECERO CN1CCN(c2ccc(C[NH2+][C@]34CCC[C@H]3OCC4)cc2F)CC1 ZINC001261889108 1322193872 /nfs/dbraw/zinc/19/38/72/1322193872.db2.gz NMYVCYLWDUWKRG-MOPGFXCFSA-N 1 0 333.451 2.379 10 10 EECERO CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001294858597 1329171448 /nfs/dbraw/zinc/17/14/48/1329171448.db2.gz CGNHUYQYHRGXEQ-IIAWOOMASA-N 1 0 338.835 2.161 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cn2ccnc2C)cc1C ZINC001320638752 1332926876 /nfs/dbraw/zinc/92/68/76/1332926876.db2.gz FNYAJCPVBSFMKA-HNNXBMFYSA-N 1 0 344.459 2.193 10 10 EECERO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1F ZINC001328785294 1334520866 /nfs/dbraw/zinc/52/08/66/1334520866.db2.gz ZOWCOUMJGAFJQN-BLLLJJGKSA-N 1 0 330.419 2.278 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccncn2)cc1C ZINC001331593857 1335042644 /nfs/dbraw/zinc/04/26/44/1335042644.db2.gz KBBWDOHOHBCJBN-AWEZNQCLSA-N 1 0 328.416 2.044 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001351162310 1337791104 /nfs/dbraw/zinc/79/11/04/1337791104.db2.gz FTNPVGOBBOFXSZ-HOTGVXAUSA-N 1 0 331.460 2.170 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C)nnc2C)cc1C ZINC001567501070 1342771991 /nfs/dbraw/zinc/77/19/91/1342771991.db2.gz OMXFUIAXEBCYGK-UHFFFAOYSA-N 1 0 342.443 2.272 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)c2cocc2C)cc1C ZINC001571586946 1343243202 /nfs/dbraw/zinc/24/32/02/1343243202.db2.gz ANWJRIUTHZYCBN-INIZCTEOSA-N 1 0 346.427 2.128 10 10 EECERO CCOc1ccc(N2CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC001630992308 1352575534 /nfs/dbraw/zinc/57/55/34/1352575534.db2.gz KPDOKRRAKOXKEO-INIZCTEOSA-N 1 0 333.476 2.322 10 10 EECERO CCC[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC001648535092 1353433058 /nfs/dbraw/zinc/43/30/58/1353433058.db2.gz FCQIYDVQIGXISQ-ZDUSSCGKSA-N 1 0 332.404 2.376 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n2cccn2)cc1C ZINC001669443898 1356160690 /nfs/dbraw/zinc/16/06/90/1356160690.db2.gz OIRSEOUADRSSCM-HZPDHXFCSA-N 1 0 344.459 2.446 10 10 EECERO COC[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001675727157 1357043749 /nfs/dbraw/zinc/04/37/49/1357043749.db2.gz UBYNYUQBKVGXIB-XIRDDKMYSA-N 1 0 334.460 2.271 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2snnc2C)cc1C ZINC001698742540 1405040610 /nfs/dbraw/zinc/04/06/10/1405040610.db2.gz XZNRVAKYWJIECS-LLVKDONJSA-N 1 0 348.472 2.319 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccnnc2)C(C)C)cc1C ZINC001698970857 1405193255 /nfs/dbraw/zinc/19/32/55/1405193255.db2.gz KSGYQCAWULKWLD-QGZVFWFLSA-N 1 0 342.443 2.338 10 10 EECERO CN(C)c1ccc(C[N@H+](CC(=O)N2CCOC(C)(C)C2)C2CC2)cc1 ZINC001167108855 757332299 /nfs/dbraw/zinc/33/22/99/757332299.db2.gz VLGKSBTZRINYBH-UHFFFAOYSA-N 1 0 345.487 2.354 10 10 EECERO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000822570779 787273769 /nfs/dbraw/zinc/27/37/69/787273769.db2.gz QWQKJVIMGOKRMY-SFHVURJKSA-N 1 0 345.487 2.354 10 10 EECERO CCOCc1cc(C[NH2+]C[C@@H]2CCCCN2CCO)ccc1OC ZINC000824582953 788245866 /nfs/dbraw/zinc/24/58/66/788245866.db2.gz FPUBGTOHCQNTKZ-SFHVURJKSA-N 1 0 336.476 2.168 10 10 EECERO O[C@@H]1COCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000824626314 788263712 /nfs/dbraw/zinc/26/37/12/788263712.db2.gz WITLUDJXZCFUHH-FQEVSTJZSA-N 1 0 338.451 2.442 10 10 EECERO OC1CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC000825137890 788453167 /nfs/dbraw/zinc/45/31/67/788453167.db2.gz FUEXNEPQFZSPFQ-DNVCBOLYSA-N 1 0 334.435 2.444 10 10 EECERO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000825308596 788562408 /nfs/dbraw/zinc/56/24/08/788562408.db2.gz CFLGDKLEWUFPKC-OASPWFOLSA-N 1 0 339.233 2.254 10 10 EECERO COC(=O)/C=C/c1ccc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000103135164 803661060 /nfs/dbraw/zinc/66/10/60/803661060.db2.gz SFMDEVQRPIWTCN-SOFGYWHQSA-N 1 0 333.388 2.313 10 10 EECERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC001440713692 1093959151 /nfs/dbraw/zinc/95/91/51/1093959151.db2.gz RNNZMJUFXSWCSR-FQEVSTJZSA-N 1 0 345.487 2.092 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001452830389 1105715669 /nfs/dbraw/zinc/71/56/69/1105715669.db2.gz CPOMYAWFUAWYNS-HZPDHXFCSA-N 1 0 333.476 2.463 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCOC[C@H]2C)cc1C ZINC001493687093 1108508243 /nfs/dbraw/zinc/50/82/43/1108508243.db2.gz FHMYWVLIYOHNDS-NVXWUHKLSA-N 1 0 334.460 2.224 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)cc1C ZINC001501562397 1113383778 /nfs/dbraw/zinc/38/37/78/1113383778.db2.gz OSJMFDDRIDFSSN-VQIMIIECSA-N 1 0 348.487 2.349 10 10 EECERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](OC)C3CC3)C2)cc1C ZINC001506883225 1114949209 /nfs/dbraw/zinc/94/92/09/1114949209.db2.gz VMCVBHDPWQCQCG-SZVBFZGTSA-N 1 0 346.471 2.413 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cnnc(C)c2)cc1C ZINC001507072013 1115093179 /nfs/dbraw/zinc/09/31/79/1115093179.db2.gz SUCJXCOHUJXLER-HNNXBMFYSA-N 1 0 342.443 2.352 10 10 EECERO CCn1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001568985051 1125022620 /nfs/dbraw/zinc/02/26/20/1125022620.db2.gz JXSYSQWVCACRHJ-CQSZACIVSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](OC)C2CCC2)cc1C ZINC001569009754 1125038510 /nfs/dbraw/zinc/03/85/10/1125038510.db2.gz PSVOKDPACRZGBV-KDOFPFPSSA-N 1 0 334.460 2.413 10 10 EECERO CCOc1ccc(O)c(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093148048 237046445 /nfs/dbraw/zinc/04/64/45/237046445.db2.gz HNJOODBQWJJYCY-GOSISDBHSA-N 1 0 347.503 2.393 10 10 EECERO CCOc1ccc(O)c(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000127949999 462596996 /nfs/dbraw/zinc/59/69/96/462596996.db2.gz DETKJEZBOPIRST-UHFFFAOYSA-N 1 0 346.431 2.190 10 10 EECERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000268831564 463792018 /nfs/dbraw/zinc/79/20/18/463792018.db2.gz KPWISCIDEXZYEA-HZMBPMFUSA-N 1 0 336.329 2.236 10 10 EECERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000185502163 463834391 /nfs/dbraw/zinc/83/43/91/463834391.db2.gz VTHIKDLDKHFVAI-GXSJLCMTSA-N 1 0 327.222 2.426 10 10 EECERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000283919259 464041455 /nfs/dbraw/zinc/04/14/55/464041455.db2.gz IRNWZSGVBVVOAS-TZMCWYRMSA-N 1 0 346.265 2.402 10 10 EECERO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282825349 464963412 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EECERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000858489137 1294132019 /nfs/dbraw/zinc/13/20/19/1294132019.db2.gz UOEVZXFSTHFUKI-KGLIPLIRSA-N 1 0 338.415 2.068 10 10 EECERO Oc1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000859190069 1294344124 /nfs/dbraw/zinc/34/41/24/1294344124.db2.gz FDQZXEZBFSWHPG-DLBZAZTESA-N 1 0 335.444 2.039 10 10 EECERO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000862294564 1295784762 /nfs/dbraw/zinc/78/47/62/1295784762.db2.gz MVWFLCQVLMKLCT-MRXNPFEDSA-N 1 0 342.443 2.283 10 10 EECERO NC(=O)C[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000863326206 1296222368 /nfs/dbraw/zinc/22/23/68/1296222368.db2.gz LFYKWMYMJGLAID-GFCCVEGCSA-N 1 0 344.411 2.093 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000841718336 1315603587 /nfs/dbraw/zinc/60/35/87/1315603587.db2.gz RSSUCBXKGFAOIE-HNNXBMFYSA-N 1 0 340.418 2.329 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841831793 1315619970 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CC[C@H](CNC(=O)c1c[nH]nc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318554312 1332559920 /nfs/dbraw/zinc/55/99/20/1332559920.db2.gz GOJQWDPWWKLYIU-OAHLLOKOSA-N 1 0 330.432 2.333 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2c[nH]nc2C)cc1C ZINC001331520618 1335028191 /nfs/dbraw/zinc/02/81/91/1335028191.db2.gz VCEOZZVDLWSSFO-ZDUSSCGKSA-N 1 0 330.432 2.285 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@]2(C)CCOC2)cc1C ZINC001331592520 1335041915 /nfs/dbraw/zinc/04/19/15/1335041915.db2.gz CJBFHDIVMOKUEA-DNVCBOLYSA-N 1 0 334.460 2.367 10 10 EECERO COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1O ZINC001332020938 1335707685 /nfs/dbraw/zinc/70/76/85/1335707685.db2.gz FQGVHMJJNFABFR-GFCCVEGCSA-N 1 0 333.837 2.111 10 10 EECERO COC(=O)c1c(CN2CC[C@]23CCOC3)c2cc(F)ccc2n1C ZINC001332717019 1335889729 /nfs/dbraw/zinc/88/97/29/1335889729.db2.gz JNFYZLPOCZLSCQ-GOSISDBHSA-N 1 0 332.375 2.469 10 10 EECERO Cc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c(O)c1O ZINC001348779057 1337575489 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COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000170687545 790963841 /nfs/dbraw/zinc/96/38/41/790963841.db2.gz LDLZSOHEKWZHNO-KRWDZBQOSA-N 1 0 346.475 2.057 10 10 EECERO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccc(F)cn3)C2)cc1 ZINC000819381521 785541843 /nfs/dbraw/zinc/54/18/43/785541843.db2.gz XXWFZHMHEXIQLI-LIRRHRJNSA-N 1 0 345.418 2.379 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC34CC4)cc2F)CC1 ZINC000823867697 787967260 /nfs/dbraw/zinc/96/72/60/787967260.db2.gz QPKXRHMWCMTHII-QGZVFWFLSA-N 1 0 346.450 2.319 10 10 EECERO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000921552777 789422772 /nfs/dbraw/zinc/42/27/72/789422772.db2.gz NAYGUTBNTCFDDJ-UHFFFAOYSA-N 1 0 344.434 2.174 10 10 EECERO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC000916226000 797557066 /nfs/dbraw/zinc/55/70/66/797557066.db2.gz MOGGFPQDPXJKLG-KDOFPFPSSA-N 1 0 346.475 2.056 10 10 EECERO C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480122676 1099685958 /nfs/dbraw/zinc/68/59/58/1099685958.db2.gz RYBHZQNVSDDMID-FZMZJTMJSA-N 1 0 335.383 2.401 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2csnn2)cc1C ZINC001496130750 1102116700 /nfs/dbraw/zinc/11/67/00/1102116700.db2.gz VECUFEOXYRGJDR-LBPRGKRZSA-N 1 0 334.445 2.105 10 10 EECERO Nc1cc(CCCCNC(=O)/C=C/c2ccc(O)c(O)c2)cc[nH+]1 ZINC001472460451 1110557028 /nfs/dbraw/zinc/55/70/28/1110557028.db2.gz UCHXEYRVQMIAEQ-FNORWQNLSA-N 1 0 327.384 2.227 10 10 EECERO C=C/C=C\CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001539284393 1124052264 /nfs/dbraw/zinc/05/22/64/1124052264.db2.gz LANLVIUYOYZQNV-PLNGDYQASA-N 1 0 343.471 2.456 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ncoc2C)cc1C ZINC001568164840 1124335320 /nfs/dbraw/zinc/33/53/20/1124335320.db2.gz MVHNMPWVOANADI-GFCCVEGCSA-N 1 0 331.416 2.456 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552547 463843270 /nfs/dbraw/zinc/84/32/70/463843270.db2.gz WAWUJRSNXKZLQH-KGLIPLIRSA-N 1 0 330.432 2.454 10 10 EECERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2=O)n(C)n1 ZINC000173853181 464321928 /nfs/dbraw/zinc/32/19/28/464321928.db2.gz BNTIXYSGAFQVIM-AWEZNQCLSA-N 1 0 348.834 2.373 10 10 EECERO Cc1cccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000367701108 466500767 /nfs/dbraw/zinc/50/07/67/466500767.db2.gz KNWDJKSNMFEMKX-UHFFFAOYSA-N 1 0 332.429 2.403 10 10 EECERO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376019430 529123786 /nfs/dbraw/zinc/12/37/86/529123786.db2.gz AQFDYDADMXSBQF-FQEVSTJZSA-N 1 0 346.471 2.293 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000771288914 577613100 /nfs/dbraw/zinc/61/31/00/577613100.db2.gz PIRRGDUMITXMMG-ZYARKTQMSA-N 1 0 333.388 2.310 10 10 EECERO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)c2c1c(F)ccc2O ZINC000756686032 577848531 /nfs/dbraw/zinc/84/85/31/577848531.db2.gz HHDSSTVQIZGOTD-DGCLKSJQSA-N 1 0 342.436 2.095 10 10 EECERO Oc1cccc(Br)c1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724579775 678534591 /nfs/dbraw/zinc/53/45/91/678534591.db2.gz SYCDOKVGXQOUPV-RULNRJAQSA-N 1 0 328.206 2.048 10 10 EECERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)n1-c1ccc(Cl)cc1 ZINC000262323781 685351933 /nfs/dbraw/zinc/35/19/33/685351933.db2.gz ROGHPJQBTZZKSB-CXAGYDPISA-N 1 0 347.846 2.058 10 10 EECERO O=C1C[C@]2(CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)CN1 ZINC000894592975 682989343 /nfs/dbraw/zinc/98/93/43/682989343.db2.gz NNHUERUZXVZIPE-CQSZACIVSA-N 1 0 343.196 2.006 10 10 EECERO COc1ccc(O)c(C[NH2+][C@@]2(CO)CCc3c2cccc3OC)c1 ZINC000895634643 684666599 /nfs/dbraw/zinc/66/65/99/684666599.db2.gz NAQCNRMHAZWPSR-LJQANCHMSA-N 1 0 329.396 2.333 10 10 EECERO COc1cc(Cl)cc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC000895696249 684691933 /nfs/dbraw/zinc/69/19/33/684691933.db2.gz QKSPZPZNNAXWNV-UHFFFAOYSA-N 1 0 327.808 2.436 10 10 EECERO O=C(NCc1ccc(N2CCCCC2)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895940554 684782878 /nfs/dbraw/zinc/78/28/78/684782878.db2.gz SHQQECJXAZRKKI-IBGZPJMESA-N 1 0 343.471 2.014 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(Br)cc1O ZINC000927138215 693391754 /nfs/dbraw/zinc/39/17/54/693391754.db2.gz ZRVPFOWZUZKKSL-LKFCYVNXSA-N 1 0 340.221 2.272 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)Cc2cnoc2)C2CC2)cc1C ZINC001266427404 1176521334 /nfs/dbraw/zinc/52/13/34/1176521334.db2.gz YIFMVSINRDWCOS-KRWDZBQOSA-N 1 0 343.427 2.219 10 10 EECERO COc1cc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)ccn1 ZINC001267393954 1178964227 /nfs/dbraw/zinc/96/42/27/1178964227.db2.gz ZJSFJOKWXSPGBU-UHFFFAOYSA-N 1 0 343.427 2.269 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@](C)(O)C2CC2)cc1C ZINC001481222806 1180351399 /nfs/dbraw/zinc/35/13/99/1180351399.db2.gz KCHZTVHUDNLMHP-LJQANCHMSA-N 1 0 334.460 2.103 10 10 EECERO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000588405591 1187419097 /nfs/dbraw/zinc/41/90/97/1187419097.db2.gz BBKXGVIKFFVUQS-QKIRZYONSA-N 1 0 330.428 2.492 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C2CCCC2)cc1C ZINC001482784647 1187720459 /nfs/dbraw/zinc/72/04/59/1187720459.db2.gz LDUZEOSCDUWCNS-CRAIPNDOSA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)Cn3cccn3)CCC2)cc1C ZINC001484623050 1191445443 /nfs/dbraw/zinc/44/54/43/1191445443.db2.gz CHLAZEDGCLPGIU-UHFFFAOYSA-N 1 0 342.443 2.029 10 10 EECERO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc2c(cc1O)CCCC2 ZINC000866522032 1201539726 /nfs/dbraw/zinc/53/97/26/1201539726.db2.gz SBXVJZCIRCNCOJ-BFUOFWGJSA-N 1 0 346.427 2.143 10 10 EECERO C[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1O ZINC000866522762 1201540537 /nfs/dbraw/zinc/54/05/37/1201540537.db2.gz ZRNARIUXZCFRTR-CYBMUJFWSA-N 1 0 339.395 2.295 10 10 EECERO O=C1CN(Cc2ccccc2O)C(=O)N1C1CC([NH+]2CCCCC2)C1 ZINC000925323857 1206097206 /nfs/dbraw/zinc/09/72/06/1206097206.db2.gz KXBDPHJJERQBOV-UHFFFAOYSA-N 1 0 343.427 2.173 10 10 EECERO C[C@H](NCc1cc(C(N)=O)co1)c1ccc(N2CCOCC2)c(F)c1 ZINC000187725102 1208537566 /nfs/dbraw/zinc/53/75/66/1208537566.db2.gz SLBLLCJQOVUSOH-LBPRGKRZSA-N 1 0 347.390 2.205 10 10 EECERO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c1O ZINC000827098961 1249914500 /nfs/dbraw/zinc/91/45/00/1249914500.db2.gz NPJZGTXJOJRBJD-DNVCBOLYSA-N 1 0 333.428 2.491 10 10 EECERO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000827579925 1248470102 /nfs/dbraw/zinc/47/01/02/1248470102.db2.gz LQLUNGHMFWSDEU-UHFFFAOYSA-N 1 0 333.837 2.111 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccnnc2C)cc1C ZINC001491513602 1259162691 /nfs/dbraw/zinc/16/26/91/1259162691.db2.gz PPXGUOCMHHFPMK-CYBMUJFWSA-N 1 0 328.416 2.010 10 10 EECERO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851654907 1277702491 /nfs/dbraw/zinc/70/24/91/1277702491.db2.gz JMACSGRSUNLGKL-CRAIPNDOSA-N 1 0 348.491 2.257 10 10 EECERO CC(C)[C@H]([NH3+])CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000851680489 1277715894 /nfs/dbraw/zinc/71/58/94/1277715894.db2.gz KCLNKVKCHXGEBA-GOSISDBHSA-N 1 0 348.491 2.038 10 10 EECERO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000852857481 1292216446 /nfs/dbraw/zinc/21/64/46/1292216446.db2.gz UVMFXMOLWUSNBI-UHFFFAOYSA-N 1 0 343.471 2.143 10 10 EECERO COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1C ZINC000858306825 1294077255 /nfs/dbraw/zinc/07/72/55/1294077255.db2.gz TVACKEPKRISYRQ-IBGZPJMESA-N 1 0 341.455 2.389 10 10 EECERO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000860156239 1294840818 /nfs/dbraw/zinc/84/08/18/1294840818.db2.gz HRSYLBGZOHBMHO-HIFRSBDPSA-N 1 0 335.335 2.045 10 10 EECERO C[NH2+]CCOCC[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000863646789 1296364063 /nfs/dbraw/zinc/36/40/63/1296364063.db2.gz FLWYODRBEAEOEY-UHFFFAOYSA-N 1 0 331.254 2.131 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)ccc1O ZINC000927136307 1297032592 /nfs/dbraw/zinc/03/25/92/1297032592.db2.gz QHQVJIBZKFVVNH-LKFCYVNXSA-N 1 0 340.221 2.272 10 10 EECERO CC(C)OCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001277259303 1302045667 /nfs/dbraw/zinc/04/56/67/1302045667.db2.gz LXLWMRDCSLRHPK-UHFFFAOYSA-N 1 0 347.419 2.126 10 10 EECERO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117596156 1306122633 /nfs/dbraw/zinc/12/26/33/1306122633.db2.gz WMNDVDAHICVEBX-KRWDZBQOSA-N 1 0 337.483 2.416 10 10 EECERO Cc1cc(O)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(Cl)c1 ZINC000840948342 1315443353 /nfs/dbraw/zinc/44/33/53/1315443353.db2.gz PMHVBUXYOBLOFN-UHFFFAOYSA-N 1 0 346.880 2.115 10 10 EECERO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000840978980 1315451145 /nfs/dbraw/zinc/45/11/45/1315451145.db2.gz YFKXQBPDHQECFM-NSHDSACASA-N 1 0 345.848 2.392 10 10 EECERO CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)C2CCCCC2)[NH+](C)C)cc1 ZINC001304769697 1331396265 /nfs/dbraw/zinc/39/62/65/1331396265.db2.gz XSBGPEPLDCAQBF-RTBURBONSA-N 1 0 347.503 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cn(C)nc2C)cc1C ZINC001319437815 1332701341 /nfs/dbraw/zinc/70/13/41/1332701341.db2.gz WZEPOGPTQODEQQ-AWEZNQCLSA-N 1 0 344.459 2.296 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cncnc3)CCC2)cc1C ZINC001326808330 1334163126 /nfs/dbraw/zinc/16/31/26/1334163126.db2.gz COXJCFBGFHOEPN-UHFFFAOYSA-N 1 0 340.427 2.236 10 10 EECERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2COCC3)cc1 ZINC001328437689 1334458669 /nfs/dbraw/zinc/45/86/69/1334458669.db2.gz RPDKXPSIKXNTBY-LJQANCHMSA-N 1 0 339.439 2.255 10 10 EECERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(F)(F)F)cc2)CC1 ZINC001333134413 1335968618 /nfs/dbraw/zinc/96/86/18/1335968618.db2.gz WLKUPJKZNAJOKV-HUUCEWRRSA-N 1 0 341.377 2.253 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(=O)[nH]c2)cc1C ZINC001567076859 1342691855 /nfs/dbraw/zinc/69/18/55/1342691855.db2.gz VXNTXLLGWYJQGX-CYBMUJFWSA-N 1 0 329.400 2.012 10 10 EECERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001632049654 1352592564 /nfs/dbraw/zinc/59/25/64/1352592564.db2.gz NAUPRQFNSSMERK-GOSISDBHSA-N 1 0 333.476 2.464 10 10 EECERO CC[C@@H](CNC(=O)c1cnn(C)c1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665760338 1355383133 /nfs/dbraw/zinc/38/31/33/1355383133.db2.gz QAFRRLVYABOWQQ-INIZCTEOSA-N 1 0 344.459 2.344 10 10 EECERO CC[C@H](CNC(=O)c1cnnc(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665782583 1355388048 /nfs/dbraw/zinc/38/80/48/1355388048.db2.gz QDSXDECGOXFTBA-QGZVFWFLSA-N 1 0 342.443 2.400 10 10 EECERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824632903 788250319 /nfs/dbraw/zinc/25/03/19/788250319.db2.gz TVBVPVVPACWBCU-LBPRGKRZSA-N 1 0 327.222 2.385 10 10 EECERO CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824913118 788345042 /nfs/dbraw/zinc/34/50/42/788345042.db2.gz ILVDWAWIEIWDEJ-UHFFFAOYSA-N 1 0 340.851 2.471 10 10 EECERO COc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1O ZINC000785581114 806528311 /nfs/dbraw/zinc/52/83/11/806528311.db2.gz CKRFLEISBIWXSU-GTNSWQLSSA-N 1 0 331.368 2.341 10 10 EECERO NC(=O)CC1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000789552297 808061034 /nfs/dbraw/zinc/06/10/34/808061034.db2.gz CZGQYKUUFWJKNU-UHFFFAOYSA-N 1 0 346.431 2.473 10 10 EECERO C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000793091782 810134865 /nfs/dbraw/zinc/13/48/65/810134865.db2.gz GJDLPPGEYJQNPR-CYBMUJFWSA-N 1 0 345.409 2.270 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]2CCOC2)cc1C ZINC001495633890 1101364217 /nfs/dbraw/zinc/36/42/17/1101364217.db2.gz ILVRGXRMIONDPM-PBHICJAKSA-N 1 0 334.460 2.272 10 10 EECERO CCn1ccc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001495753570 1101534563 /nfs/dbraw/zinc/53/45/63/1101534563.db2.gz PLTASUUZBDAEAM-CQSZACIVSA-N 1 0 344.459 2.376 10 10 EECERO c1cn(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nn1 ZINC000092070137 237036655 /nfs/dbraw/zinc/03/66/55/237036655.db2.gz MBJMUTHVTXXPOL-GOSISDBHSA-N 1 0 341.459 2.027 10 10 EECERO O=c1cc(C[NH+]2CCC(n3cccn3)CC2)c2cc(O)c(O)cc2o1 ZINC000097376411 219019519 /nfs/dbraw/zinc/01/95/19/219019519.db2.gz VLDPUVHRWIKFKK-UHFFFAOYSA-N 1 0 341.367 2.238 10 10 EECERO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000527953610 317292583 /nfs/dbraw/zinc/29/25/83/317292583.db2.gz IRCLYORAFNWIDM-QCZZGDTMSA-N 1 0 330.222 2.345 10 10 EECERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298026691 465277739 /nfs/dbraw/zinc/27/77/39/465277739.db2.gz BEBMEAXMDYAEFZ-APWZRJJASA-N 1 0 346.519 2.031 10 10 EECERO Cc1cc(O)c(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1C ZINC000121560615 463157558 /nfs/dbraw/zinc/15/75/58/463157558.db2.gz DXAHEGXYABGEKC-UHFFFAOYSA-N 1 0 328.460 2.450 10 10 EECERO COc1ccc(O)c(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000180084057 464238579 /nfs/dbraw/zinc/23/85/79/464238579.db2.gz QNXCFOOHNFIMNH-FQEVSTJZSA-N 1 0 342.439 2.252 10 10 EECERO COCC[N@@H+]1CCN(Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000184690134 465018821 /nfs/dbraw/zinc/01/88/21/465018821.db2.gz BMFSQPXLWSVARL-LBPRGKRZSA-N 1 0 328.840 2.207 10 10 EECERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000372282054 466275241 /nfs/dbraw/zinc/27/52/41/466275241.db2.gz LBWYBRNTXXATMB-GJZGRUSLSA-N 1 0 338.423 2.434 10 10 EECERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000527804041 467665882 /nfs/dbraw/zinc/66/58/82/467665882.db2.gz ANHCUDGCGFYEAE-CQSZACIVSA-N 1 0 326.352 2.037 10 10 EECERO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(O)c1 ZINC000528297212 467678833 /nfs/dbraw/zinc/67/88/33/467678833.db2.gz UKEJYXRDZJRTIU-HNNXBMFYSA-N 1 0 333.432 2.217 10 10 EECERO COc1cccc(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1O ZINC000528723762 467739927 /nfs/dbraw/zinc/73/99/27/467739927.db2.gz WJQHWUVWABYGOR-UHFFFAOYSA-N 1 0 343.383 2.205 10 10 EECERO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@H]3C)cc2F)CC1 ZINC000730119092 576718922 /nfs/dbraw/zinc/71/89/22/576718922.db2.gz QGSFYUPHJARASI-GDBMZVCRSA-N 1 0 348.466 2.423 10 10 EECERO COc1cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc(OC)c1 ZINC000768444388 577555834 /nfs/dbraw/zinc/55/58/34/577555834.db2.gz YBTNHDDEUGDNDM-GOSISDBHSA-N 1 0 345.395 2.467 10 10 EECERO Oc1cccc(Br)c1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724579773 678534209 /nfs/dbraw/zinc/53/42/09/678534209.db2.gz SYCDOKVGXQOUPV-BFVZDQMLSA-N 1 0 328.206 2.048 10 10 EECERO CNC(=O)C1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000895884500 684760834 /nfs/dbraw/zinc/76/08/34/684760834.db2.gz PEIWKWXULZJURG-UHFFFAOYSA-N 1 0 331.460 2.062 10 10 EECERO C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000863544748 690718702 /nfs/dbraw/zinc/71/87/02/690718702.db2.gz ABNZTUBSDZESKJ-VIFPVBQESA-N 1 0 335.217 2.310 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CCOCC2)C2CC2)cc1C ZINC001266393563 1176466992 /nfs/dbraw/zinc/46/69/92/1176466992.db2.gz ZXTSHIHDTKIWNG-SFHVURJKSA-N 1 0 346.471 2.415 10 10 EECERO C[C@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)O1 ZINC001267476415 1179113250 /nfs/dbraw/zinc/11/32/50/1179113250.db2.gz BQDFXWLRJAOSIA-WFASDCNBSA-N 1 0 347.419 2.078 10 10 EECERO CC[C@H](CNC(=O)[C@H]1CCCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267798493 1180546122 /nfs/dbraw/zinc/54/61/22/1180546122.db2.gz RIGKQIAOLHDRBO-DLBZAZTESA-N 1 0 334.460 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2[nH]cnc2C)cc1C ZINC001268020277 1181002545 /nfs/dbraw/zinc/00/25/45/1181002545.db2.gz ZCQXVKKYPGLRII-GFCCVEGCSA-N 1 0 330.432 2.191 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ncccc3O)CC2)cc1C ZINC001670772665 1181180515 /nfs/dbraw/zinc/18/05/15/1181180515.db2.gz YMZAGGHRAOISTC-UHFFFAOYSA-N 1 0 341.411 2.156 10 10 EECERO COc1ccc(C[NH2+]CCN(CCO)C(=O)C2CC3(CC3)C2)cc1C ZINC001484493899 1191383410 /nfs/dbraw/zinc/38/34/10/1191383410.db2.gz MMQQIKRLJJSDEA-UHFFFAOYSA-N 1 0 346.471 2.104 10 10 EECERO CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(F)cc1[O-] ZINC000925850743 1206160416 /nfs/dbraw/zinc/16/04/16/1206160416.db2.gz PTJZUPCPCBELIY-ZFWWWQNUSA-N 1 0 336.407 2.257 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCOC34CCOCC4)C2)cc1 ZINC000926680861 1206237083 /nfs/dbraw/zinc/23/70/83/1206237083.db2.gz STKXWAIJHFVIGY-QAPCUYQASA-N 1 0 332.444 2.202 10 10 EECERO Cc1nnccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000930818793 1206585692 /nfs/dbraw/zinc/58/56/92/1206585692.db2.gz OKIPQXUXVGJKDE-QGZVFWFLSA-N 1 0 342.447 2.275 10 10 EECERO c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903074135 1239668931 /nfs/dbraw/zinc/66/89/31/1239668931.db2.gz RYVICKGEDCONGS-ROUUACIJSA-N 1 0 334.485 2.277 10 10 EECERO COc1cc(Br)cc(CN2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000903984445 1242866958 /nfs/dbraw/zinc/86/69/58/1242866958.db2.gz ADZNMUMRXKVHOQ-LBPRGKRZSA-N 1 0 329.238 2.332 10 10 EECERO CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000850322673 1277171552 /nfs/dbraw/zinc/17/15/52/1277171552.db2.gz CTFHYTACWGEETQ-UONOGXRCSA-N 1 0 326.387 2.459 10 10 EECERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)C1 ZINC000850426515 1277221263 /nfs/dbraw/zinc/22/12/63/1277221263.db2.gz VXJMCDPLGPIKSQ-IAGOWNOFSA-N 1 0 343.471 2.190 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2n[nH]cc2C)C2CC2)cc1C ZINC001490661208 1291582560 /nfs/dbraw/zinc/58/25/60/1291582560.db2.gz LQKMRIAYLYNTKA-MRXNPFEDSA-N 1 0 342.443 2.333 10 10 EECERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000852351569 1292096650 /nfs/dbraw/zinc/09/66/50/1292096650.db2.gz QFXFWHKGDLGMPF-VMGRFDJRSA-N 1 0 339.407 2.390 10 10 EECERO O=C(C=C1CC[NH2+]CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000852882347 1292223800 /nfs/dbraw/zinc/22/38/00/1292223800.db2.gz DTHSMAPVSGHPST-QGZVFWFLSA-N 1 0 330.428 2.210 10 10 EECERO CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000858494857 1294133959 /nfs/dbraw/zinc/13/39/59/1294133959.db2.gz PLGZORATPNIVRU-PEXQALLHSA-N 1 0 327.222 2.459 10 10 EECERO C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H](C)[C@H]1O ZINC001118658448 1308915369 /nfs/dbraw/zinc/91/53/69/1308915369.db2.gz XSWVWAULGCRZMI-QWHZDKJVSA-N 1 0 335.467 2.026 10 10 EECERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC001118803985 1308943918 /nfs/dbraw/zinc/94/39/18/1308943918.db2.gz UQQQATCNNGCWID-QMTHXVAHSA-N 1 0 346.265 2.402 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)Cc2ccon2)C2CC2)cc1C ZINC001276564527 1324353759 /nfs/dbraw/zinc/35/37/59/1324353759.db2.gz XAFHNTFBEYIUSY-KRWDZBQOSA-N 1 0 343.427 2.219 10 10 EECERO CC[C@H](C)C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000901676052 1331521155 /nfs/dbraw/zinc/52/11/55/1331521155.db2.gz VGZOALXGVLEULQ-YJBOKZPZSA-N 1 0 333.476 2.417 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc(C)nn1C ZINC001320692812 1332936044 /nfs/dbraw/zinc/93/60/44/1332936044.db2.gz RVSVLBLAKMXPBV-UHFFFAOYSA-N 1 0 344.459 2.297 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+]CCOCCCO)c1O ZINC001326848260 1334169991 /nfs/dbraw/zinc/16/99/91/1334169991.db2.gz ZQPMEYFRAMMBPY-JTQLQIEISA-N 1 0 348.237 2.213 10 10 EECERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC001329307709 1334624345 /nfs/dbraw/zinc/62/43/45/1334624345.db2.gz SUIGPVZCCZLCHD-SNUQEOBHSA-N 1 0 332.400 2.060 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c1O ZINC000848534330 1338716572 /nfs/dbraw/zinc/71/65/72/1338716572.db2.gz ZFFRLKSJSUXWFN-YUMQZZPRSA-N 1 0 331.210 2.078 10 10 EECERO CCOC1CC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567013878 1342678436 /nfs/dbraw/zinc/67/84/36/1342678436.db2.gz RQXVFTLWIXXIQS-ODIFPOPNSA-N 1 0 334.460 2.413 10 10 EECERO COc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001629508688 1352554175 /nfs/dbraw/zinc/55/41/75/1352554175.db2.gz KFBXXTVUTZOEPY-UHFFFAOYSA-N 1 0 330.384 2.349 10 10 EECERO CCc1nn(C)cc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001662249416 1354769045 /nfs/dbraw/zinc/76/90/45/1354769045.db2.gz JALYREMUGSCONB-CQSZACIVSA-N 1 0 344.459 2.208 10 10 EECERO COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846674450 790365799 /nfs/dbraw/zinc/36/57/99/790365799.db2.gz XWQAUEOUSHWFNE-RBUKOAKNSA-N 1 0 343.471 2.311 10 10 EECERO Cc1cc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c(C)n1-c1ccccc1 ZINC000913166493 788674201 /nfs/dbraw/zinc/67/42/01/788674201.db2.gz CDEJWKQFCVOCMD-AZUAARDMSA-N 1 0 341.455 2.165 10 10 EECERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Br)cc1O ZINC000846191053 790084560 /nfs/dbraw/zinc/08/45/60/790084560.db2.gz AHXMXPKTRCNYMX-QMTHXVAHSA-N 1 0 330.222 2.347 10 10 EECERO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC001175419470 798101656 /nfs/dbraw/zinc/10/16/56/798101656.db2.gz UUEGGLSZBLFXFY-LBPRGKRZSA-N 1 0 328.368 2.468 10 10 EECERO CO[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCSC1 ZINC000922571147 801348270 /nfs/dbraw/zinc/34/82/70/801348270.db2.gz PHGYTHFYESOKFE-SFHVURJKSA-N 1 0 336.501 2.259 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1cc(C)on1 ZINC001497361208 1102382022 /nfs/dbraw/zinc/38/20/22/1102382022.db2.gz AOKOQQOSXJWSFO-UHFFFAOYSA-N 1 0 345.443 2.481 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)COc2cccnc2)cc1C ZINC001493730526 1108584720 /nfs/dbraw/zinc/58/47/20/1108584720.db2.gz AIBMEYLVNJAVGQ-UHFFFAOYSA-N 1 0 343.427 2.026 10 10 EECERO CN(CC[NH2+]Cc1cccnc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493809092 1108688536 /nfs/dbraw/zinc/68/85/36/1108688536.db2.gz FGJICTYCOLUIFV-UHFFFAOYSA-N 1 0 340.387 2.106 10 10 EECERO CCCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]n1 ZINC001456938806 1109374499 /nfs/dbraw/zinc/37/44/99/1109374499.db2.gz YXYRGJXTIKSHNN-GOSISDBHSA-N 1 0 343.475 2.461 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2csc(=O)[nH]2)cc1C ZINC001569013130 1125041116 /nfs/dbraw/zinc/04/11/16/1125041116.db2.gz CTAIJQPHHNHSII-LLVKDONJSA-N 1 0 335.429 2.074 10 10 EECERO COCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569156366 1125133395 /nfs/dbraw/zinc/13/33/95/1125133395.db2.gz XNGRGQYSRCYXLY-IAGOWNOFSA-N 1 0 334.460 2.415 10 10 EECERO CCn1nccc1N1CCC[C@H]([NH2+]Cc2cc(C)ccc2O)C1=O ZINC000191638255 237266051 /nfs/dbraw/zinc/26/60/51/237266051.db2.gz YLXSNNHPVYHOGD-HNNXBMFYSA-N 1 0 328.416 2.202 10 10 EECERO COc1cccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1O ZINC000093272056 533476820 /nfs/dbraw/zinc/47/68/20/533476820.db2.gz MUUQHXPPLIANNL-UHFFFAOYSA-N 1 0 328.416 2.212 10 10 EECERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(N(C)C)cc1 ZINC000776237559 577455390 /nfs/dbraw/zinc/45/53/90/577455390.db2.gz HHJJETFBVQDWIA-CRAIPNDOSA-N 1 0 328.460 2.469 10 10 EECERO CNC(=O)CCC[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000753807924 577794083 /nfs/dbraw/zinc/79/40/83/577794083.db2.gz JYVIFPHGXGQTPG-UHFFFAOYSA-N 1 0 344.411 2.290 10 10 EECERO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000310051541 679813294 /nfs/dbraw/zinc/81/32/94/679813294.db2.gz ABYZGXFVOKBWBF-SNAWJCMRSA-N 1 0 336.388 2.291 10 10 EECERO CCOc1cccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1O ZINC000895341183 684516780 /nfs/dbraw/zinc/51/67/80/684516780.db2.gz FOJFQHRSLGIPHY-HNNXBMFYSA-N 1 0 333.432 2.171 10 10 EECERO CCCn1cc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000903089913 694198711 /nfs/dbraw/zinc/19/87/11/694198711.db2.gz WVUYIKJNQLNZDZ-INIZCTEOSA-N 1 0 342.491 2.291 10 10 EECERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ccn(C)n2)cc1C ZINC001485750171 1191931225 /nfs/dbraw/zinc/93/12/25/1191931225.db2.gz XHEVUXHDYKMZFL-HNNXBMFYSA-N 1 0 344.459 2.425 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2snnc2C)cc1C ZINC001691256254 1177776611 /nfs/dbraw/zinc/77/66/11/1177776611.db2.gz YHIMELQXQZNJBF-UHFFFAOYSA-N 1 0 334.445 2.025 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2ccncn2)cc1C ZINC001266943056 1177860036 /nfs/dbraw/zinc/86/00/36/1177860036.db2.gz NMOBFOVHIVWWJK-HNNXBMFYSA-N 1 0 342.443 2.021 10 10 EECERO COc1ccnc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001691424021 1178036233 /nfs/dbraw/zinc/03/62/33/1178036233.db2.gz XPNMAMWCIHOXIU-UHFFFAOYSA-N 1 0 343.427 2.269 10 10 EECERO COc1cccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001268668218 1183595809 /nfs/dbraw/zinc/59/58/09/1183595809.db2.gz OXVHVWNQHOYFEF-CQSZACIVSA-N 1 0 343.427 2.315 10 10 EECERO COc1cc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001485139916 1191669859 /nfs/dbraw/zinc/66/98/59/1191669859.db2.gz NCZZCHIFOZEYFD-QWHCGFSZSA-N 1 0 347.415 2.297 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccnn3C)CCC2)cc1C ZINC001273055111 1194358778 /nfs/dbraw/zinc/35/87/78/1194358778.db2.gz FBKYEVFXCUTSCT-UHFFFAOYSA-N 1 0 342.443 2.179 10 10 EECERO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000796765309 1213040683 /nfs/dbraw/zinc/04/06/83/1213040683.db2.gz YKBCCMPSJIIPAU-ZWKOTPCHSA-N 1 0 336.501 2.446 10 10 EECERO c1c[nH]c(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000092855886 1214678699 /nfs/dbraw/zinc/67/86/99/1214678699.db2.gz XCPRCBQSPVYBCG-UHFFFAOYSA-N 1 0 325.460 2.232 10 10 EECERO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)[nH]1 ZINC000826845096 1248089553 /nfs/dbraw/zinc/08/95/53/1248089553.db2.gz FIYIVGUIWIBLIZ-CQSZACIVSA-N 1 0 329.400 2.178 10 10 EECERO Fc1cc(C[NH2+]Cc2cnn3c2CCC3)cc(F)c1N1CCOCC1 ZINC000850324040 1277171518 /nfs/dbraw/zinc/17/15/18/1277171518.db2.gz XWDRGRZTEWJHMC-UHFFFAOYSA-N 1 0 348.397 2.234 10 10 EECERO OCCO[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000850358054 1277197094 /nfs/dbraw/zinc/19/70/94/1277197094.db2.gz FFAJGYGHQRMIHT-HXUWFJFHSA-N 1 0 343.423 2.317 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CCCC[NH3+])C2)cc1 ZINC000851667346 1277709630 /nfs/dbraw/zinc/70/96/30/1277709630.db2.gz NVCVAERIUZEQGT-HUUCEWRRSA-N 1 0 334.464 2.091 10 10 EECERO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CCOCC1 ZINC000852321982 1292091926 /nfs/dbraw/zinc/09/19/26/1292091926.db2.gz XZICSAXTBHMYGJ-MRXNPFEDSA-N 1 0 325.380 2.265 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@](C)([NH3+])c3ccccc3)C2)cc1 ZINC000852900108 1292227954 /nfs/dbraw/zinc/22/79/54/1292227954.db2.gz IGHWCLHZNOJEKE-OXJNMPFZSA-N 1 0 339.439 2.264 10 10 EECERO CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000854297748 1292709533 /nfs/dbraw/zinc/70/95/33/1292709533.db2.gz WDMNZNSXIMXMDO-NVXWUHKLSA-N 1 0 346.475 2.010 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cc1 ZINC000855233003 1293122299 /nfs/dbraw/zinc/12/22/99/1293122299.db2.gz DHYMPQMBBABVKR-INIZCTEOSA-N 1 0 331.460 2.122 10 10 EECERO Oc1cccc(Br)c1C[NH2+]CCc1nnc2n1CCC2 ZINC000858096232 1294004827 /nfs/dbraw/zinc/00/48/27/1294004827.db2.gz XEGXJECUKZKHBU-UHFFFAOYSA-N 1 0 337.221 2.025 10 10 EECERO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000861684429 1295504554 /nfs/dbraw/zinc/50/45/54/1295504554.db2.gz DHDGTZXPZSKYEY-JKSUJKDBSA-N 1 0 346.475 2.057 10 10 EECERO COCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001276977105 1300625946 /nfs/dbraw/zinc/62/59/46/1300625946.db2.gz GWNMUQPAGQWHMR-HNNXBMFYSA-N 1 0 347.419 2.080 10 10 EECERO CN(C)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000841760983 1315609863 /nfs/dbraw/zinc/60/98/63/1315609863.db2.gz NIAFAGALOQCENN-YIONKMFJSA-N 1 0 334.439 2.316 10 10 EECERO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1O ZINC000842884877 1315791976 /nfs/dbraw/zinc/79/19/76/1315791976.db2.gz UVTUOKSKVASNLT-STQMWFEESA-N 1 0 333.409 2.278 10 10 EECERO CCn1nccc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317234685 1332146656 /nfs/dbraw/zinc/14/66/56/1332146656.db2.gz NTHRJZLBTPTFPI-AWEZNQCLSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+][C@H](CCNC(=O)c2cn[nH]n2)C(C)C)cc1C ZINC001331203623 1334979659 /nfs/dbraw/zinc/97/96/59/1334979659.db2.gz XIVWVDYMEYVFLO-OAHLLOKOSA-N 1 0 345.447 2.056 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C ZINC001331757065 1335067440 /nfs/dbraw/zinc/06/74/40/1335067440.db2.gz HPEJZMVKSPYJBR-BRWVUGGUSA-N 1 0 348.487 2.253 10 10 EECERO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)c1 ZINC001610392168 1352215120 /nfs/dbraw/zinc/21/51/20/1352215120.db2.gz GJSMIGKOJFHOEW-ZIAGYGMSSA-N 1 0 341.411 2.500 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2cnc(C)o2)cc1C ZINC001567507367 1342774802 /nfs/dbraw/zinc/77/48/02/1342774802.db2.gz BOZLWNMRJNOSMZ-UHFFFAOYSA-N 1 0 331.416 2.091 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCn2cccc2)cc1C ZINC001669434375 1356158703 /nfs/dbraw/zinc/15/87/03/1356158703.db2.gz MNDXZZQCLIRVDK-MRXNPFEDSA-N 1 0 329.444 2.490 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)NC2CC(C[NH2+]CCCF)C2)cc1 ZINC001674611488 1356863829 /nfs/dbraw/zinc/86/38/29/1356863829.db2.gz HOPVXEJSWWQJHX-UHFFFAOYSA-N 1 0 335.383 2.307 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]CCCF)C2)cc1 ZINC001675832247 1357052729 /nfs/dbraw/zinc/05/27/29/1357052729.db2.gz HOPVXEJSWWQJHX-YEORSEQZSA-N 1 0 335.383 2.307 10 10 EECERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)[C@H]1n1cccn1 ZINC000816672828 784184221 /nfs/dbraw/zinc/18/42/21/784184221.db2.gz LKZYHZFAKBTPDT-FSPWUOQZSA-N 1 0 347.415 2.114 10 10 EECERO C[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000846140515 790072497 /nfs/dbraw/zinc/07/24/97/790072497.db2.gz VXVOUKHKQPJJKE-HNNXBMFYSA-N 1 0 346.475 2.012 10 10 EECERO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785985244 806657661 /nfs/dbraw/zinc/65/76/61/806657661.db2.gz NLOCFEWPYAZLOB-KRWDZBQOSA-N 1 0 339.505 2.176 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001497046947 1101886358 /nfs/dbraw/zinc/88/63/58/1101886358.db2.gz PQURJGDHNLIDAQ-SJORKVTESA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2cnc(C)o2)cc1C ZINC001496077654 1102020084 /nfs/dbraw/zinc/02/00/84/1102020084.db2.gz FYAAOQBEZIZNPY-AWEZNQCLSA-N 1 0 345.443 2.479 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2nccc(C)n2)cc1C ZINC001497569567 1102680669 /nfs/dbraw/zinc/68/06/69/1102680669.db2.gz VFTSCBFOUZQUDL-SNAWJCMRSA-N 1 0 340.427 2.178 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)n2cccn2)cc1C ZINC001480749741 1107046980 /nfs/dbraw/zinc/04/69/80/1107046980.db2.gz MDXUHOWZFVDAII-CVEARBPZSA-N 1 0 344.459 2.446 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cncnc2C)cc1C ZINC001568159863 1124333871 /nfs/dbraw/zinc/33/38/71/1124333871.db2.gz APARUVYDTMLUMR-CYBMUJFWSA-N 1 0 342.443 2.258 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccnnc2C)cc1C ZINC001568285091 1124404439 /nfs/dbraw/zinc/40/44/39/1124404439.db2.gz ZYSGDGYXRRVAOD-CQSZACIVSA-N 1 0 342.443 2.352 10 10 EECERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cnccn2)cc1C ZINC001568601285 1124625405 /nfs/dbraw/zinc/62/54/05/1124625405.db2.gz HNMVGQBAOOCPGG-CQSZACIVSA-N 1 0 328.416 2.092 10 10 EECERO Cc1cc(O)c(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1C ZINC000054520606 214242262 /nfs/dbraw/zinc/24/22/62/214242262.db2.gz PBKAMVPJJRNXTR-UHFFFAOYSA-N 1 0 342.443 2.137 10 10 EECERO COc1cc(N(C)C(=O)c2ccccc2CC[NH3+])cc(OC)c1OC ZINC000573101150 319904905 /nfs/dbraw/zinc/90/49/05/319904905.db2.gz CAJNMIDYNQDUNY-UHFFFAOYSA-N 1 0 344.411 2.490 10 10 EECERO CCC[C@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)[NH+](C)C ZINC000153009196 462605278 /nfs/dbraw/zinc/60/52/78/462605278.db2.gz UNEMWCQPNITJLI-MRXNPFEDSA-N 1 0 337.439 2.213 10 10 EECERO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175225585 464508347 /nfs/dbraw/zinc/50/83/47/464508347.db2.gz RHJVQTCJMRDQRC-LJQANCHMSA-N 1 0 338.455 2.219 10 10 EECERO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282825352 464963996 /nfs/dbraw/zinc/96/39/96/464963996.db2.gz NPXXCPURGOTXMO-KDOFPFPSSA-N 1 0 335.444 2.448 10 10 EECERO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000366494513 465763718 /nfs/dbraw/zinc/76/37/18/465763718.db2.gz ZEKSENMSMSSSPW-XLIONFOSSA-N 1 0 346.471 2.293 10 10 EECERO COc1cccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000367702063 466500857 /nfs/dbraw/zinc/50/08/57/466500857.db2.gz LUESGXLSTFDOEB-UHFFFAOYSA-N 1 0 348.428 2.103 10 10 EECERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901750 490684374 /nfs/dbraw/zinc/68/43/74/490684374.db2.gz SQCOFQOKPLHHHY-GOSISDBHSA-N 1 0 328.460 2.276 10 10 EECERO CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1CCOC ZINC000117399053 529274285 /nfs/dbraw/zinc/27/42/85/529274285.db2.gz WTFYCRAZJYFDAI-KRWDZBQOSA-N 1 0 348.491 2.005 10 10 EECERO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000775352233 577435779 /nfs/dbraw/zinc/43/57/79/577435779.db2.gz QMNGBKBVEJHNED-NWDGAFQWSA-N 1 0 336.388 2.077 10 10 EECERO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCCC3(C)C)CC2)cc1 ZINC000754028767 577798892 /nfs/dbraw/zinc/79/88/92/577798892.db2.gz AQDFURORQNKYSH-SFHVURJKSA-N 1 0 347.503 2.053 10 10 EECERO COC(=O)c1c(CNCc2cc(C)nn2C)c2cc(F)ccc2n1C ZINC000894687178 683031245 /nfs/dbraw/zinc/03/12/45/683031245.db2.gz IZDNPLCMOJHDEC-UHFFFAOYSA-N 1 0 344.390 2.436 10 10 EECERO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000895813911 684734286 /nfs/dbraw/zinc/73/42/86/684734286.db2.gz KBCCSJKGMDNSSG-MJGOQNOKSA-N 1 0 343.471 2.045 10 10 EECERO C[NH+](C)CCn1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000895998243 684797883 /nfs/dbraw/zinc/79/78/83/684797883.db2.gz VDXHCSAZCODHOI-UHFFFAOYSA-N 1 0 346.412 2.323 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2[nH]cnc2C)cc1C ZINC001268020282 1181002462 /nfs/dbraw/zinc/00/24/62/1181002462.db2.gz ZCQXVKKYPGLRII-LBPRGKRZSA-N 1 0 330.432 2.191 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCO[C@H]1C ZINC001268487514 1182971133 /nfs/dbraw/zinc/97/11/33/1182971133.db2.gz STQLNTRINGGTID-RDJZCZTQSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2=CCOCC2)cc1C ZINC001268534773 1183194550 /nfs/dbraw/zinc/19/45/50/1183194550.db2.gz RAKTYYKYTFBRKM-ARJAWSKDSA-N 1 0 330.428 2.112 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2cccnc2)cc1C ZINC001270386635 1185066938 /nfs/dbraw/zinc/06/69/38/1185066938.db2.gz WHZNFKGGOKRXOF-HNNXBMFYSA-N 1 0 341.455 2.483 10 10 EECERO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[NH2+]1 ZINC000841989664 1188215440 /nfs/dbraw/zinc/21/54/40/1188215440.db2.gz WAHAHMUZWWKXLE-BXKDBHETSA-N 1 0 342.237 2.094 10 10 EECERO CCc1c(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cnn1C ZINC001483244683 1190273261 /nfs/dbraw/zinc/27/32/61/1190273261.db2.gz YYKRJRIVAYSEPM-AWEZNQCLSA-N 1 0 344.459 2.208 10 10 EECERO C[C@@H](O)CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483424093 1190471256 /nfs/dbraw/zinc/47/12/56/1190471256.db2.gz NGXUZGJVIXKORJ-CHWSQXEVSA-N 1 0 349.435 2.060 10 10 EECERO CCn1cnc(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)c1 ZINC001670890256 1191007918 /nfs/dbraw/zinc/00/79/18/1191007918.db2.gz WIDFXTZUOOTVKE-UHFFFAOYSA-N 1 0 342.443 2.272 10 10 EECERO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1Cl ZINC000825893124 1199730301 /nfs/dbraw/zinc/73/03/01/1199730301.db2.gz PRZKJIZZTLDOQV-CYBMUJFWSA-N 1 0 346.880 2.258 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000221884786 1204218259 /nfs/dbraw/zinc/21/82/59/1204218259.db2.gz CNCPOGVCZJCFSJ-ZQMJAJRESA-N 1 0 345.399 2.456 10 10 EECERO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933674178 1207812159 /nfs/dbraw/zinc/81/21/59/1207812159.db2.gz JECRSDOLZYCWHB-QUCCMNQESA-N 1 0 346.471 2.151 10 10 EECERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000826957853 1248192131 /nfs/dbraw/zinc/19/21/31/1248192131.db2.gz IXDLGQQTAMHBPF-GOEBONIOSA-N 1 0 337.416 2.118 10 10 EECERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)C1 ZINC000850426518 1277221286 /nfs/dbraw/zinc/22/12/86/1277221286.db2.gz VXJMCDPLGPIKSQ-IRXDYDNUSA-N 1 0 343.471 2.190 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cn(CC)cn1 ZINC001273710238 1283869507 /nfs/dbraw/zinc/86/95/07/1283869507.db2.gz NUEDJLDXNDIXFY-UHFFFAOYSA-N 1 0 344.459 2.472 10 10 EECERO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000852695207 1292166214 /nfs/dbraw/zinc/16/62/14/1292166214.db2.gz AYIOXSCGBUSYDA-CYBMUJFWSA-N 1 0 336.407 2.471 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000852844784 1292214459 /nfs/dbraw/zinc/21/44/59/1292214459.db2.gz ZQFWFXGTCIOORU-RDJZCZTQSA-N 1 0 345.487 2.416 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)cc1 ZINC000855224967 1293117588 /nfs/dbraw/zinc/11/75/88/1293117588.db2.gz GZCQYXLLPKAMBO-AWEZNQCLSA-N 1 0 340.427 2.165 10 10 EECERO CC(C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1 ZINC000858294731 1294073915 /nfs/dbraw/zinc/07/39/15/1294073915.db2.gz RQLOUNFXYCJZDH-UHFFFAOYSA-N 1 0 345.487 2.261 10 10 EECERO OC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000862529075 1295869148 /nfs/dbraw/zinc/86/91/48/1295869148.db2.gz OVTFRMGCRTVSDJ-QFBILLFUSA-N 1 0 334.435 2.257 10 10 EECERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ccnnc2)cc1C ZINC001277306744 1302299450 /nfs/dbraw/zinc/29/94/50/1302299450.db2.gz ZICNKSRDJQADJV-OAHLLOKOSA-N 1 0 342.443 2.482 10 10 EECERO CCOc1ccc(N2CC[NH+](C[C@@H](OC)[C@@H]3CCOC3)CC2)cc1 ZINC001118496018 1308868439 /nfs/dbraw/zinc/86/84/39/1308868439.db2.gz KVTWHKFJLGIDJL-VQIMIIECSA-N 1 0 334.460 2.259 10 10 EECERO COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088479 1315472116 /nfs/dbraw/zinc/47/21/16/1315472116.db2.gz XIEPPSKARHPCOC-TZMCWYRMSA-N 1 0 335.404 2.273 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1F ZINC000841798956 1315615376 /nfs/dbraw/zinc/61/53/76/1315615376.db2.gz OEYSGGUXDOUWCQ-CZUORRHYSA-N 1 0 336.455 2.469 10 10 EECERO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000842000774 1315649478 /nfs/dbraw/zinc/64/94/78/1315649478.db2.gz JTSOLVORRQWNBD-ZJUUUORDSA-N 1 0 344.253 2.422 10 10 EECERO Cc1cc(C(=O)CN(C)[C@@H](C)C[NH3+])c(C)n1-c1ccc2c(c1)OCO2 ZINC000843350024 1315896889 /nfs/dbraw/zinc/89/68/89/1315896889.db2.gz DCWDFKQXNZGNPZ-ZDUSSCGKSA-N 1 0 343.427 2.285 10 10 EECERO CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1O ZINC000843378021 1315903987 /nfs/dbraw/zinc/90/39/87/1315903987.db2.gz GKQDAXCSLXWWLX-QGZVFWFLSA-N 1 0 329.375 2.275 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)C2CC3(CC3)C2)cc1C ZINC001278804120 1318171180 /nfs/dbraw/zinc/17/11/80/1318171180.db2.gz MEUIVTBFOGYVHD-QGZVFWFLSA-N 1 0 346.471 2.103 10 10 EECERO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@]4(C)C3)cc2F)CC1 ZINC001261688881 1322155389 /nfs/dbraw/zinc/15/53/89/1322155389.db2.gz YIDCZJYWHJLRQL-APWZRJJASA-N 1 0 333.451 2.046 10 10 EECERO CCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001317229417 1332145245 /nfs/dbraw/zinc/14/52/45/1332145245.db2.gz DRAQCIDLNZUEQJ-AWEZNQCLSA-N 1 0 330.432 2.128 10 10 EECERO C[NH+]1CCN(c2ccc(CN3CCO[C@](C)(C(F)F)C3)cc2)CC1 ZINC001328019603 1334379974 /nfs/dbraw/zinc/37/99/74/1334379974.db2.gz PRPLTIJXEHPAIC-SFHVURJKSA-N 1 0 339.430 2.294 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCC2(C)C)cc1C ZINC001332559530 1335849196 /nfs/dbraw/zinc/84/91/96/1335849196.db2.gz DEMSASVTDQCHNZ-IAGOWNOFSA-N 1 0 348.487 2.349 10 10 EECERO Cc1cc(C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)ccc1N1CCCCC1 ZINC001620536447 1352359924 /nfs/dbraw/zinc/35/99/24/1352359924.db2.gz VEKTUCHAYLRETE-MRXNPFEDSA-N 1 0 326.448 2.488 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ncccc2O)cc1C ZINC001666535344 1355540517 /nfs/dbraw/zinc/54/05/17/1355540517.db2.gz ARGBNSQKNZISQW-CYBMUJFWSA-N 1 0 343.427 2.260 10 10 EECERO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cn(C)nn2)c1O ZINC000779048990 784052142 /nfs/dbraw/zinc/05/21/42/784052142.db2.gz FLAIXWUATOCQTH-SECBINFHSA-N 1 0 325.210 2.442 10 10 EECERO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC34CC4)CC2)cc1 ZINC000817423519 784779780 /nfs/dbraw/zinc/77/97/80/784779780.db2.gz LPPSHXBYALGCNT-SFHVURJKSA-N 1 0 343.471 2.124 10 10 EECERO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136692503 787653483 /nfs/dbraw/zinc/65/34/83/787653483.db2.gz AJNHXSPYFNBJFR-HNNXBMFYSA-N 1 0 347.419 2.032 10 10 EECERO COc1ccc(N2CC[NH+](Cc3c(O)cccc3OC)CC2)nc1 ZINC000825305258 788558921 /nfs/dbraw/zinc/55/89/21/788558921.db2.gz FYUTZBFKEFOZHH-UHFFFAOYSA-N 1 0 329.400 2.127 10 10 EECERO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000785985245 806657946 /nfs/dbraw/zinc/65/79/46/806657946.db2.gz NLOCFEWPYAZLOB-QGZVFWFLSA-N 1 0 339.505 2.176 10 10 EECERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(CCF)c3)C2)cc1 ZINC000922197640 799780220 /nfs/dbraw/zinc/78/02/20/799780220.db2.gz WKVQCGKQGSONKR-HNNXBMFYSA-N 1 0 332.423 2.477 10 10 EECERO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1F ZINC000922733435 801785193 /nfs/dbraw/zinc/78/51/93/801785193.db2.gz AHXDYPMQBJYLFL-UHFFFAOYSA-N 1 0 334.432 2.191 10 10 EECERO O=C(NCCCSc1nccs1)N1CC[NH+]2CCC1CC2 ZINC000806959555 812035035 /nfs/dbraw/zinc/03/50/35/812035035.db2.gz WZHJOEIDPKXZIJ-UHFFFAOYSA-N 1 0 326.491 2.115 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001452830975 1105717152 /nfs/dbraw/zinc/71/71/52/1105717152.db2.gz FBKOLXWWZUCBDQ-OAHLLOKOSA-N 1 0 337.439 2.024 10 10 EECERO Nc1cc(CCCCNC(=O)/C=C\c2ccc(O)c(O)c2)cc[nH+]1 ZINC001472460450 1110556905 /nfs/dbraw/zinc/55/69/05/1110556905.db2.gz UCHXEYRVQMIAEQ-ALCCZGGFSA-N 1 0 327.384 2.227 10 10 EECERO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001545095473 1124178763 /nfs/dbraw/zinc/17/87/63/1124178763.db2.gz UZXBRGPGOUVEQY-KRWDZBQOSA-N 1 0 340.423 2.373 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@]2(F)CCOC2)cc1C ZINC001568668831 1124682513 /nfs/dbraw/zinc/68/25/13/1124682513.db2.gz DCXJQMUKTXRRBQ-KBXCAEBGSA-N 1 0 338.423 2.117 10 10 EECERO COCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001569156365 1125133599 /nfs/dbraw/zinc/13/35/99/1125133599.db2.gz XNGRGQYSRCYXLY-DLBZAZTESA-N 1 0 334.460 2.415 10 10 EECERO F[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N(c2cccnn2)C1 ZINC000376009109 238281846 /nfs/dbraw/zinc/28/18/46/238281846.db2.gz VPKHDRZYTLYHLN-HOTGVXAUSA-N 1 0 328.391 2.118 10 10 EECERO C[NH+](C)CCOc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000156579746 463043896 /nfs/dbraw/zinc/04/38/96/463043896.db2.gz WISBNPAZLAKGTJ-UHFFFAOYSA-N 1 0 344.411 2.011 10 10 EECERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000080526626 463327786 /nfs/dbraw/zinc/32/77/86/463327786.db2.gz NDUNKHWDFKIQAR-QGZVFWFLSA-N 1 0 341.459 2.080 10 10 EECERO COc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000179784174 464187997 /nfs/dbraw/zinc/18/79/97/464187997.db2.gz LGMVCPCEIKJTLU-KRWDZBQOSA-N 1 0 326.396 2.464 10 10 EECERO Nc1ccc(CC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000189028132 464417931 /nfs/dbraw/zinc/41/79/31/464417931.db2.gz BYHKBWZKSUTYNJ-YJBOKZPZSA-N 1 0 345.393 2.351 10 10 EECERO OC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1c1ccsc1 ZINC000250133154 464927063 /nfs/dbraw/zinc/92/70/63/464927063.db2.gz XMPSCKPOGXFEMI-KBPBESRZSA-N 1 0 333.409 2.390 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1OC ZINC000529636672 467889213 /nfs/dbraw/zinc/88/92/13/467889213.db2.gz GNHNYCYONRAENO-CQSZACIVSA-N 1 0 345.321 2.499 10 10 EECERO O=C(NCCNc1cc[nH+]cc1)NCc1ccc(N2CCCC2)cc1 ZINC000729594747 576667619 /nfs/dbraw/zinc/66/76/19/576667619.db2.gz VJIIVGPVMRYGMR-UHFFFAOYSA-N 1 0 339.443 2.015 10 10 EECERO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(C)(C)CO ZINC000926559680 679430267 /nfs/dbraw/zinc/43/02/67/679430267.db2.gz ONHYFWOJDMEHBD-GFCCVEGCSA-N 1 0 328.403 2.298 10 10 EECERO COCCC(=O)N1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909458 684785238 /nfs/dbraw/zinc/78/52/38/684785238.db2.gz RZYGBGHVDWUMME-UHFFFAOYSA-N 1 0 340.851 2.471 10 10 EECERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266361519 1176405336 /nfs/dbraw/zinc/40/53/36/1176405336.db2.gz NNPWZCSRLRXXDG-OAHLLOKOSA-N 1 0 347.419 2.080 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)ncn2)cc1C ZINC001266931645 1177832139 /nfs/dbraw/zinc/83/21/39/1177832139.db2.gz AWSWAVGWDNXXRT-AWEZNQCLSA-N 1 0 328.416 2.010 10 10 EECERO CC[C@H](CNC(=O)C1CCOCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267793391 1180543214 /nfs/dbraw/zinc/54/32/14/1180543214.db2.gz HPXAWKADNTWEKE-QGZVFWFLSA-N 1 0 334.460 2.415 10 10 EECERO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC000880583044 1201529481 /nfs/dbraw/zinc/52/94/81/1201529481.db2.gz DCQZYOBKDUZZHE-OAHLLOKOSA-N 1 0 337.391 2.097 10 10 EECERO CC(=O)c1cc(Cl)cc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c1O ZINC000880999360 1201619576 /nfs/dbraw/zinc/61/95/76/1201619576.db2.gz MFJQLAXQPJTJML-GFCCVEGCSA-N 1 0 348.834 2.430 10 10 EECERO C[C@@H]1[C@H](NC(=O)NCc2cccc(Br)c2O)CC[N@@H+]1C ZINC000925334816 1206099209 /nfs/dbraw/zinc/09/92/09/1206099209.db2.gz NWXNKIOXJPDWJB-BXKDBHETSA-N 1 0 342.237 2.047 10 10 EECERO CS[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1N(C)C ZINC000930128696 1206536253 /nfs/dbraw/zinc/53/62/53/1206536253.db2.gz NJSITFZKLZRBLR-QZTJIDSGSA-N 1 0 335.517 2.001 10 10 EECERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000159504620 1208468552 /nfs/dbraw/zinc/46/85/52/1208468552.db2.gz QRYRCBPVDIIZDX-NXEZZACHSA-N 1 0 327.222 2.241 10 10 EECERO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)c2ccccc2O1 ZINC000779672382 1210746017 /nfs/dbraw/zinc/74/60/17/1210746017.db2.gz AXJHGSOLRITHNT-XITLMJRVSA-N 1 0 339.395 2.156 10 10 EECERO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1C(F)(F)F ZINC000720921488 1218003059 /nfs/dbraw/zinc/00/30/59/1218003059.db2.gz WVJDJMRUPDULBP-NXEZZACHSA-N 1 0 339.155 2.476 10 10 EECERO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nncn1C ZINC000796454048 1218249602 /nfs/dbraw/zinc/24/96/02/1218249602.db2.gz NZUAVWFGKYMBJI-QGZVFWFLSA-N 1 0 329.448 2.139 10 10 EECERO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(OC)CCSC2)c1 ZINC000903315235 1240233519 /nfs/dbraw/zinc/23/35/19/1240233519.db2.gz VCDBKRSGGYOSKI-BDJLRTHQSA-N 1 0 325.430 2.352 10 10 EECERO CC[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CO1 ZINC000850013623 1276991877 /nfs/dbraw/zinc/99/18/77/1276991877.db2.gz KIIWNEFZIAZOSD-PKOBYXMFSA-N 1 0 347.503 2.364 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3[NH2+]CCCC3(C)C)C2)cc1 ZINC000851639154 1277696727 /nfs/dbraw/zinc/69/67/27/1277696727.db2.gz BVTBARFEEVHWJE-WMLDXEAASA-N 1 0 331.460 2.168 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000851663528 1277707392 /nfs/dbraw/zinc/70/73/92/1277707392.db2.gz BCIHHUKWSYBVFJ-RVKKMQEKSA-N 1 0 346.475 2.091 10 10 EECERO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843556 1292213587 /nfs/dbraw/zinc/21/35/87/1292213587.db2.gz AZSCJHGBRIUGLL-PBHICJAKSA-N 1 0 333.476 2.414 10 10 EECERO CN(c1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1)C1CCCCC1 ZINC000852863966 1292219663 /nfs/dbraw/zinc/21/96/63/1292219663.db2.gz UWYFRGSYRLFASN-KRWDZBQOSA-N 1 0 344.459 2.175 10 10 EECERO CCN(C(=O)NCCCSc1nccs1)[C@H]1CC[N@H+](C)C1 ZINC000853854589 1292489991 /nfs/dbraw/zinc/48/99/91/1292489991.db2.gz BXTRXQWRQWAYSS-LBPRGKRZSA-N 1 0 328.507 2.361 10 10 EECERO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000840978977 1315451103 /nfs/dbraw/zinc/45/11/03/1315451103.db2.gz YFKXQBPDHQECFM-LLVKDONJSA-N 1 0 345.848 2.392 10 10 EECERO COc1ccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000841434304 1315553761 /nfs/dbraw/zinc/55/37/61/1315553761.db2.gz YSULQZXVPABONI-UHFFFAOYSA-N 1 0 340.423 2.465 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N2CCNC[C@](C)(F)C2)cc1 ZINC000841717322 1315603275 /nfs/dbraw/zinc/60/32/75/1315603275.db2.gz JYFLPAOIWUMLPE-SFHVURJKSA-N 1 0 336.455 2.376 10 10 EECERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841975976 1315646410 /nfs/dbraw/zinc/64/64/10/1315646410.db2.gz JYQKDRJONHKUGV-RDTXWAMCSA-N 1 0 330.476 2.425 10 10 EECERO COc1ccc(N2CCC([NH2+]CC(C)(C)[C@@]3(O)CCOC3)CC2)cc1 ZINC000842758954 1315768742 /nfs/dbraw/zinc/76/87/42/1315768742.db2.gz OBLAATCYRBVLLI-HXUWFJFHSA-N 1 0 348.487 2.431 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C2(C)CCCC2)cc1C ZINC001283784974 1326253761 /nfs/dbraw/zinc/25/37/61/1326253761.db2.gz QUIJYOACTIDYLC-MRXNPFEDSA-N 1 0 334.460 2.151 10 10 EECERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CC(C)(C)O)C2)cc1C ZINC001284762413 1326701076 /nfs/dbraw/zinc/70/10/76/1326701076.db2.gz UGIQAOJNHMBWEA-UHFFFAOYSA-N 1 0 334.460 2.244 10 10 EECERO C[N@@H+]1C[C@H](C(=O)NCc2cccc(O)c2O)[C@@H](c2ccccc2)C1 ZINC001303194697 1331347949 /nfs/dbraw/zinc/34/79/49/1331347949.db2.gz JNUIZLIHYXHOLZ-CVEARBPZSA-N 1 0 326.396 2.059 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001317105263 1332081594 /nfs/dbraw/zinc/08/15/94/1332081594.db2.gz OOOHCZLGJPZSEK-GASCZTMLSA-N 1 0 332.444 2.356 10 10 EECERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CC(OC)C2)C2CC2)cc1C ZINC001566711264 1342610091 /nfs/dbraw/zinc/61/00/91/1342610091.db2.gz LAJDQAHFZRRDJK-ABHNRTSZSA-N 1 0 346.471 2.413 10 10 EECERO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN(C)CC(F)(F)F ZINC001653476289 1354124980 /nfs/dbraw/zinc/12/49/80/1354124980.db2.gz UILPHKKMUZUQRY-CQSZACIVSA-N 1 0 334.382 2.459 10 10 EECERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnn3c2CCC3)cc1C ZINC001663971756 1355064174 /nfs/dbraw/zinc/06/41/74/1355064174.db2.gz CYWOSZREXSIBEV-UHFFFAOYSA-N 1 0 342.443 2.008 10 10 EECERO Cc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000825130360 788449925 /nfs/dbraw/zinc/44/99/25/788449925.db2.gz WKYCVNFCQXANBB-BXUZGUMPSA-N 1 0 344.249 2.435 10 10 EECERO COc1cccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c1O ZINC000846158770 790066177 /nfs/dbraw/zinc/06/61/77/790066177.db2.gz KMWZQERRUGAPNK-LBPRGKRZSA-N 1 0 327.446 2.266 10 10 EECERO C[NH+]1CCN(c2ccc(CNc3cc(Cl)n[nH]c3=O)cc2)CC1 ZINC000788864784 807727365 /nfs/dbraw/zinc/72/73/65/807727365.db2.gz BABUDOGTOLATDX-UHFFFAOYSA-N 1 0 333.823 2.200 10 10 EECERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC001440713700 1093958905 /nfs/dbraw/zinc/95/89/05/1093958905.db2.gz RNNZMJUFXSWCSR-HXUWFJFHSA-N 1 0 345.487 2.092 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cnsn2)cc1C ZINC001495620573 1101346941 /nfs/dbraw/zinc/34/69/41/1101346941.db2.gz FLODUQWNKUNMNE-NSHDSACASA-N 1 0 334.445 2.011 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2cnc(C)o2)cc1C ZINC001496077710 1102018914 /nfs/dbraw/zinc/01/89/14/1102018914.db2.gz FYAAOQBEZIZNPY-CQSZACIVSA-N 1 0 345.443 2.479 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc(C)n[nH]1 ZINC001497359373 1102379918 /nfs/dbraw/zinc/37/99/18/1102379918.db2.gz QUNGGCWKTQVEPJ-UHFFFAOYSA-N 1 0 330.432 2.287 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2c(C)cnn2C)cc1C ZINC001568667778 1124681507 /nfs/dbraw/zinc/68/15/07/1124681507.db2.gz JNYXKEVTAIDAJV-HNNXBMFYSA-N 1 0 344.459 2.344 10 10 EECERO CN(C)c1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093146550 529780280 /nfs/dbraw/zinc/78/02/80/529780280.db2.gz LCKSIVRQJNYROZ-HXUWFJFHSA-N 1 0 330.520 2.355 10 10 EECERO CCOc1cccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)c1O ZINC000127957519 462597582 /nfs/dbraw/zinc/59/75/82/462597582.db2.gz PQOLBCUEGXPXKF-UHFFFAOYSA-N 1 0 346.431 2.190 10 10 EECERO CC[NH+]1CCC(CCNC(=O)NCc2cccc(OC)c2O)CC1 ZINC000074734358 462628152 /nfs/dbraw/zinc/62/81/52/462628152.db2.gz OEHQWQIHEJVUQF-UHFFFAOYSA-N 1 0 335.448 2.322 10 10 EECERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787088 463261467 /nfs/dbraw/zinc/26/14/67/463261467.db2.gz OADLEHKJNHLTOO-MRXNPFEDSA-N 1 0 348.491 2.053 10 10 EECERO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000180776818 464392644 /nfs/dbraw/zinc/39/26/44/464392644.db2.gz MFCKDIIUPUNYBG-GQCTYLIASA-N 1 0 330.428 2.445 10 10 EECERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295658033 464919725 /nfs/dbraw/zinc/91/97/25/464919725.db2.gz ADWFLKOVCCNABV-LJQANCHMSA-N 1 0 336.476 2.179 10 10 EECERO CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C[NH+](C)C)C2)c1O ZINC000177143067 464942501 /nfs/dbraw/zinc/94/25/01/464942501.db2.gz BCIOYXMQQDEQIN-CQSZACIVSA-N 1 0 326.824 2.011 10 10 EECERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000282940238 465009590 /nfs/dbraw/zinc/00/95/90/465009590.db2.gz IRTZINSRHJQJTF-INIZCTEOSA-N 1 0 326.396 2.162 10 10 EECERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000572964293 469031275 /nfs/dbraw/zinc/03/12/75/469031275.db2.gz FDYDSZXQCKGTSU-MRXNPFEDSA-N 1 0 343.402 2.360 10 10 EECERO COc1ccc(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)cc1F ZINC000292093386 534004870 /nfs/dbraw/zinc/00/48/70/534004870.db2.gz IUDMTUDYHPONCH-UHFFFAOYSA-N 1 0 349.450 2.215 10 10 EECERO O=C(CC[N@@H+]1CCc2ccccc2C1)NCCc1ccc(O)c(O)c1 ZINC000771634841 577222877 /nfs/dbraw/zinc/22/28/77/577222877.db2.gz YLMUIKJHRJJRIA-UHFFFAOYSA-N 1 0 340.423 2.205 10 10 EECERO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000777568029 577481840 /nfs/dbraw/zinc/48/18/40/577481840.db2.gz WGHBSFKTVGCQCX-ZDUSSCGKSA-N 1 0 342.361 2.381 10 10 EECERO CNC(=O)CCOC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000751955432 577763175 /nfs/dbraw/zinc/76/31/75/577763175.db2.gz RRCORZXBSUDWQD-UHFFFAOYSA-N 1 0 343.427 2.058 10 10 EECERO COC(=O)CC[N@H+](Cc1cc(C)cc(OC)c1O)C1CCOCC1 ZINC000754738340 577811814 /nfs/dbraw/zinc/81/18/14/577811814.db2.gz YJJIMIXYEWUIJI-UHFFFAOYSA-N 1 0 337.416 2.253 10 10 EECERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)c2c1c(F)ccc2O ZINC000756737715 577849661 /nfs/dbraw/zinc/84/96/61/577849661.db2.gz YJYIRSWBZOGXKY-BYCMXARLSA-N 1 0 348.418 2.449 10 10 EECERO CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1C ZINC000895763561 684715213 /nfs/dbraw/zinc/71/52/13/684715213.db2.gz CZBSCUXFGUOYJC-QGZVFWFLSA-N 1 0 332.444 2.169 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000898581223 693383286 /nfs/dbraw/zinc/38/32/86/693383286.db2.gz VHPMYWARXKTNQU-PBHICJAKSA-N 1 0 331.460 2.263 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2cc(C)on2)cc1C ZINC001482088137 1183320554 /nfs/dbraw/zinc/32/05/54/1183320554.db2.gz DBWAQNQNJHMVNC-CYBMUJFWSA-N 1 0 345.443 2.385 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cn(C)nc3C)CC2)cc1C ZINC001269388620 1184227871 /nfs/dbraw/zinc/22/78/71/1184227871.db2.gz SFMXDNDGIVLLTM-UHFFFAOYSA-N 1 0 342.443 2.098 10 10 EECERO O=C(NCc1cccc(Br)c1O)C12CCC[NH+]1CCC2 ZINC000290513113 1185690369 /nfs/dbraw/zinc/69/03/69/1185690369.db2.gz UCNXZYLEFJFCNW-UHFFFAOYSA-N 1 0 339.233 2.399 10 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[NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000827567619 1248463250 /nfs/dbraw/zinc/46/32/50/1248463250.db2.gz SMRPKQHCUYQCKD-MOPGFXCFSA-N 1 0 345.487 2.437 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCc2cncnc2)cc1C ZINC001491528762 1259179339 /nfs/dbraw/zinc/17/93/39/1259179339.db2.gz OBZYRXIVZIENQE-OAHLLOKOSA-N 1 0 342.443 2.021 10 10 EECERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850330894 1277176151 /nfs/dbraw/zinc/17/61/51/1277176151.db2.gz TVNQNWBJQRCXIG-LTCOOKNTSA-N 1 0 332.444 2.309 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)cc1 ZINC000850347315 1277191165 /nfs/dbraw/zinc/19/11/65/1277191165.db2.gz QCIBAYZLZOTRBK-CQSZACIVSA-N 1 0 329.448 2.410 10 10 EECERO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)CS1(=O)=O ZINC000850369299 1277202620 /nfs/dbraw/zinc/20/26/20/1277202620.db2.gz UPHDUTYEAWYODM-SKDRFNHKSA-N 1 0 348.262 2.210 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850519095 1277257839 /nfs/dbraw/zinc/25/78/39/1277257839.db2.gz KWETULBJFJEBLY-SECBINFHSA-N 1 0 341.351 2.029 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C[NH3+])C3CCCC3)C2)cc1 ZINC000851664024 1277708151 /nfs/dbraw/zinc/70/81/51/1277708151.db2.gz PEJQNCCHRWMJRQ-MAUKXSAKSA-N 1 0 346.475 2.091 10 10 EECERO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000852589684 1292141592 /nfs/dbraw/zinc/14/15/92/1292141592.db2.gz ZCFUSHXRXLVNFR-CVEARBPZSA-N 1 0 333.476 2.210 10 10 EECERO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cn1 ZINC000853121445 1292290469 /nfs/dbraw/zinc/29/04/69/1292290469.db2.gz DEDQVXAVRIVORQ-IBGZPJMESA-N 1 0 345.418 2.005 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000854302378 1292712135 /nfs/dbraw/zinc/71/21/35/1292712135.db2.gz JTQAQHFXEFHCTK-MRXNPFEDSA-N 1 0 346.475 2.010 10 10 EECERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c(O)cccc1Br ZINC000862396682 1295827348 /nfs/dbraw/zinc/82/73/48/1295827348.db2.gz WDBZUSPDYHQTMZ-NWDGAFQWSA-N 1 0 343.265 2.042 10 10 EECERO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863295807 1296205969 /nfs/dbraw/zinc/20/59/69/1296205969.db2.gz FBLCIVNFBRJLSB-GOSISDBHSA-N 1 0 337.416 2.159 10 10 EECERO CCn1nc(C)c([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000926854981 1296942074 /nfs/dbraw/zinc/94/20/74/1296942074.db2.gz QNNKEHUWGJPRGV-OAHLLOKOSA-N 1 0 342.491 2.209 10 10 EECERO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000799314186 1305222421 /nfs/dbraw/zinc/22/24/21/1305222421.db2.gz JIPRGKLZTYXOJD-LIRRHRJNSA-N 1 0 345.418 2.442 10 10 EECERO O=C(NCCCSc1nccs1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841855627 1315624247 /nfs/dbraw/zinc/62/42/47/1315624247.db2.gz CKUAXTDVUISRAZ-OAHLLOKOSA-N 1 0 340.518 2.410 10 10 EECERO COc1c([O-])c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043959 1315827219 /nfs/dbraw/zinc/82/72/19/1315827219.db2.gz DUIBYEOZHBQNBB-JSGCOSHPSA-N 1 0 335.404 2.273 10 10 EECERO COc1cc(O)c(CN2CCc3ccccc3[C@H]2C[NH3+])cc1OC ZINC000843128663 1315850114 /nfs/dbraw/zinc/85/01/14/1315850114.db2.gz KQKGYEVZQHNGLQ-MRXNPFEDSA-N 1 0 328.412 2.468 10 10 EECERO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2CC[N@@H+]2C)CCCC1 ZINC001289119496 1327997083 /nfs/dbraw/zinc/99/70/83/1327997083.db2.gz IXZQTIVXYYOWLL-AWEZNQCLSA-N 1 0 341.455 2.349 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@H]3C)CCOCC2)cc1C ZINC001324983809 1333802613 /nfs/dbraw/zinc/80/26/13/1333802613.db2.gz RCGIRAIYTCCJKT-PBHICJAKSA-N 1 0 346.471 2.415 10 10 EECERO COC(=O)c1c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c2cc(F)ccc2n1C ZINC001331550908 1335035552 /nfs/dbraw/zinc/03/55/52/1335035552.db2.gz WHPJVHTUXREFIE-IBGZPJMESA-N 1 0 346.402 2.451 10 10 EECERO CO[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CCS(=O)(=O)C1 ZINC001333162789 1335973660 /nfs/dbraw/zinc/97/36/60/1335973660.db2.gz HELYMCXWUVEDNQ-IGCXYCKISA-N 1 0 339.457 2.042 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)CC[N@@H+]3CC[C@@H](F)C3)C2)cc1 ZINC001643346673 1352746903 /nfs/dbraw/zinc/74/69/03/1352746903.db2.gz OPAZLBKHXHCEKZ-HZPDHXFCSA-N 1 0 349.450 2.072 10 10 EECERO CCn1cc(CC(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001662384409 1354789882 /nfs/dbraw/zinc/78/98/82/1354789882.db2.gz XLVLOUSGXXJLMG-OAHLLOKOSA-N 1 0 344.459 2.057 10 10 EECERO CC[C@H](OC)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001675722221 1357042771 /nfs/dbraw/zinc/04/27/71/1357042771.db2.gz LIQBYMMHLRYZNY-ULQDDVLXSA-N 1 0 334.460 2.413 10 10 EECERO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000818972385 785367345 /nfs/dbraw/zinc/36/73/45/785367345.db2.gz GASCPBZYCFXRSL-FQEVSTJZSA-N 1 0 344.430 2.356 10 10 EECERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136692504 787653590 /nfs/dbraw/zinc/65/35/90/787653590.db2.gz AJNHXSPYFNBJFR-OAHLLOKOSA-N 1 0 347.419 2.032 10 10 EECERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000825130284 788449888 /nfs/dbraw/zinc/44/98/88/788449888.db2.gz RQPYLIXGRRBZJZ-GWCFXTLKSA-N 1 0 330.222 2.126 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(OC)nc2C)cc1 ZINC000844401367 789070367 /nfs/dbraw/zinc/07/03/67/789070367.db2.gz KCVNZKGKIAGGCQ-UHFFFAOYSA-N 1 0 330.432 2.370 10 10 EECERO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000846187955 790083128 /nfs/dbraw/zinc/08/31/28/790083128.db2.gz DCVKKJXZUUEGII-ATZCPNFKSA-N 1 0 327.222 2.378 10 10 EECERO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Br)ccc1O ZINC000714342820 794922977 /nfs/dbraw/zinc/92/29/77/794922977.db2.gz RZRNAIJVFPIVCP-GFCCVEGCSA-N 1 0 348.262 2.212 10 10 EECERO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Br)CN1CC1CC1 ZINC000716766918 796454382 /nfs/dbraw/zinc/45/43/82/796454382.db2.gz WTVSGVCKGSJILZ-NSHDSACASA-N 1 0 339.233 2.255 10 10 EECERO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1O ZINC001175419933 798101397 /nfs/dbraw/zinc/10/13/97/798101397.db2.gz ZOKADKFXBDVMNE-GFCCVEGCSA-N 1 0 327.384 2.171 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccn(C)n2)cc1C ZINC001480808088 1107153821 /nfs/dbraw/zinc/15/38/21/1107153821.db2.gz APOHSZMQOCDNBA-AWEZNQCLSA-N 1 0 330.432 2.035 10 10 EECERO c1cc(N2CCCCC2)ccc1C[NH2+]CCN1CCC2(C1)OCCO2 ZINC001474276343 1110592107 /nfs/dbraw/zinc/59/21/07/1110592107.db2.gz RYBYHCYPOVYLRK-UHFFFAOYSA-N 1 0 345.487 2.215 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001507207241 1115151795 /nfs/dbraw/zinc/15/17/95/1115151795.db2.gz SZPWIZLKFWGFAO-RHSMWYFYSA-N 1 0 334.460 2.007 10 10 EECERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000191673271 533081974 /nfs/dbraw/zinc/08/19/74/533081974.db2.gz MSYSOVBWBLWDBP-QRQLOZEOSA-N 1 0 344.455 2.297 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000527956279 317293404 /nfs/dbraw/zinc/29/34/04/317293404.db2.gz ONRHSPMUJIOPHE-FZZIBODNSA-N 1 0 330.222 2.345 10 10 EECERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1O ZINC000271661277 464355879 /nfs/dbraw/zinc/35/58/79/464355879.db2.gz DJZUTLHFMPUADW-HZPDHXFCSA-N 1 0 328.416 2.362 10 10 EECERO C[C@@H](C[NH+]1CCOCC1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000273051192 464700844 /nfs/dbraw/zinc/70/08/44/464700844.db2.gz HTKQCKKFSBWIKM-INIZCTEOSA-N 1 0 345.487 2.212 10 10 EECERO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/C3CC3)CC2)cc1 ZINC000266253303 464770573 /nfs/dbraw/zinc/77/05/73/464770573.db2.gz KZWWHFVMKKVWLZ-BJMVGYQFSA-N 1 0 343.471 2.290 10 10 EECERO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000177057007 464919497 /nfs/dbraw/zinc/91/94/97/464919497.db2.gz PZOQSSPRSCGHFS-LPHOPBHVSA-N 1 0 346.519 2.126 10 10 EECERO OC[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCc2ccccc21 ZINC000305121834 466350128 /nfs/dbraw/zinc/35/01/28/466350128.db2.gz BNGZJAJRSNOOQV-OAQYLSRUSA-N 1 0 338.451 2.447 10 10 EECERO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291646216 534142383 /nfs/dbraw/zinc/14/23/83/534142383.db2.gz JGLAWMIHUFJNJF-KZULUSFZSA-N 1 0 338.423 2.358 10 10 EECERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000262223431 683702544 /nfs/dbraw/zinc/70/25/44/683702544.db2.gz JRAUYFDHTYGUFZ-LPHOPBHVSA-N 1 0 341.455 2.021 10 10 EECERO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1O ZINC000895417498 684593793 /nfs/dbraw/zinc/59/37/93/684593793.db2.gz BPUVCVSTSXZKHU-SJLPKXTDSA-N 1 0 329.396 2.333 10 10 EECERO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814816 684734450 /nfs/dbraw/zinc/73/44/50/684734450.db2.gz UZTVCCIOKIIJKK-SJORKVTESA-N 1 0 333.501 2.372 10 10 EECERO CN(CC[NH2+]Cc1cncs1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001481321667 1181030824 /nfs/dbraw/zinc/03/08/24/1181030824.db2.gz AZFJRYTUWXLOAO-UHFFFAOYSA-N 1 0 346.416 2.167 10 10 EECERO CCn1ccc(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)n1 ZINC001269501886 1184324880 /nfs/dbraw/zinc/32/48/80/1184324880.db2.gz HGZJIDCNUALNRX-UHFFFAOYSA-N 1 0 342.443 2.272 10 10 EECERO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[NH2+]1 ZINC000841989668 1188215089 /nfs/dbraw/zinc/21/50/89/1188215089.db2.gz WAHAHMUZWWKXLE-SKDRFNHKSA-N 1 0 342.237 2.094 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnn(C)c3C)CC2)cc1C ZINC001483716457 1190807466 /nfs/dbraw/zinc/80/74/66/1190807466.db2.gz WKUVPFUIXIDTIA-UHFFFAOYSA-N 1 0 342.443 2.098 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@]2(C)CC=CCC2)cc1C ZINC001272425270 1190813492 /nfs/dbraw/zinc/81/34/92/1190813492.db2.gz KMHRUCISMZIMCR-PXNSSMCTSA-N 1 0 346.471 2.317 10 10 EECERO COC[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001484626687 1191447429 /nfs/dbraw/zinc/44/74/29/1191447429.db2.gz PVLHKKVJZIYGBC-HNNXBMFYSA-N 1 0 334.460 2.415 10 10 EECERO COc1nc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001485178360 1191678377 /nfs/dbraw/zinc/67/83/77/1191678377.db2.gz UQJBKGONKREFJP-QWHCGFSZSA-N 1 0 347.415 2.297 10 10 EECERO CC(=O)c1cc(Cl)cc(CN2CCC[C@@](O)(C[NH+](C)C)C2)c1O ZINC000878868149 1200720414 /nfs/dbraw/zinc/72/04/14/1200720414.db2.gz NBUWEGDHXSVGLN-QGZVFWFLSA-N 1 0 340.851 2.137 10 10 EECERO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c1O ZINC000866520235 1201539158 /nfs/dbraw/zinc/53/91/58/1201539158.db2.gz DUDGULUSABZPJQ-MEDUHNTESA-N 1 0 340.807 2.226 10 10 EECERO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1O ZINC000868275588 1201781194 /nfs/dbraw/zinc/78/11/94/1201781194.db2.gz SJLREGDNMPNQRO-LSDHHAIUSA-N 1 0 347.459 2.253 10 10 EECERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@@H](C)CO2)cc1C ZINC001276144028 1205796515 /nfs/dbraw/zinc/79/65/15/1205796515.db2.gz HPVIVIKRGNZWQA-KDOFPFPSSA-N 1 0 334.460 2.367 10 10 EECERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900896130 1234970870 /nfs/dbraw/zinc/97/08/70/1234970870.db2.gz UXJXIZMPGUHLBA-YOEHRIQHSA-N 1 0 329.444 2.495 10 10 EECERO COc1cc(O)c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1OC ZINC000827243489 1238659967 /nfs/dbraw/zinc/65/99/67/1238659967.db2.gz KMTQPXIAFYRUHD-CABCVRRESA-N 1 0 329.343 2.313 10 10 EECERO CO[C@@H](C[NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000826822458 1248084197 /nfs/dbraw/zinc/08/41/97/1248084197.db2.gz UGLXLOBWPMCWOA-RISCZKNCSA-N 1 0 330.222 2.296 10 10 EECERO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1O ZINC000850506002 1277253387 /nfs/dbraw/zinc/25/33/87/1277253387.db2.gz APDKQLXVKWXWGH-WBMJQRKESA-N 1 0 329.824 2.173 10 10 EECERO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc2ccccc2c1O ZINC000850508469 1277254239 /nfs/dbraw/zinc/25/42/39/1277254239.db2.gz NQKWZYMIJDHFLP-AUUYWEPGSA-N 1 0 331.412 2.364 10 10 EECERO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc2ccccc2c1O ZINC000850508472 1277254407 /nfs/dbraw/zinc/25/44/07/1277254407.db2.gz NQKWZYMIJDHFLP-IFXJQAMLSA-N 1 0 331.412 2.364 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1C[C@H](C)CO1 ZINC001273522862 1279140697 /nfs/dbraw/zinc/14/06/97/1279140697.db2.gz ZCJBKHIBVHBJPN-KBXCAEBGSA-N 1 0 334.460 2.367 10 10 EECERO COc1ccc2c(c1)CCCN2C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000852805859 1292204310 /nfs/dbraw/zinc/20/43/10/1292204310.db2.gz NWNSNUQZJHCMMG-CYBMUJFWSA-N 1 0 326.400 2.088 10 10 EECERO COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000852844135 1292213222 /nfs/dbraw/zinc/21/32/22/1292213222.db2.gz QVIFQEQPIRXKGZ-BBWFWOEESA-N 1 0 345.487 2.416 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@@H](C)[C@H]3CCCCO3)CC2)cc1 ZINC000858358337 1294095146 /nfs/dbraw/zinc/09/51/46/1294095146.db2.gz CYGOTICZLXGIMU-FXAWDEMLSA-N 1 0 347.503 2.364 10 10 EECERO C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[NH2+]1 ZINC000861559622 1295456380 /nfs/dbraw/zinc/45/63/80/1295456380.db2.gz UCSMEMBHEQGMSO-GOEBONIOSA-N 1 0 348.516 2.180 10 10 EECERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000861572137 1295460733 /nfs/dbraw/zinc/46/07/33/1295460733.db2.gz MFZACYYGVQGPOZ-ZWKOTPCHSA-N 1 0 346.475 2.104 10 10 EECERO CCN(CC)c1ccc(CN(C)C(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000861670073 1295495527 /nfs/dbraw/zinc/49/55/27/1295495527.db2.gz IUFLSSWEVGDECT-UHFFFAOYSA-N 1 0 348.491 2.182 10 10 EECERO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)ccc1O ZINC000927136309 1297032977 /nfs/dbraw/zinc/03/29/77/1297032977.db2.gz QHQVJIBZKFVVNH-XPTSAGLGSA-N 1 0 340.221 2.272 10 10 EECERO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(Cl)c1 ZINC000840948174 1315443359 /nfs/dbraw/zinc/44/33/59/1315443359.db2.gz ALMPYLBFPZRRNE-ZDUSSCGKSA-N 1 0 336.823 2.275 10 10 EECERO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001158716919 1319396973 /nfs/dbraw/zinc/39/69/73/1319396973.db2.gz IPVFHWVAPABUMS-BVPBIZIASA-N 1 0 333.476 2.143 10 10 EECERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001261501967 1322116413 /nfs/dbraw/zinc/11/64/13/1322116413.db2.gz UNGHQWUYUXYFEZ-OALUTQOASA-N 1 0 345.487 2.029 10 10 EECERO CCc1n[nH]cc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265794530 1323385270 /nfs/dbraw/zinc/38/52/70/1323385270.db2.gz QEPKMEFAIQCEAX-ZDUSSCGKSA-N 1 0 330.432 2.197 10 10 EECERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2n[nH]cc2F)C2CC2)cc1C ZINC001276657284 1324985487 /nfs/dbraw/zinc/98/54/87/1324985487.db2.gz XLAREMJOMQIVLY-HNNXBMFYSA-N 1 0 346.406 2.164 10 10 EECERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)CC2CC(C)(C)C2)cc1C ZINC001283797474 1326261777 /nfs/dbraw/zinc/26/17/77/1326261777.db2.gz OXYBNOLMUJKJMX-KRWDZBQOSA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2CC(OC)C2)cc1C ZINC001319201192 1332664366 /nfs/dbraw/zinc/66/43/66/1332664366.db2.gz GKQAQRJWGOTKTM-NVPAJSRCSA-N 1 0 334.460 2.271 10 10 EECERO COCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001331944858 1335684697 /nfs/dbraw/zinc/68/46/97/1335684697.db2.gz VVIDAOVCCWPUFV-SWLSCSKDSA-N 1 0 347.419 2.078 10 10 EECERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCF)C2)cc1 ZINC001332342825 1335806949 /nfs/dbraw/zinc/80/69/49/1335806949.db2.gz WMNWXEALTVCVDO-SMDDNHRTSA-N 1 0 335.383 2.307 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCC2(C)C)cc1C ZINC001332559531 1335849478 /nfs/dbraw/zinc/84/94/78/1335849478.db2.gz DEMSASVTDQCHNZ-IRXDYDNUSA-N 1 0 348.487 2.349 10 10 EECERO COC(=O)c1c(C[NH2+]C2CCC(O)CC2)c2cc(F)ccc2n1C ZINC001350315052 1337694448 /nfs/dbraw/zinc/69/44/48/1337694448.db2.gz AMCLHFVHEQEITO-UHFFFAOYSA-N 1 0 334.391 2.497 10 10 EECERO C[C@@H](CN1CCOCC1)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001652842083 1354105854 /nfs/dbraw/zinc/10/58/54/1354105854.db2.gz IIYHWYMTEXRYAE-HKUYNNGSSA-N 1 0 348.487 2.342 10 10 EECERO COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)cc1 ZINC000846672926 790365773 /nfs/dbraw/zinc/36/57/73/790365773.db2.gz NDNLOXGRFDARNC-OALUTQOASA-N 1 0 343.471 2.265 10 10 EECERO COc1ccc(N2CCC([NH2+]CCOC3CCOCC3)CC2)cc1 ZINC000922935129 788372718 /nfs/dbraw/zinc/37/27/18/788372718.db2.gz RHTDFGOAVRJSJM-UHFFFAOYSA-N 1 0 334.460 2.449 10 10 EECERO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccnn2C)c(C(F)(F)F)c1 ZINC000922975057 788457606 /nfs/dbraw/zinc/45/76/06/788457606.db2.gz VAWMOQULETVFRU-HNNXBMFYSA-N 1 0 342.365 2.328 10 10 EECERO CC[C@H](CNC(=O)c1ccnc(C)n1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495107271 1100757742 /nfs/dbraw/zinc/75/77/42/1100757742.db2.gz HDHFVMNSMZRMHF-MRXNPFEDSA-N 1 0 342.443 2.400 10 10 EECERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001497482749 1102559301 /nfs/dbraw/zinc/55/93/01/1102559301.db2.gz QIGFRXZVUCHZTG-YLJYHZDGSA-N 1 0 346.471 2.368 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cnsn2)cc1C ZINC001505565000 1114052902 /nfs/dbraw/zinc/05/29/02/1114052902.db2.gz GUCFWOLMANUBRS-NEPJUHHUSA-N 1 0 334.445 2.152 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2c[nH]nc2C)C2CC2)cc1C ZINC001569312951 1125223783 /nfs/dbraw/zinc/22/37/83/1125223783.db2.gz MSOONFYNHKWCDS-QGZVFWFLSA-N 1 0 342.443 2.333 10 10 EECERO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000040154941 213274397 /nfs/dbraw/zinc/27/43/97/213274397.db2.gz YMEMXAXWGRMIPM-UHFFFAOYSA-N 1 0 346.452 2.162 10 10 EECERO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)CN1 ZINC000092105134 462927248 /nfs/dbraw/zinc/92/72/48/462927248.db2.gz VEMDECZGHLNZOQ-IEBWSBKVSA-N 1 0 343.471 2.014 10 10 EECERO CCC[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161694412 463449872 /nfs/dbraw/zinc/44/98/72/463449872.db2.gz RZHAVWKSLUZIPI-SFHVURJKSA-N 1 0 333.476 2.464 10 10 EECERO COCCN1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000163364758 463583261 /nfs/dbraw/zinc/58/32/61/463583261.db2.gz OYHRWNAEKLBPQL-IBGZPJMESA-N 1 0 347.503 2.364 10 10 EECERO COc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC000373492000 466821852 /nfs/dbraw/zinc/82/18/52/466821852.db2.gz AEZMMPWBKLPKDF-UHFFFAOYSA-N 1 0 333.432 2.217 10 10 EECERO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291646218 534233905 /nfs/dbraw/zinc/23/39/05/534233905.db2.gz JGLAWMIHUFJNJF-SGTLLEGYSA-N 1 0 338.423 2.358 10 10 EECERO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765955465 577510028 /nfs/dbraw/zinc/51/00/28/577510028.db2.gz VVGCRTGRRDPMSA-MCMMXHMISA-N 1 0 328.453 2.082 10 10 EECERO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000756098108 577838396 /nfs/dbraw/zinc/83/83/96/577838396.db2.gz FHRKEVKKWUXWPM-ZXFNITATSA-N 1 0 335.467 2.479 10 10 EECERO COC(=O)/C=C/c1ccc(N2CC(n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000079102829 675415674 /nfs/dbraw/zinc/41/56/74/675415674.db2.gz WBKKAFSYZZJEKH-HWKANZROSA-N 1 0 328.328 2.039 10 10 EECERO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724570464 678499018 /nfs/dbraw/zinc/49/90/18/678499018.db2.gz TVMCEYYRZYSFCX-OSMZGAPFSA-N 1 0 328.206 2.048 10 10 EECERO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000310051540 679813264 /nfs/dbraw/zinc/81/32/64/679813264.db2.gz ABYZGXFVOKBWBF-PLNGDYQASA-N 1 0 336.388 2.291 10 10 EECERO Cc1cc(O)c(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840889383 682706302 /nfs/dbraw/zinc/70/63/02/682706302.db2.gz FZLPJJXXLKXDPB-ZDUSSCGKSA-N 1 0 339.867 2.031 10 10 EECERO COC(=O)c1c(C[N@@H+]2CCC[C@H](O)CC2)c2cc(F)ccc2n1C ZINC000894866702 683240193 /nfs/dbraw/zinc/24/01/93/683240193.db2.gz YLYCSGQWMVTBMF-ZDUSSCGKSA-N 1 0 334.391 2.451 10 10 EECERO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1O ZINC000895332533 684502509 /nfs/dbraw/zinc/50/25/09/684502509.db2.gz LNUNQZAZXWCJMP-QZTJIDSGSA-N 1 0 346.471 2.442 10 10 EECERO COCCC[N@H+](C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896669888 685161334 /nfs/dbraw/zinc/16/13/34/685161334.db2.gz ILOYYEZQZUIOEV-UHFFFAOYSA-N 1 0 338.429 2.011 10 10 EECERO C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266734989 1177324423 /nfs/dbraw/zinc/32/44/23/1177324423.db2.gz DYEZNZZLTKUFDK-HONMWMINSA-N 1 0 335.383 2.448 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccnnc2C)cc1C ZINC001268562543 1183261811 /nfs/dbraw/zinc/26/18/11/1183261811.db2.gz ISNCGZAZRZLVPB-SNAWJCMRSA-N 1 0 340.427 2.178 10 10 EECERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCC23CC3)cc1C ZINC001482742864 1187700720 /nfs/dbraw/zinc/70/07/20/1187700720.db2.gz URMSTJLMGMQKNX-IRXDYDNUSA-N 1 0 346.471 2.151 10 10 EECERO COc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)c(C)c2)on1 ZINC001483001780 1187982914 /nfs/dbraw/zinc/98/29/14/1187982914.db2.gz XKQVSENKAAFDFV-SNAWJCMRSA-N 1 0 345.399 2.076 10 10 EECERO C[C@H](CCC[NH3+])NC(=O)NCc1cc(Br)ccc1O ZINC000841999197 1188217775 /nfs/dbraw/zinc/21/77/75/1188217775.db2.gz CWKKXSKRCMKEIK-SECBINFHSA-N 1 0 330.226 2.081 10 10 EECERO FC(F)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000872254469 1198113532 /nfs/dbraw/zinc/11/35/32/1198113532.db2.gz FDRXYRQKKWUZLX-MRXNPFEDSA-N 1 0 326.387 2.379 10 10 EECERO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000868315789 1201790057 /nfs/dbraw/zinc/79/00/57/1201790057.db2.gz CRXRDNCAEMEGFV-UHFFFAOYSA-N 1 0 346.475 2.034 10 10 EECERO COc1ccc(N2CCCN(C(=O)c3c[nH+]ccc3N)CC2)cc1 ZINC000188113973 1208620388 /nfs/dbraw/zinc/62/03/88/1208620388.db2.gz JNWXBGZYOHYQIZ-UHFFFAOYSA-N 1 0 326.400 2.025 10 10 EECERO C/C=C\[C@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127972 1235257231 /nfs/dbraw/zinc/25/72/31/1235257231.db2.gz RENCQRQQXJSRQQ-QJKPGOQRSA-N 1 0 338.835 2.063 10 10 EECERO CO[C@]1(C[NH2+][C@H](C)c2ccc3ccccc3c2O)CCS(=O)(=O)C1 ZINC000903365398 1240319136 /nfs/dbraw/zinc/31/91/36/1240319136.db2.gz NABPOGHQIQKMPX-ACJLOTCBSA-N 1 0 349.452 2.400 10 10 EECERO CCc1nc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001491437517 1259080795 /nfs/dbraw/zinc/08/07/95/1259080795.db2.gz KSHAGJXYWYMVCC-ZDUSSCGKSA-N 1 0 331.416 2.462 10 10 EECERO COc1ccc(N2CCC([NH2+]C[C@H](OC)[C@H]3CCOC3)CC2)cc1 ZINC000850343043 1277184461 /nfs/dbraw/zinc/18/44/61/1277184461.db2.gz PUFKKEBSOAZKDX-KXBFYZLASA-N 1 0 334.460 2.305 10 10 EECERO COc1cccc([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1O ZINC000850562872 1277266260 /nfs/dbraw/zinc/26/62/60/1277266260.db2.gz PTAARFCCXDHXML-KBPBESRZSA-N 1 0 333.432 2.342 10 10 EECERO CCN(CC)c1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1F ZINC000851656198 1277703549 /nfs/dbraw/zinc/70/35/49/1277703549.db2.gz FWAZJSDXUANFSM-UHFFFAOYSA-N 1 0 334.439 2.305 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)C[C@@H]2CCOC2)C2CC2)cc1C ZINC001490648856 1291569233 /nfs/dbraw/zinc/56/92/33/1291569233.db2.gz NIDDQXIWKQHOLZ-FUHWJXTLSA-N 1 0 346.471 2.415 10 10 EECERO COc1cc(Br)cc(CNCC23CC(C2)C[NH2+]3)c1O ZINC000853245937 1292339934 /nfs/dbraw/zinc/33/99/34/1292339934.db2.gz DIUOMEORKFZYTN-UHFFFAOYSA-N 1 0 327.222 2.005 10 10 EECERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853780630 1292450898 /nfs/dbraw/zinc/45/08/98/1292450898.db2.gz CCBYGXMXEWBJIT-WBVHZDCISA-N 1 0 346.475 2.057 10 10 EECERO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854300470 1292711485 /nfs/dbraw/zinc/71/14/85/1292711485.db2.gz UEUIYVZQUBVTLE-INIZCTEOSA-N 1 0 346.475 2.011 10 10 EECERO CO[C@H](C[NH2+]Cc1c(O)cccc1Br)[C@@H]1CCOC1 ZINC000858186735 1294037498 /nfs/dbraw/zinc/03/74/98/1294037498.db2.gz CIPOJLIBGWNDDF-QMTHXVAHSA-N 1 0 330.222 2.296 10 10 EECERO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)ccc1O ZINC000858434766 1294116713 /nfs/dbraw/zinc/11/67/13/1294116713.db2.gz OSNSJGSBCLOKGF-SKDRFNHKSA-N 1 0 340.221 2.272 10 10 EECERO Oc1ccccc1C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000859190071 1294343781 /nfs/dbraw/zinc/34/37/81/1294343781.db2.gz FDQZXEZBFSWHPG-IAGOWNOFSA-N 1 0 335.444 2.039 10 10 EECERO CCON(CC)C(=O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000862453418 1295851880 /nfs/dbraw/zinc/85/18/80/1295851880.db2.gz VHSLPWTYFOABOH-UHFFFAOYSA-N 1 0 345.237 2.353 10 10 EECERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000862552300 1295879707 /nfs/dbraw/zinc/87/97/07/1295879707.db2.gz VRGMGJIQJDVLCY-GFCCVEGCSA-N 1 0 346.880 2.115 10 10 EECERO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000799314184 1305222852 /nfs/dbraw/zinc/22/28/52/1305222852.db2.gz JIPRGKLZTYXOJD-IFXJQAMLSA-N 1 0 345.418 2.442 10 10 EECERO COc1cc(Br)cc(CN[C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059276 1315465337 /nfs/dbraw/zinc/46/53/37/1315465337.db2.gz OZEYZLJSSGAVAF-SKDRFNHKSA-N 1 0 329.238 2.251 10 10 EECERO COc1cc(Br)cc(CN[C@@H]2CCCC[NH2+]C2)c1O ZINC000841090338 1315473240 /nfs/dbraw/zinc/47/32/40/1315473240.db2.gz OEFIBDWAMBWVGM-GFCCVEGCSA-N 1 0 329.238 2.395 10 10 EECERO CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842003661 1315650558 /nfs/dbraw/zinc/65/05/58/1315650558.db2.gz JFRVEZXODZGJAV-AWEZNQCLSA-N 1 0 327.375 2.311 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ccoc2C)cc1C ZINC001278730641 1317900111 /nfs/dbraw/zinc/90/01/11/1317900111.db2.gz FUYWADBHGQAHQO-MRXNPFEDSA-N 1 0 346.427 2.128 10 10 EECERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)Cc3ccon3)C2)cc1C ZINC001316631144 1326389086 /nfs/dbraw/zinc/38/90/86/1326389086.db2.gz HMWXJOMSDBLRDI-JCNLHEQBSA-N 1 0 343.427 2.219 10 10 EECERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3C)CCOCC2)cc1C ZINC001324983811 1333802510 /nfs/dbraw/zinc/80/25/10/1333802510.db2.gz RCGIRAIYTCCJKT-RHSMWYFYSA-N 1 0 346.471 2.415 10 10 EECERO CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CCCOC3)cc2F)CC1 ZINC001351341227 1337810131 /nfs/dbraw/zinc/81/01/31/1337810131.db2.gz LAYFERWIIIUBCY-INIZCTEOSA-N 1 0 335.467 2.484 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(F)cc3)C2)cc1 ZINC000849321551 1339152825 /nfs/dbraw/zinc/15/28/25/1339152825.db2.gz HVFXBVNVWBYCOF-QAPCUYQASA-N 1 0 343.402 2.229 10 10 EECERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ncccn2)C2CC2)cc1C ZINC001566725390 1342614645 /nfs/dbraw/zinc/61/46/45/1342614645.db2.gz CUNJVODHXNVEGO-MRXNPFEDSA-N 1 0 340.427 2.092 10 10 EECERO COc1ccc(N(C)CC[N@H+](C)C[C@H](C)CN2CCOCC2)cc1 ZINC001659281536 1354378607 /nfs/dbraw/zinc/37/86/07/1354378607.db2.gz ZWOVZVXXAKIIMZ-KRWDZBQOSA-N 1 0 335.492 2.032 10 10 EECERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cnc(C)cn2)cc1C ZINC001662155491 1354755352 /nfs/dbraw/zinc/75/53/52/1354755352.db2.gz BDXPHZIHYXVROC-AWEZNQCLSA-N 1 0 328.416 2.010 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cnc(C)n2C)cc1C ZINC001666605800 1355552178 /nfs/dbraw/zinc/55/21/78/1355552178.db2.gz OPKGOEUDDKLOTM-ZDUSSCGKSA-N 1 0 344.459 2.201 10 10 EECERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)c3cc[nH]n3)C2)cc1C ZINC001671708852 1356400057 /nfs/dbraw/zinc/40/00/57/1356400057.db2.gz FZAKJEJQZGTIRJ-LJQANCHMSA-N 1 0 342.443 2.369 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2csnn2)cc1C ZINC001674711009 1356882027 /nfs/dbraw/zinc/88/20/27/1356882027.db2.gz VJYAJAWJDUKHIQ-VXGBXAGGSA-N 1 0 334.445 2.152 10 10 EECERO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)C2)cc1 ZINC000846681650 790392913 /nfs/dbraw/zinc/39/29/13/790392913.db2.gz ASCFTDXSMVCFFU-MDASCCDHSA-N 1 0 343.471 2.168 10 10 EECERO CCCCN(Cc1ccccc1O)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908045415 785046022 /nfs/dbraw/zinc/04/60/22/785046022.db2.gz NWZAPCXXIPNCPN-IBGZPJMESA-N 1 0 334.460 2.368 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1 ZINC000824207914 788084792 /nfs/dbraw/zinc/08/47/92/788084792.db2.gz IMAKCTYPCSUDQT-HZPDHXFCSA-N 1 0 328.416 2.117 10 10 EECERO O[C@H]([C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000825124202 788447437 /nfs/dbraw/zinc/44/74/37/788447437.db2.gz JZWQHUWYDCJDJE-GDBMZVCRSA-N 1 0 344.377 2.268 10 10 EECERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000825130287 788450391 /nfs/dbraw/zinc/45/03/91/788450391.db2.gz RQPYLIXGRRBZJZ-ZWNOBZJWSA-N 1 0 330.222 2.126 10 10 EECERO Cc1cc(O)c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c(Cl)c1 ZINC000922621562 801520938 /nfs/dbraw/zinc/52/09/38/801520938.db2.gz OQSMSWNQHCTYJA-UHFFFAOYSA-N 1 0 341.835 2.492 10 10 EECERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000792935020 810077622 /nfs/dbraw/zinc/07/76/22/810077622.db2.gz CSBRVXRQWJMSIZ-YLJYHZDGSA-N 1 0 347.503 2.364 10 10 EECERO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(O)c2O)CC1 ZINC001464802866 1110403823 /nfs/dbraw/zinc/40/38/23/1110403823.db2.gz CLRGMPBTLUNXHZ-UHFFFAOYSA-N 1 0 330.388 2.203 10 10 EECERO c1csc(SCCC[NH2+]Cc2cn(Cc3cccnc3)nn2)n1 ZINC001474018667 1110588334 /nfs/dbraw/zinc/58/83/34/1110588334.db2.gz YIVCTICTFWDNPS-UHFFFAOYSA-N 1 0 346.485 2.450 10 10 EECERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2sccc2C)cc1C ZINC001507170848 1115145322 /nfs/dbraw/zinc/14/53/22/1115145322.db2.gz QXXTZFUCKDSMEC-OAHLLOKOSA-N 1 0 348.468 2.254 10 10 EECERO C[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccc(N2CCOCC2)cc1 ZINC001519157094 1119074290 /nfs/dbraw/zinc/07/42/90/1119074290.db2.gz WREQJJLIZZBILG-INIZCTEOSA-N 1 0 343.471 2.329 10 10 EECERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cn(C)nc2C)cc1C ZINC001568829666 1124846976 /nfs/dbraw/zinc/84/69/76/1124846976.db2.gz YSJQPZYXTLMKPO-AATRIKPKSA-N 1 0 342.443 2.121 10 10 EECERO CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376020323 529396935 /nfs/dbraw/zinc/39/69/35/529396935.db2.gz FRJNLGYTKJICOB-UXHICEINSA-N 1 0 346.471 2.293 10 10 EECERO Cc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000184947978 463723654 /nfs/dbraw/zinc/72/36/54/463723654.db2.gz SQGTVKJUWRBAIB-UHFFFAOYSA-N 1 0 331.391 2.361 10 10 EECERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000185502224 463834628 /nfs/dbraw/zinc/83/46/28/463834628.db2.gz VTHIKDLDKHFVAI-KOLCDFICSA-N 1 0 327.222 2.426 10 10 EECERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000368458371 466642216 /nfs/dbraw/zinc/64/22/16/466642216.db2.gz NTCIBUKYMWHYNM-LBPRGKRZSA-N 1 0 344.390 2.486 10 10 EECERO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000375792964 466875842 /nfs/dbraw/zinc/87/58/42/466875842.db2.gz RMFXJZCHCFHWGR-SLFFLAALSA-N 1 0 329.488 2.486 10 10 EECERO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)COc2ccccc2O1 ZINC000527734516 467664523 /nfs/dbraw/zinc/66/45/23/467664523.db2.gz KBPTWZVYLIOSRI-GOSISDBHSA-N 1 0 329.352 2.441 10 10 EECERO COC(=O)/C=C\c1ccc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190547 577212232 /nfs/dbraw/zinc/21/22/32/577212232.db2.gz GVFCMZSFZNVYKM-UFRMUOTOSA-N 1 0 345.399 2.454 10 10 EECERO CCOC(=O)CCC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768463839 577556464 /nfs/dbraw/zinc/55/64/64/577556464.db2.gz XWKJOXGFZQMVER-QGZVFWFLSA-N 1 0 349.427 2.373 10 10 EECERO CC[N@@H+]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000754079338 577799859 /nfs/dbraw/zinc/79/98/59/577799859.db2.gz GBASOEQLWCWBNM-STMXVASLSA-N 1 0 333.388 2.311 10 10 EECERO CCN(CC)c1ccc(CN(C)C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000746104565 577922275 /nfs/dbraw/zinc/92/22/75/577922275.db2.gz AZFNHHZZLSMCCE-UHFFFAOYSA-N 1 0 346.519 2.129 10 10 EECERO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000327749476 682253150 /nfs/dbraw/zinc/25/31/50/682253150.db2.gz KTNWANDLVJNNIR-QGZVFWFLSA-N 1 0 349.450 2.057 10 10 EECERO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895527159 684632507 /nfs/dbraw/zinc/63/25/07/684632507.db2.gz WHFKKSLMUYUKLL-UHFFFAOYSA-N 1 0 345.487 2.212 10 10 EECERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266361518 1176405365 /nfs/dbraw/zinc/40/53/65/1176405365.db2.gz NNPWZCSRLRXXDG-HNNXBMFYSA-N 1 0 347.419 2.080 10 10 EECERO CCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691133717 1177622823 /nfs/dbraw/zinc/62/28/23/1177622823.db2.gz RWLTWDCRFKPTLA-XIRDDKMYSA-N 1 0 334.460 2.413 10 10 EECERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)c2cn[nH]c2)C2CC2)cc1C ZINC001267850136 1180630393 /nfs/dbraw/zinc/63/03/93/1180630393.db2.gz WLGSGPKJPMUABX-IBGZPJMESA-N 1 0 342.443 2.415 10 10 EECERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2CCC(O)CC2)cc1C ZINC001270393810 1185071937 /nfs/dbraw/zinc/07/19/37/1185071937.db2.gz NBNCWZOLJUFRBS-RWBZWWBESA-N 1 0 348.487 2.397 10 10 EECERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2cn[nH]c2)cc1C ZINC001485200682 1191683607 /nfs/dbraw/zinc/68/36/07/1191683607.db2.gz SHTTWLBDMHTZFL-CABCVRRESA-N 1 0 344.459 2.342 10 10 EECERO c1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC000873098724 1198500160 /nfs/dbraw/zinc/50/01/60/1198500160.db2.gz NYUXUUAQXHETDK-UHFFFAOYSA-N 1 0 326.444 2.496 10 10 EECERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O ZINC000866492098 1201530082 /nfs/dbraw/zinc/53/00/82/1201530082.db2.gz DITXOLRVKIIOHJ-BJJXKVORSA-N 1 0 336.432 2.413 10 10 EECERO Cc1ccc(O)c(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000093667319 1214919462 /nfs/dbraw/zinc/91/94/62/1214919462.db2.gz DDPJRGLFAYCXJO-QGZVFWFLSA-N 1 0 332.444 2.304 10 10 EECERO COc1ccc(C[NH2+]Cc2cn(C)nc2Br)c(O)c1 ZINC000720679989 1217292079 /nfs/dbraw/zinc/29/20/79/1217292079.db2.gz BJXNMJXZCDGKOZ-UHFFFAOYSA-N 1 0 326.194 2.187 10 10 EECERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)nnn4C)C2)cc1 ZINC000850347537 1277190243 /nfs/dbraw/zinc/19/02/43/1277190243.db2.gz STHOPOKVXHNUFA-OAHLLOKOSA-N 1 0 337.427 2.345 10 10 EECERO COc1ccc(O)c([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)c1 ZINC000850495807 1277248297 /nfs/dbraw/zinc/24/82/97/1277248297.db2.gz IZDVWUPFIZEJNI-BTKVJGODSA-N 1 0 325.352 2.362 10 10 EECERO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000850509571 1277254345 /nfs/dbraw/zinc/25/43/45/1277254345.db2.gz RUEVUTPYKUKKQE-LIRRHRJNSA-N 1 0 335.444 2.090 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CCCC[NH3+])C2)cc1 ZINC000851667348 1277709608 /nfs/dbraw/zinc/70/96/08/1277709608.db2.gz NVCVAERIUZEQGT-LSDHHAIUSA-N 1 0 334.464 2.091 10 10 EECERO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851937663 1291924191 /nfs/dbraw/zinc/92/41/91/1291924191.db2.gz AMXPZHKXPLFRIA-INIZCTEOSA-N 1 0 348.491 2.305 10 10 EECERO COc1ccc(N2CC[C@@H](NC(=O)C3([NH2+]C4CC4)CCC3)C2)cc1 ZINC000852900786 1292227536 /nfs/dbraw/zinc/22/75/36/1292227536.db2.gz RSSCXKIOLPJJON-OAHLLOKOSA-N 1 0 329.444 2.065 10 10 EECERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228974 1293120984 /nfs/dbraw/zinc/12/09/84/1293120984.db2.gz GTOLMMVBGJHUJL-MAUKXSAKSA-N 1 0 331.460 2.265 10 10 EECERO CC(C)(C[NH2+]Cc1c(O)cccc1Br)[C@@]1(O)CCOC1 ZINC000858182468 1294036442 /nfs/dbraw/zinc/03/64/42/1294036442.db2.gz UNVMDJYCFZDCPR-OAHLLOKOSA-N 1 0 344.249 2.422 10 10 EECERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858494571 1294133640 /nfs/dbraw/zinc/13/36/40/1294133640.db2.gz KXQMXNQHMINELD-NRPADANISA-N 1 0 343.221 2.078 10 10 EECERO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)c1O ZINC000858523391 1294143017 /nfs/dbraw/zinc/14/30/17/1294143017.db2.gz QWGHVNOZUDMBMO-DGCLKSJQSA-N 1 0 343.265 2.444 10 10 EECERO COc1ccc(N2CCC[N@H+](CCOC3CCOCC3)CC2)cc1 ZINC000859086650 1294313836 /nfs/dbraw/zinc/31/38/36/1294313836.db2.gz MUPSKSPRZANDGN-UHFFFAOYSA-N 1 0 334.460 2.403 10 10 EECERO O=C(NCCCSc1nccs1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861610126 1295476227 /nfs/dbraw/zinc/47/62/27/1295476227.db2.gz VXHLEMAHAKZGIA-LLVKDONJSA-N 1 0 326.491 2.209 10 10 EECERO COC(=O)[C@]12C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]1COCC2 ZINC001116878806 1305926507 /nfs/dbraw/zinc/92/65/07/1305926507.db2.gz DXWJIJQIIFRTNM-FXAWDEMLSA-N 1 0 344.455 2.298 10 10 EECERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H](O)C(C)C)C2)cc1C ZINC001278491272 1310675333 /nfs/dbraw/zinc/67/53/33/1310675333.db2.gz NSCWBLIIQMPVTD-UYAOXDASSA-N 1 0 348.487 2.349 10 10 EECERO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)C2CCOCC2)c(Cl)c1 ZINC000840950689 1315444061 /nfs/dbraw/zinc/44/40/61/1315444061.db2.gz MFTKWUNVNMYNAJ-UHFFFAOYSA-N 1 0 347.864 2.037 10 10 EECERO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000841981251 1315647207 /nfs/dbraw/zinc/64/72/07/1315647207.db2.gz XAOLZRNBLYFBSL-VXGBXAGGSA-N 1 0 342.237 2.224 10 10 EECERO CNc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC001304767385 1331394960 /nfs/dbraw/zinc/39/49/60/1331394960.db2.gz FQWAZPZYVXTRFX-GOSISDBHSA-N 1 0 341.459 2.222 10 10 EECERO CCc1ncncc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317286980 1332165341 /nfs/dbraw/zinc/16/53/41/1332165341.db2.gz VMXFOJXHGPEZOG-CQSZACIVSA-N 1 0 342.443 2.264 10 10 EECERO COCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001320114373 1332831104 /nfs/dbraw/zinc/83/11/04/1332831104.db2.gz KSABTVPGMBQGJG-IRXDYDNUSA-N 1 0 334.460 2.415 10 10 EECERO Cc1cc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]n1 ZINC001558723021 1342486946 /nfs/dbraw/zinc/48/69/46/1342486946.db2.gz FNTDMNBSMVQWPC-GOSISDBHSA-N 1 0 343.475 2.136 10 10 EECERO Cc1cc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)ccc1N1CCCCC1 ZINC001560231605 1342509092 /nfs/dbraw/zinc/50/90/92/1342509092.db2.gz WTSWPHDUVYSBFB-RBUKOAKNSA-N 1 0 332.488 2.408 10 10 EECERO COC[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001571655063 1343263752 /nfs/dbraw/zinc/26/37/52/1343263752.db2.gz XJEGDUCGNKZMGN-OOHWJJMZSA-N 1 0 334.460 2.365 10 10 EECERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](OC)C2CC2)cc1C ZINC001676341423 1357137235 /nfs/dbraw/zinc/13/72/35/1357137235.db2.gz GNYHGNBSMJCYPG-RDTXWAMCSA-N 1 0 334.460 2.365 10 10 EECERO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccnc(F)c2)[NH+](C)C)cc1 ZINC001653421875 1354123004 /nfs/dbraw/zinc/12/30/04/1354123004.db2.gz UTYBLHGRPXTILK-QGZVFWFLSA-N 1 0 344.434 2.248 10 10 EECERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cn2nccc2C)cc1C ZINC001668229790 1355904580 /nfs/dbraw/zinc/90/45/80/1355904580.db2.gz UFCDMXXMDHLECA-HNNXBMFYSA-N 1 0 344.459 2.193 10 10 EECERO CCn1nccc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669276097 1356138512 /nfs/dbraw/zinc/13/85/12/1356138512.db2.gz KJHODJFNCDDFRI-CQSZACIVSA-N 1 0 330.432 2.128 10 10 EECERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2cccnc2)cc1C ZINC001699402664 1405348234 /nfs/dbraw/zinc/34/82/34/1405348234.db2.gz VZLAFAXDUKMVFV-HNNXBMFYSA-N 1 0 327.428 2.236 10 10 EECERO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000846696845 790430415 /nfs/dbraw/zinc/43/04/15/790430415.db2.gz IJKIBZIZVBDNJF-MSOLQXFVSA-N 1 0 331.460 2.120 10 10 EECERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cc(Br)ccc1O ZINC000706698950 785602038 /nfs/dbraw/zinc/60/20/38/785602038.db2.gz AETXPYAMHOYOGY-SGMGOOAPSA-N 1 0 330.222 2.345 10 10 EECERO COC(=O)/C=C\c1ccc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000820595474 786002676 /nfs/dbraw/zinc/00/26/76/786002676.db2.gz MEIZEANHOQWTPK-QDCWTVBJSA-N 1 0 333.388 2.310 10 10 EECERO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(N2CCOCC2)cc1 ZINC000844311693 788978690 /nfs/dbraw/zinc/97/86/90/788978690.db2.gz CUZQUFSJAGXBAN-KBXCAEBGSA-N 1 0 345.443 2.157 10 10 EECERO COCCOCC[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000808237973 812550692 /nfs/dbraw/zinc/55/06/92/812550692.db2.gz MWYCGHVLBLWQCT-UHFFFAOYSA-N 1 0 347.411 2.427 10 10 EECERO