smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)n1 ZINC000161233219 326992800 /nfs/dbraw/zinc/99/28/00/326992800.db2.gz AFZZWGXJPTVKDY-AWEZNQCLSA-N 2 0 355.486 2.236 20 70 FEIDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NCCCOC ZINC000160019351 546001427 /nfs/dbraw/zinc/00/14/27/546001427.db2.gz IBXOTSPTZLSMJZ-KRWDZBQOSA-N 2 0 362.518 2.161 20 70 FEIDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000160051348 546003485 /nfs/dbraw/zinc/00/34/85/546003485.db2.gz HNXOGTMJNQKKNI-HKUYNNGSSA-N 2 0 374.529 2.304 20 70 FEIDRP Cc1csc(N2CCC([NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)CC2)n1 ZINC000160682774 546062738 /nfs/dbraw/zinc/06/27/38/546062738.db2.gz ZPTOZRIBMDLAPL-QGZVFWFLSA-N 2 0 352.548 2.247 20 70 FEIDRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)[nH+]1 ZINC000160092284 546006449 /nfs/dbraw/zinc/00/64/49/546006449.db2.gz CEQAASSUKADWKN-FUHWJXTLSA-N 2 0 368.485 2.053 20 70 FEIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000160157900 546012725 /nfs/dbraw/zinc/01/27/25/546012725.db2.gz SQRAAJKYLDYCBV-GOSISDBHSA-N 3 0 362.562 2.304 20 70 FEIDRP C[C@@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)N1CCc2ccccc2C1 ZINC000160254435 546023315 /nfs/dbraw/zinc/02/33/15/546023315.db2.gz QOVSAFOPWYULOY-SFHVURJKSA-N 2 0 373.541 2.250 20 70 FEIDRP COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1NC(C)=O ZINC000160250520 546023410 /nfs/dbraw/zinc/02/34/10/546023410.db2.gz YJNHACLLLURVQO-HNNXBMFYSA-N 2 0 362.518 2.330 20 70 FEIDRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160638400 546059227 /nfs/dbraw/zinc/05/92/27/546059227.db2.gz ZNXSVQWIHLHRKI-KRWDZBQOSA-N 2 0 360.502 2.370 20 70 FEIDRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160154986 326955239 /nfs/dbraw/zinc/95/52/39/326955239.db2.gz UFFLDQSIZQINIK-AWEZNQCLSA-N 2 0 367.925 2.068 20 70 FEIDRP c1ccc(C[NH+]2CCN(CC[NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161217993 326991987 /nfs/dbraw/zinc/99/19/87/326991987.db2.gz SOEHZLIHIZNECM-UHFFFAOYSA-N 2 0 359.514 2.080 20 70 FEIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cn2)CC1 ZINC000159538936 545961193 /nfs/dbraw/zinc/96/11/93/545961193.db2.gz NTRJBRBLFAHKDE-GOSISDBHSA-N 2 0 354.502 2.124 20 70 FEIDRP CC(C)[N@H+](CCc1nccs1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159942374 545994064 /nfs/dbraw/zinc/99/40/64/545994064.db2.gz JYTGNDDELCUGNR-UHFFFAOYSA-N 2 0 352.548 2.385 20 70 FEIDRP C[NH+](C)C1CCN(CC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000160187791 546015367 /nfs/dbraw/zinc/01/53/67/546015367.db2.gz JOMPUQVXDMXNAB-UHFFFAOYSA-N 2 0 358.574 2.309 20 70 FEIDRP Cc1c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000160231164 546020255 /nfs/dbraw/zinc/02/02/55/546020255.db2.gz DSYBUHYXZHXBIM-OAHLLOKOSA-N 2 0 374.508 2.391 20 70 FEIDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160784818 546072156 /nfs/dbraw/zinc/07/21/56/546072156.db2.gz HIEPWNDLKVUHIZ-MOPGFXCFSA-N 2 0 362.518 2.042 20 70 FEIDRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160658060 546060483 /nfs/dbraw/zinc/06/04/83/546060483.db2.gz IPNBOPNTLROJHF-IBGZPJMESA-N 2 0 362.493 2.383 20 70 FEIDRP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000160794733 546073370 /nfs/dbraw/zinc/07/33/70/546073370.db2.gz JBAYDAXXFCQSDA-GOSISDBHSA-N 2 0 359.518 2.424 20 70 FEIDRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160796214 546073023 /nfs/dbraw/zinc/07/30/23/546073023.db2.gz KVKBXYQLRVYRKU-GOSISDBHSA-N 2 0 359.518 2.172 20 70 FEIDRP CC(=O)Nc1ccccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000160470145 546044678 /nfs/dbraw/zinc/04/46/78/546044678.db2.gz ZPEFLHOLJKVVCO-UHFFFAOYSA-N 2 0 368.481 2.226 20 70 FEIDRP CC(=O)NC1CCC([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000161275442 546116384 /nfs/dbraw/zinc/11/63/84/546116384.db2.gz RCWKWFYCBLBMAB-UHFFFAOYSA-N 2 0 372.557 2.231 20 70 FEIDRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160155114 326955279 /nfs/dbraw/zinc/95/52/79/326955279.db2.gz UFFLDQSIZQINIK-CQSZACIVSA-N 2 0 367.925 2.068 20 70 FEIDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cn2)CC1 ZINC000159502843 545959629 /nfs/dbraw/zinc/95/96/29/545959629.db2.gz OXTVOEMSVKRYFY-UHFFFAOYSA-N 2 0 367.488 2.043 20 70 FEIDRP CC[N@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000160133709 546010082 /nfs/dbraw/zinc/01/00/82/546010082.db2.gz PIAOWEHPBQCQQJ-JKSUJKDBSA-N 2 0 356.873 2.475 20 70 FEIDRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160271458 546025490 /nfs/dbraw/zinc/02/54/90/546025490.db2.gz MRRKZTZWNARWQB-RLLQIKCJSA-N 2 0 354.498 2.305 20 70 FEIDRP CN(CC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1)Cc1ccc(F)cc1 ZINC000160877698 546080303 /nfs/dbraw/zinc/08/03/03/546080303.db2.gz PMVKZGRJSZSCMN-OAQYLSRUSA-N 2 0 362.537 2.359 20 70 FEIDRP Cc1cc(N2CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC2)nc(C)n1 ZINC000159471852 545956532 /nfs/dbraw/zinc/95/65/32/545956532.db2.gz FTHHLFZOKVEBOO-UHFFFAOYSA-N 2 0 362.522 2.044 20 70 FEIDRP C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000160145476 546011734 /nfs/dbraw/zinc/01/17/34/546011734.db2.gz URJVNOLEDGXFOR-HUUCEWRRSA-N 2 0 353.532 2.366 20 70 FEIDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160784942 546072369 /nfs/dbraw/zinc/07/23/69/546072369.db2.gz HIEPWNDLKVUHIZ-OALUTQOASA-N 2 0 362.518 2.042 20 70 FEIDRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160271227 546026334 /nfs/dbraw/zinc/02/63/34/546026334.db2.gz MRRKZTZWNARWQB-HOJAQTOUSA-N 2 0 354.498 2.305 20 70 FEIDRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](CCO)c1ccccc1)c1ccccc1 ZINC000160293477 326960631 /nfs/dbraw/zinc/96/06/31/326960631.db2.gz ZBTNHHZKHAQLKD-WOJBJXKFSA-N 2 0 355.482 2.119 20 70 FEIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000161342656 326996272 /nfs/dbraw/zinc/99/62/72/326996272.db2.gz BCLRDLZFGXFUMR-YLJYHZDGSA-N 2 0 369.513 2.263 20 70 FEIDRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)[C@H](C)C1 ZINC000160153518 546012625 /nfs/dbraw/zinc/01/26/25/546012625.db2.gz AKERSQLFMPKQMK-CEXWTWQISA-N 2 0 368.566 2.105 20 70 FEIDRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000160549468 546051379 /nfs/dbraw/zinc/05/13/79/546051379.db2.gz YRKODDNTMOSDHR-QHAWAJNXSA-N 2 0 373.541 2.249 20 70 FEIDRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160691653 546063204 /nfs/dbraw/zinc/06/32/04/546063204.db2.gz SENBQLOTSNASGL-IBGZPJMESA-N 2 0 362.493 2.383 20 70 FEIDRP CN(CC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1)Cc1ccc(F)cc1 ZINC000160877820 546079985 /nfs/dbraw/zinc/07/99/85/546079985.db2.gz PMVKZGRJSZSCMN-NRFANRHFSA-N 2 0 362.537 2.359 20 70 FEIDRP Cc1c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000160231303 326958228 /nfs/dbraw/zinc/95/82/28/326958228.db2.gz DSYBUHYXZHXBIM-HNNXBMFYSA-N 2 0 374.508 2.391 20 70 FEIDRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1)C(C)C ZINC000160268961 546023782 /nfs/dbraw/zinc/02/37/82/546023782.db2.gz OTGUWTXFCUONCZ-HXUWFJFHSA-N 2 0 361.530 2.494 20 70 FEIDRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160664991 546060974 /nfs/dbraw/zinc/06/09/74/546060974.db2.gz OITXXOWLBQWKEM-HUUCEWRRSA-N 2 0 368.909 2.279 20 70 FEIDRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000160187405 546015609 /nfs/dbraw/zinc/01/56/09/546015609.db2.gz SNVIHXIHFSYSBD-FQEVSTJZSA-N 2 0 359.514 2.248 20 70 FEIDRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000159385690 545948512 /nfs/dbraw/zinc/94/85/12/545948512.db2.gz GKTDSXMSEWYJHN-KRWDZBQOSA-N 2 0 362.543 2.123 20 70 FEIDRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159628133 545968225 /nfs/dbraw/zinc/96/82/25/545968225.db2.gz XFGHVXLSXZDIMW-MRXNPFEDSA-N 2 0 371.497 2.292 20 70 FEIDRP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000160549219 546051594 /nfs/dbraw/zinc/05/15/94/546051594.db2.gz YRKODDNTMOSDHR-PCCBWWKXSA-N 2 0 373.541 2.249 20 70 FEIDRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160796350 546073731 /nfs/dbraw/zinc/07/37/31/546073731.db2.gz KVKBXYQLRVYRKU-SFHVURJKSA-N 2 0 359.518 2.172 20 70 FEIDRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1CC ZINC000160808314 546074168 /nfs/dbraw/zinc/07/41/68/546074168.db2.gz BPNFPZMEHCUIFI-MSOLQXFVSA-N 2 0 366.550 2.146 20 70 FEIDRP COC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000160395407 546036570 /nfs/dbraw/zinc/03/65/70/546036570.db2.gz LBQCGXHXYQARSS-VQTJNVASSA-N 2 0 355.482 2.383 20 70 FEIDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160615729 546057161 /nfs/dbraw/zinc/05/71/61/546057161.db2.gz XVEQIXKPMLRJMU-UHFFFAOYSA-N 2 0 371.529 2.250 20 70 FEIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160709606 546064560 /nfs/dbraw/zinc/06/45/60/546064560.db2.gz CXDYPRHZQXWEEJ-GOEBONIOSA-N 2 0 372.506 2.117 20 70 FEIDRP CCC[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1CCOC ZINC000160701158 546065287 /nfs/dbraw/zinc/06/52/87/546065287.db2.gz AOIWATGCRSMRRQ-SFHVURJKSA-N 2 0 368.566 2.392 20 70 FEIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000161234773 546111881 /nfs/dbraw/zinc/11/18/81/546111881.db2.gz INYFZOSJCMRLPS-QFBILLFUSA-N 2 0 359.518 2.343 20 70 FEIDRP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C[NH+]1CCCC1 ZINC000160094019 326953203 /nfs/dbraw/zinc/95/32/03/326953203.db2.gz SWSAIUAWHYQHQV-SFHVURJKSA-N 2 0 373.541 2.353 20 70 FEIDRP Clc1ccc(-c2noc(CN3CCN(CCn4ccnc4)CC3)n2)cc1 ZINC000159710943 545974488 /nfs/dbraw/zinc/97/44/88/545974488.db2.gz WHQIFZJCESPPLB-UHFFFAOYSA-N 2 0 372.860 2.404 20 70 FEIDRP Cc1csc(N2CCC([NH2+]CCN3CCC([NH+](C)C)CC3)CC2)n1 ZINC000160177104 326956052 /nfs/dbraw/zinc/95/60/52/326956052.db2.gz SYRDNVYFRDXFIR-UHFFFAOYSA-N 2 0 351.564 2.036 20 70 FEIDRP C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000159542755 545961535 /nfs/dbraw/zinc/96/15/35/545961535.db2.gz ABGIOALSBAWZAW-SFHVURJKSA-N 2 0 373.541 2.353 20 70 FEIDRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160761052 546070023 /nfs/dbraw/zinc/07/00/23/546070023.db2.gz GCZYQUFEZVSIHL-GOSISDBHSA-N 2 0 362.493 2.383 20 70 FEIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000161175559 546106716 /nfs/dbraw/zinc/10/67/16/546106716.db2.gz PIOIJZARJBEJEQ-FXAWDEMLSA-N 2 0 371.529 2.487 20 70 FEIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161185106 546107791 /nfs/dbraw/zinc/10/77/91/546107791.db2.gz ZKPBFALUAWXSAU-QGZVFWFLSA-N 2 0 359.518 2.344 20 70 FEIDRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](CCC)C2)CC1 ZINC000161427046 546129927 /nfs/dbraw/zinc/12/99/27/546129927.db2.gz XJEOALMJBPLQOH-IBGZPJMESA-N 2 0 368.566 2.393 20 70 FEIDRP c1ccc(C[NH+]2CCN(CCC[NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161275576 326994210 /nfs/dbraw/zinc/99/42/10/326994210.db2.gz MHPMWJBFQRUXMY-UHFFFAOYSA-N 2 0 373.541 2.470 20 70 FEIDRP C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000160145178 326955073 /nfs/dbraw/zinc/95/50/73/326955073.db2.gz URJVNOLEDGXFOR-LSDHHAIUSA-N 2 0 353.532 2.366 20 70 FEIDRP CCC[C@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1CCOC ZINC000159660475 545971224 /nfs/dbraw/zinc/97/12/24/545971224.db2.gz UXUHJDWUXYBECV-KRWDZBQOSA-N 2 0 368.566 2.438 20 70 FEIDRP CN(Cc1nccn1Cc1ccccc1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000159708131 545974293 /nfs/dbraw/zinc/97/42/93/545974293.db2.gz FOPRUUSAAWCCTK-UHFFFAOYSA-N 2 0 360.425 2.126 20 70 FEIDRP CC(C)N(CC[NH+](C)C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000159512544 326933980 /nfs/dbraw/zinc/93/39/80/326933980.db2.gz ILJKRBYKGOUJLA-UHFFFAOYSA-N 2 0 368.566 2.251 20 70 FEIDRP CC1CC[NH+](CCNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000159518572 326934073 /nfs/dbraw/zinc/93/40/73/326934073.db2.gz MOOYEMNHFYJNSF-UHFFFAOYSA-N 2 0 373.541 2.353 20 70 FEIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000161234889 326992715 /nfs/dbraw/zinc/99/27/15/326992715.db2.gz INYFZOSJCMRLPS-VQIMIIECSA-N 2 0 359.518 2.343 20 70 FEIDRP CC[N@H+](C)[C@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC000159998365 545997974 /nfs/dbraw/zinc/99/79/74/545997974.db2.gz QDTWBQFMIAIKTF-IBGZPJMESA-N 2 0 361.530 2.496 20 70 FEIDRP Cc1nccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261579 546023221 /nfs/dbraw/zinc/02/32/21/546023221.db2.gz PICNOGZIIZQKSJ-GOSISDBHSA-N 2 0 372.444 2.023 20 70 FEIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161185017 546108102 /nfs/dbraw/zinc/10/81/02/546108102.db2.gz ZKPBFALUAWXSAU-KRWDZBQOSA-N 2 0 359.518 2.344 20 70 FEIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000161259545 546114312 /nfs/dbraw/zinc/11/43/12/546114312.db2.gz QOLJZCBZNAXXFI-AHRSYUTCSA-N 2 0 371.529 2.485 20 70 FEIDRP C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000160145064 326955000 /nfs/dbraw/zinc/95/50/00/326955000.db2.gz URJVNOLEDGXFOR-GJZGRUSLSA-N 2 0 353.532 2.366 20 70 FEIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000160213404 326957372 /nfs/dbraw/zinc/95/73/72/326957372.db2.gz KDWOFTALCFZZIG-MRXNPFEDSA-N 2 0 360.502 2.320 20 70 FEIDRP CC[C@H](COC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000161437038 546129824 /nfs/dbraw/zinc/12/98/24/546129824.db2.gz WPLOTEPDEHRAMH-NEWSRXKRSA-N 2 0 368.566 2.390 20 70 FEIDRP Cn1ncc2c1CCC[C@@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159361360 545946199 /nfs/dbraw/zinc/94/61/99/545946199.db2.gz POPPUUIDLCKHCE-FQEVSTJZSA-N 2 0 353.514 2.205 20 70 FEIDRP CCC[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1CCOC ZINC000159660333 545971117 /nfs/dbraw/zinc/97/11/17/545971117.db2.gz UXUHJDWUXYBECV-QGZVFWFLSA-N 2 0 368.566 2.438 20 70 FEIDRP CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000159593733 545965412 /nfs/dbraw/zinc/96/54/12/545965412.db2.gz NWTBNSIFWHLACS-MSOLQXFVSA-N 2 0 360.502 2.132 20 70 FEIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000160265832 546024961 /nfs/dbraw/zinc/02/49/61/546024961.db2.gz KKVZOCUYNRAQTE-QGZVFWFLSA-N 2 0 358.530 2.490 20 70 FEIDRP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000160320638 546029740 /nfs/dbraw/zinc/02/97/40/546029740.db2.gz HBTVUVHPKYMINE-ZWKOTPCHSA-N 2 0 354.539 2.003 20 70 FEIDRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160638291 546059013 /nfs/dbraw/zinc/05/90/13/546059013.db2.gz ZNXSVQWIHLHRKI-QGZVFWFLSA-N 2 0 360.502 2.370 20 70 FEIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000159817512 545983285 /nfs/dbraw/zinc/98/32/85/545983285.db2.gz VGPUTVCIRGGPLQ-HXUWFJFHSA-N 2 0 358.530 2.288 20 70 FEIDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000217034704 548679743 /nfs/dbraw/zinc/67/97/43/548679743.db2.gz QQTRYTPJQPWQKL-CEXWTWQISA-N 2 0 368.566 2.440 20 70 FEIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000161264389 326993806 /nfs/dbraw/zinc/99/38/06/326993806.db2.gz JKCUHODWEZFCTG-FXAWDEMLSA-N 2 0 371.529 2.487 20 70 FEIDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1ncccn1 ZINC000160026040 546000510 /nfs/dbraw/zinc/00/05/10/546000510.db2.gz XNZAWTPLIPKADJ-MRXNPFEDSA-N 2 0 368.485 2.437 20 70 FEIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000161342481 326996279 /nfs/dbraw/zinc/99/62/79/326996279.db2.gz BCLRDLZFGXFUMR-XLIONFOSSA-N 2 0 369.513 2.263 20 70 FEIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000159936194 545993392 /nfs/dbraw/zinc/99/33/92/545993392.db2.gz PJXZGEBIIYNWIK-HOJAQTOUSA-N 2 0 356.514 2.387 20 70 FEIDRP C[NH+](C)C1CCN(CC[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000160156885 546012596 /nfs/dbraw/zinc/01/25/96/546012596.db2.gz IPVRZRRLHUNBNE-UHFFFAOYSA-N 2 0 362.537 2.406 20 70 FEIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000161234531 326992831 /nfs/dbraw/zinc/99/28/31/326992831.db2.gz INYFZOSJCMRLPS-LPHOPBHVSA-N 2 0 359.518 2.343 20 70 FEIDRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000159385556 545948567 /nfs/dbraw/zinc/94/85/67/545948567.db2.gz GKTDSXMSEWYJHN-QGZVFWFLSA-N 2 0 362.543 2.123 20 70 FEIDRP C[N@H+](CCN1CCN(C[C@@H]2CCCC[NH+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554190 545962478 /nfs/dbraw/zinc/96/24/78/545962478.db2.gz DIVMGRGJTBRHSS-NRFANRHFSA-N 2 0 362.537 2.359 20 70 FEIDRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C[NH+]1CCCC1 ZINC000160094153 546007049 /nfs/dbraw/zinc/00/70/49/546007049.db2.gz SWSAIUAWHYQHQV-GOSISDBHSA-N 2 0 373.541 2.353 20 70 FEIDRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160441762 546041014 /nfs/dbraw/zinc/04/10/14/546041014.db2.gz QNIVNEOSFXVWGY-GOSISDBHSA-N 2 0 371.529 2.424 20 70 FEIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000161259434 546114376 /nfs/dbraw/zinc/11/43/76/546114376.db2.gz QOLJZCBZNAXXFI-DBVUQKKJSA-N 2 0 371.529 2.485 20 70 FEIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000160228374 326957917 /nfs/dbraw/zinc/95/79/17/326957917.db2.gz KXYRFMYJXLJBGN-KRWDZBQOSA-N 2 0 358.530 2.490 20 70 FEIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000159817378 545983227 /nfs/dbraw/zinc/98/32/27/545983227.db2.gz VGPUTVCIRGGPLQ-FQEVSTJZSA-N 2 0 358.530 2.288 20 70 FEIDRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)[nH+]1 ZINC000160092426 546006839 /nfs/dbraw/zinc/00/68/39/546006839.db2.gz CEQAASSUKADWKN-SJLPKXTDSA-N 2 0 368.485 2.053 20 70 FEIDRP COc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC000160204357 546017081 /nfs/dbraw/zinc/01/70/81/546017081.db2.gz YZVQKRIJDZGNHF-OAHLLOKOSA-N 2 0 365.518 2.389 20 70 FEIDRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159608872 545967112 /nfs/dbraw/zinc/96/71/12/545967112.db2.gz UFHGJFHOTILCMJ-LMNJBCLMSA-N 2 0 373.541 2.249 20 70 FEIDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000217034744 548680558 /nfs/dbraw/zinc/68/05/58/548680558.db2.gz QQTRYTPJQPWQKL-OTWHNJEPSA-N 2 0 368.566 2.440 20 70 FEIDRP C[NH+](C)CCCC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000160195532 326956927 /nfs/dbraw/zinc/95/69/27/326956927.db2.gz QFXVOKKUQYYPMX-NRFANRHFSA-N 3 0 374.573 2.459 20 70 FEIDRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000160286243 546026196 /nfs/dbraw/zinc/02/61/96/546026196.db2.gz MVZYHDBDOJEMKI-YJBOKZPZSA-N 2 0 369.465 2.485 20 70 FEIDRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000161185534 326991115 /nfs/dbraw/zinc/99/11/15/326991115.db2.gz MLUOWUDSCXYEKX-UHFFFAOYSA-N 2 0 367.484 2.462 20 70 FEIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000159942550 545994170 /nfs/dbraw/zinc/99/41/70/545994170.db2.gz GTRHAPBQVGSIAM-XEYPJELSSA-N 2 0 358.530 2.489 20 70 FEIDRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160664878 546061278 /nfs/dbraw/zinc/06/12/78/546061278.db2.gz OITXXOWLBQWKEM-LSDHHAIUSA-N 2 0 368.909 2.279 20 70 FEIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(NC(C)=O)CC3)cc2)CC1 ZINC000161301868 546118499 /nfs/dbraw/zinc/11/84/99/546118499.db2.gz RTQZDJAVGLIIIL-UHFFFAOYSA-N 2 0 372.557 2.361 20 70 FEIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000160265722 326959770 /nfs/dbraw/zinc/95/97/70/326959770.db2.gz KKVZOCUYNRAQTE-KRWDZBQOSA-N 2 0 358.530 2.490 20 70 FEIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000161234653 326992796 /nfs/dbraw/zinc/99/27/96/326992796.db2.gz INYFZOSJCMRLPS-APWZRJJASA-N 2 0 359.518 2.343 20 70 FEIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000161264512 326993724 /nfs/dbraw/zinc/99/37/24/326993724.db2.gz JKCUHODWEZFCTG-YLJYHZDGSA-N 2 0 371.529 2.487 20 70 FEIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c3cnn4C)cn2)CC1 ZINC000159539015 545961883 /nfs/dbraw/zinc/96/18/83/545961883.db2.gz NTRJBRBLFAHKDE-SFHVURJKSA-N 2 0 354.502 2.124 20 70 FEIDRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000159772167 545979260 /nfs/dbraw/zinc/97/92/60/545979260.db2.gz ZSUJKFKYQISMQG-UHFFFAOYSA-N 2 0 358.530 2.306 20 70 FEIDRP CN(c1ccccc1C[NH+]1CCC(CC(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000159793802 545980317 /nfs/dbraw/zinc/98/03/17/545980317.db2.gz MVBLWYRHNJQXTI-UHFFFAOYSA-N 2 0 358.530 2.304 20 70 FEIDRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007796 545999132 /nfs/dbraw/zinc/99/91/32/545999132.db2.gz UWEMUBSIDOLNGB-DFQSSKMNSA-N 2 0 358.530 2.490 20 70 FEIDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000160025898 546001189 /nfs/dbraw/zinc/00/11/89/546001189.db2.gz XNZAWTPLIPKADJ-INIZCTEOSA-N 2 0 368.485 2.437 20 70 FEIDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160785072 546072570 /nfs/dbraw/zinc/07/25/70/546072570.db2.gz HIEPWNDLKVUHIZ-RTBURBONSA-N 2 0 362.518 2.042 20 70 FEIDRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000160108805 326953524 /nfs/dbraw/zinc/95/35/24/326953524.db2.gz JCGPOVUPXYWMJY-QZTJIDSGSA-N 2 0 368.566 2.249 20 70 FEIDRP CC[N@H+](C)[C@@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC000159998515 545998036 /nfs/dbraw/zinc/99/80/36/545998036.db2.gz QDTWBQFMIAIKTF-LJQANCHMSA-N 2 0 361.530 2.496 20 70 FEIDRP COC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000160395644 546035912 /nfs/dbraw/zinc/03/59/12/546035912.db2.gz LBQCGXHXYQARSS-WOJBJXKFSA-N 2 0 355.482 2.383 20 70 FEIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000160157778 546012390 /nfs/dbraw/zinc/01/23/90/546012390.db2.gz SQRAAJKYLDYCBV-SFHVURJKSA-N 3 0 362.562 2.304 20 70 FEIDRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000160293232 546027626 /nfs/dbraw/zinc/02/76/26/546027626.db2.gz ZBTNHHZKHAQLKD-VQTJNVASSA-N 2 0 355.482 2.119 20 70 FEIDRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160582305 546053331 /nfs/dbraw/zinc/05/33/31/546053331.db2.gz MHSFCBFOZBSSHD-OAHLLOKOSA-N 2 0 359.470 2.071 20 70 FEIDRP Cc1csc(N2CCC([NH2+]CCCC[N@@H+]3CCC[C@H]3CO)CC2)n1 ZINC000160682903 546062668 /nfs/dbraw/zinc/06/26/68/546062668.db2.gz ZPTOZRIBMDLAPL-KRWDZBQOSA-N 2 0 352.548 2.247 20 70 FEIDRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160698156 546063662 /nfs/dbraw/zinc/06/36/62/546063662.db2.gz TZYXRYRHWPTNFE-IBGZPJMESA-N 2 0 371.525 2.105 20 70 FEIDRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1CC ZINC000160808202 546074579 /nfs/dbraw/zinc/07/45/79/546074579.db2.gz BPNFPZMEHCUIFI-QZTJIDSGSA-N 2 0 366.550 2.146 20 70 FEIDRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159541029 545961439 /nfs/dbraw/zinc/96/14/39/545961439.db2.gz GSHQNOIRVBZWBM-GOSISDBHSA-N 2 0 373.541 2.495 20 70 FEIDRP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000159542613 545961802 /nfs/dbraw/zinc/96/18/02/545961802.db2.gz ABGIOALSBAWZAW-GOSISDBHSA-N 2 0 373.541 2.353 20 70 FEIDRP O=C(NCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159536768 545961852 /nfs/dbraw/zinc/96/18/52/545961852.db2.gz IYJCTDGRRACNNM-UHFFFAOYSA-N 2 0 359.514 2.107 20 70 FEIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000159957575 545994437 /nfs/dbraw/zinc/99/44/37/545994437.db2.gz QNIQGOYSOSBPDD-RLLQIKCJSA-N 2 0 358.530 2.490 20 70 FEIDRP Cc1nccn1CCC[N@@H+](C)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261730 546022196 /nfs/dbraw/zinc/02/21/96/546022196.db2.gz PICNOGZIIZQKSJ-SFHVURJKSA-N 2 0 372.444 2.023 20 70 FEIDRP CC[N@H+](Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1)C(C)C ZINC000160268831 546024447 /nfs/dbraw/zinc/02/44/47/546024447.db2.gz OTGUWTXFCUONCZ-FQEVSTJZSA-N 2 0 361.530 2.494 20 70 FEIDRP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)n1 ZINC000161233093 546111997 /nfs/dbraw/zinc/11/19/97/546111997.db2.gz AFZZWGXJPTVKDY-CQSZACIVSA-N 2 0 355.486 2.236 20 70 FEIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnc(C)nc3C)cn2)CC1 ZINC000159492452 326933267 /nfs/dbraw/zinc/93/32/67/326933267.db2.gz WPRGHYAXVWXMTH-OAHLLOKOSA-N 2 0 354.502 2.481 20 70 FEIDRP CC[N@@H+]1CCCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000159959026 545994589 /nfs/dbraw/zinc/99/45/89/545994589.db2.gz FDSUFBFUOSGWHZ-UHFFFAOYSA-N 2 0 366.550 2.006 20 70 FEIDRP COc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC000160204248 546016412 /nfs/dbraw/zinc/01/64/12/546016412.db2.gz YZVQKRIJDZGNHF-HNNXBMFYSA-N 2 0 365.518 2.389 20 70 FEIDRP Cc1nn(C)cc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000160296635 546026699 /nfs/dbraw/zinc/02/66/99/546026699.db2.gz DIDPQNCKUJHESX-UHFFFAOYSA-N 2 0 355.530 2.416 20 70 FEIDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160785184 546072194 /nfs/dbraw/zinc/07/21/94/546072194.db2.gz HIEPWNDLKVUHIZ-RBUKOAKNSA-N 2 0 362.518 2.042 20 70 FEIDRP C[NH+](C)CCCC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000160195682 326956891 /nfs/dbraw/zinc/95/68/91/326956891.db2.gz QFXVOKKUQYYPMX-OAQYLSRUSA-N 3 0 374.573 2.459 20 70 FEIDRP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159541162 545961702 /nfs/dbraw/zinc/96/17/02/545961702.db2.gz GSHQNOIRVBZWBM-SFHVURJKSA-N 2 0 373.541 2.495 20 70 FEIDRP CCC[C@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000159825292 545984349 /nfs/dbraw/zinc/98/43/49/545984349.db2.gz RMNHYEBDANZJLK-SFHVURJKSA-N 2 0 354.539 2.002 20 70 FEIDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007665 546000046 /nfs/dbraw/zinc/00/00/46/546000046.db2.gz UWEMUBSIDOLNGB-YSIASYRMSA-N 2 0 358.530 2.490 20 70 FEIDRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160657912 546060198 /nfs/dbraw/zinc/06/01/98/546060198.db2.gz IPNBOPNTLROJHF-LJQANCHMSA-N 2 0 362.493 2.383 20 70 FEIDRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160691494 546064138 /nfs/dbraw/zinc/06/41/38/546064138.db2.gz SENBQLOTSNASGL-LJQANCHMSA-N 2 0 362.493 2.383 20 70 FEIDRP CCC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1CCOC ZINC000160701037 546064618 /nfs/dbraw/zinc/06/46/18/546064618.db2.gz AOIWATGCRSMRRQ-GOSISDBHSA-N 2 0 368.566 2.392 20 70 FEIDRP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000160794631 546073607 /nfs/dbraw/zinc/07/36/07/546073607.db2.gz JBAYDAXXFCQSDA-SFHVURJKSA-N 2 0 359.518 2.424 20 70 FEIDRP CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000161122855 326988688 /nfs/dbraw/zinc/98/86/88/326988688.db2.gz JNSJINYHCFMXCB-UHFFFAOYSA-N 2 0 358.530 2.047 20 70 FEIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000159817081 545982579 /nfs/dbraw/zinc/98/25/79/545982579.db2.gz YFFMGIXHLBLLDR-UHFFFAOYSA-N 2 0 362.518 2.254 20 70 FEIDRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C1CC1 ZINC000160145347 546011362 /nfs/dbraw/zinc/01/13/62/546011362.db2.gz URJVNOLEDGXFOR-CABCVRRESA-N 2 0 353.532 2.366 20 70 FEIDRP CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000159594118 545965510 /nfs/dbraw/zinc/96/55/10/545965510.db2.gz NWTBNSIFWHLACS-ZWKOTPCHSA-N 2 0 360.502 2.132 20 70 FEIDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000160051502 546003568 /nfs/dbraw/zinc/00/35/68/546003568.db2.gz HNXOGTMJNQKKNI-MJGOQNOKSA-N 2 0 374.529 2.304 20 70 FEIDRP CCC[C@@H]1CN(C(=O)NCC2CC[NH+](CCC)CC2)CC[N@@H+]1CCOC ZINC000161413274 546128529 /nfs/dbraw/zinc/12/85/29/546128529.db2.gz LTPGMSAQXMEYIB-LJQANCHMSA-N 2 0 368.566 2.251 20 70 FEIDRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnc1 ZINC000159384701 545949092 /nfs/dbraw/zinc/94/90/92/545949092.db2.gz ASTICZBPESUJSP-HOJAQTOUSA-N 2 0 369.513 2.185 20 70 FEIDRP CC[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000159673764 545971968 /nfs/dbraw/zinc/97/19/68/545971968.db2.gz XGXTYFMIQSDRJV-UHFFFAOYSA-N 2 0 354.564 2.085 20 70 FEIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000160960433 546087737 /nfs/dbraw/zinc/08/77/37/546087737.db2.gz RXQDUYBCHOHCHL-HXUWFJFHSA-N 2 0 373.545 2.419 20 70 FEIDRP CC[C@H](COC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000161436782 546129081 /nfs/dbraw/zinc/12/90/81/546129081.db2.gz WPLOTEPDEHRAMH-NZSAHSFTSA-N 2 0 368.566 2.390 20 70 FEIDRP C[N@H+](CCN1CCN(C[C@H]2CCCC[NH+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554034 545962397 /nfs/dbraw/zinc/96/23/97/545962397.db2.gz DIVMGRGJTBRHSS-OAQYLSRUSA-N 2 0 362.537 2.359 20 70 FEIDRP CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000159593865 545965530 /nfs/dbraw/zinc/96/55/30/545965530.db2.gz NWTBNSIFWHLACS-QZTJIDSGSA-N 2 0 360.502 2.132 20 70 FEIDRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000159628299 545968520 /nfs/dbraw/zinc/96/85/20/545968520.db2.gz XFGHVXLSXZDIMW-INIZCTEOSA-N 2 0 371.497 2.292 20 70 FEIDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160249514 546020943 /nfs/dbraw/zinc/02/09/43/546020943.db2.gz FBHODYGKOXMIKY-UHFFFAOYSA-N 2 0 369.513 2.383 20 70 FEIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000161264135 546114946 /nfs/dbraw/zinc/11/49/46/546114946.db2.gz JKCUHODWEZFCTG-PXNSSMCTSA-N 2 0 371.529 2.487 20 70 FEIDRP C[C@H]1C[NH+](CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000160108676 326953502 /nfs/dbraw/zinc/95/35/02/326953502.db2.gz JCGPOVUPXYWMJY-ROUUACIJSA-N 2 0 368.566 2.249 20 70 FEIDRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000160286498 326960296 /nfs/dbraw/zinc/96/02/96/326960296.db2.gz MVZYHDBDOJEMKI-MAUKXSAKSA-N 2 0 369.465 2.485 20 70 FEIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000159964006 545996294 /nfs/dbraw/zinc/99/62/94/545996294.db2.gz AYTNONGOWNQTMJ-HOJAQTOUSA-N 2 0 354.498 2.163 20 70 FEIDRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@H](CCC)C2)CC1 ZINC000161426915 546129768 /nfs/dbraw/zinc/12/97/68/546129768.db2.gz XJEOALMJBPLQOH-LJQANCHMSA-N 2 0 368.566 2.393 20 70 FEIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000161342386 326996339 /nfs/dbraw/zinc/99/63/39/326996339.db2.gz BCLRDLZFGXFUMR-PXNSSMCTSA-N 2 0 369.513 2.263 20 70 FEIDRP CCC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000159825145 545984212 /nfs/dbraw/zinc/98/42/12/545984212.db2.gz RMNHYEBDANZJLK-GOSISDBHSA-N 2 0 354.539 2.002 20 70 FEIDRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000160698239 546063896 /nfs/dbraw/zinc/06/38/96/546063896.db2.gz TZYXRYRHWPTNFE-LJQANCHMSA-N 2 0 371.525 2.105 20 70 FEIDRP C[C@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)N1CCc2ccccc2C1 ZINC000160254552 546022343 /nfs/dbraw/zinc/02/23/43/546022343.db2.gz QOVSAFOPWYULOY-GOSISDBHSA-N 2 0 373.541 2.250 20 70 FEIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000161175682 546107254 /nfs/dbraw/zinc/10/72/54/546107254.db2.gz PIOIJZARJBEJEQ-YLJYHZDGSA-N 2 0 371.529 2.487 20 70 FEIDRP CCC[C@H]1CN(C(=O)NCC2CC[NH+](CCC)CC2)CC[N@@H+]1CCOC ZINC000161413452 546128348 /nfs/dbraw/zinc/12/83/48/546128348.db2.gz LTPGMSAQXMEYIB-IBGZPJMESA-N 2 0 368.566 2.251 20 70 FEIDRP CC[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000159853576 545985756 /nfs/dbraw/zinc/98/57/56/545985756.db2.gz PRSPFCOTWCMGGB-UHFFFAOYSA-N 2 0 368.591 2.475 20 70 FEIDRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000160187546 546015433 /nfs/dbraw/zinc/01/54/33/546015433.db2.gz SNVIHXIHFSYSBD-HXUWFJFHSA-N 2 0 359.514 2.248 20 70 FEIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000160213244 326957269 /nfs/dbraw/zinc/95/72/69/326957269.db2.gz KDWOFTALCFZZIG-INIZCTEOSA-N 2 0 360.502 2.320 20 70 FEIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000160228504 546018497 /nfs/dbraw/zinc/01/84/97/546018497.db2.gz KXYRFMYJXLJBGN-QGZVFWFLSA-N 2 0 358.530 2.490 20 70 FEIDRP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000161031862 326985641 /nfs/dbraw/zinc/98/56/41/326985641.db2.gz FWGNSNSGKVBQEE-UHFFFAOYSA-N 2 0 359.514 2.180 20 70 FEIDRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnc1 ZINC000159384815 545948461 /nfs/dbraw/zinc/94/84/61/545948461.db2.gz ASTICZBPESUJSP-IHPCNDPISA-N 2 0 369.513 2.185 20 70 FEIDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)cccc1C ZINC000159532552 545961359 /nfs/dbraw/zinc/96/13/59/545961359.db2.gz WTHGWRHHQRELIO-GOSISDBHSA-N 2 0 374.529 2.116 20 70 FEIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160709730 546064664 /nfs/dbraw/zinc/06/46/64/546064664.db2.gz CXDYPRHZQXWEEJ-GDBMZVCRSA-N 2 0 372.506 2.117 20 70 FEIDRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160749343 546069094 /nfs/dbraw/zinc/06/90/94/546069094.db2.gz CCKCDVGIQGENHM-NRSPTQNISA-N 2 0 360.546 2.119 20 70 FEIDRP Cc1c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cnn1CC(C)C ZINC000161144827 546103802 /nfs/dbraw/zinc/10/38/02/546103802.db2.gz IJQJHPUACRZYQQ-UHFFFAOYSA-N 2 0 361.534 2.136 20 70 FEIDRP COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1NC(C)=O ZINC000160250649 326959174 /nfs/dbraw/zinc/95/91/74/326959174.db2.gz YJNHACLLLURVQO-OAHLLOKOSA-N 2 0 362.518 2.330 20 70 FEIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000159942414 545993594 /nfs/dbraw/zinc/99/35/94/545993594.db2.gz GTRHAPBQVGSIAM-CUDHKJQZSA-N 2 0 358.530 2.489 20 70 FEIDRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](CCO)c1ccccc1)c1ccccc1 ZINC000160293351 546026683 /nfs/dbraw/zinc/02/66/83/546026683.db2.gz ZBTNHHZKHAQLKD-UXHICEINSA-N 2 0 355.482 2.119 20 70 FEIDRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000160286374 326960260 /nfs/dbraw/zinc/96/02/60/326960260.db2.gz MVZYHDBDOJEMKI-QAPCUYQASA-N 2 0 369.465 2.485 20 70 FEIDRP Cn1ncc2c1CCC[C@H]2[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159361196 545946861 /nfs/dbraw/zinc/94/68/61/545946861.db2.gz POPPUUIDLCKHCE-HXUWFJFHSA-N 2 0 353.514 2.205 20 70 FEIDRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000160108550 546007622 /nfs/dbraw/zinc/00/76/22/546007622.db2.gz JCGPOVUPXYWMJY-HDICACEKSA-N 2 0 368.566 2.249 20 70 FEIDRP CCC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000160320777 546029286 /nfs/dbraw/zinc/02/92/86/546029286.db2.gz HBTVUVHPKYMINE-ROUUACIJSA-N 2 0 354.539 2.003 20 70 FEIDRP C[NH+](C)C1CCN(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000160268614 326959772 /nfs/dbraw/zinc/95/97/72/326959772.db2.gz BQMMCMFYYAIGDD-UHFFFAOYSA-N 2 0 370.541 2.435 20 70 FEIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000160960569 546087620 /nfs/dbraw/zinc/08/76/20/546087620.db2.gz RXQDUYBCHOHCHL-FQEVSTJZSA-N 2 0 373.545 2.419 20 70 FEIDRP CN(CC[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000161179694 546107039 /nfs/dbraw/zinc/10/70/39/546107039.db2.gz MFIHARGSRVYJFA-UHFFFAOYSA-N 2 0 366.594 2.229 20 70 FEIDRP COC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000160395267 326964335 /nfs/dbraw/zinc/96/43/35/326964335.db2.gz LBQCGXHXYQARSS-PMACEKPBSA-N 2 0 355.482 2.383 20 70 FEIDRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160441622 546041289 /nfs/dbraw/zinc/04/12/89/546041289.db2.gz QNIVNEOSFXVWGY-SFHVURJKSA-N 2 0 371.529 2.424 20 70 FEIDRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160761192 546070595 /nfs/dbraw/zinc/07/05/95/546070595.db2.gz GCZYQUFEZVSIHL-SFHVURJKSA-N 2 0 362.493 2.383 20 70 FEIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnc(C)nc3C)cn2)CC1 ZINC000159492266 326933275 /nfs/dbraw/zinc/93/32/75/326933275.db2.gz WPRGHYAXVWXMTH-HNNXBMFYSA-N 2 0 354.502 2.481 20 70 FEIDRP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1 ZINC000160369180 326963136 /nfs/dbraw/zinc/96/31/36/326963136.db2.gz CUYCMLHBRGMAIU-UHFFFAOYSA-N 2 0 353.470 2.147 20 70 FEIDRP COC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000160395528 326964133 /nfs/dbraw/zinc/96/41/33/326964133.db2.gz LBQCGXHXYQARSS-UXHICEINSA-N 2 0 355.482 2.383 20 70 FEIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000159957702 545994615 /nfs/dbraw/zinc/99/46/15/545994615.db2.gz QNIQGOYSOSBPDD-SXLOBPIMSA-N 2 0 358.530 2.490 20 70 FEIDRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000160286649 546025646 /nfs/dbraw/zinc/02/56/46/546025646.db2.gz MVZYHDBDOJEMKI-CRAIPNDOSA-N 2 0 369.465 2.485 20 70 FEIDRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000160293102 546026622 /nfs/dbraw/zinc/02/66/22/546026622.db2.gz ZBTNHHZKHAQLKD-PMACEKPBSA-N 2 0 355.482 2.119 20 70 FEIDRP O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000160124873 326954171 /nfs/dbraw/zinc/95/41/71/326954171.db2.gz ZWWBVXPHJLMLCC-UHFFFAOYSA-N 2 0 371.525 2.059 20 70 FEIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000160196140 326956913 /nfs/dbraw/zinc/95/69/13/326956913.db2.gz MNACGCBLFKHWSY-GOSISDBHSA-N 3 0 362.562 2.304 20 70 FEIDRP Cc1cccc(N2CC[NH+](CCC(=O)NCC3([NH3+])CCCCC3)CC2)c1 ZINC000159669956 545971392 /nfs/dbraw/zinc/97/13/92/545971392.db2.gz DUFPCEWCQHUADY-UHFFFAOYSA-N 2 0 358.530 2.285 20 70 FEIDRP NC(=O)N1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159709247 545974463 /nfs/dbraw/zinc/97/44/63/545974463.db2.gz HXWHAAJCDJTDHX-UHFFFAOYSA-N 2 0 374.529 2.190 20 70 FEIDRP CC[N@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000160133568 546009967 /nfs/dbraw/zinc/00/99/67/546009967.db2.gz PIAOWEHPBQCQQJ-HZPDHXFCSA-N 2 0 356.873 2.475 20 70 FEIDRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161032000 326985638 /nfs/dbraw/zinc/98/56/38/326985638.db2.gz VFHVGXMJXOQCQJ-UHFFFAOYSA-N 2 0 360.498 2.419 20 70 FEIDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)cccc1C ZINC000159532691 545961342 /nfs/dbraw/zinc/96/13/42/545961342.db2.gz WTHGWRHHQRELIO-SFHVURJKSA-N 2 0 374.529 2.116 20 70 FEIDRP CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NCCCOC ZINC000160019469 546000808 /nfs/dbraw/zinc/00/08/08/546000808.db2.gz IBXOTSPTZLSMJZ-QGZVFWFLSA-N 2 0 362.518 2.161 20 70 FEIDRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160582169 546054128 /nfs/dbraw/zinc/05/41/28/546054128.db2.gz MHSFCBFOZBSSHD-HNNXBMFYSA-N 2 0 359.470 2.071 20 70 FEIDRP FC(F)(F)COCCC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160698263 546064104 /nfs/dbraw/zinc/06/41/04/546064104.db2.gz ZWXVDLFBFYGZLV-UHFFFAOYSA-N 2 0 351.457 2.449 20 70 FEIDRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCC[NH2+]C1CCCCCC1 ZINC000159629456 326937289 /nfs/dbraw/zinc/93/72/89/326937289.db2.gz SXXYEEVCNVTYPX-UHFFFAOYSA-N 2 0 351.535 2.450 20 70 FEIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000160196006 326956875 /nfs/dbraw/zinc/95/68/75/326956875.db2.gz MNACGCBLFKHWSY-SFHVURJKSA-N 3 0 362.562 2.304 20 70 FEIDRP CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000159593989 545965219 /nfs/dbraw/zinc/96/52/19/545965219.db2.gz NWTBNSIFWHLACS-ROUUACIJSA-N 2 0 360.502 2.132 20 70 FEIDRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161185524 546108626 /nfs/dbraw/zinc/10/86/26/546108626.db2.gz METPAYZWITTXIU-UHFFFAOYSA-N 2 0 366.594 2.278 20 70 FEIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000161264265 546114919 /nfs/dbraw/zinc/11/49/19/546114919.db2.gz JKCUHODWEZFCTG-XLIONFOSSA-N 2 0 371.529 2.487 20 70 FEIDRP CC(=O)NC1CCC([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000161275148 546115920 /nfs/dbraw/zinc/11/59/20/546115920.db2.gz HACUVEFODAVYEK-LZBANZJXSA-N 2 0 372.557 2.402 20 70 FEIDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161302166 546118481 /nfs/dbraw/zinc/11/84/81/546118481.db2.gz VNEPKYWPQYUQDA-UHFFFAOYSA-N 2 0 372.557 2.361 20 70 FEIDRP