smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000067770833 202932360 /nfs/dbraw/zinc/93/23/60/202932360.db2.gz OQPOMCLIWJQRKE-GJZGRUSLSA-N 2 0 336.480 0.849 50 0 ECAARP C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071877131 203134048 /nfs/dbraw/zinc/13/40/48/203134048.db2.gz YHRAHFTZQUDUKJ-VQIMIIECSA-N 2 0 333.476 0.404 50 0 ECAARP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)[C@@H](C)CN1C(=O)C[NH+](C)C1CC1 ZINC000072294430 436041749 /nfs/dbraw/zinc/04/17/49/436041749.db2.gz LSVRGRMGDVGTPW-OKILXGFUSA-N 2 0 336.480 0.623 50 0 ECAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(CO)o3)C[C@@H]2CO)CC1 ZINC000095379488 436491248 /nfs/dbraw/zinc/49/12/48/436491248.db2.gz VVDKLMXAMFJITH-HZPDHXFCSA-N 2 0 337.464 0.450 50 0 ECAARP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccn1CCN1CCOCC1 ZINC000864058818 590053289 /nfs/dbraw/zinc/05/32/89/590053289.db2.gz VVVQJOTYDQDIGH-HOTGVXAUSA-N 2 0 334.464 0.985 50 0 ECAARP Cc1cc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n(C)n1 ZINC000069778634 203050677 /nfs/dbraw/zinc/05/06/77/203050677.db2.gz GJQCGKPQAZZTFR-CQSZACIVSA-N 2 0 337.468 0.692 50 0 ECAARP Cn1c(CCNC(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)nc2ccccc21 ZINC000072145716 203168932 /nfs/dbraw/zinc/16/89/32/203168932.db2.gz JBKFBJJWVJCRPE-HNNXBMFYSA-N 2 0 341.459 0.964 50 0 ECAARP CC(C)Cc1noc(CN(C)C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)n1 ZINC000072156412 203174961 /nfs/dbraw/zinc/17/49/61/203174961.db2.gz QGCZWWIMPRWPGT-ZDUSSCGKSA-N 2 0 335.452 0.958 50 0 ECAARP O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072158025 203176137 /nfs/dbraw/zinc/17/61/37/203176137.db2.gz VLNDEBJVXAFRAI-AWEZNQCLSA-N 2 0 341.419 0.010 50 0 ECAARP COCC[N@@H+]1CC[C@@H](CN(C)c2nc(N)nc3c2CC[NH2+]CC3)C1 ZINC000072421649 203220623 /nfs/dbraw/zinc/22/06/23/203220623.db2.gz ZYASCWGGZTXQTP-ZDUSSCGKSA-N 2 0 334.468 0.152 50 0 ECAARP CN1C[C@@H]([NH3+])C[C@H]1C(=O)N1CCC(c2nccn2CC[NH+](C)C)CC1 ZINC000091434613 218004692 /nfs/dbraw/zinc/00/46/92/218004692.db2.gz JHVCQPKDDZMVKO-HOTGVXAUSA-N 2 0 348.495 0.182 50 0 ECAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nnnn2-c2ccccc2)CC1 ZINC000071870978 436022404 /nfs/dbraw/zinc/02/24/04/436022404.db2.gz WFQDFKCWSQUHIG-AWEZNQCLSA-N 2 0 330.436 0.845 50 0 ECAARP Cc1ncc2c(c1CNC(=O)CN1CC[C@H]([NH+](C)C)C1)CC[NH2+]C2 ZINC000072479352 436044629 /nfs/dbraw/zinc/04/46/29/436044629.db2.gz LFQTVZLZODUWIJ-HNNXBMFYSA-N 2 0 331.464 0.288 50 0 ECAARP C[NH+](C)C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C[C@@H]1CO ZINC000091604247 436454777 /nfs/dbraw/zinc/45/47/77/436454777.db2.gz FEMGOOUKIMSBFR-IAGOWNOFSA-N 2 0 346.475 0.788 50 0 ECAARP OCC[N@H+]1CCc2nnc([C@@H]3CC[NH+](Cc4cccnc4)C3)n2CC1 ZINC000257188940 436856647 /nfs/dbraw/zinc/85/66/47/436856647.db2.gz NFQIBTBSUMEVIT-MRXNPFEDSA-N 2 0 342.447 0.513 50 0 ECAARP CC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000252474313 436832295 /nfs/dbraw/zinc/83/22/95/436832295.db2.gz AUDGEQSLMUPVLK-ICUGJSFKSA-N 2 0 343.512 0.234 50 0 ECAARP COc1cccc(C(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1OCCC[NH3+] ZINC000426527692 438066489 /nfs/dbraw/zinc/06/64/89/438066489.db2.gz GGKHOZQCCFNEJM-OLZOCXBDSA-N 2 0 337.420 0.218 50 0 ECAARP O[C@]1(C[NH+]2CCOCC2)C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019773667 202019171 /nfs/dbraw/zinc/01/91/71/202019171.db2.gz FYLCLHXIPKWGMC-SOAGJPPSSA-N 2 0 343.471 0.249 50 0 ECAARP [NH3+]Cc1cn(C2CC[NH+](CCn3c4ccccc4oc3=O)CC2)nn1 ZINC000023231695 202100059 /nfs/dbraw/zinc/10/00/59/202100059.db2.gz ROEMCHLSQYDOLN-UHFFFAOYSA-N 2 0 342.403 0.982 50 0 ECAARP O=C(C[NH2+]CCn1cccn1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071879164 203133794 /nfs/dbraw/zinc/13/37/94/203133794.db2.gz AGAUTBVJZQOUIO-KRWDZBQOSA-N 2 0 327.432 0.863 50 0 ECAARP CC(C)Cc1noc(CN(C)C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)n1 ZINC000072156415 203173968 /nfs/dbraw/zinc/17/39/68/203173968.db2.gz QGCZWWIMPRWPGT-CYBMUJFWSA-N 2 0 335.452 0.958 50 0 ECAARP C[NH+]1CCN(CC[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000102405496 204038289 /nfs/dbraw/zinc/03/82/89/204038289.db2.gz ARONPUAQQAPVMB-OAHLLOKOSA-N 2 0 334.395 0.295 50 0 ECAARP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000101384192 204006650 /nfs/dbraw/zinc/00/66/50/204006650.db2.gz SXMHHHIMAGUAEI-IRXDYDNUSA-N 2 0 336.480 0.999 50 0 ECAARP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC2)[C@H](C)CN1C(=O)C[NH+](C)C1CC1 ZINC000072294429 436042107 /nfs/dbraw/zinc/04/21/07/436042107.db2.gz LSVRGRMGDVGTPW-ZIAGYGMSSA-N 2 0 336.480 0.623 50 0 ECAARP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000074171072 202373358 /nfs/dbraw/zinc/37/33/58/202373358.db2.gz OTXJEPWTUGLFNW-JKSUJKDBSA-N 2 0 325.501 0.606 50 0 ECAARP COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072127123 203165281 /nfs/dbraw/zinc/16/52/81/203165281.db2.gz AMERCTCEOHKBQR-HNNXBMFYSA-N 2 0 335.452 0.127 50 0 ECAARP CC[NH+]1CCC([NH2+]CC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000077420271 203386870 /nfs/dbraw/zinc/38/68/70/203386870.db2.gz NAGYSMPVWXGBGU-QGZVFWFLSA-N 2 0 349.479 0.450 50 0 ECAARP CN(C)C(=O)NCc1cc2n(n1)CCC[N@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2 ZINC000102741997 204049195 /nfs/dbraw/zinc/04/91/95/204049195.db2.gz GHNRVQSVFDTDRY-ZSHCYNCHSA-N 2 0 332.452 0.325 50 0 ECAARP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[NH2+]CCO1 ZINC000188247717 279867856 /nfs/dbraw/zinc/86/78/56/279867856.db2.gz SGPLKVKODDNFHZ-QGZVFWFLSA-N 2 0 333.432 0.248 50 0 ECAARP C[NH+]1CCC(C)(C[N@@H+]2CCO[C@H](CCNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067641221 436719433 /nfs/dbraw/zinc/71/94/33/436719433.db2.gz MLFJHZCCKPSAOJ-MRXNPFEDSA-N 3 0 338.496 0.145 50 0 ECAARP Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237481384 436736853 /nfs/dbraw/zinc/73/68/53/436736853.db2.gz FKFQBKIFTUWHBI-DGCLKSJQSA-N 2 0 332.452 0.866 50 0 ECAARP CCn1c(CN2CC[NH+](CCCOC)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252539147 436838004 /nfs/dbraw/zinc/83/80/04/436838004.db2.gz NUCILXFFTFIUAX-SHTZXODSSA-N 2 0 336.484 0.657 50 0 ECAARP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)[C@@H](O)C2)cc1 ZINC000534639529 439532429 /nfs/dbraw/zinc/53/24/29/439532429.db2.gz MLMHVXBFARSNPP-IRXDYDNUSA-N 2 0 334.464 0.955 50 0 ECAARP O[C@@]1(C[NH+]2CCOCC2)C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019773665 202018944 /nfs/dbraw/zinc/01/89/44/202018944.db2.gz FYLCLHXIPKWGMC-MHJFOBGBSA-N 2 0 343.471 0.249 50 0 ECAARP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000020912395 202058250 /nfs/dbraw/zinc/05/82/50/202058250.db2.gz NGFHEFMKUPCFOZ-INIZCTEOSA-N 2 0 338.496 0.731 50 0 ECAARP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071877130 203134703 /nfs/dbraw/zinc/13/47/03/203134703.db2.gz YHRAHFTZQUDUKJ-QFBILLFUSA-N 2 0 333.476 0.404 50 0 ECAARP C[N@@H+]1CCC[C@H](CN2CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)C1 ZINC000072146761 203170738 /nfs/dbraw/zinc/17/07/38/203170738.db2.gz NKCCEMDDSSWCNZ-KRWDZBQOSA-N 2 0 346.523 0.836 50 0 ECAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCC(F)(F)F)CC1 ZINC000069778618 290084269 /nfs/dbraw/zinc/08/42/69/290084269.db2.gz XDMVFZDNFVTAAB-NSHDSACASA-N 2 0 325.375 0.690 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)C1 ZINC000065533511 290311118 /nfs/dbraw/zinc/31/11/18/290311118.db2.gz FGTVWNJHTILLEM-OPTDUQHJSA-N 2 0 333.476 0.441 50 0 ECAARP C[C@H]1CN(C(=O)C[N@H+](C)C2CC2)[C@@H](C)CN1C(=O)C[NH+](C)C1CC1 ZINC000072294431 436043635 /nfs/dbraw/zinc/04/36/35/436043635.db2.gz LSVRGRMGDVGTPW-KBPBESRZSA-N 2 0 336.480 0.623 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000096138921 436515097 /nfs/dbraw/zinc/51/50/97/436515097.db2.gz QVFXWSGDVJNJLZ-RDTXWAMCSA-N 2 0 346.431 0.105 50 0 ECAARP Cc1cc2c(cc1C[N@@H+]1CCN(C3CC[NH2+]CC3)C[C@H](O)C1)OCO2 ZINC000097679986 436543370 /nfs/dbraw/zinc/54/33/70/436543370.db2.gz NESCAIMGIDMNTP-QGZVFWFLSA-N 2 0 347.459 0.954 50 0 ECAARP C[NH+]1CCC(C)(C[N@@H+]2CCO[C@@H](CCNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067641222 436718910 /nfs/dbraw/zinc/71/89/10/436718910.db2.gz MLFJHZCCKPSAOJ-INIZCTEOSA-N 3 0 338.496 0.145 50 0 ECAARP Cc1ncc2c(c1CNC(=O)CN1CC[C@@H]([NH+](C)C)C1)CC[NH2+]C2 ZINC000072479353 302705695 /nfs/dbraw/zinc/70/56/95/302705695.db2.gz LFQTVZLZODUWIJ-OAHLLOKOSA-N 2 0 331.464 0.288 50 0 ECAARP C[C@@H]1C[N@@H+](C2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)CCO1 ZINC000299739119 437107722 /nfs/dbraw/zinc/10/77/22/437107722.db2.gz KTSKCZVTDMQWFZ-GDBMZVCRSA-N 2 0 325.453 0.467 50 0 ECAARP COCC[N@@H+]1CC[C@H](CN(C)C(=O)CN2CCC[NH+](C)CC2)C1 ZINC000584894916 439626307 /nfs/dbraw/zinc/62/63/07/439626307.db2.gz COSDTHAJGDRLDV-MRXNPFEDSA-N 2 0 326.485 0.051 50 0 ECAARP C[N@@H+]1CCOC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000584896495 439626363 /nfs/dbraw/zinc/62/63/63/439626363.db2.gz BDPKNGRCZBQQGX-OAHLLOKOSA-N 2 0 333.436 0.491 50 0 ECAARP [NH3+][C@H](Cc1cc[nH]n1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000888097036 586349948 /nfs/dbraw/zinc/34/99/48/586349948.db2.gz ZFXZXSQDGGNAOL-MRXNPFEDSA-N 2 0 349.479 0.678 50 0 ECAARP O=C(NCCNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000072163424 203177680 /nfs/dbraw/zinc/17/76/80/203177680.db2.gz OJQIMMXMERQZJK-HNNXBMFYSA-N 2 0 348.422 0.403 50 0 ECAARP [NH3+]CCc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H](O)C2)cc1 ZINC000097259280 203937390 /nfs/dbraw/zinc/93/73/90/203937390.db2.gz ZNKGSYQQQDAGFF-LJQANCHMSA-N 2 0 333.476 0.845 50 0 ECAARP CC[C@@H]1CN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C[C@@H](C)O ZINC000071876922 436022649 /nfs/dbraw/zinc/02/26/49/436022649.db2.gz AUDGEQSLMUPVLK-SFFUCWETSA-N 2 0 343.512 0.234 50 0 ECAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2CO)CC1 ZINC000095372744 436492425 /nfs/dbraw/zinc/49/24/25/436492425.db2.gz JCCZRUMJXDVHSF-IAGOWNOFSA-N 2 0 347.459 0.703 50 0 ECAARP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+](C)C1CC1 ZINC000195571529 436693918 /nfs/dbraw/zinc/69/39/18/436693918.db2.gz HKZUSBNVGQLJOA-KBPBESRZSA-N 2 0 326.485 0.956 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000069658765 203034205 /nfs/dbraw/zinc/03/42/05/203034205.db2.gz XWCQHFWNFJLUBN-KGLIPLIRSA-N 2 0 335.452 0.828 50 0 ECAARP OC[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)C1 ZINC000072476971 203232147 /nfs/dbraw/zinc/23/21/47/203232147.db2.gz IOBMDXSCGNWKOS-OAHLLOKOSA-N 2 0 345.491 0.838 50 0 ECAARP COCc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cn1 ZINC000072409088 203215656 /nfs/dbraw/zinc/21/56/56/203215656.db2.gz ILXFYPYALNJZHV-JKSUJKDBSA-N 2 0 347.463 0.785 50 0 ECAARP [NH3+]CCOc1cccc(CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c1 ZINC000426515757 254787364 /nfs/dbraw/zinc/78/73/64/254787364.db2.gz RNNUXPPVBSCQSV-IRXDYDNUSA-N 2 0 333.432 0.546 50 0 ECAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000091548044 436453294 /nfs/dbraw/zinc/45/32/94/436453294.db2.gz XERRTJUEOGKHQR-HNNXBMFYSA-N 2 0 335.452 0.139 50 0 ECAARP CC[C@H]1CN([C@H](C)C(=O)N2CCN(CC)CC2)CC[N@@H+]1CCOC ZINC000106777082 436601217 /nfs/dbraw/zinc/60/12/17/436601217.db2.gz NMUBHQOIXXRIQQ-SJORKVTESA-N 2 0 340.512 0.582 50 0 ECAARP C[NH+]1CCN(c2cc(CNC(=O)N3CCC[N@H+](C)CC3)ccn2)CC1 ZINC000065444327 436660627 /nfs/dbraw/zinc/66/06/27/436660627.db2.gz XNHPWRVLHVFDHA-UHFFFAOYSA-N 2 0 346.479 0.681 50 0 ECAARP CN1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC12CC[NH+](C)CC2 ZINC000067587044 436716728 /nfs/dbraw/zinc/71/67/28/436716728.db2.gz BSCPBKZWVCSDNW-QGZVFWFLSA-N 2 0 330.476 0.795 50 0 ECAARP CC[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000084736460 545712774 /nfs/dbraw/zinc/71/27/74/545712774.db2.gz QIWGSAFCLKQBPN-KZNAEPCWSA-N 2 0 327.513 0.856 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069510325 203012120 /nfs/dbraw/zinc/01/21/20/203012120.db2.gz LKLIVEOJSYFYCB-GHMZBOCLSA-N 2 0 325.375 0.736 50 0 ECAARP OCC[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@@H+]1CC1CC1 ZINC000072407222 203215401 /nfs/dbraw/zinc/21/54/01/203215401.db2.gz SWDQQWJJOSGNEX-OAHLLOKOSA-N 2 0 331.464 0.448 50 0 ECAARP COc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)ccc1OCC[NH3+] ZINC000426537367 254788481 /nfs/dbraw/zinc/78/84/81/254788481.db2.gz AOWHPNIQIWLRES-GJZGRUSLSA-N 2 0 349.431 0.314 50 0 ECAARP O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069662274 435957393 /nfs/dbraw/zinc/95/73/93/435957393.db2.gz COACQWWJGJQCHU-HNNXBMFYSA-N 2 0 346.479 0.733 50 0 ECAARP C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(C[NH3+])cc3)CC[C@H]21 ZINC000072429321 436044406 /nfs/dbraw/zinc/04/44/06/436044406.db2.gz AKUCPNKMUOIUKV-DLBZAZTESA-N 2 0 344.459 0.818 50 0 ECAARP Cc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](CCCC[NH3+])C(=O)N3C2)cc1 ZINC000014746625 436076674 /nfs/dbraw/zinc/07/66/74/436076674.db2.gz OXGXHXBQBLHQKO-ULQDDVLXSA-N 2 0 344.459 0.682 50 0 ECAARP O=C(NCC1(c2cccc(F)c2)CCOCC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065373441 436656272 /nfs/dbraw/zinc/65/62/72/436656272.db2.gz PYGLFWGPRNAEHM-UHFFFAOYSA-N 2 0 347.434 0.799 50 0 ECAARP C[NH+](C)CCNC(=O)c1cc2n(n1)CCC[N@@H+](C1CCOCC1)C2 ZINC000065396014 436657657 /nfs/dbraw/zinc/65/76/57/436657657.db2.gz RQMDIUHUGMBYFF-UHFFFAOYSA-N 2 0 335.452 0.559 50 0 ECAARP CCS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065534018 436667400 /nfs/dbraw/zinc/66/74/00/436667400.db2.gz ONGFSYXTOHMNAD-CZUORRHYSA-N 2 0 343.493 0.001 50 0 ECAARP CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000067696983 436720046 /nfs/dbraw/zinc/72/00/46/436720046.db2.gz GOYOVFQNGJGXGF-HIFRSBDPSA-N 2 0 348.447 0.942 50 0 ECAARP COCC[NH+]1CCC(C[NH+]2CCN(c3ncc(C)c(N)n3)CC2)CC1 ZINC000067821858 436725223 /nfs/dbraw/zinc/72/52/23/436725223.db2.gz CSMGQGSFCAXAOL-UHFFFAOYSA-N 2 0 348.495 0.848 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000239762037 436757465 /nfs/dbraw/zinc/75/74/65/436757465.db2.gz CKOXUYOBWGODAG-ABSDTBQOSA-N 2 0 347.503 0.793 50 0 ECAARP C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000333797309 437286894 /nfs/dbraw/zinc/28/68/94/437286894.db2.gz ZAUNQMZNBHPCTB-GASCZTMLSA-N 2 0 338.496 0.957 50 0 ECAARP COc1ccc(C(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c(OCC[NH3+])c1 ZINC000426673997 438069981 /nfs/dbraw/zinc/06/99/81/438069981.db2.gz GSGLIBVDSQRXCR-PHZGNYQRSA-N 2 0 333.432 0.912 50 0 ECAARP COCC[N@@H+]1CC[C@@H](CN(C)C(=O)CN2CCC[NH+](C)CC2)C1 ZINC000584894915 439625946 /nfs/dbraw/zinc/62/59/46/439625946.db2.gz COSDTHAJGDRLDV-INIZCTEOSA-N 2 0 326.485 0.051 50 0 ECAARP CSCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000952989589 612140121 /nfs/dbraw/zinc/14/01/21/612140121.db2.gz RZBDIOYKTSZUAO-ZDUSSCGKSA-N 2 0 342.509 0.127 50 0 ECAARP Cc1nn2c(nccc2[C@@H]2C[NH2+]CCO2)c1C[NH+]1CCC(O)CC1 ZINC000072344479 216159660 /nfs/dbraw/zinc/15/96/60/216159660.db2.gz JNDNNRAIODVJPI-INIZCTEOSA-N 2 0 331.420 0.655 50 0 ECAARP NC1(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)CC[NH2+]CC1 ZINC000072410160 216202283 /nfs/dbraw/zinc/20/22/83/216202283.db2.gz UKCDIGLGVCNFAJ-SFHVURJKSA-N 2 0 342.487 0.769 50 0 ECAARP NC(=O)CC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012386539 211364728 /nfs/dbraw/zinc/36/47/28/211364728.db2.gz AYMMLWFYHLPHRG-INIZCTEOSA-N 2 0 335.448 0.877 50 0 ECAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091460049 218009504 /nfs/dbraw/zinc/00/95/04/218009504.db2.gz JTAKSPNQLBFFMJ-INIZCTEOSA-N 2 0 349.479 0.529 50 0 ECAARP C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000262555017 165361439 /nfs/dbraw/zinc/36/14/39/165361439.db2.gz WNVMRURBLMEIRT-NUEKZKHPSA-N 2 0 332.448 0.636 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCc2ccccn2)CC1 ZINC000069918474 435977840 /nfs/dbraw/zinc/97/78/40/435977840.db2.gz MPKDZAPBVYFBHI-OAHLLOKOSA-N 2 0 334.464 0.722 50 0 ECAARP Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237694289 436741538 /nfs/dbraw/zinc/74/15/38/436741538.db2.gz FKFQBKIFTUWHBI-WCQYABFASA-N 2 0 332.452 0.866 50 0 ECAARP O=C([C@@H]1C[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000248737182 436809496 /nfs/dbraw/zinc/80/94/96/436809496.db2.gz NTIJIYURTBCPIK-MWDXBVQZSA-N 2 0 346.475 0.236 50 0 ECAARP C[C@@H]1C[N@@H+](CCC(=O)NCC[NH+]2CCC[C@@H](CO)C2)C[C@H](C)O1 ZINC000670444265 548012447 /nfs/dbraw/zinc/01/24/47/548012447.db2.gz YVILPCHWHIBVLV-OWCLPIDISA-N 2 0 327.469 0.306 50 0 ECAARP c1c(CN2CCCN(CCC[NH+]3CCCC3)CC2)nn2c1C[NH2+]CC2 ZINC000072138990 216026579 /nfs/dbraw/zinc/02/65/79/216026579.db2.gz PCYCRPJMLRUEAR-UHFFFAOYSA-N 2 0 346.523 0.980 50 0 ECAARP CC[NH+]1CCC(N2CC[NH2+][C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000072144957 216030791 /nfs/dbraw/zinc/03/07/91/216030791.db2.gz WWVMVTKOVYQAHT-QGZVFWFLSA-N 2 0 331.464 0.456 50 0 ECAARP COCCn1c(CN2CCC[N@@H+]3CCC[C@H]3C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244712707 243062474 /nfs/dbraw/zinc/06/24/74/243062474.db2.gz KVBMRFWVRQQYKM-XHSDSOJGSA-N 2 0 348.495 0.799 50 0 ECAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000069657967 435957576 /nfs/dbraw/zinc/95/75/76/435957576.db2.gz OQVKGIOWBJMRJO-OAHLLOKOSA-N 2 0 334.468 0.591 50 0 ECAARP CSCC[C@H]([NH3+])C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000157299847 436826052 /nfs/dbraw/zinc/82/60/52/436826052.db2.gz JETGIPICQXGMDU-AWEZNQCLSA-N 2 0 325.482 0.535 50 0 ECAARP CC(C)OCC[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000585134526 439633941 /nfs/dbraw/zinc/63/39/41/439633941.db2.gz YBJKDLKEGHPJHN-SFHVURJKSA-N 2 0 341.496 0.839 50 0 ECAARP O=C(C[NH+]1CCCCC1)N1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000004454861 210194016 /nfs/dbraw/zinc/19/40/16/210194016.db2.gz YTFJXCNDGTWNTO-UHFFFAOYSA-N 2 0 336.480 0.629 50 0 ECAARP CN(C)[C@H](CNc1c(=O)c(=O)c1NCC[NH+](C)C)c1ccccc1 ZINC000101694069 219157259 /nfs/dbraw/zinc/15/72/59/219157259.db2.gz JFLKARPJYLORBG-CQSZACIVSA-N 2 0 330.432 0.971 50 0 ECAARP C[N@@H+]1CCOC[C@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072410877 216202338 /nfs/dbraw/zinc/20/23/38/216202338.db2.gz MUTNYCSCPPCPSK-AWEZNQCLSA-N 2 0 330.436 0.818 50 0 ECAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCC1(Cn3cccn3)CC1)CC[NH2+]CC2 ZINC000072431341 216224106 /nfs/dbraw/zinc/22/41/06/216224106.db2.gz DFZNHELKHFSXTE-OAHLLOKOSA-N 2 0 331.464 0.853 50 0 ECAARP Cn1nnnc1SCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063882716 436647395 /nfs/dbraw/zinc/64/73/95/436647395.db2.gz ZHEPDSUWSOMTNB-TZMCWYRMSA-N 2 0 326.470 0.271 50 0 ECAARP COC(=O)c1c(OC[C@@H]2CCC[N@H+](C)C2)cc(=O)n2c1CC[NH2+]CC2 ZINC000299774390 437112271 /nfs/dbraw/zinc/11/22/71/437112271.db2.gz HMIWIBRSJKJKBA-CYBMUJFWSA-N 2 0 349.431 0.501 50 0 ECAARP CCCc1nc(C)cc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)n1 ZINC000426474402 438060756 /nfs/dbraw/zinc/06/07/56/438060756.db2.gz UJYCEHOCCYWSOS-ZIAGYGMSSA-N 2 0 335.452 0.673 50 0 ECAARP C[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)cc2OCCC[NH3+])C[C@H]1CO ZINC000426533853 438065348 /nfs/dbraw/zinc/06/53/48/438065348.db2.gz AUBZCRWJZDFPNE-OLZOCXBDSA-N 2 0 341.839 0.862 50 0 ECAARP O=C([C@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298500 440529048 /nfs/dbraw/zinc/52/90/48/440529048.db2.gz MVQVSGIIHZSQNP-OKZBNKHCSA-N 2 0 344.459 0.571 50 0 ECAARP C[NH+](C)CCCN1CCN(c2cc(C3CC(O)C3)[nH+]c(N)n2)CC1 ZINC000222779022 545924023 /nfs/dbraw/zinc/92/40/23/545924023.db2.gz IRNRKNWVBIDKEV-UHFFFAOYSA-N 2 0 334.468 0.371 50 0 ECAARP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1CCOC1 ZINC000685940609 549727082 /nfs/dbraw/zinc/72/70/82/549727082.db2.gz PRIJUFIEQGZAHT-PMPSAXMXSA-N 3 0 326.485 0.307 50 0 ECAARP Cc1cnn(CC(=O)N[C@@H]2CN(C3CCOCC3)C[C@H]2C[NH+](C)C)c1 ZINC000169791091 609747305 /nfs/dbraw/zinc/74/73/05/609747305.db2.gz MUTOUTYKTWNWJJ-NVXWUHKLSA-N 2 0 349.479 0.349 50 0 ECAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)CC1 ZINC000072140519 216027661 /nfs/dbraw/zinc/02/76/61/216027661.db2.gz VTDPDEBKLHBDLZ-INIZCTEOSA-N 3 0 343.475 0.770 50 0 ECAARP Cc1ncc2c(c1CNC(=O)CN1CCC[N@@H+](C)CC1)CC[NH2+]C2 ZINC000072410200 216202787 /nfs/dbraw/zinc/20/27/87/216202787.db2.gz JPNLHFXYMOBFSS-UHFFFAOYSA-N 2 0 331.464 0.289 50 0 ECAARP Cc1cc(C)n(CCNC(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c(=O)n1 ZINC000072422909 216212379 /nfs/dbraw/zinc/21/23/79/216212379.db2.gz RRBCVOMCRMRMBJ-HNNXBMFYSA-N 2 0 347.463 0.050 50 0 ECAARP Cn1cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000079227328 217201588 /nfs/dbraw/zinc/20/15/88/217201588.db2.gz ZNVYQJQYKOLGEI-UHFFFAOYSA-N 2 0 331.486 0.314 50 0 ECAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000091914772 218088151 /nfs/dbraw/zinc/08/81/51/218088151.db2.gz ZNVLIOAMURZAIW-MRXNPFEDSA-N 2 0 349.479 0.529 50 0 ECAARP C[C@H](O)[C@@H]([NH3+])C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095382381 218314397 /nfs/dbraw/zinc/31/43/97/218314397.db2.gz SULGAPKZEBBOPC-DZGCQCFKSA-N 2 0 337.468 0.249 50 0 ECAARP COCC[NH+]1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071825043 436012575 /nfs/dbraw/zinc/01/25/75/436012575.db2.gz VYIXTCMYTXEBEQ-IBGZPJMESA-N 2 0 333.476 0.670 50 0 ECAARP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1 ZINC000097163902 436540442 /nfs/dbraw/zinc/54/04/42/436540442.db2.gz ODXWKZKUDBQWSU-UHFFFAOYSA-N 2 0 326.466 0.728 50 0 ECAARP OCC[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@@H+]1CC1CC1 ZINC000106943178 436606908 /nfs/dbraw/zinc/60/69/08/436606908.db2.gz SWDQQWJJOSGNEX-HNNXBMFYSA-N 2 0 331.464 0.448 50 0 ECAARP C[NH+]1CCN(c2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000222769361 436703482 /nfs/dbraw/zinc/70/34/82/436703482.db2.gz GUXHPKYSACQIDJ-UHFFFAOYSA-N 2 0 346.475 0.625 50 0 ECAARP CC[C@@H]1CN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C[C@H](C)O ZINC000252474312 436830990 /nfs/dbraw/zinc/83/09/90/436830990.db2.gz AUDGEQSLMUPVLK-AVEIZBFRSA-N 2 0 343.512 0.234 50 0 ECAARP O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097634937 219042970 /nfs/dbraw/zinc/04/29/70/219042970.db2.gz DHEUHPFWNNUFFL-AWEZNQCLSA-N 2 0 347.463 0.494 50 0 ECAARP COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CCC[NH3+])C2=O)c1 ZINC000067675199 215180855 /nfs/dbraw/zinc/18/08/55/215180855.db2.gz CHLHXQLYNVRJBQ-QGZVFWFLSA-N 2 0 339.411 0.626 50 0 ECAARP CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1cn2ccccc2n1 ZINC000067833319 215223033 /nfs/dbraw/zinc/22/30/33/215223033.db2.gz QOSDPKHCWFAQQR-JSGCOSHPSA-N 2 0 329.404 0.331 50 0 ECAARP O=C(CCNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)Nc1nccs1 ZINC000072119547 216013538 /nfs/dbraw/zinc/01/35/38/216013538.db2.gz CHHREZVWRCZSCY-LLVKDONJSA-N 2 0 337.449 0.320 50 0 ECAARP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261825884 165249458 /nfs/dbraw/zinc/24/94/58/165249458.db2.gz KRIMDRWIKCVNKE-CRWXNKLISA-N 2 0 348.413 0.859 50 0 ECAARP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2OCC(=O)N(C)C)CC1 ZINC000222369066 277386409 /nfs/dbraw/zinc/38/64/09/277386409.db2.gz WJYAMDVIQCMMEA-IAGOWNOFSA-N 2 0 341.496 0.959 50 0 ECAARP COCC[NH+]1CCN(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071825044 436013373 /nfs/dbraw/zinc/01/33/73/436013373.db2.gz VYIXTCMYTXEBEQ-LJQANCHMSA-N 2 0 333.476 0.670 50 0 ECAARP O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CC[NH+](C2CCCC2)CC1 ZINC000065395119 436656800 /nfs/dbraw/zinc/65/68/00/436656800.db2.gz VRBBGLAEZQJAGE-OAHLLOKOSA-N 2 0 346.479 0.978 50 0 ECAARP COc1cc2c(cc1CNC(=O)[C@@]13C[NH2+]C[C@@H]1C[N@H+](C)C3)OCCO2 ZINC000065465284 436662419 /nfs/dbraw/zinc/66/24/19/436662419.db2.gz XKCTZQPMAAZYCU-FZKQIMNGSA-N 2 0 347.415 0.234 50 0 ECAARP COc1ccccc1NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000065527492 436666281 /nfs/dbraw/zinc/66/62/81/436666281.db2.gz DBWHCJIQXVGSNQ-FZKQIMNGSA-N 2 0 346.431 0.291 50 0 ECAARP COc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)c(OCC[NH3+])c1 ZINC000426628211 438069318 /nfs/dbraw/zinc/06/93/18/438069318.db2.gz JWIBFXBCNBVKRC-UHFFFAOYSA-N 2 0 337.420 0.219 50 0 ECAARP CC(C)OCC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000585134525 439634707 /nfs/dbraw/zinc/63/47/07/439634707.db2.gz YBJKDLKEGHPJHN-GOSISDBHSA-N 2 0 341.496 0.839 50 0 ECAARP Cc1cccc2nc(CNC(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)cn21 ZINC000072124106 216016834 /nfs/dbraw/zinc/01/68/34/216016834.db2.gz FTHCGOYLQNQRPU-OAHLLOKOSA-N 2 0 327.432 0.991 50 0 ECAARP [NH3+]CC[C@@H]1CN(c2nc(NC3CC3)nc3c2CC[NH2+]CC3)CCO1 ZINC000072447436 216237351 /nfs/dbraw/zinc/23/73/51/216237351.db2.gz DVRIISHQZABBKZ-CYBMUJFWSA-N 2 0 332.452 0.293 50 0 ECAARP O[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1N1CCN(c2cc[nH+]cc2)CC1 ZINC000072463358 436045239 /nfs/dbraw/zinc/04/52/39/436045239.db2.gz IVGPZJSAHZSBGQ-ROUUACIJSA-N 2 0 332.448 0.428 50 0 ECAARP O=C(NCCc1nc(Cc2ccccc2)no1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096140001 436515172 /nfs/dbraw/zinc/51/51/72/436515172.db2.gz GTTVVWOUPAMOAP-UHFFFAOYSA-N 2 0 341.415 0.128 50 0 ECAARP Cc1cc(N2CCC([NH2+]C[C@@H]3COCCO3)CC2)nc(N(C)C)[nH+]1 ZINC000095530148 436500186 /nfs/dbraw/zinc/50/01/86/436500186.db2.gz LJSULGNZVGMTDH-OAHLLOKOSA-N 2 0 335.452 0.825 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCOc2cccc3cccnc32)C1 ZINC000065406884 436660367 /nfs/dbraw/zinc/66/03/67/436660367.db2.gz OBYGOPFMANWQNK-DNVCBOLYSA-N 2 0 340.427 0.881 50 0 ECAARP O=C(NCc1nnc[nH]1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000065454954 436663547 /nfs/dbraw/zinc/66/35/47/436663547.db2.gz ZLWLKIJCEASIGZ-RHSMWYFYSA-N 2 0 326.404 0.143 50 0 ECAARP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)C1CC1 ZINC000188535921 437553836 /nfs/dbraw/zinc/55/38/36/437553836.db2.gz HKZUSBNVGQLJOA-ZIAGYGMSSA-N 2 0 326.485 0.956 50 0 ECAARP C[N@H+](CC(=O)N1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1)CC(C)(C)C ZINC000585122192 439632201 /nfs/dbraw/zinc/63/22/01/439632201.db2.gz QCEOWTDXUWGTJX-OAHLLOKOSA-N 2 0 338.496 0.905 50 0 ECAARP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)CC1 ZINC000670449484 548014442 /nfs/dbraw/zinc/01/44/42/548014442.db2.gz FLARDLFQJNSTNM-HNNXBMFYSA-N 2 0 339.480 0.450 50 0 ECAARP NC(=O)C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000055244362 214293496 /nfs/dbraw/zinc/29/34/96/214293496.db2.gz CWIUDDKJXPJOAN-INIZCTEOSA-N 2 0 335.448 0.877 50 0 ECAARP CN1CCN(C(=O)CCc2csc(N)n2)CC12CC[NH+](C)CC2 ZINC000067727110 215196229 /nfs/dbraw/zinc/19/62/29/215196229.db2.gz GXHZRBJXIGEDGQ-UHFFFAOYSA-N 2 0 337.493 0.896 50 0 ECAARP CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc4n(n3)CC[NH2+]C4)CC2)O1 ZINC000072131017 216020416 /nfs/dbraw/zinc/02/04/16/216020416.db2.gz OVOUZIRNDMFXQL-QGZVFWFLSA-N 2 0 347.463 0.636 50 0 ECAARP Cc1nc2c(c(N3CC[NH+](CCn4ccnc4)CC3)n1)CC[NH2+]CC2 ZINC000072419181 216207550 /nfs/dbraw/zinc/20/75/50/216207550.db2.gz NHXVXPXAPGHQMK-UHFFFAOYSA-N 2 0 341.463 0.492 50 0 ECAARP CCc1ncc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](CC)CC3)C2)cn1 ZINC000095384812 218317193 /nfs/dbraw/zinc/31/71/93/218317193.db2.gz WTWFIHVCYRHWDY-QZTJIDSGSA-N 2 0 347.507 0.717 50 0 ECAARP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583103 289339262 /nfs/dbraw/zinc/33/92/62/289339262.db2.gz FSKUOCYHKMUTRH-FRRDWIJNSA-N 2 0 326.441 0.391 50 0 ECAARP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000058316920 277115409 /nfs/dbraw/zinc/11/54/09/277115409.db2.gz LHIKRQWLMOQRBD-OAHLLOKOSA-N 2 0 341.463 0.861 50 0 ECAARP [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3F)CN2C1=O ZINC000014733719 436076896 /nfs/dbraw/zinc/07/68/96/436076896.db2.gz DIHYNUMXEFKUTQ-BPUTZDHNSA-N 2 0 348.422 0.512 50 0 ECAARP Cc1nc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cn1C ZINC000097163901 436540415 /nfs/dbraw/zinc/54/04/15/436540415.db2.gz YDHZZUNENCWWDZ-UHFFFAOYSA-N 2 0 343.497 0.375 50 0 ECAARP COc1ccccc1OC1CCN(C(=O)C23C[NH2+]CC2C[NH2+]C3)CC1 ZINC000065393811 436658683 /nfs/dbraw/zinc/65/86/83/436658683.db2.gz FUROJQZVTMZZOE-UHFFFAOYSA-N 2 0 345.443 0.874 50 0 ECAARP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)C[C@H]2C)C1 ZINC000252510568 436836064 /nfs/dbraw/zinc/83/60/64/436836064.db2.gz ADRWMNNXYAAYFH-CVEARBPZSA-N 2 0 326.485 0.095 50 0 ECAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000229840271 535119979 /nfs/dbraw/zinc/11/99/79/535119979.db2.gz SXMHHHIMAGUAEI-IAGOWNOFSA-N 2 0 336.480 0.999 50 0 ECAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000102688602 219222613 /nfs/dbraw/zinc/22/26/13/219222613.db2.gz WNCKAJDJJHOMGQ-ZSHCYNCHSA-N 2 0 331.464 0.616 50 0 ECAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ncnn1C)CC[NH+](C)CC2 ZINC000072447701 216237222 /nfs/dbraw/zinc/23/72/22/216237222.db2.gz XRLDVJISOAGZHS-OAHLLOKOSA-N 2 0 348.495 0.670 50 0 ECAARP C[C@@H](Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000072474521 216251843 /nfs/dbraw/zinc/25/18/43/216251843.db2.gz GUWBVUONPCHSQH-HNNXBMFYSA-N 2 0 343.479 0.876 50 0 ECAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000091914773 218087933 /nfs/dbraw/zinc/08/79/33/218087933.db2.gz ZNVLIOAMURZAIW-INIZCTEOSA-N 2 0 349.479 0.529 50 0 ECAARP C[NH2+]CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082114938 277263555 /nfs/dbraw/zinc/26/35/55/277263555.db2.gz UHMIKZPJVMEJIM-OAHLLOKOSA-N 2 0 336.480 0.531 50 0 ECAARP CCOCC[NH+]1CCC2(CC1)CC[N@H+](CCC(N)=O)C[C@H]2CO ZINC000102543300 436551309 /nfs/dbraw/zinc/55/13/09/436551309.db2.gz YKCDLEXIOYBHGE-HNNXBMFYSA-N 2 0 327.469 0.295 50 0 ECAARP CC(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000106662763 436600812 /nfs/dbraw/zinc/60/08/12/436600812.db2.gz PGWYCFUUUPEOLO-HZMVEIRTSA-N 2 0 341.496 0.645 50 0 ECAARP Cc1cc(NCCC[N@@H+]2CCC[C@@H](O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065421276 436659647 /nfs/dbraw/zinc/65/96/47/436659647.db2.gz DPHDQHIYBUMCHX-OAHLLOKOSA-N 2 0 335.452 0.880 50 0 ECAARP C[C@@H]1C[N@@H+](CCC(=O)NCC[NH+]2CCC[C@H](CO)C2)C[C@H](C)O1 ZINC000670444266 548012309 /nfs/dbraw/zinc/01/23/09/548012309.db2.gz YVILPCHWHIBVLV-XHSDSOJGSA-N 2 0 327.469 0.306 50 0 ECAARP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccn1CCN1CCOCC1 ZINC000864058821 590053229 /nfs/dbraw/zinc/05/32/29/590053229.db2.gz VVVQJOTYDQDIGH-JKSUJKDBSA-N 2 0 334.464 0.985 50 0 ECAARP C[NH+](C)C[C@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1ccccc1 ZINC000072431169 216223487 /nfs/dbraw/zinc/22/34/87/216223487.db2.gz DJHKNTAAIOTGLP-INIZCTEOSA-N 2 0 326.448 0.884 50 0 ECAARP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000020912398 212186090 /nfs/dbraw/zinc/18/60/90/212186090.db2.gz NGFHEFMKUPCFOZ-MRXNPFEDSA-N 2 0 338.496 0.731 50 0 ECAARP COCC[N@@H+]1CC[C@@H](C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)C1 ZINC000067677437 285053274 /nfs/dbraw/zinc/05/32/74/285053274.db2.gz UBJKLEQCKPJXHA-MRXNPFEDSA-N 2 0 338.496 0.193 50 0 ECAARP C[C@H]1C[N@@H+](C2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)CCO1 ZINC000299739120 258010833 /nfs/dbraw/zinc/01/08/33/258010833.db2.gz KTSKCZVTDMQWFZ-GOEBONIOSA-N 2 0 325.453 0.467 50 0 ECAARP Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000075132896 436151861 /nfs/dbraw/zinc/15/18/61/436151861.db2.gz NAQACEMQVJYNEM-LBPRGKRZSA-N 2 0 337.468 0.990 50 0 ECAARP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000058316922 436624092 /nfs/dbraw/zinc/62/40/92/436624092.db2.gz LHIKRQWLMOQRBD-HNNXBMFYSA-N 2 0 341.463 0.861 50 0 ECAARP COc1cccc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)c1OC ZINC000065460443 436663734 /nfs/dbraw/zinc/66/37/34/436663734.db2.gz NTIYYOIJCJMBPA-RDTXWAMCSA-N 2 0 333.432 0.514 50 0 ECAARP C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000237409986 436734668 /nfs/dbraw/zinc/73/46/68/436734668.db2.gz SLNZMTOGHRJRML-RKVPGOIHSA-N 2 0 347.459 0.900 50 0 ECAARP Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237491634 436735572 /nfs/dbraw/zinc/73/55/72/436735572.db2.gz FKFQBKIFTUWHBI-YPMHNXCESA-N 2 0 332.452 0.866 50 0 ECAARP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000585089815 546288119 /nfs/dbraw/zinc/28/81/19/546288119.db2.gz GQNBEQKJGRZLMA-FUHWJXTLSA-N 2 0 344.459 0.571 50 0 ECAARP [NH3+]C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000864094139 590055507 /nfs/dbraw/zinc/05/55/07/590055507.db2.gz HERKYJJPDOEYGQ-SJORKVTESA-N 2 0 337.489 0.990 50 0 ECAARP Cn1c(Cn2ccnc2)nnc1C1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000101906778 219171227 /nfs/dbraw/zinc/17/12/27/219171227.db2.gz JVFWRQLXAMHIKT-ZSHCYNCHSA-N 2 0 341.463 0.705 50 0 ECAARP COCc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)C3)[nH]n1 ZINC000067723765 215194541 /nfs/dbraw/zinc/19/45/41/215194541.db2.gz NLBDEKBZGUVDRO-FZKQIMNGSA-N 2 0 347.463 0.636 50 0 ECAARP Cc1cc[nH+]c(NCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000067884840 215240655 /nfs/dbraw/zinc/24/06/55/215240655.db2.gz CVIZCUICMIFYTK-CQSZACIVSA-N 2 0 343.435 0.823 50 0 ECAARP [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccsc3)CN2C1=O ZINC000014530864 211740717 /nfs/dbraw/zinc/74/07/17/211740717.db2.gz YMAUABPUSKKBLX-IHRRRGAJSA-N 2 0 336.461 0.435 50 0 ECAARP CNc1cc(C)[nH+]c(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)n1 ZINC000091746569 218058592 /nfs/dbraw/zinc/05/85/92/218058592.db2.gz WGLHHZAEUYQZPW-HZPDHXFCSA-N 2 0 348.495 0.509 50 0 ECAARP CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)C[NH3+])CC2)OC1=O ZINC000077421211 277374484 /nfs/dbraw/zinc/37/44/84/277374484.db2.gz SVEXYLFDJMGEEV-UHFFFAOYSA-N 2 0 340.468 0.736 50 0 ECAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2cnc(N)nc2)CC1 ZINC000012592674 436051485 /nfs/dbraw/zinc/05/14/85/436051485.db2.gz TVAVPASTPTUFTL-UHFFFAOYSA-N 2 0 334.468 0.729 50 0 ECAARP Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000075132893 436153001 /nfs/dbraw/zinc/15/30/01/436153001.db2.gz NAQACEMQVJYNEM-GFCCVEGCSA-N 2 0 337.468 0.990 50 0 ECAARP OCC[N@H+]1CCc2nnc([C@H]3CC[NH+](Cc4cccnc4)C3)n2CC1 ZINC000257188939 436857694 /nfs/dbraw/zinc/85/76/94/436857694.db2.gz NFQIBTBSUMEVIT-INIZCTEOSA-N 2 0 342.447 0.513 50 0 ECAARP CN1CC[N@H+](C)CC12CCN(C(=O)[C@H]([NH3+])Cc1ccccc1)CC2 ZINC000067871567 215236692 /nfs/dbraw/zinc/23/66/92/215236692.db2.gz KYTNJOBJRDGBKU-QGZVFWFLSA-N 2 0 330.476 0.795 50 0 ECAARP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000069017219 215352180 /nfs/dbraw/zinc/35/21/80/215352180.db2.gz XUIJTJGLSKCONL-ZIAGYGMSSA-N 2 0 338.452 0.359 50 0 ECAARP Cc1cccc(N2CCN(C(=O)[C@@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CC2)n1 ZINC000072168168 216059490 /nfs/dbraw/zinc/05/94/90/216059490.db2.gz STLAWTNEZRECNA-INIZCTEOSA-N 2 0 343.475 0.770 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2CCOCC2)CC1 ZINC000069820311 278395019 /nfs/dbraw/zinc/39/50/19/278395019.db2.gz MIILLBTYVNQRNY-CQSZACIVSA-N 2 0 327.469 0.306 50 0 ECAARP [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3)CN2C1=O ZINC000014540795 436072723 /nfs/dbraw/zinc/07/27/23/436072723.db2.gz SHAYDUIRMBBFHQ-JYJNAYRXSA-N 2 0 330.432 0.373 50 0 ECAARP O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)[C@@H]1C[NH2+]CCO1 ZINC000082166192 436363911 /nfs/dbraw/zinc/36/39/11/436363911.db2.gz DRGDBOKXEJVVJD-KRWDZBQOSA-N 2 0 347.463 0.636 50 0 ECAARP O=C(c1cn(C[C@H]2CCC[NH2+]C2)nn1)N1CC[NH+](C2CCCC2)CC1 ZINC000065395120 436657613 /nfs/dbraw/zinc/65/76/13/436657613.db2.gz VRBBGLAEZQJAGE-HNNXBMFYSA-N 2 0 346.479 0.978 50 0 ECAARP O=C(NCCc1cn[nH]c1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000067695381 215187983 /nfs/dbraw/zinc/18/79/83/215187983.db2.gz WMAQTNASSZKSHK-IEBWSBKVSA-N 2 0 339.443 0.790 50 0 ECAARP C[N@@H+]1CCC[C@H](CN2CCN(Cc3cc4n(n3)CC[NH2+]C4)CC2)C1 ZINC000072167378 216058259 /nfs/dbraw/zinc/05/82/59/216058259.db2.gz ARHRKWBZRFTZNZ-INIZCTEOSA-N 2 0 332.496 0.446 50 0 ECAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072410472 216202543 /nfs/dbraw/zinc/20/25/43/216202543.db2.gz ACISODIMLKRAJK-CYBMUJFWSA-N 2 0 337.493 0.848 50 0 ECAARP OC[C@@H]1CCC[N@H+](CCn2ccnc2-c2cc3n(n2)CC[NH2+]C3)C1 ZINC000072440087 216233623 /nfs/dbraw/zinc/23/36/23/216233623.db2.gz QWKPHNNNVVNINI-CQSZACIVSA-N 2 0 330.436 0.554 50 0 ECAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc(COC)nc3)CC[C@H]21 ZINC000072479649 216258109 /nfs/dbraw/zinc/25/81/09/216258109.db2.gz BGUHLRHOKUXHSX-JKSUJKDBSA-N 2 0 347.463 0.655 50 0 ECAARP COCCn1c(CN2CC([NH+]3CCCCC3)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244742117 243073966 /nfs/dbraw/zinc/07/39/66/243073966.db2.gz OCDKSBFFNDDSDX-SHTZXODSSA-N 2 0 348.495 0.799 50 0 ECAARP Cc1[nH+]c(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1C ZINC000091988449 218099168 /nfs/dbraw/zinc/09/91/68/218099168.db2.gz RHTGKBNIKNEHRB-HUUCEWRRSA-N 2 0 337.468 0.128 50 0 ECAARP C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069950543 435979560 /nfs/dbraw/zinc/97/95/60/435979560.db2.gz XJEYLWIVDHORNW-NSHDSACASA-N 2 0 325.375 0.690 50 0 ECAARP Cc1cc(C)n(CCNC(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c(=O)n1 ZINC000072422910 436044874 /nfs/dbraw/zinc/04/48/74/436044874.db2.gz RRBCVOMCRMRMBJ-OAHLLOKOSA-N 2 0 347.463 0.050 50 0 ECAARP O=C(NCCN1CCCCC1=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065387327 436657019 /nfs/dbraw/zinc/65/70/19/436657019.db2.gz UOJHCZKMAPCAKJ-DNVCBOLYSA-N 2 0 348.491 0.579 50 0 ECAARP CN(c1ccccc1CN1CCO[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000222076491 436702201 /nfs/dbraw/zinc/70/22/01/436702201.db2.gz KONBUVRQMOUIBY-GOSISDBHSA-N 2 0 346.475 0.903 50 0 ECAARP NC(=O)C1CC[NH+](CCCNc2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000222695830 436703577 /nfs/dbraw/zinc/70/35/77/436703577.db2.gz VFHNONNIZVVMBR-UHFFFAOYSA-N 2 0 332.452 0.681 50 0 ECAARP C[NH+]1CCN(c2ccc(CNC(=O)NCC[NH+]3CCCC3)cn2)CC1 ZINC000065565555 436667905 /nfs/dbraw/zinc/66/79/05/436667905.db2.gz WJVIMBUWNVQUMD-UHFFFAOYSA-N 2 0 346.479 0.728 50 0 ECAARP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000245338829 436760436 /nfs/dbraw/zinc/76/04/36/436760436.db2.gz OTXJEPWTUGLFNW-CVEARBPZSA-N 2 0 325.501 0.606 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000248010420 436799768 /nfs/dbraw/zinc/79/97/68/436799768.db2.gz PGLSRJXKJRPVCP-JENIJYKNSA-N 2 0 335.492 0.866 50 0 ECAARP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000585089816 546287741 /nfs/dbraw/zinc/28/77/41/546287741.db2.gz GQNBEQKJGRZLMA-SJLPKXTDSA-N 2 0 344.459 0.571 50 0 ECAARP Cc1ccccc1[C@H](CNC(=O)C[NH+]1CCC(C(N)=O)CC1)[NH+](C)C ZINC000091547892 612875977 /nfs/dbraw/zinc/87/59/77/612875977.db2.gz NYSZJQUOBNCATR-KRWDZBQOSA-N 2 0 346.475 0.911 50 0 ECAARP COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]CCC[NH3+])C2=O)c1 ZINC000067675198 215180198 /nfs/dbraw/zinc/18/01/98/215180198.db2.gz CHLHXQLYNVRJBQ-KRWDZBQOSA-N 2 0 339.411 0.626 50 0 ECAARP CCc1c(C)nn(CCNC(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c1C ZINC000072133287 216021937 /nfs/dbraw/zinc/02/19/37/216021937.db2.gz GISAJCWPMKYDDB-INIZCTEOSA-N 2 0 333.480 0.910 50 0 ECAARP CC[NH+]1CCN(C[C@@H]2CN(c3nc(NC)cc(C)[nH+]3)C[C@@H]2CO)CC1 ZINC000095380059 218312158 /nfs/dbraw/zinc/31/21/58/218312158.db2.gz IARGWABBJPMDSL-HZPDHXFCSA-N 2 0 348.495 0.509 50 0 ECAARP CN(CC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C)C1CC[NH2+]CC1 ZINC000299760951 258077660 /nfs/dbraw/zinc/07/76/60/258077660.db2.gz SDMYRNUNWKXXRI-GOSISDBHSA-N 2 0 330.476 0.843 50 0 ECAARP [NH3+]Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H](O)C2)cc1 ZINC000097522767 295278038 /nfs/dbraw/zinc/27/80/38/295278038.db2.gz KVRMXCFRGFEAQL-KRWDZBQOSA-N 2 0 326.400 0.864 50 0 ECAARP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071877128 436025505 /nfs/dbraw/zinc/02/55/05/436025505.db2.gz YHRAHFTZQUDUKJ-LPHOPBHVSA-N 2 0 333.476 0.404 50 0 ECAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014744838 436076007 /nfs/dbraw/zinc/07/60/07/436076007.db2.gz SJIZADCXRMQRMS-CQSZACIVSA-N 2 0 340.468 0.702 50 0 ECAARP Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000077458082 436238688 /nfs/dbraw/zinc/23/86/88/436238688.db2.gz YTEJEMOQSULKHR-OAHLLOKOSA-N 2 0 342.447 0.797 50 0 ECAARP O=C([C@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082087601 436361131 /nfs/dbraw/zinc/36/11/31/436361131.db2.gz JOSCEADPMRVDJE-GOSISDBHSA-N 2 0 329.444 0.677 50 0 ECAARP C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C(N)=O)CC3)C[C@@](C)(C1)C2 ZINC000065382605 436655443 /nfs/dbraw/zinc/65/54/43/436655443.db2.gz NRLQWYMLNDNZCP-HDICACEKSA-N 2 0 336.480 0.374 50 0 ECAARP [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)nn2)CC1 ZINC000252669231 436837839 /nfs/dbraw/zinc/83/78/39/436837839.db2.gz GXTYMEMTNCRPCE-XRGAULLZSA-N 2 0 348.451 0.314 50 0 ECAARP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000261906932 436894574 /nfs/dbraw/zinc/89/45/74/436894574.db2.gz SMAGCVDKBBDJMB-YRGRVCCFSA-N 2 0 334.386 0.328 50 0 ECAARP [NH3+]CCOc1ccc(CC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000426428836 438060954 /nfs/dbraw/zinc/06/09/54/438060954.db2.gz FZQQCSHWCDBGDB-IRXDYDNUSA-N 2 0 333.432 0.234 50 0 ECAARP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000069017214 215352403 /nfs/dbraw/zinc/35/24/03/215352403.db2.gz XUIJTJGLSKCONL-OKILXGFUSA-N 2 0 338.452 0.359 50 0 ECAARP COCCN(Cc1nccs1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072151381 216039173 /nfs/dbraw/zinc/03/91/73/216039173.db2.gz NEJLFDGGRWCEMH-ZDUSSCGKSA-N 2 0 338.477 0.850 50 0 ECAARP O=C(CC[NH+]1Cc2ccccc2C1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072165763 216054085 /nfs/dbraw/zinc/05/40/85/216054085.db2.gz YDFNLANOLAQKCT-IBGZPJMESA-N 2 0 345.443 0.610 50 0 ECAARP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000229840262 242205031 /nfs/dbraw/zinc/20/50/31/242205031.db2.gz SXMHHHIMAGUAEI-SJORKVTESA-N 2 0 336.480 0.999 50 0 ECAARP C[NH2+][C@@H](CO)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082127709 436360987 /nfs/dbraw/zinc/36/09/87/436360987.db2.gz JNSBLISRIPYLSY-KRWDZBQOSA-N 2 0 349.479 0.618 50 0 ECAARP CC(C)C[N@@H+]1CCn2nc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2C1 ZINC000082120316 436361247 /nfs/dbraw/zinc/36/12/47/436361247.db2.gz CQLYPWLEMJAKRH-OAHLLOKOSA-N 2 0 335.452 0.349 50 0 ECAARP O=C([C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082087600 436361418 /nfs/dbraw/zinc/36/14/18/436361418.db2.gz JOSCEADPMRVDJE-SFHVURJKSA-N 2 0 329.444 0.677 50 0 ECAARP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCOCC[NH+](C)C ZINC000097164991 436540534 /nfs/dbraw/zinc/54/05/34/436540534.db2.gz FFLMFDGOQLSXBC-UHFFFAOYSA-N 2 0 325.457 0.233 50 0 ECAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000101384187 436548612 /nfs/dbraw/zinc/54/86/12/436548612.db2.gz SXMHHHIMAGUAEI-DLBZAZTESA-N 2 0 336.480 0.999 50 0 ECAARP NC(=O)c1ccc(-c2nc3c([nH]2)C[N@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)CC3)cc1 ZINC000220198688 436699429 /nfs/dbraw/zinc/69/94/29/436699429.db2.gz DYGOLDDVHCMDQM-FICVDOATSA-N 2 0 337.427 0.999 50 0 ECAARP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000153231960 436752248 /nfs/dbraw/zinc/75/22/48/436752248.db2.gz WAQLMHXFIQTVLD-IYBDPMFKSA-N 2 0 331.464 0.803 50 0 ECAARP COC(=O)c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)cc1 ZINC000023358083 738220987 /nfs/dbraw/zinc/22/09/87/738220987.db2.gz IZTNQYRULPGEOG-QZTJIDSGSA-N 2 0 347.459 0.656 50 0 ECAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000091468841 218010908 /nfs/dbraw/zinc/01/09/08/218010908.db2.gz PHHKDFBPEKCULJ-HNNXBMFYSA-N 2 0 345.447 0.236 50 0 ECAARP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261825887 165249148 /nfs/dbraw/zinc/24/91/48/165249148.db2.gz KRIMDRWIKCVNKE-XUXIUFHCSA-N 2 0 348.413 0.859 50 0 ECAARP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000106583101 298132164 /nfs/dbraw/zinc/13/21/64/298132164.db2.gz FSKUOCYHKMUTRH-JHJVBQTASA-N 2 0 326.441 0.391 50 0 ECAARP CCc1nc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)C3)no1 ZINC000065427003 436658925 /nfs/dbraw/zinc/65/89/25/436658925.db2.gz XUBLRDIPOTWPQG-SJKOYZFVSA-N 2 0 333.436 0.712 50 0 ECAARP C[C@H](O)C[NH+]1CCC(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069510318 436777577 /nfs/dbraw/zinc/77/75/77/436777577.db2.gz LKLIVEOJSYFYCB-QWRGUYRKSA-N 2 0 325.375 0.736 50 0 ECAARP O=C([C@@H]1CCC[NH+](Cc2cccnc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298499 440529343 /nfs/dbraw/zinc/52/93/43/440529343.db2.gz MVQVSGIIHZSQNP-FGTMMUONSA-N 2 0 344.459 0.571 50 0 ECAARP Cc1cc2c(cc1C[N@@H+]1CC[C@H](CNC(=O)C3C[NH2+]C3)C1)OCCO2 ZINC000067867413 215234490 /nfs/dbraw/zinc/23/44/90/215234490.db2.gz SKIBREGDOWXMAD-CQSZACIVSA-N 2 0 345.443 0.924 50 0 ECAARP Cc1nc(C2CC[NH2+]CC2)cc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)n1 ZINC000067955528 215259326 /nfs/dbraw/zinc/25/93/26/215259326.db2.gz YHWIYQIZNYAYPS-IRXDYDNUSA-N 2 0 331.464 0.897 50 0 ECAARP CS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000069415681 215403349 /nfs/dbraw/zinc/40/33/49/215403349.db2.gz BEGLZLOESUCNLW-UHFFFAOYSA-N 2 0 326.462 0.884 50 0 ECAARP Cc1nc2c(c(N3CCC(O)(C[NH+]4CCCC4)CC3)n1)CC[NH2+]CC2 ZINC000072424786 216214727 /nfs/dbraw/zinc/21/47/27/216214727.db2.gz DUWSUIVITNTQMK-UHFFFAOYSA-N 2 0 345.491 0.900 50 0 ECAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC000095353605 218286675 /nfs/dbraw/zinc/28/66/75/218286675.db2.gz MOZBDTSQHNSNGN-HNNXBMFYSA-N 2 0 337.468 0.251 50 0 ECAARP C[NH+]1CCN(Cc2ccc(N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)nc2)CC1 ZINC000095373243 218305662 /nfs/dbraw/zinc/30/56/62/218305662.db2.gz NKYMWKDHXWPXMG-HKUYNNGSSA-N 2 0 345.491 0.380 50 0 ECAARP CN(CC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C)C1CC[NH2+]CC1 ZINC000299760955 258078191 /nfs/dbraw/zinc/07/81/91/258078191.db2.gz SDMYRNUNWKXXRI-SFHVURJKSA-N 2 0 330.476 0.843 50 0 ECAARP CN1CCc2c(sc3c2c(NCC[NH+](C)C)nc2nnnn23)C1 ZINC000002215016 435965630 /nfs/dbraw/zinc/96/56/30/435965630.db2.gz PFTNOOXGMLFFKT-UHFFFAOYSA-N 2 0 332.437 0.695 50 0 ECAARP [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cccc(F)c3)CN2C1=O ZINC000014538687 436072544 /nfs/dbraw/zinc/07/25/44/436072544.db2.gz NXCGLHSBLFEERV-JYJNAYRXSA-N 2 0 348.422 0.512 50 0 ECAARP C[C@@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000065449877 436661031 /nfs/dbraw/zinc/66/10/31/436661031.db2.gz INLLJYPATXZYKN-AWEZNQCLSA-N 2 0 334.468 0.583 50 0 ECAARP COCCN(C)c1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000240444226 436757752 /nfs/dbraw/zinc/75/77/52/436757752.db2.gz FWTUDMMQTDRYIA-INIZCTEOSA-N 2 0 335.496 0.890 50 0 ECAARP Cn1c(CN2CCN(c3cc[nH+]cc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000240662392 436759573 /nfs/dbraw/zinc/75/95/73/436759573.db2.gz PKPOBIYMAZEVLE-HDJSIYSDSA-N 2 0 327.436 0.737 50 0 ECAARP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+](C)C1CC1 ZINC000188535945 437554443 /nfs/dbraw/zinc/55/44/43/437554443.db2.gz HKZUSBNVGQLJOA-KGLIPLIRSA-N 2 0 326.485 0.956 50 0 ECAARP COc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1OCC[NH3+] ZINC000426573076 438068007 /nfs/dbraw/zinc/06/80/07/438068007.db2.gz KWXTVJSEHKQTNV-GJZGRUSLSA-N 2 0 349.431 0.314 50 0 ECAARP C[NH+](C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)CCn1cccn1 ZINC000169791085 609747285 /nfs/dbraw/zinc/74/72/85/609747285.db2.gz JBLJOGKEDQNSNJ-NVXWUHKLSA-N 2 0 349.479 0.430 50 0 ECAARP CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000067947605 215256664 /nfs/dbraw/zinc/25/66/64/215256664.db2.gz HOSRNKWYBJSAJJ-ZBFHGGJFSA-N 2 0 348.447 0.556 50 0 ECAARP Nc1nc2c(c(N3CCC[C@H](C[NH+]4CCOCC4)C3)n1)CC[NH2+]CC2 ZINC000072421589 216210128 /nfs/dbraw/zinc/21/01/28/216210128.db2.gz CIOGVZGHKHHEBV-CQSZACIVSA-N 2 0 346.479 0.296 50 0 ECAARP C[NH+]1CCN(CC[NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000020220163 212113756 /nfs/dbraw/zinc/11/37/56/212113756.db2.gz ARONPUAQQAPVMB-HNNXBMFYSA-N 2 0 334.395 0.295 50 0 ECAARP COc1cccc([C@H]2CN(C(=O)CN3CCC[N@H+](C)CC3)C[C@@H]2[NH3+])c1 ZINC000091624954 218033159 /nfs/dbraw/zinc/03/31/59/218033159.db2.gz NWSQQTLQMWTMMI-MSOLQXFVSA-N 2 0 346.475 0.586 50 0 ECAARP COCC[NH+]1CCC(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)CC1 ZINC000072149893 436033020 /nfs/dbraw/zinc/03/30/20/436033020.db2.gz YWAKOEZURCKWEI-QGZVFWFLSA-N 2 0 327.469 0.036 50 0 ECAARP Cc1c[nH+]ccc1N1CCCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000221251489 436701642 /nfs/dbraw/zinc/70/16/42/436701642.db2.gz OAEOYBIUOHMRBF-INIZCTEOSA-N 2 0 332.448 0.885 50 0 ECAARP COCCN(C)c1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000240444227 436757518 /nfs/dbraw/zinc/75/75/18/436757518.db2.gz FWTUDMMQTDRYIA-MRXNPFEDSA-N 2 0 335.496 0.890 50 0 ECAARP Nc1nc(N2CCC(C[NH+]3CCOCC3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252532933 436837801 /nfs/dbraw/zinc/83/78/01/436837801.db2.gz FLXPGYCCACZBMN-GASCZTMLSA-N 2 0 347.463 0.846 50 0 ECAARP COc1cccc([C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[NH+]2CCCC2)c1 ZINC000277348965 437210896 /nfs/dbraw/zinc/21/08/96/437210896.db2.gz BKJZKPUCFGDAPC-UAGQMJEPSA-N 2 0 333.432 0.671 50 0 ECAARP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)CC1 ZINC000670449485 548014139 /nfs/dbraw/zinc/01/41/39/548014139.db2.gz FLARDLFQJNSTNM-OAHLLOKOSA-N 2 0 339.480 0.450 50 0 ECAARP O=C(NCc1cc2n(n1)CC[NH2+]C2)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097634936 219042935 /nfs/dbraw/zinc/04/29/35/219042935.db2.gz DHEUHPFWNNUFFL-CQSZACIVSA-N 2 0 347.463 0.494 50 0 ECAARP COCC[N@@H+]1CC[C@H](CN(C)c2nc(N)nc3c2CC[NH2+]CC3)C1 ZINC000072421650 216210441 /nfs/dbraw/zinc/21/04/41/216210441.db2.gz ZYASCWGGZTXQTP-CYBMUJFWSA-N 2 0 334.468 0.152 50 0 ECAARP C[NH2+]Cc1cn(C[C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC000023158885 212356550 /nfs/dbraw/zinc/35/65/50/212356550.db2.gz UXIYXVKRRWHLKT-INIZCTEOSA-N 2 0 348.495 0.968 50 0 ECAARP CC(C)C[N@H+](C)CCN1CC2(CC[NH+](C[C@H](O)CO)CC2)OC1=O ZINC000072406786 277374456 /nfs/dbraw/zinc/37/44/56/277374456.db2.gz LFEJZBAWSLJLDI-HNNXBMFYSA-N 2 0 343.468 0.214 50 0 ECAARP Cc1nn(CC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1CN1CC[NH+](C)CC1 ZINC000065435887 436661949 /nfs/dbraw/zinc/66/19/49/436661949.db2.gz WFQRNMHEEDADHA-INIZCTEOSA-N 2 0 348.495 0.136 50 0 ECAARP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H](C)[NH2+]1 ZINC000153232160 436752310 /nfs/dbraw/zinc/75/23/10/436752310.db2.gz WAQLMHXFIQTVLD-HZPDHXFCSA-N 2 0 331.464 0.803 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000069510321 436777014 /nfs/dbraw/zinc/77/70/14/436777014.db2.gz LKLIVEOJSYFYCB-MNOVXSKESA-N 2 0 325.375 0.736 50 0 ECAARP Cc1ccccc1[C@@H](CNC(=O)C[NH+]1CCC(C(N)=O)CC1)[NH+](C)C ZINC000091547891 612875813 /nfs/dbraw/zinc/87/58/13/612875813.db2.gz NYSZJQUOBNCATR-QGZVFWFLSA-N 2 0 346.475 0.911 50 0 ECAARP Cc1cccc2nc(CNC(=O)[C@@H]3CC4(C[NH2+]3)CC[NH2+]CC4)cn21 ZINC000072124105 216016038 /nfs/dbraw/zinc/01/60/38/216016038.db2.gz FTHCGOYLQNQRPU-HNNXBMFYSA-N 2 0 327.432 0.991 50 0 ECAARP O=C(NCc1cccnc1-n1cncn1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072166712 216056440 /nfs/dbraw/zinc/05/64/40/216056440.db2.gz VXBOVSPNLWMCSH-AWEZNQCLSA-N 2 0 341.419 0.010 50 0 ECAARP Cc1nn2c(nccc2[C@H]2C[NH2+]CCO2)c1C[NH+]1CCC(O)CC1 ZINC000072344480 216159450 /nfs/dbraw/zinc/15/94/50/216159450.db2.gz JNDNNRAIODVJPI-MRXNPFEDSA-N 2 0 331.420 0.655 50 0 ECAARP C[NH2+]Cc1cn(C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC000023158882 212356984 /nfs/dbraw/zinc/35/69/84/212356984.db2.gz UXIYXVKRRWHLKT-MRXNPFEDSA-N 2 0 348.495 0.968 50 0 ECAARP CCc1cc(N2C[C@H](CO)[C@H](C[NH+](C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC000092019825 218104894 /nfs/dbraw/zinc/10/48/94/218104894.db2.gz OIPLZXUVQNMIPU-HUUCEWRRSA-N 2 0 349.479 0.482 50 0 ECAARP O=C(NCc1cc2n(n1)CC[N@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2)C1CCCC1 ZINC000299772512 258084680 /nfs/dbraw/zinc/08/46/80/258084680.db2.gz AIMKCMSHAIDZKA-PIIMJCKOSA-N 2 0 343.475 0.971 50 0 ECAARP C[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000262555014 165361456 /nfs/dbraw/zinc/36/14/56/165361456.db2.gz WNVMRURBLMEIRT-BPUTZDHNSA-N 2 0 332.448 0.636 50 0 ECAARP C[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000262555015 165361734 /nfs/dbraw/zinc/36/17/34/165361734.db2.gz WNVMRURBLMEIRT-CWRNSKLLSA-N 2 0 332.448 0.636 50 0 ECAARP Cc1nnc2n1CCN(C(=O)[C@H]1CC3(C[N@H+]1C)CC[NH2+]CC3)CC2 ZINC000072417859 279237980 /nfs/dbraw/zinc/23/79/80/279237980.db2.gz MITOVCZZTQRKKH-CQSZACIVSA-N 2 0 332.452 0.045 50 0 ECAARP O[C@@]1(CN2CC[NH+](CCCOc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000077453148 436237597 /nfs/dbraw/zinc/23/75/97/436237597.db2.gz HTZRZSXGYWZLPA-SFHVURJKSA-N 2 0 337.439 0.937 50 0 ECAARP [NH3+]C[C@@H]1CN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)CCO1 ZINC000065405186 436656726 /nfs/dbraw/zinc/65/67/26/436656726.db2.gz KLXNLTCWYNZWLZ-CQSZACIVSA-N 2 0 340.431 0.391 50 0 ECAARP Nc1nc(C2CC([NH3+])C2)cc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000222300603 436702352 /nfs/dbraw/zinc/70/23/52/436702352.db2.gz VLJIRFTXDQIZSO-UHFFFAOYSA-N 2 0 346.479 0.812 50 0 ECAARP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065610307 436668917 /nfs/dbraw/zinc/66/89/17/436668917.db2.gz FSKUOCYHKMUTRH-XQQFMLRXSA-N 2 0 326.441 0.391 50 0 ECAARP Cc1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237715808 436742324 /nfs/dbraw/zinc/74/23/24/436742324.db2.gz FKFQBKIFTUWHBI-AAEUAGOBSA-N 2 0 332.452 0.866 50 0 ECAARP C[N@@H+]1CCOC[C@@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072410878 216202890 /nfs/dbraw/zinc/20/28/90/216202890.db2.gz MUTNYCSCPPCPSK-CQSZACIVSA-N 2 0 330.436 0.818 50 0 ECAARP Cn1cnnc1C1CCN(C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)CC1 ZINC000072475664 216252531 /nfs/dbraw/zinc/25/25/31/216252531.db2.gz BHNALHNTKFAEHM-OAHLLOKOSA-N 2 0 346.479 0.595 50 0 ECAARP CN(C)c1ncc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cn1 ZINC000091915301 218087883 /nfs/dbraw/zinc/08/78/83/218087883.db2.gz HAMQAAYXDFILGD-CABCVRRESA-N 2 0 335.452 0.233 50 0 ECAARP COCC[N@@H+]1CC[C@H](C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)C1 ZINC000067677439 285056980 /nfs/dbraw/zinc/05/69/80/285056980.db2.gz UBJKLEQCKPJXHA-INIZCTEOSA-N 2 0 338.496 0.193 50 0 ECAARP c1ccc(N2CC[NH+](CCN3CCN([C@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000244574859 275067709 /nfs/dbraw/zinc/06/77/09/275067709.db2.gz CSKARBPCSUTODP-FQEVSTJZSA-N 2 0 343.519 0.788 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCC(F)(F)F)CC1 ZINC000069778620 278395096 /nfs/dbraw/zinc/39/50/96/278395096.db2.gz XDMVFZDNFVTAAB-LLVKDONJSA-N 2 0 325.375 0.690 50 0 ECAARP CCc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000071730226 436010229 /nfs/dbraw/zinc/01/02/29/436010229.db2.gz PISLSMFKGAYGIS-HZPDHXFCSA-N 2 0 348.495 0.292 50 0 ECAARP O=C(CC[NH+]1Cc2ccccc2C1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072165762 436037832 /nfs/dbraw/zinc/03/78/32/436037832.db2.gz YDFNLANOLAQKCT-LJQANCHMSA-N 2 0 345.443 0.610 50 0 ECAARP C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000077408144 436236987 /nfs/dbraw/zinc/23/69/87/436236987.db2.gz CSKDTLSUUWWHAF-ZDUSSCGKSA-N 2 0 328.420 0.413 50 0 ECAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc4nonc43)C[C@@H]2CO)CC1 ZINC000091351043 436448305 /nfs/dbraw/zinc/44/83/05/436448305.db2.gz VBOABUNCMOABJV-HZPDHXFCSA-N 2 0 345.447 0.511 50 0 ECAARP COCCCNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000058167360 436620735 /nfs/dbraw/zinc/62/07/35/436620735.db2.gz UCFANWGMXSPBAA-UHFFFAOYSA-N 2 0 327.469 0.573 50 0 ECAARP CC[C@@H]1CN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000252474314 436832719 /nfs/dbraw/zinc/83/27/19/436832719.db2.gz AUDGEQSLMUPVLK-TXTZMMAHSA-N 2 0 343.512 0.234 50 0 ECAARP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000069017217 215352663 /nfs/dbraw/zinc/35/26/63/215352663.db2.gz XUIJTJGLSKCONL-KBPBESRZSA-N 2 0 338.452 0.359 50 0 ECAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ncnn1C)CC[NH+](C)CC2 ZINC000072447702 216237738 /nfs/dbraw/zinc/23/77/38/216237738.db2.gz XRLDVJISOAGZHS-HNNXBMFYSA-N 2 0 348.495 0.670 50 0 ECAARP Nc1nc2c(c(N3CCC([NH+]4CCSCC4)CC3)n1)CC[NH2+]CC2 ZINC000072469512 216248605 /nfs/dbraw/zinc/24/86/05/216248605.db2.gz JHBGOOBQSHSTRN-UHFFFAOYSA-N 2 0 348.520 0.765 50 0 ECAARP c1ccc(N2CC[NH+](CCN3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000244574860 243040425 /nfs/dbraw/zinc/04/04/25/243040425.db2.gz CSKARBPCSUTODP-HXUWFJFHSA-N 2 0 343.519 0.788 50 0 ECAARP NC(=O)CC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012386540 211365101 /nfs/dbraw/zinc/36/51/01/211365101.db2.gz AYMMLWFYHLPHRG-MRXNPFEDSA-N 2 0 335.448 0.877 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCS(=O)(=O)N(C)C)CC1 ZINC000069709419 287086087 /nfs/dbraw/zinc/08/60/87/287086087.db2.gz HFRDAEHHCDJZAG-CQSZACIVSA-N 2 0 335.514 0.293 50 0 ECAARP O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000069662269 435956264 /nfs/dbraw/zinc/95/62/64/435956264.db2.gz COACQWWJGJQCHU-OAHLLOKOSA-N 2 0 346.479 0.733 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nnnn2-c2ccccc2)CC1 ZINC000071870979 436020928 /nfs/dbraw/zinc/02/09/28/436020928.db2.gz WFQDFKCWSQUHIG-CQSZACIVSA-N 2 0 330.436 0.845 50 0 ECAARP Cc1cc(NCCC[N@@H+]2CCC[C@H](O)C2)nc(N2CCOCC2)[nH+]1 ZINC000065421274 436659241 /nfs/dbraw/zinc/65/92/41/436659241.db2.gz DPHDQHIYBUMCHX-HNNXBMFYSA-N 2 0 335.452 0.880 50 0 ECAARP CC[N@@H+]1CCC[C@H](NC(=O)c2nn(CCOC)c3c2C[NH2+]CC3)C1 ZINC000257191201 436858979 /nfs/dbraw/zinc/85/89/79/436858979.db2.gz PMTJDQLJHULVNG-ZDUSSCGKSA-N 2 0 335.452 0.389 50 0 ECAARP O=C(NCC[NH+]1CCCCCC1)C(=O)NCC[NH+]1CCCCCC1 ZINC000004833764 303772558 /nfs/dbraw/zinc/77/25/58/303772558.db2.gz NHLBVQWUFAIFDV-UHFFFAOYSA-N 2 0 338.496 0.971 50 0 ECAARP [NH3+]CCN(Cc1ccccc1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000184190729 545892293 /nfs/dbraw/zinc/89/22/93/545892293.db2.gz DTACLOCTJIDUBZ-UHFFFAOYSA-N 2 0 328.420 0.804 50 0 ECAARP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccn1CCN1CCOCC1 ZINC000864058820 590053141 /nfs/dbraw/zinc/05/31/41/590053141.db2.gz VVVQJOTYDQDIGH-HZPDHXFCSA-N 2 0 334.464 0.985 50 0 ECAARP C[C@@H]1CN(C(=O)c2cccn2CCN2CCOCC2)[C@@H](C)C[N@@H+]1C ZINC000864058817 590053401 /nfs/dbraw/zinc/05/34/01/590053401.db2.gz VVVQJOTYDQDIGH-CVEARBPZSA-N 2 0 334.464 0.985 50 0 ECAARP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3COCCN3)CC2)C[C@@H](C)O1 ZINC000237402094 436735069 /nfs/dbraw/zinc/73/50/69/436735069.db2.gz LNDIWMYCVZTQCV-BFYDXBDKSA-N 2 0 339.480 0.713 50 0 ECAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CC(N)=O)cc1OC ZINC000055107604 214273440 /nfs/dbraw/zinc/27/34/40/214273440.db2.gz YLMZYIUAZXTNSC-AWEZNQCLSA-N 2 0 339.436 0.352 50 0 ECAARP CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000067954610 215259234 /nfs/dbraw/zinc/25/92/34/215259234.db2.gz RDKFRGDQANPZSX-IRXDYDNUSA-N 2 0 344.459 0.540 50 0 ECAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000069350566 215384980 /nfs/dbraw/zinc/38/49/80/215384980.db2.gz PHZWPPSORKJXJP-CQSZACIVSA-N 2 0 348.513 0.089 50 0 ECAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)CC1 ZINC000072140520 216027685 /nfs/dbraw/zinc/02/76/85/216027685.db2.gz VTDPDEBKLHBDLZ-MRXNPFEDSA-N 3 0 343.475 0.770 50 0 ECAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000069658762 435956537 /nfs/dbraw/zinc/95/65/37/435956537.db2.gz XWCQHFWNFJLUBN-KBPBESRZSA-N 2 0 335.452 0.828 50 0 ECAARP O=C([C@@H]1CCCN1C1CC[NH2+]CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000215387216 436696323 /nfs/dbraw/zinc/69/63/23/436696323.db2.gz NRQYTTXMTCWGTJ-SFHVURJKSA-N 2 0 343.475 0.947 50 0 ECAARP C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[N@H+](C)CC3)cn2)CC1 ZINC000065446803 436662095 /nfs/dbraw/zinc/66/20/95/436662095.db2.gz IVNHXGMSQGLYSF-UHFFFAOYSA-N 2 0 346.479 0.681 50 0 ECAARP COCCn1nc(C(=O)N2CC[NH+](CC(C)C)CC2)c2c1CC[NH2+]C2 ZINC000253406669 436842233 /nfs/dbraw/zinc/84/22/33/436842233.db2.gz JCFCMWOFKZIFGB-UHFFFAOYSA-N 2 0 349.479 0.589 50 0 ECAARP C[N@@H+]1CCOC[C@@H](CNC(=O)c2cc(Cl)ccc2OCC[NH3+])C1 ZINC000426398983 438057428 /nfs/dbraw/zinc/05/74/28/438057428.db2.gz FRLDYXYAHMYCRC-LBPRGKRZSA-N 2 0 341.839 0.986 50 0 ECAARP CCCc1cnc(C)nc1N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O ZINC000426444587 438060670 /nfs/dbraw/zinc/06/06/70/438060670.db2.gz MEFCNXWWHPRNAU-HUUCEWRRSA-N 2 0 335.452 0.673 50 0 ECAARP [NH3+]CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072156596 216045034 /nfs/dbraw/zinc/04/50/34/216045034.db2.gz UVKGXNBYEFEFHZ-FSPWUOQZSA-N 2 0 329.400 0.763 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000229554190 242178614 /nfs/dbraw/zinc/17/86/14/242178614.db2.gz CKOXUYOBWGODAG-ZWOKBUDYSA-N 2 0 347.503 0.793 50 0 ECAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000095355873 218289440 /nfs/dbraw/zinc/28/94/40/218289440.db2.gz TVWMAWADHCXSKY-INIZCTEOSA-N 2 0 349.479 0.529 50 0 ECAARP O=C(CC[n+]1ccccc1)OCCOC(=O)CC[n+]1ccccc1 ZINC000004774981 435979569 /nfs/dbraw/zinc/97/95/69/435979569.db2.gz JDAXEHWVTWEECN-UHFFFAOYSA-N 2 0 330.384 0.828 50 0 ECAARP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077393181 436236239 /nfs/dbraw/zinc/23/62/39/436236239.db2.gz TUSHFGSCDKINJY-MSOLQXFVSA-N 2 0 331.460 0.876 50 0 ECAARP O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)[C@H]1C[NH2+]CCO1 ZINC000082166196 436363103 /nfs/dbraw/zinc/36/31/03/436363103.db2.gz DRGDBOKXEJVVJD-QGZVFWFLSA-N 2 0 347.463 0.636 50 0 ECAARP COc1c(C[NH2+]CCC(=O)N(C)C2CC[NH+](C)CC2)c(C)nn1C ZINC000058411966 436624985 /nfs/dbraw/zinc/62/49/85/436624985.db2.gz NQSDHNONBXFTGB-UHFFFAOYSA-N 2 0 337.468 0.769 50 0 ECAARP Cc1cccc(-c2noc(CN(C)C(=O)C34C[NH2+]CC3C[NH2+]C4)n2)c1 ZINC000065397953 436658550 /nfs/dbraw/zinc/65/85/50/436658550.db2.gz HLUXRFTXTJWXPW-UHFFFAOYSA-N 2 0 341.415 0.812 50 0 ECAARP CCn1c(CN2CC[NH+](CCSC)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000240163612 436757944 /nfs/dbraw/zinc/75/79/44/436757944.db2.gz JCICOLHQBFEFGP-OKILXGFUSA-N 2 0 338.525 0.983 50 0 ECAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000071920053 203150202 /nfs/dbraw/zinc/15/02/02/203150202.db2.gz GLLKWESWUYYWQO-UHFFFAOYSA-N 2 0 338.496 0.681 50 0 ECAARP [NH3+]CCn1cc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)nn1 ZINC000077323652 203379605 /nfs/dbraw/zinc/37/96/05/203379605.db2.gz AKNIXKAGDRUMGI-UHFFFAOYSA-N 2 0 338.481 0.327 50 0 ECAARP [NH3+]C[C@H](O)CC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082162171 436362597 /nfs/dbraw/zinc/36/25/97/436362597.db2.gz UOOHPFHUYIUVEO-QGZVFWFLSA-N 2 0 349.479 0.747 50 0 ECAARP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000091550823 436453136 /nfs/dbraw/zinc/45/31/36/436453136.db2.gz PCWRZLSNIUJCRY-IAGOWNOFSA-N 2 0 335.496 0.325 50 0 ECAARP CN(Cc1[nH]nc2c1CCCCC2)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000096137395 436515157 /nfs/dbraw/zinc/51/51/57/436515157.db2.gz WEDBIKKIKNLLHY-FZKQIMNGSA-N 2 0 331.464 0.788 50 0 ECAARP C[N@@H+]1CCN2CCN(C(=O)CC[NH+]3Cc4ccccc4C3)C[C@@H]2C1 ZINC000065470370 436662697 /nfs/dbraw/zinc/66/26/97/436662697.db2.gz GRDZGMOMOGATLL-SFHVURJKSA-N 2 0 328.460 0.851 50 0 ECAARP C[C@@H](C(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1)[NH+]1CCCC1 ZINC000584898199 439625838 /nfs/dbraw/zinc/62/58/38/439625838.db2.gz WZHUYVDTXQBMTB-INIZCTEOSA-N 2 0 338.496 0.072 50 0 ECAARP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H](F)C1C[NH2+]C1 ZINC000864091898 590055566 /nfs/dbraw/zinc/05/55/66/590055566.db2.gz IJEBWRGVJXLMNE-OAHLLOKOSA-N 2 0 327.444 0.943 50 0 ECAARP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000252585338 288146286 /nfs/dbraw/zinc/14/62/86/288146286.db2.gz HWEGKPQSVKSYDZ-QLFBSQMISA-N 2 0 326.485 0.956 50 0 ECAARP [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cccs3)CN2C1=O ZINC000014538476 436072233 /nfs/dbraw/zinc/07/22/33/436072233.db2.gz HYZNQSYMRHZNPP-UBHSHLNASA-N 2 0 336.461 0.435 50 0 ECAARP Cc1ccc(F)c(-n2nnnc2C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000075602816 436166207 /nfs/dbraw/zinc/16/62/07/436166207.db2.gz GHFCEEZMCVUILW-UHFFFAOYSA-N 2 0 348.426 0.904 50 0 ECAARP O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)N1CC[NH2+]CC1 ZINC000092003936 436464770 /nfs/dbraw/zinc/46/47/70/436464770.db2.gz LZAOQGIIKFBXTG-FUHWJXTLSA-N 2 0 343.475 0.410 50 0 ECAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)C[C@H]2C)C1 ZINC000089938999 436422135 /nfs/dbraw/zinc/42/21/35/436422135.db2.gz ADRWMNNXYAAYFH-HZPDHXFCSA-N 2 0 326.485 0.095 50 0 ECAARP CCn1nc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)c2ccccc21 ZINC000096138191 436515368 /nfs/dbraw/zinc/51/53/68/436515368.db2.gz YONVUCJPYBCTBY-FZKQIMNGSA-N 2 0 327.432 0.824 50 0 ECAARP Cc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)nc(N(C)C)[nH+]1 ZINC000095380823 436492210 /nfs/dbraw/zinc/49/22/10/436492210.db2.gz RXGIIXODHHHTDX-HUUCEWRRSA-N 2 0 349.479 0.352 50 0 ECAARP CNc1nc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc(C)[nH+]1 ZINC000095387667 436494715 /nfs/dbraw/zinc/49/47/15/436494715.db2.gz COYBEZMAEVSZOE-HZPDHXFCSA-N 2 0 349.479 0.576 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC000108163320 436616185 /nfs/dbraw/zinc/61/61/85/436616185.db2.gz BBHFAZNWGKEEPK-KKUMJFAQSA-N 2 0 338.452 0.979 50 0 ECAARP C[C@H](CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000065449879 436661476 /nfs/dbraw/zinc/66/14/76/436661476.db2.gz INLLJYPATXZYKN-CQSZACIVSA-N 2 0 334.468 0.583 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2csc(N3CCCC3)n2)C1 ZINC000065527839 436667291 /nfs/dbraw/zinc/66/72/91/436667291.db2.gz GQOULWLROYZHQN-MLGOLLRUSA-N 2 0 335.477 0.511 50 0 ECAARP C[C@@H]1C[N@@H+](C2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)CCO1 ZINC000237398075 436734412 /nfs/dbraw/zinc/73/44/12/436734412.db2.gz KTSKCZVTDMQWFZ-ZBFHGGJFSA-N 2 0 325.453 0.467 50 0 ECAARP [NH3+][C@@H](Cc1cc[nH]n1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000888097034 586349888 /nfs/dbraw/zinc/34/98/88/586349888.db2.gz ZFXZXSQDGGNAOL-INIZCTEOSA-N 2 0 349.479 0.678 50 0 ECAARP COCCN(Cc1cnn(C)c1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072127124 203164724 /nfs/dbraw/zinc/16/47/24/203164724.db2.gz AMERCTCEOHKBQR-OAHLLOKOSA-N 2 0 335.452 0.127 50 0 ECAARP CCCN1C[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(N)n3)CC2)CC1=O ZINC000095381448 203724051 /nfs/dbraw/zinc/72/40/51/203724051.db2.gz KWYSDUATXWIXEK-CQSZACIVSA-N 2 0 332.452 0.937 50 0 ECAARP O=C(C[NH2+]CC1CC[NH+](CCO)CC1)NCc1cc(F)cc(F)c1 ZINC000075602806 436165887 /nfs/dbraw/zinc/16/58/87/436165887.db2.gz QPQYMBLJHQQKPR-UHFFFAOYSA-N 2 0 341.402 0.875 50 0 ECAARP CN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000091620437 436455566 /nfs/dbraw/zinc/45/55/66/436455566.db2.gz UYWPDPIWIGVTQW-QZTJIDSGSA-N 2 0 347.507 0.435 50 0 ECAARP CC[NH+]1CCC(NC(=O)CN2CCN(CCOC)[C@@H](C)C2)CC1 ZINC000106786644 436601392 /nfs/dbraw/zinc/60/13/92/436601392.db2.gz NLSHXYRYRIYAJH-HNNXBMFYSA-N 2 0 326.485 0.239 50 0 ECAARP O=C(NCCc1csc(-c2cnccn2)n1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065498317 436664728 /nfs/dbraw/zinc/66/47/28/436664728.db2.gz CUWOOWRLSJCZLS-UHFFFAOYSA-N 2 0 344.444 0.068 50 0 ECAARP O=C([C@@H]1C[C@H]1C(=O)N1CC[NH+]2CCC[C@H]2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195000591 436676119 /nfs/dbraw/zinc/67/61/19/436676119.db2.gz NTIJIYURTBCPIK-YYIAUSFCSA-N 2 0 346.475 0.236 50 0 ECAARP [NH3+]Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H](O)C2)cc1 ZINC000097522769 545733190 /nfs/dbraw/zinc/73/31/90/545733190.db2.gz KVRMXCFRGFEAQL-QGZVFWFLSA-N 2 0 326.400 0.864 50 0 ECAARP C[NH+]1CCC(N2CCN(c3cc(C4CC(O)C4)[nH+]c(N)n3)CC2)CC1 ZINC000244734440 545935833 /nfs/dbraw/zinc/93/58/33/545935833.db2.gz NFNIQQMLVLUDNI-UHFFFAOYSA-N 2 0 346.479 0.513 50 0 ECAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C)c(=O)c1 ZINC000069534339 203015468 /nfs/dbraw/zinc/01/54/68/203015468.db2.gz SDJXGZWGQQGHCK-INIZCTEOSA-N 2 0 334.464 0.873 50 0 ECAARP C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069950545 203064622 /nfs/dbraw/zinc/06/46/22/203064622.db2.gz XJEYLWIVDHORNW-LLVKDONJSA-N 2 0 325.375 0.690 50 0 ECAARP C[NH+]1CCC(N(Cc2ccncc2)C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000072410875 203217152 /nfs/dbraw/zinc/21/71/52/203217152.db2.gz VLSAEJGPJXEEPC-KRWDZBQOSA-N 2 0 332.448 0.883 50 0 ECAARP O=C(NCc1cc2n(n1)CC[N@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2)C1CCC1 ZINC000299758469 258076014 /nfs/dbraw/zinc/07/60/14/258076014.db2.gz NHVMXPSGRIMDGQ-FVQHAEBGSA-N 2 0 329.448 0.580 50 0 ECAARP CC[NH+](CC)CCNC(=O)c1cnc(N2CC[NH+](CC)CC2)nc1C ZINC000021638387 436112930 /nfs/dbraw/zinc/11/29/30/436112930.db2.gz WVFGKVGHCJABRC-UHFFFAOYSA-N 2 0 348.495 0.999 50 0 ECAARP [NH3+][C@@H](CO)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091951554 436465677 /nfs/dbraw/zinc/46/56/77/436465677.db2.gz SXAUVTZDBYYVOH-INIZCTEOSA-N 2 0 335.452 0.357 50 0 ECAARP [NH3+][C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000178761518 437228773 /nfs/dbraw/zinc/22/87/73/437228773.db2.gz ISDISQNMYGTRTJ-QGZVFWFLSA-N 2 0 330.432 0.453 50 0 ECAARP CC[NH+]1CCC(NC(=O)C[NH2+]C[C@H]2CCCN2c2cccnn2)CC1 ZINC000084789051 545713928 /nfs/dbraw/zinc/71/39/28/545713928.db2.gz WTFDIWRNGKNGQL-MRXNPFEDSA-N 2 0 346.479 0.636 50 0 ECAARP Nc1nc(C2CC([NH3+])C2)cc(N2CCC([NH+]3CCC(O)CC3)CC2)n1 ZINC000219268731 241372660 /nfs/dbraw/zinc/37/26/60/241372660.db2.gz QSLIMRJOSKHORW-UHFFFAOYSA-N 2 0 346.479 0.689 50 0 ECAARP [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(C[NH3+])cc3)CC[C@H]21 ZINC000072453730 203226325 /nfs/dbraw/zinc/22/63/25/203226325.db2.gz MYWHXWJASPWHGC-DLBZAZTESA-N 2 0 344.459 0.947 50 0 ECAARP Cn1c(CN2CCOCC2)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000077524707 203394094 /nfs/dbraw/zinc/39/40/94/203394094.db2.gz INRCINNCECSVHL-UHFFFAOYSA-N 2 0 348.495 0.579 50 0 ECAARP COC(=O)c1c(OCC[NH+]2CCCCC2)cc(=O)n2c1CC[NH2+]CC2 ZINC000299777661 258087629 /nfs/dbraw/zinc/08/76/29/258087629.db2.gz OXDINATZNXMBKB-UHFFFAOYSA-N 2 0 349.431 0.645 50 0 ECAARP CCC[N@@H+]1CCCn2nc(CNC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)cc2C1 ZINC000082098671 436361348 /nfs/dbraw/zinc/36/13/48/436361348.db2.gz NXGNWQAPRIRWFQ-INIZCTEOSA-N 2 0 345.451 0.408 50 0 ECAARP CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(C)[nH+]c(N2CCCCC2)n1 ZINC000091518748 436452084 /nfs/dbraw/zinc/45/20/84/436452084.db2.gz HOEVHHAKSNXFRK-KGLIPLIRSA-N 2 0 332.452 0.817 50 0 ECAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC000091595007 436455235 /nfs/dbraw/zinc/45/52/35/436455235.db2.gz SBXQLDVBSRBEQS-MRXNPFEDSA-N 2 0 344.459 0.788 50 0 ECAARP O=C(NCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)c1ccncc1 ZINC000065372216 436656360 /nfs/dbraw/zinc/65/63/60/436656360.db2.gz LDTIFPZZLDQBRJ-SJLPKXTDSA-N 2 0 332.448 0.780 50 0 ECAARP CC(=O)NCC[NH2+]Cc1cn(CC[NH+]2CCSCC2)nc1C ZINC000065395731 436658420 /nfs/dbraw/zinc/65/84/20/436658420.db2.gz WNRQWNRMAQNRBQ-UHFFFAOYSA-N 2 0 325.482 0.466 50 0 ECAARP Cc1c(C(=O)N2CC[NH+](CC(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000236794356 436719615 /nfs/dbraw/zinc/71/96/15/436719615.db2.gz OWXNFXYKNCAWNC-UHFFFAOYSA-N 2 0 334.468 0.925 50 0 ECAARP [NH3+]CCOc1ccc(CC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000426472969 438060276 /nfs/dbraw/zinc/06/02/76/438060276.db2.gz QFFJFTXVJQCXMQ-UHFFFAOYSA-N 2 0 347.459 0.890 50 0 ECAARP Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000244858399 545935596 /nfs/dbraw/zinc/93/55/96/545935596.db2.gz VKLDBEVMFZXSMQ-BETUJISGSA-N 2 0 325.420 0.985 50 0 ECAARP C[NH+]1CCC(n2nc(C3CCOCC3)nc2C[C@@H]2C[NH2+]CCO2)CC1 ZINC000097694778 219048418 /nfs/dbraw/zinc/04/84/18/219048418.db2.gz BAGXVCYAPGRIHK-MRXNPFEDSA-N 2 0 349.479 0.970 50 0 ECAARP COc1cccc(CN2CC[N@H+](C)[C@@H](CO)C2)c1OCC[NH+](C)C ZINC000216193960 241172277 /nfs/dbraw/zinc/17/22/77/241172277.db2.gz HPKTVGCQYFMYLP-MRXNPFEDSA-N 2 0 337.464 0.744 50 0 ECAARP COCCN(Cc1nccs1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072151382 203173708 /nfs/dbraw/zinc/17/37/08/203173708.db2.gz NEJLFDGGRWCEMH-CYBMUJFWSA-N 2 0 338.477 0.850 50 0 ECAARP Cc1cccc(N2CCN(C(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CC2)n1 ZINC000072168169 203181400 /nfs/dbraw/zinc/18/14/00/203181400.db2.gz STLAWTNEZRECNA-MRXNPFEDSA-N 2 0 343.475 0.770 50 0 ECAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCCn1cncn1)CC[NH+](C)CC2 ZINC000072407910 203216302 /nfs/dbraw/zinc/21/63/02/203216302.db2.gz WCIAOGWBDOKFRI-INIZCTEOSA-N 2 0 348.495 0.981 50 0 ECAARP OC[C@H]1CCC[N@H+](CCn2ccnc2-c2cc3n(n2)CC[NH2+]C3)C1 ZINC000072440085 203224141 /nfs/dbraw/zinc/22/41/41/203224141.db2.gz QWKPHNNNVVNINI-AWEZNQCLSA-N 2 0 330.436 0.554 50 0 ECAARP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)CCC1 ZINC000072433112 295201893 /nfs/dbraw/zinc/20/18/93/295201893.db2.gz JVFMMLPKKSCFGA-JKSUJKDBSA-N 2 0 348.491 0.707 50 0 ECAARP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@H+](CC3CCCCC3)CCN2C1=O ZINC000014747295 436077467 /nfs/dbraw/zinc/07/74/67/436077467.db2.gz PTJNRLDPCYMLJZ-JKSUJKDBSA-N 2 0 336.480 0.707 50 0 ECAARP CCCN1C[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(N)n3)CC2)CC1=O ZINC000095381449 436492518 /nfs/dbraw/zinc/49/25/18/436492518.db2.gz KWYSDUATXWIXEK-AWEZNQCLSA-N 2 0 332.452 0.937 50 0 ECAARP COc1ccc(C)cc1NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000065387682 436658293 /nfs/dbraw/zinc/65/82/93/436658293.db2.gz PMISFWVTVBMEEY-FZKQIMNGSA-N 2 0 346.431 0.210 50 0 ECAARP C[N@@H+]1CCCN(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000223675165 436706879 /nfs/dbraw/zinc/70/68/79/436706879.db2.gz VUYVALGWDUMIEU-UHFFFAOYSA-N 2 0 345.491 0.800 50 0 ECAARP Cc1nn(CC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1CN1CC[NH+](C)CC1 ZINC000065435890 436662217 /nfs/dbraw/zinc/66/22/17/436662217.db2.gz WFQRNMHEEDADHA-MRXNPFEDSA-N 2 0 348.495 0.136 50 0 ECAARP COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[NH+]2CCCC2)c1 ZINC000237313652 436731761 /nfs/dbraw/zinc/73/17/61/436731761.db2.gz BKJZKPUCFGDAPC-PVAVHDDUSA-N 2 0 333.432 0.671 50 0 ECAARP C[NH+]1CCC(O)(CNC(=O)c2cc(F)ccc2OCC[NH3+])CC1 ZINC000426677714 438069747 /nfs/dbraw/zinc/06/97/47/438069747.db2.gz ACLOCXLVUSCDOR-UHFFFAOYSA-N 2 0 325.384 0.350 50 0 ECAARP CN(C)C(=O)NCc1cc2n(n1)CC[N@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244659756 545934477 /nfs/dbraw/zinc/93/44/77/545934477.db2.gz HICYPVNWQMSVDZ-OKILXGFUSA-N 2 0 334.468 0.987 50 0 ECAARP Cc1nnc2n1C[C@H](C[NH+](C)C)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC000685943375 549729450 /nfs/dbraw/zinc/72/94/50/549729450.db2.gz VSUUTNNVGKPPFL-HNNXBMFYSA-N 2 0 339.403 0.820 50 0 ECAARP NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(C(N)=O)cc2)cc1 ZINC000951726552 612514729 /nfs/dbraw/zinc/51/47/29/612514729.db2.gz AYRZCHHSUMNJBQ-UHFFFAOYSA-P 2 0 348.406 0.556 50 0 ECAARP O=C(NCc1nnnn1-c1ccccc1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072158026 203175825 /nfs/dbraw/zinc/17/58/25/203175825.db2.gz VLNDEBJVXAFRAI-CQSZACIVSA-N 2 0 341.419 0.010 50 0 ECAARP C[NH+](C)[C@H]1CN(C(=O)c2ccc(OCCC[NH3+])c(Cl)c2)C[C@@H]1O ZINC000299801744 258104986 /nfs/dbraw/zinc/10/49/86/258104986.db2.gz YSSFWVKWRFHGFI-KBPBESRZSA-N 2 0 341.839 0.815 50 0 ECAARP C[NH+]1CCN(C[C@@H]2C[N@@H+](C3Cc4ccccc4C3)C[C@@H]2CO)CC1 ZINC000095358293 277107725 /nfs/dbraw/zinc/10/77/25/277107725.db2.gz VLYFBMBCWRUMJK-RTBURBONSA-N 2 0 329.488 0.942 50 0 ECAARP CC[NH+]1CCN(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000344745119 298060372 /nfs/dbraw/zinc/06/03/72/298060372.db2.gz YKNYSORHXGLLBS-UHFFFAOYSA-N 2 0 330.476 0.798 50 0 ECAARP Cc1nc(-c2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3C[N@@H+](C)C4)cc2)no1 ZINC000065365957 436655223 /nfs/dbraw/zinc/65/52/23/436655223.db2.gz PMMBQWGGZXRIGI-CRAIPNDOSA-N 2 0 341.415 0.812 50 0 ECAARP [NH3+]CCOc1ccc(CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000426477223 438060973 /nfs/dbraw/zinc/06/09/73/438060973.db2.gz MTLNPWXWGITIIH-ROUUACIJSA-N 2 0 347.459 0.936 50 0 ECAARP COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H](O)C2)c(OCC[NH3+])c1 ZINC000426618347 438068554 /nfs/dbraw/zinc/06/85/54/438068554.db2.gz OAQFYUHPVIDIDE-GJZGRUSLSA-N 2 0 337.420 0.170 50 0 ECAARP CCCC[N@H+](CCO)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000070947696 203084178 /nfs/dbraw/zinc/08/41/78/203084178.db2.gz MHDDAABANUVBRU-INIZCTEOSA-N 2 0 329.485 0.554 50 0 ECAARP C[N@@H+]1CCC[C@@H](CN2CCN(Cc3cc4n(n3)CC[NH2+]C4)CC2)C1 ZINC000072167379 203180133 /nfs/dbraw/zinc/18/01/33/203180133.db2.gz ARHRKWBZRFTZNZ-MRXNPFEDSA-N 2 0 332.496 0.446 50 0 ECAARP CC[NH+]1CCC([NH2+]CC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000077420275 203386987 /nfs/dbraw/zinc/38/69/87/203386987.db2.gz NAGYSMPVWXGBGU-KRWDZBQOSA-N 2 0 349.479 0.450 50 0 ECAARP CC(C)C[N@H+](C)CCN1CC2(CC[NH+](C[C@@H](O)CO)CC2)OC1=O ZINC000072406787 277374272 /nfs/dbraw/zinc/37/42/72/277374272.db2.gz LFEJZBAWSLJLDI-OAHLLOKOSA-N 2 0 343.468 0.214 50 0 ECAARP Cc1c(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cnn1C ZINC000091831140 436460184 /nfs/dbraw/zinc/46/01/84/436460184.db2.gz GIDZYEUTDPLBDN-QZTJIDSGSA-N 2 0 335.496 0.406 50 0 ECAARP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000245338830 436760067 /nfs/dbraw/zinc/76/00/67/436760067.db2.gz OTXJEPWTUGLFNW-HOTGVXAUSA-N 2 0 325.501 0.606 50 0 ECAARP CC(C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262713390 535056050 /nfs/dbraw/zinc/05/60/50/535056050.db2.gz SHAMZDCPSPTIPA-IRXDYDNUSA-N 2 0 346.475 0.983 50 0 ECAARP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1CCOC1 ZINC000685940608 549727111 /nfs/dbraw/zinc/72/71/11/549727111.db2.gz PRIJUFIEQGZAHT-OAGGEKHMSA-N 3 0 326.485 0.307 50 0 ECAARP C[C@H]1C[NH+](CCC2CC[NH+](CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490165 290842241 /nfs/dbraw/zinc/84/22/41/290842241.db2.gz GTCJHNKNRYMVKP-GJZGRUSLSA-N 2 0 347.525 0.747 50 0 ECAARP CCc1c(C)nn(CCNC(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c1C ZINC000072133288 216022578 /nfs/dbraw/zinc/02/25/78/216022578.db2.gz GISAJCWPMKYDDB-MRXNPFEDSA-N 2 0 333.480 0.910 50 0 ECAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCCn1cncn1)CC[NH+](C)CC2 ZINC000072407909 216199131 /nfs/dbraw/zinc/19/91/31/216199131.db2.gz WCIAOGWBDOKFRI-MRXNPFEDSA-N 2 0 348.495 0.981 50 0 ECAARP CS(=O)(=O)c1cnc(N2CCC([NH3+])CC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072430065 216221896 /nfs/dbraw/zinc/22/18/96/216221896.db2.gz GFBOMFFOIFPBRG-NSHDSACASA-N 2 0 339.465 0.275 50 0 ECAARP O[C@H]1CCC[N@H+](CCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)C1 ZINC000072476020 216253767 /nfs/dbraw/zinc/25/37/67/216253767.db2.gz DSLGLVAQAZXBIY-AWEZNQCLSA-N 2 0 331.464 0.911 50 0 ECAARP CCc1cc(N2C[C@H](NC(=O)C[NH2+]C)[C@@H](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000091493980 218014548 /nfs/dbraw/zinc/01/45/48/218014548.db2.gz WPXPHDBOQRNUNB-CABCVRRESA-N 2 0 346.479 0.655 50 0 ECAARP Cc1nccn1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065491704 436665015 /nfs/dbraw/zinc/66/50/15/436665015.db2.gz JHEWMEBHFXGTMM-CRAIPNDOSA-N 2 0 331.464 0.772 50 0 ECAARP C[NH+]1CCC(N2CCC[C@H]2C(=O)NCc2cn3cccnc3n2)CC1 ZINC000426690724 438071118 /nfs/dbraw/zinc/07/11/18/438071118.db2.gz RPJAZJXWEBVJLA-INIZCTEOSA-N 2 0 342.447 0.904 50 0 ECAARP Cn1c(Cn2cncn2)nnc1C1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000101999532 219180148 /nfs/dbraw/zinc/18/01/48/219180148.db2.gz GLGCOLXNJPOTBJ-FICVDOATSA-N 2 0 342.451 0.100 50 0 ECAARP O=C(NCCNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000072163425 216052202 /nfs/dbraw/zinc/05/22/02/216052202.db2.gz OJQIMMXMERQZJK-OAHLLOKOSA-N 2 0 348.422 0.403 50 0 ECAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000091548046 218020735 /nfs/dbraw/zinc/02/07/35/218020735.db2.gz XERRTJUEOGKHQR-OAHLLOKOSA-N 2 0 335.452 0.139 50 0 ECAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCS(=O)(=O)N(C)C)CC1 ZINC000069709415 435960286 /nfs/dbraw/zinc/96/02/86/435960286.db2.gz HFRDAEHHCDJZAG-AWEZNQCLSA-N 2 0 335.514 0.293 50 0 ECAARP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000074171073 436112229 /nfs/dbraw/zinc/11/22/29/436112229.db2.gz OTXJEPWTUGLFNW-HZPDHXFCSA-N 2 0 325.501 0.606 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCCN(Cc3ccccn3)CC2)C1 ZINC000096140601 436515031 /nfs/dbraw/zinc/51/50/31/436515031.db2.gz KHEMKAWGHRBMLW-VQIMIIECSA-N 2 0 343.475 0.267 50 0 ECAARP CS(=O)(=O)N1CCC([NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063835494 436646731 /nfs/dbraw/zinc/64/67/31/436646731.db2.gz ZYZPJDQTEGUERK-HZPDHXFCSA-N 2 0 345.509 0.379 50 0 ECAARP [NH3+]C[C@H]1CN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)CCO1 ZINC000065405187 436659668 /nfs/dbraw/zinc/65/96/68/436659668.db2.gz KLXNLTCWYNZWLZ-AWEZNQCLSA-N 2 0 340.431 0.391 50 0 ECAARP C[NH+](C)Cc1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000253416096 436844580 /nfs/dbraw/zinc/84/45/80/436844580.db2.gz YNRSBJQCKKRZGT-UHFFFAOYSA-N 2 0 340.493 0.322 50 0 ECAARP C[C@@H]1C[NH+](CCC2CC[NH+](CCNS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000177490180 437188140 /nfs/dbraw/zinc/18/81/40/437188140.db2.gz GTCJHNKNRYMVKP-HUUCEWRRSA-N 2 0 347.525 0.747 50 0 ECAARP CC(C)C[C@H](NC(=O)C1CC[NH2+]CC1)c1nnc2n1CC[NH2+]CC2 ZINC000067654306 215175090 /nfs/dbraw/zinc/17/50/90/215175090.db2.gz VTPVNQLQMYWJSD-AWEZNQCLSA-N 2 0 334.468 0.627 50 0 ECAARP O=C(NCc1[nH]nc2c1CCC2)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000067935186 215253938 /nfs/dbraw/zinc/25/39/38/215253938.db2.gz HJTLTERPUPOFAF-BFUOFWGJSA-N 2 0 343.475 0.979 50 0 ECAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000069350567 215384974 /nfs/dbraw/zinc/38/49/74/215384974.db2.gz PHZWPPSORKJXJP-AWEZNQCLSA-N 2 0 348.513 0.089 50 0 ECAARP Cc1cc(N2CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)nc(N)[nH+]1 ZINC000072148450 216035628 /nfs/dbraw/zinc/03/56/28/216035628.db2.gz QCXAGSZYQHMQMR-UHFFFAOYSA-N 2 0 342.451 0.379 50 0 ECAARP c1ccn(CC[NH+]2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)c1 ZINC000072475500 216252692 /nfs/dbraw/zinc/25/26/92/216252692.db2.gz HXPHYZJASYUOMM-UHFFFAOYSA-N 2 0 326.448 0.789 50 0 ECAARP Cn1cnnc1C1CCN(C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)CC1 ZINC000072475663 216253125 /nfs/dbraw/zinc/25/31/25/216253125.db2.gz BHNALHNTKFAEHM-HNNXBMFYSA-N 2 0 346.479 0.595 50 0 ECAARP CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1C[NH2+]CC2 ZINC000257182700 244079913 /nfs/dbraw/zinc/07/99/13/244079913.db2.gz GTXUJBAMBIMZOA-ZDUSSCGKSA-N 2 0 335.452 0.389 50 0 ECAARP Cc1c[nH+]ccc1N1CCCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000222787737 279027223 /nfs/dbraw/zinc/02/72/23/279027223.db2.gz OAEOYBIUOHMRBF-MRXNPFEDSA-N 2 0 332.448 0.885 50 0 ECAARP Cc1nnc2n1CCN(C(=O)[C@@H]1CC3(C[N@H+]1C)CC[NH2+]CC3)CC2 ZINC000072417858 436045414 /nfs/dbraw/zinc/04/54/14/436045414.db2.gz MITOVCZZTQRKKH-AWEZNQCLSA-N 2 0 332.452 0.045 50 0 ECAARP C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@H+](C)C1CC1 ZINC000079111335 436290294 /nfs/dbraw/zinc/29/02/94/436290294.db2.gz WCFNGSZUROFRGV-LBPRGKRZSA-N 2 0 342.403 0.805 50 0 ECAARP c1cn(CCC[NH+]2CCOCC2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000082133497 436361627 /nfs/dbraw/zinc/36/16/27/436361627.db2.gz ACKZIUMMZYMVTN-UHFFFAOYSA-N 2 0 345.451 0.788 50 0 ECAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)C[C@@H]2C)C1 ZINC000089939001 436420818 /nfs/dbraw/zinc/42/08/18/436420818.db2.gz ADRWMNNXYAAYFH-JKSUJKDBSA-N 2 0 326.485 0.095 50 0 ECAARP Cc1nc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)sc1Cl ZINC000096141672 436515056 /nfs/dbraw/zinc/51/50/56/436515056.db2.gz CQLQVLFUBRWNDV-QMTHXVAHSA-N 2 0 328.869 0.915 50 0 ECAARP Cc1nccn1-c1ccc(CNC(=O)C23C[NH2+]CC2C[NH2+]C3)cc1 ZINC000096179876 436519592 /nfs/dbraw/zinc/51/95/92/436519592.db2.gz HOKVMRLQXQXLJF-UHFFFAOYSA-N 2 0 325.416 0.606 50 0 ECAARP C[NH+](C)CCC[NH2+]CCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000095481712 436495390 /nfs/dbraw/zinc/49/53/90/436495390.db2.gz LKBBEUSXRLAZBL-UHFFFAOYSA-N 2 0 331.420 0.584 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000106869161 436603244 /nfs/dbraw/zinc/60/32/44/436603244.db2.gz PGLSRJXKJRPVCP-AOIWGVFYSA-N 2 0 335.492 0.866 50 0 ECAARP Cc1cc(=O)[nH]c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)C3)n1 ZINC000065406348 436660014 /nfs/dbraw/zinc/66/00/14/436660014.db2.gz OGTRXILTQMUMSY-FZKQIMNGSA-N 2 0 345.447 0.159 50 0 ECAARP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000177490147 437187861 /nfs/dbraw/zinc/18/78/61/437187861.db2.gz GTCJHNKNRYMVKP-GASCZTMLSA-N 2 0 347.525 0.747 50 0 ECAARP C[NH+](C)CCN1C[C@@H](c2nc(CC3CC[NH+](C)CC3)no2)CC1=O ZINC000096165985 282102013 /nfs/dbraw/zinc/10/20/13/282102013.db2.gz JMRCMFZZJHTCPK-AWEZNQCLSA-N 2 0 335.452 0.831 50 0 ECAARP Cn1c(Cn2cccn2)nnc1C1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102663467 219219838 /nfs/dbraw/zinc/21/98/38/219219838.db2.gz GOWPSFFSNXYBRJ-ZSHCYNCHSA-N 2 0 341.463 0.705 50 0 ECAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2CCOCC2)CC1 ZINC000069820308 215598192 /nfs/dbraw/zinc/59/81/92/215598192.db2.gz MIILLBTYVNQRNY-AWEZNQCLSA-N 2 0 327.469 0.306 50 0 ECAARP COCCNc1nc2c(c(N3CC[NH+]4CCC3CC4)n1)CC[NH2+]CC2 ZINC000072431065 216224238 /nfs/dbraw/zinc/22/42/38/216224238.db2.gz UYJIOARFCZPCAY-UHFFFAOYSA-N 2 0 346.479 0.508 50 0 ECAARP C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000262555016 165362072 /nfs/dbraw/zinc/36/20/72/165362072.db2.gz WNVMRURBLMEIRT-IMJJTQAJSA-N 2 0 332.448 0.636 50 0 ECAARP [NH3+]CCn1cc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)nn1 ZINC000077515817 436240141 /nfs/dbraw/zinc/24/01/41/436240141.db2.gz DLUDGKXBNNKCTI-UHFFFAOYSA-N 2 0 342.447 0.846 50 0 ECAARP C[C@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@H+](C)C1CC1 ZINC000079111337 436292167 /nfs/dbraw/zinc/29/21/67/436292167.db2.gz WCFNGSZUROFRGV-GFCCVEGCSA-N 2 0 342.403 0.805 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000106869160 436604459 /nfs/dbraw/zinc/60/44/59/436604459.db2.gz PGLSRJXKJRPVCP-ZIFCJYIRSA-N 2 0 335.492 0.866 50 0 ECAARP C[C@H]1C[N@@H+](C2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)CCO1 ZINC000237600935 436739534 /nfs/dbraw/zinc/73/95/34/436739534.db2.gz KTSKCZVTDMQWFZ-HOCLYGCPSA-N 2 0 325.453 0.467 50 0 ECAARP COc1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)ccc1OCC[NH3+] ZINC000426405822 438056082 /nfs/dbraw/zinc/05/60/82/438056082.db2.gz WJFOMJSQKAFXQW-GJZGRUSLSA-N 2 0 349.431 0.626 50 0 ECAARP CN(C)[C@@H](CNc1c(=O)c(=O)c1NCC[NH+](C)C)c1ccccc1 ZINC000101694066 219157330 /nfs/dbraw/zinc/15/73/30/219157330.db2.gz JFLKARPJYLORBG-AWEZNQCLSA-N 2 0 330.432 0.971 50 0 ECAARP CS(=O)(=O)N1CCO[C@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067654211 215174868 /nfs/dbraw/zinc/17/48/68/215174868.db2.gz KCUFUOBBLLZRBW-OAHLLOKOSA-N 2 0 345.509 0.549 50 0 ECAARP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000067774974 215210423 /nfs/dbraw/zinc/21/04/23/215210423.db2.gz GOYOVFQNGJGXGF-ZFWWWQNUSA-N 2 0 348.447 0.942 50 0 ECAARP Cc1cc[nH+]c(NCCNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000067884843 215240752 /nfs/dbraw/zinc/24/07/52/215240752.db2.gz CVIZCUICMIFYTK-AWEZNQCLSA-N 2 0 343.435 0.823 50 0 ECAARP NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072129624 216021268 /nfs/dbraw/zinc/02/12/68/216021268.db2.gz ZRPXRWCOUVJCKJ-UHFFFAOYSA-N 2 0 346.479 0.292 50 0 ECAARP OCC[NH+]1CCC(C[NH2+]CCCc2nnnn2-c2ccccc2)CC1 ZINC000069951054 435979614 /nfs/dbraw/zinc/97/96/14/435979614.db2.gz CYUOROKFQFLRQZ-UHFFFAOYSA-N 2 0 344.463 0.889 50 0 ECAARP Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+](C)C)c1 ZINC000045966598 436380902 /nfs/dbraw/zinc/38/09/02/436380902.db2.gz RRRSDXZEZITPNX-UHFFFAOYSA-N 2 0 346.475 0.821 50 0 ECAARP COc1ccc(F)c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)c1F ZINC000096139579 436515468 /nfs/dbraw/zinc/51/54/68/436515468.db2.gz DHUUWXDEJKNMHY-QLJPJBMISA-N 2 0 325.359 0.741 50 0 ECAARP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)C[C@@H]2C)C1 ZINC000107581057 436613819 /nfs/dbraw/zinc/61/38/19/436613819.db2.gz ADRWMNNXYAAYFH-HOTGVXAUSA-N 2 0 326.485 0.095 50 0 ECAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)CC1 ZINC000065397464 436657986 /nfs/dbraw/zinc/65/79/86/436657986.db2.gz IASKGXKSZUSNDG-CRAIPNDOSA-N 3 0 329.448 0.190 50 0 ECAARP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1CCOC1 ZINC000685940605 549726937 /nfs/dbraw/zinc/72/69/37/549726937.db2.gz PRIJUFIEQGZAHT-JYJNAYRXSA-N 3 0 326.485 0.307 50 0 ECAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)[C@H]1CCC[NH+](CC(N)=O)C1 ZINC000091595009 218029588 /nfs/dbraw/zinc/02/95/88/218029588.db2.gz SBXQLDVBSRBEQS-INIZCTEOSA-N 2 0 344.459 0.788 50 0 ECAARP C[NH+](C)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+]CC1 ZINC000095202022 218282784 /nfs/dbraw/zinc/28/27/84/218282784.db2.gz CDZDEHVWAXDQAQ-ZDUSSCGKSA-N 2 0 328.457 0.653 50 0 ECAARP COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[NH+]2CCCC2)c1 ZINC000299746855 258008712 /nfs/dbraw/zinc/00/87/12/258008712.db2.gz BKJZKPUCFGDAPC-XIRDDKMYSA-N 2 0 333.432 0.671 50 0 ECAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000082146037 436363808 /nfs/dbraw/zinc/36/38/08/436363808.db2.gz WKDHIJYRGFMKMK-INIZCTEOSA-N 2 0 335.452 0.349 50 0 ECAARP Cc1cc(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)nc(N)[nH+]1 ZINC000091289578 436449071 /nfs/dbraw/zinc/44/90/71/436449071.db2.gz RXZCIHXJKAIAQB-HUUCEWRRSA-N 2 0 334.468 0.049 50 0 ECAARP CN(Cc1cnc2ccccc2n1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000096161789 436518124 /nfs/dbraw/zinc/51/81/24/436518124.db2.gz BGUNGVLDXNVQGL-FZKQIMNGSA-N 2 0 325.416 0.739 50 0 ECAARP O[C@]12CC[NH2+]C[C@H]1CN(CC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000252481563 436834706 /nfs/dbraw/zinc/83/47/06/436834706.db2.gz COEPRUYNCDMVNU-ICSRJNTNSA-N 2 0 344.503 0.855 50 0 ECAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072410473 216202182 /nfs/dbraw/zinc/20/21/82/216202182.db2.gz ACISODIMLKRAJK-ZDUSSCGKSA-N 2 0 337.493 0.848 50 0 ECAARP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)CCc2nc(N)n[nH]2)CC1 ZINC000072477679 216255737 /nfs/dbraw/zinc/25/57/37/216255737.db2.gz IKNJMKZEVAHGHH-KGLIPLIRSA-N 2 0 349.483 0.431 50 0 ECAARP C[n+]1ccc(C(=O)NCCCCNC(=O)c2cc[n+](C)cc2)cc1 ZINC000020293496 212116580 /nfs/dbraw/zinc/11/65/80/212116580.db2.gz BEDQWQYTIWAWEW-UHFFFAOYSA-P 2 0 328.416 0.276 50 0 ECAARP CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC[NH+]1CCCC1 ZINC000012002054 211277911 /nfs/dbraw/zinc/27/79/11/211277911.db2.gz NKVZTRZSLWIMCI-MRXNPFEDSA-N 2 0 338.496 0.777 50 0 ECAARP CCn1cc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cn1 ZINC000091706775 218051971 /nfs/dbraw/zinc/05/19/71/218051971.db2.gz CSLCLMDYLHMCJT-QZTJIDSGSA-N 2 0 335.496 0.581 50 0 ECAARP CC(C)[C@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CCC[N@@H+]1CC1CC1 ZINC000071764375 436009579 /nfs/dbraw/zinc/00/95/79/436009579.db2.gz CZXIPFKPMRABEJ-MRXNPFEDSA-N 2 0 334.468 0.819 50 0 ECAARP [NH3+]C[C@@H](O)CC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082162168 436362879 /nfs/dbraw/zinc/36/28/79/436362879.db2.gz UOOHPFHUYIUVEO-KRWDZBQOSA-N 2 0 349.479 0.747 50 0 ECAARP Cc1cc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)nc(N2CCCC2)[nH+]1 ZINC000092046694 436467475 /nfs/dbraw/zinc/46/74/75/436467475.db2.gz KUBKWXCITHFKHH-HZPDHXFCSA-N 2 0 349.479 0.354 50 0 ECAARP Cc1cc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc(N(C)C)[nH+]1 ZINC000095523573 436499196 /nfs/dbraw/zinc/49/91/96/436499196.db2.gz CTLMQBPYGPQXSF-GASCZTMLSA-N 3 0 330.480 0.971 50 0 ECAARP CCc1nc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)C3)no1 ZINC000065382952 436655578 /nfs/dbraw/zinc/65/55/78/436655578.db2.gz JSDYBQXEPXYIHK-FZKQIMNGSA-N 2 0 347.463 0.755 50 0 ECAARP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000241693926 436758832 /nfs/dbraw/zinc/75/88/32/436758832.db2.gz QIWGSAFCLKQBPN-KSZLIROESA-N 2 0 327.513 0.856 50 0 ECAARP C[N@@H+]1CCN2CCN(C(=O)CC[NH+]3Cc4ccccc4C3)C[C@H]2C1 ZINC000244646902 545934820 /nfs/dbraw/zinc/93/48/20/545934820.db2.gz GRDZGMOMOGATLL-GOSISDBHSA-N 2 0 328.460 0.851 50 0 ECAARP CS(=O)(=O)N1CCO[C@@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067654212 215176256 /nfs/dbraw/zinc/17/62/56/215176256.db2.gz KCUFUOBBLLZRBW-HNNXBMFYSA-N 2 0 345.509 0.549 50 0 ECAARP CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000067691550 215185557 /nfs/dbraw/zinc/18/55/57/215185557.db2.gz ATZSZPTZKOVEAU-HIFRSBDPSA-N 2 0 348.447 0.799 50 0 ECAARP O[C@@H]1CCC[N@H+](CCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)C1 ZINC000072476021 216254405 /nfs/dbraw/zinc/25/44/05/216254405.db2.gz DSLGLVAQAZXBIY-CQSZACIVSA-N 2 0 331.464 0.911 50 0 ECAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC000095353606 218287334 /nfs/dbraw/zinc/28/73/34/218287334.db2.gz MOZBDTSQHNSNGN-OAHLLOKOSA-N 2 0 337.468 0.251 50 0 ECAARP CNc1cc(C)[nH+]c(N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000091269585 436448175 /nfs/dbraw/zinc/44/81/75/436448175.db2.gz XIZWEAMDVCYAKT-QKPAOTATSA-N 2 0 349.479 0.981 50 0 ECAARP O=C(N1CCC(Cc2noc(C3CC3)n2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096180640 436519695 /nfs/dbraw/zinc/51/96/95/436519695.db2.gz QLTDGKFJPCMQGL-UHFFFAOYSA-N 2 0 345.447 0.537 50 0 ECAARP CC(=O)N1CC[NH+](CCCCCC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC000096404245 436530957 /nfs/dbraw/zinc/53/09/57/436530957.db2.gz MGKRDECBXANXRH-UHFFFAOYSA-N 2 0 338.496 0.875 50 0 ECAARP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000230477120 436716234 /nfs/dbraw/zinc/71/62/34/436716234.db2.gz HWEGKPQSVKSYDZ-KFWWJZLASA-N 2 0 326.485 0.956 50 0 ECAARP C[N@@H+]1CCOC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000584896494 439626223 /nfs/dbraw/zinc/62/62/23/439626223.db2.gz BDPKNGRCZBQQGX-HNNXBMFYSA-N 2 0 333.436 0.491 50 0 ECAARP Cc1cc(C)n2nc(Cc3nn4c(nc(C)cc4C)[n+]3C)[n+](C)c2n1 ZINC000003885171 210084016 /nfs/dbraw/zinc/08/40/16/210084016.db2.gz WBKOCJLGAKLZPA-UHFFFAOYSA-N 2 0 338.419 0.245 50 0 ECAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCNC(=O)c1cccnc1)CC[NH2+]CC2 ZINC000072430909 216223327 /nfs/dbraw/zinc/22/33/27/216223327.db2.gz NFGPQWCTXIEHOR-OAHLLOKOSA-N 2 0 345.447 0.002 50 0 ECAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C)c(=O)c1 ZINC000069534336 436780043 /nfs/dbraw/zinc/78/00/43/436780043.db2.gz SDJXGZWGQQGHCK-MRXNPFEDSA-N 2 0 334.464 0.873 50 0 ECAARP CC[NH+]1CCC(NC(=O)C[NH2+]C[C@@H]2CCCN2c2cccnn2)CC1 ZINC000084789050 545712947 /nfs/dbraw/zinc/71/29/47/545712947.db2.gz WTFDIWRNGKNGQL-INIZCTEOSA-N 2 0 346.479 0.636 50 0 ECAARP CCOCc1nc2c(c(N3CC[N@@H+]4CCC[C@H]4C3)n1)CC[NH2+]CC2 ZINC000243956985 545934368 /nfs/dbraw/zinc/93/43/68/545934368.db2.gz CFFOFVKPDHZWPW-AWEZNQCLSA-N 2 0 331.464 0.986 50 0 ECAARP NC(=O)C[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000055244359 214294183 /nfs/dbraw/zinc/29/41/83/214294183.db2.gz CWIUDDKJXPJOAN-MRXNPFEDSA-N 2 0 335.448 0.877 50 0 ECAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000069329288 215379856 /nfs/dbraw/zinc/37/98/56/215379856.db2.gz DFCSGMBAYGEJGS-HNNXBMFYSA-N 2 0 349.479 0.496 50 0 ECAARP Cn1c(CCNC(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)nc2ccccc21 ZINC000072145717 216032107 /nfs/dbraw/zinc/03/21/07/216032107.db2.gz JBKFBJJWVJCRPE-OAHLLOKOSA-N 2 0 341.459 0.964 50 0 ECAARP COCc1nc(NCC2CC[NH+](CCO)CC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244708281 243062461 /nfs/dbraw/zinc/06/24/61/243062461.db2.gz KQXQLTMQGQQUNL-GASCZTMLSA-N 2 0 349.479 0.944 50 0 ECAARP CCCn1ncc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000095365778 218298163 /nfs/dbraw/zinc/29/81/63/218298163.db2.gz JVNNEUNPIHGGCU-RTBURBONSA-N 2 0 349.523 0.889 50 0 ECAARP C[NH2+]CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082114935 277020281 /nfs/dbraw/zinc/02/02/81/277020281.db2.gz UHMIKZPJVMEJIM-HNNXBMFYSA-N 2 0 336.480 0.531 50 0 ECAARP NC(=O)C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C2CCCC2)C3)CC1 ZINC000065387903 295035757 /nfs/dbraw/zinc/03/57/57/295035757.db2.gz NXHBIYSHLNUPBO-RDTXWAMCSA-N 2 0 334.464 0.174 50 0 ECAARP COCC[N@H+](C)CCN1CC2(CC[NH+]([C@H]3CCOC3)CC2)OC1=O ZINC000072409158 436045212 /nfs/dbraw/zinc/04/52/12/436045212.db2.gz DASUFQRHAXDTCK-HNNXBMFYSA-N 2 0 341.452 0.640 50 0 ECAARP CCc1cc(N2CCC([NH2+]C[C@H]3CCC(=O)N3)CC2)nc(N(C)C)[nH+]1 ZINC000095510853 436497934 /nfs/dbraw/zinc/49/79/34/436497934.db2.gz BSKAMTLTLBWKQX-OAHLLOKOSA-N 2 0 346.479 0.942 50 0 ECAARP CC(C)[N@@H+]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C(=O)C2CC2)C3)CC1 ZINC000065395853 436657085 /nfs/dbraw/zinc/65/70/85/436657085.db2.gz HRMMXYGKJVBHGO-VQIMIIECSA-N 2 0 348.491 0.387 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000065393655 436658138 /nfs/dbraw/zinc/65/81/38/436658138.db2.gz OOHQMFYMYSMHAN-RDTXWAMCSA-N 2 0 331.416 0.615 50 0 ECAARP C[N@H+](CC(=O)N1CCC([NH+]2CCC[C@H]2C(N)=O)CC1)CC(C)(C)C ZINC000585122191 439633111 /nfs/dbraw/zinc/63/31/11/439633111.db2.gz QCEOWTDXUWGTJX-HNNXBMFYSA-N 2 0 338.496 0.905 50 0 ECAARP CSCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000952989581 612140279 /nfs/dbraw/zinc/14/02/79/612140279.db2.gz RZBDIOYKTSZUAO-CYBMUJFWSA-N 2 0 342.509 0.127 50 0 ECAARP CCc1oc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)cc1C[NH+]1CCCC1 ZINC000067821073 215221262 /nfs/dbraw/zinc/22/12/62/215221262.db2.gz RUWSKPPZSHJLJR-KBPBESRZSA-N 2 0 348.447 0.726 50 0 ECAARP O=C(NCc1cccnc1-n1cncn1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072166713 216056550 /nfs/dbraw/zinc/05/65/50/216056550.db2.gz VXBOVSPNLWMCSH-CQSZACIVSA-N 2 0 341.419 0.010 50 0 ECAARP Nc1nc2c(c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n1)CC[NH2+]CC2 ZINC000072421590 216210445 /nfs/dbraw/zinc/21/04/45/216210445.db2.gz CIOGVZGHKHHEBV-AWEZNQCLSA-N 2 0 346.479 0.296 50 0 ECAARP CCNc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)cn1 ZINC000072422303 216211111 /nfs/dbraw/zinc/21/11/11/216211111.db2.gz XGUGWRXZKVMIGU-JKSUJKDBSA-N 2 0 346.479 0.941 50 0 ECAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cc(=O)[nH]cn1)CC[NH+](C)CC2 ZINC000072458795 216243924 /nfs/dbraw/zinc/24/39/24/216243924.db2.gz FZOLWVNSYNNRIG-HNNXBMFYSA-N 2 0 347.463 0.582 50 0 ECAARP Cc1ccc(CNC(=O)C[NH2+]CC2CC[NH+](CCO)CC2)s1 ZINC000071870953 436022386 /nfs/dbraw/zinc/02/23/86/436022386.db2.gz MYEXISXTZMCOFQ-UHFFFAOYSA-N 2 0 325.478 0.967 50 0 ECAARP COCC[N@H+](C)CCN1CC2(CC[NH+]([C@@H]3CCOC3)CC2)OC1=O ZINC000072409157 436044508 /nfs/dbraw/zinc/04/45/08/436044508.db2.gz DASUFQRHAXDTCK-OAHLLOKOSA-N 2 0 341.452 0.640 50 0 ECAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H](C)COC)CC2 ZINC000014744837 436077283 /nfs/dbraw/zinc/07/72/83/436077283.db2.gz SJIZADCXRMQRMS-AWEZNQCLSA-N 2 0 340.468 0.702 50 0 ECAARP CCCn1cnnc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065467452 436662582 /nfs/dbraw/zinc/66/25/82/436662582.db2.gz NPPRQYKOLMBDRC-RDTXWAMCSA-N 2 0 346.479 0.768 50 0 ECAARP CCOC(=O)CCN1CCC[N@H+](C)CCN(C)CCC[NH+](C)CC1 ZINC000068606328 436750356 /nfs/dbraw/zinc/75/03/56/436750356.db2.gz IVVAFKYJQPLOEF-UHFFFAOYSA-N 2 0 342.528 0.831 50 0 ECAARP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](C)O)CC1)C(=O)NCC(F)(F)F ZINC000069510324 436777246 /nfs/dbraw/zinc/77/72/46/436777246.db2.gz LKLIVEOJSYFYCB-WDEREUQCSA-N 2 0 325.375 0.736 50 0 ECAARP CC[NH+]1CCC(N(CCc2ccccn2)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000097568819 545733012 /nfs/dbraw/zinc/73/30/12/545733012.db2.gz WYCDDYLCQHYQQK-QZTJIDSGSA-N 2 0 346.475 0.660 50 0 ECAARP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)CC2)cc(C)[nH+]1 ZINC000082139265 612323197 /nfs/dbraw/zinc/32/31/97/612323197.db2.gz PWVJWIOKWPGRNH-INIZCTEOSA-N 2 0 328.420 0.640 50 0 ECAARP COCCOCCCC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000053088835 214163671 /nfs/dbraw/zinc/16/36/71/214163671.db2.gz BKBWZVVZQAKSJG-UHFFFAOYSA-N 2 0 329.485 0.914 50 0 ECAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CC(N)=O)cc1OC ZINC000055107606 214273007 /nfs/dbraw/zinc/27/30/07/214273007.db2.gz YLMZYIUAZXTNSC-CQSZACIVSA-N 2 0 339.436 0.352 50 0 ECAARP O=C(NCCc1cnc2ccccn12)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072128243 216019488 /nfs/dbraw/zinc/01/94/88/216019488.db2.gz HGRYFKYETQJMIW-OAHLLOKOSA-N 2 0 327.432 0.725 50 0 ECAARP CC[NH+]1CCC(N2CC[NH2+][C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000072144956 216029951 /nfs/dbraw/zinc/02/99/51/216029951.db2.gz WWVMVTKOVYQAHT-KRWDZBQOSA-N 2 0 331.464 0.456 50 0 ECAARP [NH3+]CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072162611 216049791 /nfs/dbraw/zinc/04/97/91/216049791.db2.gz UVKGXNBYEFEFHZ-MORSLUCNSA-N 2 0 329.400 0.763 50 0 ECAARP NC1(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)CC[NH2+]CC1 ZINC000072410161 216202908 /nfs/dbraw/zinc/20/29/08/216202908.db2.gz UKCDIGLGVCNFAJ-GOSISDBHSA-N 2 0 342.487 0.769 50 0 ECAARP Cc1cccnc1CN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)C3)CC1 ZINC000065383093 436655793 /nfs/dbraw/zinc/65/57/93/436655793.db2.gz PRARCENEBMVIQM-VQIMIIECSA-N 2 0 343.475 0.185 50 0 ECAARP C[C@H](C(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1)[NH+]1CCCC1 ZINC000584898200 439626188 /nfs/dbraw/zinc/62/61/88/439626188.db2.gz WZHUYVDTXQBMTB-MRXNPFEDSA-N 2 0 338.496 0.072 50 0 ECAARP CC(C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262713392 535055882 /nfs/dbraw/zinc/05/58/82/535055882.db2.gz SHAMZDCPSPTIPA-SJORKVTESA-N 2 0 346.475 0.983 50 0 ECAARP O=C(CCNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)Nc1nccs1 ZINC000072119546 216013271 /nfs/dbraw/zinc/01/32/71/216013271.db2.gz CHHREZVWRCZSCY-NSHDSACASA-N 2 0 337.449 0.320 50 0 ECAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCC1(Cn3cccn3)CC1)CC[NH2+]CC2 ZINC000072431342 216223528 /nfs/dbraw/zinc/22/35/28/216223528.db2.gz DFZNHELKHFSXTE-HNNXBMFYSA-N 2 0 331.464 0.853 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000229554211 242179561 /nfs/dbraw/zinc/17/95/61/242179561.db2.gz PGLSRJXKJRPVCP-LNLFQRSKSA-N 2 0 335.492 0.866 50 0 ECAARP [NH3+][C@H]1C[C@H](c2nnc(CNCC[NH+]3CCC(O)CC3)n2C2CC2)C1 ZINC000244788005 243082797 /nfs/dbraw/zinc/08/27/97/243082797.db2.gz QHNQZNOTXZZFOZ-JOCQHMNTSA-N 2 0 334.468 0.364 50 0 ECAARP COc1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1OCCC[NH3+] ZINC000299779841 258088906 /nfs/dbraw/zinc/08/89/06/258088906.db2.gz RUDBANSUEKOQDX-KBPBESRZSA-N 2 0 337.420 0.170 50 0 ECAARP Cc1ccc(OCC[NH3+])c(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000299782742 258091174 /nfs/dbraw/zinc/09/11/74/258091174.db2.gz GGCIDRXRBFNPNP-HOTGVXAUSA-N 2 0 333.432 0.614 50 0 ECAARP O[C@]1(CN2CC[NH+](CCCOc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000077453154 285376509 /nfs/dbraw/zinc/37/65/09/285376509.db2.gz HTZRZSXGYWZLPA-GOSISDBHSA-N 2 0 337.439 0.937 50 0 ECAARP C[NH+]1CCN(c2cc(CNC(=O)NCC[NH+]3CCCC3)ccn2)CC1 ZINC000048326806 436449831 /nfs/dbraw/zinc/44/98/31/436449831.db2.gz SNUGHBDGBBMOSS-UHFFFAOYSA-N 2 0 346.479 0.728 50 0 ECAARP O=C(N1CCCNC(=O)C1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000065508592 436665238 /nfs/dbraw/zinc/66/52/38/436665238.db2.gz FBENTTHTNFKRAL-VQIMIIECSA-N 2 0 342.443 0.057 50 0 ECAARP COCC(=O)NCc1cc2n(n1)CCC[N@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244574861 545934435 /nfs/dbraw/zinc/93/44/35/545934435.db2.gz CSKIWDVKZNGLEE-GASCZTMLSA-N 2 0 349.479 0.869 50 0 ECAARP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065529211 214947888 /nfs/dbraw/zinc/94/78/88/214947888.db2.gz ANIQDJYEFSZWAT-UHFFFAOYSA-N 3 0 342.487 0.619 50 0 ECAARP C[N@@H+]1CCC[C@@H](CN2CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)C1 ZINC000072146762 216033756 /nfs/dbraw/zinc/03/37/56/216033756.db2.gz NKCCEMDDSSWCNZ-QGZVFWFLSA-N 2 0 346.523 0.836 50 0 ECAARP O=C(NCc1nnc2n1CCCCC2)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072158959 216047760 /nfs/dbraw/zinc/04/77/60/216047760.db2.gz GASLEGQEECXVLY-CYBMUJFWSA-N 2 0 332.452 0.352 50 0 ECAARP C[C@H](Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000072474522 216251131 /nfs/dbraw/zinc/25/11/31/216251131.db2.gz GUWBVUONPCHSQH-OAHLLOKOSA-N 2 0 343.479 0.876 50 0 ECAARP OC[C@H]1CCC[N@@H+](C2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)C1 ZINC000072476970 216254733 /nfs/dbraw/zinc/25/47/33/216254733.db2.gz IOBMDXSCGNWKOS-HNNXBMFYSA-N 2 0 345.491 0.838 50 0 ECAARP CC(C)(C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H](O)C1)N1CCOCC1 ZINC000097600987 219039308 /nfs/dbraw/zinc/03/93/08/219039308.db2.gz OXZWUOUDHGQOBX-QGZVFWFLSA-N 2 0 334.464 0.675 50 0 ECAARP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])ccc12 ZINC000002522647 435968732 /nfs/dbraw/zinc/96/87/32/435968732.db2.gz ZSQPDAOJXSYJNP-LBPRGKRZSA-N 2 0 331.376 0.630 50 0 ECAARP O=C(C[NH2+]CCn1cccn1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071879166 436025033 /nfs/dbraw/zinc/02/50/33/436025033.db2.gz AGAUTBVJZQOUIO-QGZVFWFLSA-N 2 0 327.432 0.863 50 0 ECAARP O[C@H]1[C@H]([NH2+]CCCn2ccnn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072165398 436032914 /nfs/dbraw/zinc/03/29/14/436032914.db2.gz SKKQVUUUKUJVAG-SJORKVTESA-N 2 0 327.432 0.995 50 0 ECAARP Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000077458089 436237582 /nfs/dbraw/zinc/23/75/82/436237582.db2.gz YTEJEMOQSULKHR-HNNXBMFYSA-N 2 0 342.447 0.797 50 0 ECAARP O=C([C@@H]1C[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195000575 436675081 /nfs/dbraw/zinc/67/50/81/436675081.db2.gz NTIJIYURTBCPIK-QBPKDAKJSA-N 2 0 346.475 0.236 50 0 ECAARP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)[NH2+]1 ZINC000153232069 436752955 /nfs/dbraw/zinc/75/29/55/436752955.db2.gz WAQLMHXFIQTVLD-HOTGVXAUSA-N 2 0 331.464 0.803 50 0 ECAARP CN1CC[NH+]([C@@H]2CCN(C(=O)C[NH+]3CCCCCC3)C[C@H]2O)CC1 ZINC000019739851 740125348 /nfs/dbraw/zinc/12/53/48/740125348.db2.gz PMFGPTXKYJRLTO-IAGOWNOFSA-N 2 0 338.496 0.072 50 0 ECAARP CN1CCN(c2c(NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)c2=O)CC1 ZINC000101678464 219154824 /nfs/dbraw/zinc/15/48/24/219154824.db2.gz AEWXLWCZVPBICY-UHFFFAOYSA-N 2 0 334.464 0.756 50 0 ECAARP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000252585337 288146338 /nfs/dbraw/zinc/14/63/38/288146338.db2.gz HWEGKPQSVKSYDZ-ILXRZTDVSA-N 2 0 326.485 0.956 50 0 ECAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2C1 ZINC000082146040 436362849 /nfs/dbraw/zinc/36/28/49/436362849.db2.gz WKDHIJYRGFMKMK-MRXNPFEDSA-N 2 0 335.452 0.349 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000106869156 436603298 /nfs/dbraw/zinc/60/32/98/436603298.db2.gz CKOXUYOBWGODAG-FUHIMQAGSA-N 2 0 347.503 0.793 50 0 ECAARP COC(=O)c1c(OC[C@H]2CCC[N@H+](C)C2)cc(=O)n2c1CC[NH2+]CC2 ZINC000299774392 437112616 /nfs/dbraw/zinc/11/26/16/437112616.db2.gz HMIWIBRSJKJKBA-ZDUSSCGKSA-N 2 0 349.431 0.501 50 0 ECAARP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H](F)C1C[NH2+]C1 ZINC000864091897 590055558 /nfs/dbraw/zinc/05/55/58/590055558.db2.gz IJEBWRGVJXLMNE-HNNXBMFYSA-N 2 0 327.444 0.943 50 0 ECAARP CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000067871780 215236518 /nfs/dbraw/zinc/23/65/18/215236518.db2.gz ATZSZPTZKOVEAU-ZFWWWQNUSA-N 2 0 348.447 0.799 50 0 ECAARP C[NH+]1CCC(N(Cc2ccncc2)C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000072410874 216203044 /nfs/dbraw/zinc/20/30/44/216203044.db2.gz VLSAEJGPJXEEPC-QGZVFWFLSA-N 2 0 332.448 0.883 50 0 ECAARP [NH3+]CCc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H](O)C2)cc1 ZINC000216987414 241228597 /nfs/dbraw/zinc/22/85/97/241228597.db2.gz ZNKGSYQQQDAGFF-IBGZPJMESA-N 2 0 333.476 0.845 50 0 ECAARP C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091460045 218009946 /nfs/dbraw/zinc/00/99/46/218009946.db2.gz JTAKSPNQLBFFMJ-MRXNPFEDSA-N 2 0 349.479 0.529 50 0 ECAARP CCCC[N@H+](CCO)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000070947691 435998666 /nfs/dbraw/zinc/99/86/66/435998666.db2.gz MHDDAABANUVBRU-MRXNPFEDSA-N 2 0 329.485 0.554 50 0 ECAARP COc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)cc(OC)c1OC ZINC000065395529 436656830 /nfs/dbraw/zinc/65/68/30/436656830.db2.gz CZJMMMVCPGYJHH-FZKQIMNGSA-N 2 0 349.431 0.480 50 0 ECAARP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)C1CC1 ZINC000249092698 436814822 /nfs/dbraw/zinc/81/48/22/436814822.db2.gz HKZUSBNVGQLJOA-UONOGXRCSA-N 2 0 326.485 0.956 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000247396094 436793836 /nfs/dbraw/zinc/79/38/36/436793836.db2.gz XWCQHFWNFJLUBN-ZIAGYGMSSA-N 2 0 335.452 0.828 50 0 ECAARP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000261906929 436895116 /nfs/dbraw/zinc/89/51/16/436895116.db2.gz SMAGCVDKBBDJMB-MBNYWOFBSA-N 2 0 334.386 0.328 50 0 ECAARP C[N@@H+]1CCOC[C@H](CNC(=O)c2cc(Cl)ccc2OCC[NH3+])C1 ZINC000426398982 438057962 /nfs/dbraw/zinc/05/79/62/438057962.db2.gz FRLDYXYAHMYCRC-GFCCVEGCSA-N 2 0 341.839 0.986 50 0 ECAARP Cc1nnc2n1C[C@@H](C[NH+](C)C)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC000685943377 549729714 /nfs/dbraw/zinc/72/97/14/549729714.db2.gz VSUUTNNVGKPPFL-OAHLLOKOSA-N 2 0 339.403 0.820 50 0 ECAARP CCOCc1nc2c(c(N3CC[N@@H+]4CCC[C@@H]4C3)n1)CC[NH2+]CC2 ZINC000072463152 216245747 /nfs/dbraw/zinc/24/57/47/216245747.db2.gz CFFOFVKPDHZWPW-CQSZACIVSA-N 2 0 331.464 0.986 50 0 ECAARP Cc1cc(N2CCCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc[nH+]1 ZINC000091594172 218028015 /nfs/dbraw/zinc/02/80/15/218028015.db2.gz PGOVSLLIBQMVAZ-UHFFFAOYSA-N 2 0 329.408 0.293 50 0 ECAARP O=C1NCCN1CC[NH2+][C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072411808 296375312 /nfs/dbraw/zinc/37/53/12/296375312.db2.gz TYYRJYHEPIRRAV-CVEARBPZSA-N 2 0 330.432 0.338 50 0 ECAARP CN(CCCC[NH+]1CCOCC1)c1nc2c(c(=O)[nH]1)CC[NH2+]CC2 ZINC000065398547 289617443 /nfs/dbraw/zinc/61/74/43/289617443.db2.gz ZUCPYZGFCOCGNJ-UHFFFAOYSA-N 2 0 335.452 0.007 50 0 ECAARP CC(C)[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)CCC[N@@H+]1CC1CC1 ZINC000071764374 436011242 /nfs/dbraw/zinc/01/12/42/436011242.db2.gz CZXIPFKPMRABEJ-INIZCTEOSA-N 2 0 334.468 0.819 50 0 ECAARP C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000071877129 436024701 /nfs/dbraw/zinc/02/47/01/436024701.db2.gz YHRAHFTZQUDUKJ-APWZRJJASA-N 2 0 333.476 0.404 50 0 ECAARP C[NH+](C)CCNC(=O)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000071922294 436030813 /nfs/dbraw/zinc/03/08/13/436030813.db2.gz DTVXJDANHGRSPM-UHFFFAOYSA-N 2 0 345.447 0.819 50 0 ECAARP CN(CCO)Cc1nnc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1C ZINC000077375013 436234291 /nfs/dbraw/zinc/23/42/91/436234291.db2.gz FJBHQDDLWUNGDN-UHFFFAOYSA-N 2 0 336.484 0.171 50 0 ECAARP C[NH2+]CCNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067973734 215263795 /nfs/dbraw/zinc/26/37/95/215263795.db2.gz KJLPKZWDGUFDGI-UHFFFAOYSA-N 2 0 347.463 0.650 50 0 ECAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCCNC(=O)c1cccnc1)CC[NH2+]CC2 ZINC000072430910 216223654 /nfs/dbraw/zinc/22/36/54/216223654.db2.gz NFGPQWCTXIEHOR-HNNXBMFYSA-N 2 0 345.447 0.002 50 0 ECAARP CCC[NH+]1CCC(N2C[C@H]([NH3+])C[C@H]2C(=O)NCc2cccnc2)CC1 ZINC000299763000 258079333 /nfs/dbraw/zinc/07/93/33/258079333.db2.gz FRRHZILGPITJOC-AEFFLSMTSA-N 2 0 345.491 0.974 50 0 ECAARP CC(C)C[N@@H+]1CCn2nc(CNC(=O)C[C@H]3COCC[NH2+]3)cc2C1 ZINC000082120317 436362030 /nfs/dbraw/zinc/36/20/30/436362030.db2.gz CQLYPWLEMJAKRH-HNNXBMFYSA-N 2 0 335.452 0.349 50 0 ECAARP NC(=O)C1CC[NH+](CCCC[NH2+]Cc2cnc3ccnn3c2)CC1 ZINC000058298912 436623023 /nfs/dbraw/zinc/62/30/23/436623023.db2.gz ZCEQJGYUAWHELH-UHFFFAOYSA-N 2 0 330.436 0.796 50 0 ECAARP CC[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000107351196 436611814 /nfs/dbraw/zinc/61/18/14/436611814.db2.gz QIWGSAFCLKQBPN-RCCFBDPRSA-N 2 0 327.513 0.856 50 0 ECAARP CCn1cnnc1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065403368 436658261 /nfs/dbraw/zinc/65/82/61/436658261.db2.gz AKPBYVMKUUDZFY-RDTXWAMCSA-N 2 0 346.479 0.421 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCCn2nnc3ccccc32)C1 ZINC000065461033 436663197 /nfs/dbraw/zinc/66/31/97/436663197.db2.gz BGYLMWRVCFNBIW-CXAGYDPISA-N 2 0 328.420 0.089 50 0 ECAARP CCc1ccccc1NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000065528379 436666697 /nfs/dbraw/zinc/66/66/97/436666697.db2.gz BSBHITVKNGMDQF-DNVCBOLYSA-N 2 0 344.459 0.845 50 0 ECAARP [NH3+][C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000178761506 437228101 /nfs/dbraw/zinc/22/81/01/437228101.db2.gz ISDISQNMYGTRTJ-KRWDZBQOSA-N 2 0 330.432 0.453 50 0 ECAARP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1CCOC1 ZINC000685940610 549726911 /nfs/dbraw/zinc/72/69/11/549726911.db2.gz PRIJUFIEQGZAHT-XHSDSOJGSA-N 3 0 326.485 0.307 50 0 ECAARP CN1CCN(c2c(=O)c(=O)c2NCC2([NH+](C)C)CCCCC2)CC1 ZINC000101677546 219154760 /nfs/dbraw/zinc/15/47/60/219154760.db2.gz RUDFNLRHAQXMDP-UHFFFAOYSA-N 2 0 334.464 0.711 50 0 ECAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000095355874 218288985 /nfs/dbraw/zinc/28/89/85/218288985.db2.gz TVWMAWADHCXSKY-MRXNPFEDSA-N 2 0 349.479 0.529 50 0 ECAARP Cc1cc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n(C)n1 ZINC000069778636 435964053 /nfs/dbraw/zinc/96/40/53/435964053.db2.gz GJQCGKPQAZZTFR-AWEZNQCLSA-N 2 0 337.468 0.692 50 0 ECAARP CC[NH+]1CCN(c2nc3c(cnn3C)c(N3CC[NH+](C)CC3)n2)CC1 ZINC000021929784 436117413 /nfs/dbraw/zinc/11/74/13/436117413.db2.gz CSHCOAFAZJVTKJ-UHFFFAOYSA-N 2 0 344.467 0.257 50 0 ECAARP CCn1c(Cn2cncn2)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000091325866 436448669 /nfs/dbraw/zinc/44/86/69/436448669.db2.gz OWMGMLIOEXCNMG-UHFFFAOYSA-N 2 0 344.467 0.869 50 0 ECAARP Cc1cc2c(cc1C[N@@H+]1CC[C@@H](CNC(=O)C3C[NH2+]C3)C1)OCCO2 ZINC000067867416 436727146 /nfs/dbraw/zinc/72/71/46/436727146.db2.gz SKIBREGDOWXMAD-AWEZNQCLSA-N 2 0 345.443 0.924 50 0 ECAARP CN(C1CC[NH2+]CC1)S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000585137022 439634087 /nfs/dbraw/zinc/63/40/87/439634087.db2.gz DGVRXDAFSPSIKV-UHFFFAOYSA-N 2 0 326.466 0.376 50 0 ECAARP C[NH+]1CCC(n2nc(C3CCOCC3)nc2C[C@H]2C[NH2+]CCO2)CC1 ZINC000097694779 219048661 /nfs/dbraw/zinc/04/86/61/219048661.db2.gz BAGXVCYAPGRIHK-INIZCTEOSA-N 2 0 349.479 0.970 50 0 ECAARP CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000067921498 215251678 /nfs/dbraw/zinc/25/16/78/215251678.db2.gz HOSRNKWYBJSAJJ-HOCLYGCPSA-N 2 0 348.447 0.556 50 0 ECAARP O=C(NCCc1cnc2ccccn12)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072128242 216018831 /nfs/dbraw/zinc/01/88/31/216018831.db2.gz HGRYFKYETQJMIW-HNNXBMFYSA-N 2 0 327.432 0.725 50 0 ECAARP COCC[NH+]1CCC(CN2CCO[C@]3(C2)C[NH2+]CCOC3)CC1 ZINC000072149894 285008930 /nfs/dbraw/zinc/00/89/30/285008930.db2.gz YWAKOEZURCKWEI-KRWDZBQOSA-N 2 0 327.469 0.036 50 0 ECAARP COc1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)cc1OCC[NH3+] ZINC000426425120 254786353 /nfs/dbraw/zinc/78/63/53/254786353.db2.gz CFTDGSUCPRKCJX-GJZGRUSLSA-N 2 0 349.431 0.626 50 0 ECAARP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261825885 165249067 /nfs/dbraw/zinc/24/90/67/165249067.db2.gz KRIMDRWIKCVNKE-MQYQWHSLSA-N 2 0 348.413 0.859 50 0 ECAARP C[NH+](C)CCN1C[C@H](c2nc(CC3CC[NH+](C)CC3)no2)CC1=O ZINC000096165984 289159787 /nfs/dbraw/zinc/15/97/87/289159787.db2.gz JMRCMFZZJHTCPK-CQSZACIVSA-N 2 0 335.452 0.831 50 0 ECAARP O=C(N1CCN(C/C=C/c2ccccc2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096162906 436516648 /nfs/dbraw/zinc/51/66/48/436516648.db2.gz HVFGLXBNDOOLJJ-QPJJXVBHSA-N 2 0 340.471 0.653 50 0 ECAARP CCc1cc(N2CCC([NH2+]C[C@@H]3CCC(=O)N3)CC2)nc(N(C)C)[nH+]1 ZINC000095510852 436497621 /nfs/dbraw/zinc/49/76/21/436497621.db2.gz BSKAMTLTLBWKQX-HNNXBMFYSA-N 2 0 346.479 0.942 50 0 ECAARP C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000106869154 436603119 /nfs/dbraw/zinc/60/31/19/436603119.db2.gz CKOXUYOBWGODAG-UWVAXJGDSA-N 2 0 347.503 0.793 50 0 ECAARP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065610310 436668842 /nfs/dbraw/zinc/66/88/42/436668842.db2.gz FSKUOCYHKMUTRH-UPJWGTAASA-N 2 0 326.441 0.391 50 0 ECAARP [NH3+]CCc1nc2ccccc2c(NCCC[NH+](CCO)CCO)n1 ZINC000065453293 214914109 /nfs/dbraw/zinc/91/41/09/214914109.db2.gz PQIVHBLRGHGIDO-UHFFFAOYSA-N 2 0 333.436 0.220 50 0 ECAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000069329297 215379875 /nfs/dbraw/zinc/37/98/75/215379875.db2.gz DFCSGMBAYGEJGS-OAHLLOKOSA-N 2 0 349.479 0.496 50 0 ECAARP CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc4n(n3)CC[NH2+]C4)CC2)O1 ZINC000072131016 216020131 /nfs/dbraw/zinc/02/01/31/216020131.db2.gz OVOUZIRNDMFXQL-KRWDZBQOSA-N 2 0 347.463 0.636 50 0 ECAARP C[NH+](C)C[C@@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1ccccc1 ZINC000072431170 216224257 /nfs/dbraw/zinc/22/42/57/216224257.db2.gz DJHKNTAAIOTGLP-MRXNPFEDSA-N 2 0 326.448 0.884 50 0 ECAARP [NH3+]CC[C@H]1CN(c2nc(NC3CC3)nc3c2CC[NH2+]CC3)CCO1 ZINC000072447437 216237214 /nfs/dbraw/zinc/23/72/14/216237214.db2.gz DVRIISHQZABBKZ-ZDUSSCGKSA-N 2 0 332.452 0.293 50 0 ECAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cc(=O)[nH]cn1)CC[NH+](C)CC2 ZINC000072458793 216243673 /nfs/dbraw/zinc/24/36/73/216243673.db2.gz FZOLWVNSYNNRIG-OAHLLOKOSA-N 2 0 347.463 0.582 50 0 ECAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000091468840 218011091 /nfs/dbraw/zinc/01/10/91/218011091.db2.gz PHHKDFBPEKCULJ-OAHLLOKOSA-N 2 0 345.447 0.236 50 0 ECAARP c1c(CNc2ncccn2)nn2c1C[N@@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC000299758431 258075915 /nfs/dbraw/zinc/07/59/15/258075915.db2.gz POSPPNQXOBCAMU-ZSHCYNCHSA-N 2 0 325.420 0.566 50 0 ECAARP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000069657963 435956677 /nfs/dbraw/zinc/95/66/77/435956677.db2.gz OQVKGIOWBJMRJO-HNNXBMFYSA-N 2 0 334.468 0.591 50 0 ECAARP O=C(NCC[NH+]1CCC(c2ccccc2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096153076 436517326 /nfs/dbraw/zinc/51/73/26/436517326.db2.gz FYECETHVJSBAEQ-UHFFFAOYSA-N 3 0 342.487 0.791 50 0 ECAARP Cn1c(CN2CC[NH+](C3CCOCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252571278 436838462 /nfs/dbraw/zinc/83/84/62/436838462.db2.gz XRDAFPNVEUTFRQ-HDJSIYSDSA-N 2 0 334.468 0.316 50 0 ECAARP C[NH+](C)[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1O ZINC000408523440 438582965 /nfs/dbraw/zinc/58/29/65/438582965.db2.gz JZJKKWDOWXCIHN-HOTGVXAUSA-N 2 0 338.427 0.574 50 0 ECAARP Cc1nnnn1-c1cccc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c1 ZINC000952969928 612139466 /nfs/dbraw/zinc/13/94/66/612139466.db2.gz NJTDLKNJUIARFS-HNNXBMFYSA-N 2 0 331.424 0.968 50 0 ECAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[NH2+]CC2 ZINC000257182697 244079497 /nfs/dbraw/zinc/07/94/97/244079497.db2.gz GTXUJBAMBIMZOA-CYBMUJFWSA-N 2 0 335.452 0.389 50 0 ECAARP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261825886 165249124 /nfs/dbraw/zinc/24/91/24/165249124.db2.gz KRIMDRWIKCVNKE-RFGFWPKPSA-N 2 0 348.413 0.859 50 0 ECAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCc2ccccn2)CC1 ZINC000069918473 435977290 /nfs/dbraw/zinc/97/72/90/435977290.db2.gz MPKDZAPBVYFBHI-HNNXBMFYSA-N 2 0 334.464 0.722 50 0 ECAARP CCOCC[NH+]1CCC2(CC1)CC[N@H+](CCC(N)=O)C[C@@H]2CO ZINC000102543293 436552371 /nfs/dbraw/zinc/55/23/71/436552371.db2.gz YKCDLEXIOYBHGE-OAHLLOKOSA-N 2 0 327.469 0.295 50 0 ECAARP COc1cccc(CN2CC[N@H+](C)[C@H](CO)C2)c1OCC[NH+](C)C ZINC000225330707 436709481 /nfs/dbraw/zinc/70/94/81/436709481.db2.gz HPKTVGCQYFMYLP-INIZCTEOSA-N 2 0 337.464 0.744 50 0 ECAARP COc1cccc([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[NH+]2CCCC2)c1 ZINC000237314393 436730964 /nfs/dbraw/zinc/73/09/64/436730964.db2.gz BKJZKPUCFGDAPC-OIISXLGYSA-N 2 0 333.432 0.671 50 0 ECAARP COCC[NH+]1CCC(CN(C)C(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000584903292 439626460 /nfs/dbraw/zinc/62/64/60/439626460.db2.gz XFSCCKMSFAWRJR-UHFFFAOYSA-N 2 0 340.512 0.441 50 0 ECAARP CC[NH+]1CCN(CC(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)CC1 ZINC000952988182 612140204 /nfs/dbraw/zinc/14/02/04/612140204.db2.gz MQQFZQNFAGJDDY-UHFFFAOYSA-N 2 0 338.496 0.073 50 0 ECAARP CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000067754417 215203474 /nfs/dbraw/zinc/20/34/74/215203474.db2.gz RDKFRGDQANPZSX-SJORKVTESA-N 2 0 344.459 0.540 50 0 ECAARP O=C(NCc1cnn(Cc2ccccc2)c1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096166378 218639735 /nfs/dbraw/zinc/63/97/35/218639735.db2.gz WUNYHFJPVBPSLL-UHFFFAOYSA-N 2 0 325.416 0.357 50 0 ECAARP CS(=O)(=O)c1cnc(N2CCC([NH3+])CC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072430063 436046677 /nfs/dbraw/zinc/04/66/77/436046677.db2.gz GFBOMFFOIFPBRG-LLVKDONJSA-N 2 0 339.465 0.275 50 0 ECAARP Cc1cc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)nc(N(C)C)[nH+]1 ZINC000095530149 436499608 /nfs/dbraw/zinc/49/96/08/436499608.db2.gz LJSULGNZVGMTDH-HNNXBMFYSA-N 2 0 335.452 0.825 50 0 ECAARP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3COCCN3)CC2)C[C@@H](C)O1 ZINC000237401691 436734736 /nfs/dbraw/zinc/73/47/36/436734736.db2.gz LNDIWMYCVZTQCV-INMHGKMJSA-N 2 0 339.480 0.713 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000065527093 731766863 /nfs/dbraw/zinc/76/68/63/731766863.db2.gz CHZVMAGCTQBAPQ-VQIMIIECSA-N 2 0 339.443 0.682 50 0 ECAARP CC(C)C[C@@H](NC(=O)C1CC[NH2+]CC1)c1nnc2n1CC[NH2+]CC2 ZINC000067654307 215175255 /nfs/dbraw/zinc/17/52/55/215175255.db2.gz VTPVNQLQMYWJSD-CQSZACIVSA-N 2 0 334.468 0.627 50 0 ECAARP O=C(NCc1nnc2n1CCCCC2)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072158958 216048817 /nfs/dbraw/zinc/04/88/17/216048817.db2.gz GASLEGQEECXVLY-ZDUSSCGKSA-N 2 0 332.452 0.352 50 0 ECAARP C[NH+]1CCC(N(CCc2ccccc2)C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000072435667 216231281 /nfs/dbraw/zinc/23/12/81/216231281.db2.gz VXNRHVXZZSBTQS-MSOLQXFVSA-N 2 0 331.460 0.875 50 0 ECAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccccc3OCCO)CC[C@H]21 ZINC000072474303 216251423 /nfs/dbraw/zinc/25/14/23/216251423.db2.gz HSBLDSANLDZWOB-DOTOQJQBSA-N 2 0 347.459 0.829 50 0 ECAARP CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)nc1 ZINC000095376768 218308932 /nfs/dbraw/zinc/30/89/32/218308932.db2.gz FGGZRVLBDGGAIK-QZTJIDSGSA-N 2 0 332.492 0.932 50 0 ECAARP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000195571666 288145900 /nfs/dbraw/zinc/14/59/00/288145900.db2.gz HWEGKPQSVKSYDZ-RBSFLKMASA-N 2 0 326.485 0.956 50 0 ECAARP C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000077408145 436235180 /nfs/dbraw/zinc/23/51/80/436235180.db2.gz CSKDTLSUUWWHAF-CYBMUJFWSA-N 2 0 328.420 0.413 50 0 ECAARP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065409467 436659681 /nfs/dbraw/zinc/65/96/81/436659681.db2.gz RQCBTQFKBBYZFR-UHFFFAOYSA-N 3 0 342.487 0.824 50 0 ECAARP C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1 ZINC000065375424 436656493 /nfs/dbraw/zinc/65/64/93/436656493.db2.gz GVQNGRMYCHXAKT-RDTXWAMCSA-N 2 0 343.406 0.779 50 0 ECAARP CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(CCOC)c3c2C[NH2+]CC3)C1 ZINC000257191200 436859678 /nfs/dbraw/zinc/85/96/78/436859678.db2.gz PMTJDQLJHULVNG-CYBMUJFWSA-N 2 0 335.452 0.389 50 0 ECAARP