smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000010095994 1067081506 /nfs/dbraw/zinc/08/15/06/1067081506.db2.gz BJJYFMSOSPYJLU-UHFFFAOYSA-N 1 1 467.592 -1.141 20 0 JAADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000028899574 1067543378 /nfs/dbraw/zinc/54/33/78/1067543378.db2.gz ICXGIBNUYJOZSW-UHFFFAOYSA-N 1 1 467.592 -1.141 20 0 JAADMO Cn1c2ncn(CCC(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)c2c(=O)n(C)c1=O ZINC000029951622 1067095773 /nfs/dbraw/zinc/09/57/73/1067095773.db2.gz QESOOADPBMYHME-UHFFFAOYSA-N 1 1 455.523 -1.058 20 0 JAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000031159962 1067096374 /nfs/dbraw/zinc/09/63/74/1067096374.db2.gz RSXROYLTNXXCDC-UHFFFAOYSA-N 1 1 460.601 -1.119 20 0 JAADMO CNC(=O)CN1CCC(NC(=O)c2cccc(C(=O)NC3CC[NH+](CC(=O)NC)CC3)n2)CC1 ZINC000031234941 1067543290 /nfs/dbraw/zinc/54/32/90/1067543290.db2.gz CESIPSISEUHBHK-UHFFFAOYSA-N 1 1 473.578 -1.038 20 0 JAADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)CC1 ZINC000481228422 1067060111 /nfs/dbraw/zinc/06/01/11/1067060111.db2.gz MDUGFMLKHBNSBA-INIZCTEOSA-N 1 1 453.521 -1.336 20 0 JAADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)CC1 ZINC000481228422 1067060094 /nfs/dbraw/zinc/06/00/94/1067060094.db2.gz MDUGFMLKHBNSBA-INIZCTEOSA-N 1 1 453.521 -1.336 20 0 JAADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)CC1 ZINC000481228441 1067059606 /nfs/dbraw/zinc/05/96/06/1067059606.db2.gz MDUGFMLKHBNSBA-MRXNPFEDSA-N 1 1 453.521 -1.336 20 0 JAADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)CC1 ZINC000481228441 1067059594 /nfs/dbraw/zinc/05/95/94/1067059594.db2.gz MDUGFMLKHBNSBA-MRXNPFEDSA-N 1 1 453.521 -1.336 20 0 JAADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c2)CC1 ZINC000481526826 1067060004 /nfs/dbraw/zinc/06/00/04/1067060004.db2.gz MOZIIOYVTXKFCQ-UHFFFAOYSA-N 1 1 461.566 -1.383 20 0 JAADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c2)CC1 ZINC000481526826 1067059990 /nfs/dbraw/zinc/05/99/90/1067059990.db2.gz MOZIIOYVTXKFCQ-UHFFFAOYSA-N 1 1 461.566 -1.383 20 0 JAADMO CN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000500785677 1067030054 /nfs/dbraw/zinc/03/00/54/1067030054.db2.gz HSBUCVQECOGJOS-HKUYNNGSSA-N 1 1 483.635 -1.281 20 0 JAADMO CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000500785678 1067030148 /nfs/dbraw/zinc/03/01/48/1067030148.db2.gz HSBUCVQECOGJOS-IEBWSBKVSA-N 1 1 483.635 -1.281 20 0 JAADMO CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000500785679 1067029994 /nfs/dbraw/zinc/02/99/94/1067029994.db2.gz HSBUCVQECOGJOS-MJGOQNOKSA-N 1 1 483.635 -1.281 20 0 JAADMO CN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000500785680 1067030104 /nfs/dbraw/zinc/03/01/04/1067030104.db2.gz HSBUCVQECOGJOS-PKOBYXMFSA-N 1 1 483.635 -1.281 20 0 JAADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC000501017028 1067031430 /nfs/dbraw/zinc/03/14/30/1067031430.db2.gz YOIBQJQCEAZEBB-UHFFFAOYSA-N 1 1 456.525 -1.442 20 0 JAADMO C[NH+]1CCN(C(=O)CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000501057088 1067031364 /nfs/dbraw/zinc/03/13/64/1067031364.db2.gz VHGLRGZLBJFWEA-UHFFFAOYSA-N 1 1 467.596 -1.003 20 0 JAADMO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000501059270 1067031329 /nfs/dbraw/zinc/03/13/29/1067031329.db2.gz MNPWHLGGXTZQIR-CALCHBBNSA-N 1 1 460.601 -1.168 20 0 JAADMO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000501059271 1067031462 /nfs/dbraw/zinc/03/14/62/1067031462.db2.gz MNPWHLGGXTZQIR-IAGOWNOFSA-N 1 1 460.601 -1.168 20 0 JAADMO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000501059272 1067031568 /nfs/dbraw/zinc/03/15/68/1067031568.db2.gz MNPWHLGGXTZQIR-IRXDYDNUSA-N 1 1 460.601 -1.168 20 0 JAADMO Cn1cnc2c1c(=O)n(CC(=O)NCC(=O)N1CC[NH+](Cc3ccccc3)CC1)c(=O)n2C ZINC000502958327 1067034112 /nfs/dbraw/zinc/03/41/12/1067034112.db2.gz HUFLZTQQRVSSTI-UHFFFAOYSA-N 1 1 453.503 -1.106 20 0 JAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000503267855 1067034579 /nfs/dbraw/zinc/03/45/79/1067034579.db2.gz XBAAHWRPJDQSCX-UHFFFAOYSA-N 1 1 452.556 -1.310 20 0 JAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000503285253 1067034901 /nfs/dbraw/zinc/03/49/01/1067034901.db2.gz QFBDZLCSSIHNAX-UHFFFAOYSA-N 1 1 473.644 -1.204 20 0 JAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000503310286 1067034760 /nfs/dbraw/zinc/03/47/60/1067034760.db2.gz KEIOGLXUDXOJRD-HOTGVXAUSA-N 1 1 460.601 -1.122 20 0 JAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000503310287 1067035126 /nfs/dbraw/zinc/03/51/26/1067035126.db2.gz KEIOGLXUDXOJRD-HZPDHXFCSA-N 1 1 460.601 -1.122 20 0 JAADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000503310288 1067035430 /nfs/dbraw/zinc/03/54/30/1067035430.db2.gz KEIOGLXUDXOJRD-IYBDPMFKSA-N 1 1 460.601 -1.122 20 0 JAADMO Cn1c2ncn(CC(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000503677251 1067035178 /nfs/dbraw/zinc/03/51/78/1067035178.db2.gz AUFWPWBASPAFIL-UHFFFAOYSA-N 1 1 453.503 -1.106 20 0 JAADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000511007347 1067019708 /nfs/dbraw/zinc/01/97/08/1067019708.db2.gz BBQVSUIRXXBERW-UHFFFAOYSA-N 1 1 480.591 -1.111 20 0 JAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000511556431 1067024989 /nfs/dbraw/zinc/02/49/89/1067024989.db2.gz UOCHEYVUNVIJHG-IBGZPJMESA-N 1 1 473.530 -1.080 20 0 JAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000511556432 1067025143 /nfs/dbraw/zinc/02/51/43/1067025143.db2.gz UOCHEYVUNVIJHG-LJQANCHMSA-N 1 1 473.530 -1.080 20 0 JAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000514336307 1067036941 /nfs/dbraw/zinc/03/69/41/1067036941.db2.gz WTMHAZOQMUFJPZ-UHFFFAOYSA-N 1 1 467.548 -1.074 20 0 JAADMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000514365403 1067037680 /nfs/dbraw/zinc/03/76/80/1067037680.db2.gz KYNYBOSGROGZPU-UHFFFAOYSA-N 1 1 453.521 -1.416 20 0 JAADMO COc1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000514373029 1067038308 /nfs/dbraw/zinc/03/83/08/1067038308.db2.gz FDHNMEHGNUFDMN-UHFFFAOYSA-N 1 1 497.574 -1.065 20 0 JAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000514374070 1067038683 /nfs/dbraw/zinc/03/86/83/1067038683.db2.gz HHBIOWUTSBSQMU-UHFFFAOYSA-N 1 1 474.562 -1.033 20 0 JAADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000514374214 1067038782 /nfs/dbraw/zinc/03/87/82/1067038782.db2.gz NBFXLPYQBKQRFH-KRWDZBQOSA-N 1 1 459.617 -1.607 20 0 JAADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000514374215 1067038589 /nfs/dbraw/zinc/03/85/89/1067038589.db2.gz NBFXLPYQBKQRFH-QGZVFWFLSA-N 1 1 459.617 -1.607 20 0 JAADMO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000514455560 1067039731 /nfs/dbraw/zinc/03/97/31/1067039731.db2.gz JXAXJHLLIFDSSP-UHFFFAOYSA-N 1 1 466.627 -1.135 20 0 JAADMO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000514455560 1067039715 /nfs/dbraw/zinc/03/97/15/1067039715.db2.gz JXAXJHLLIFDSSP-UHFFFAOYSA-N 1 1 466.627 -1.135 20 0 JAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514455720 1067039993 /nfs/dbraw/zinc/03/99/93/1067039993.db2.gz KVVDHYYWAYTHDJ-KRWDZBQOSA-N 1 1 460.601 -1.167 20 0 JAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514455721 1067039661 /nfs/dbraw/zinc/03/96/61/1067039661.db2.gz KVVDHYYWAYTHDJ-QGZVFWFLSA-N 1 1 460.601 -1.167 20 0 JAADMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514473385 1067040309 /nfs/dbraw/zinc/04/03/09/1067040309.db2.gz LDPWEYAQEBTGLM-GOSISDBHSA-N 1 1 459.613 -1.217 20 0 JAADMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514473385 1067040294 /nfs/dbraw/zinc/04/02/94/1067040294.db2.gz LDPWEYAQEBTGLM-GOSISDBHSA-N 1 1 459.613 -1.217 20 0 JAADMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514473386 1067040479 /nfs/dbraw/zinc/04/04/79/1067040479.db2.gz LDPWEYAQEBTGLM-SFHVURJKSA-N 1 1 459.613 -1.217 20 0 JAADMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000514473386 1067040463 /nfs/dbraw/zinc/04/04/63/1067040463.db2.gz LDPWEYAQEBTGLM-SFHVURJKSA-N 1 1 459.613 -1.217 20 0 JAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000514473949 1067040405 /nfs/dbraw/zinc/04/04/05/1067040405.db2.gz CFNJRFVQYBEMBG-INIZCTEOSA-N 1 1 450.540 -1.068 20 0 JAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000514473950 1067040532 /nfs/dbraw/zinc/04/05/32/1067040532.db2.gz CFNJRFVQYBEMBG-MRXNPFEDSA-N 1 1 450.540 -1.068 20 0 JAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000514480403 1067040832 /nfs/dbraw/zinc/04/08/32/1067040832.db2.gz UPYXOMNIWGAPTB-UHFFFAOYSA-N 1 1 450.540 -1.020 20 0 JAADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000514481673 1067041390 /nfs/dbraw/zinc/04/13/90/1067041390.db2.gz HLKRXTIRKHCKJS-UHFFFAOYSA-N 1 1 474.566 -1.299 20 0 JAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000515893506 1067042132 /nfs/dbraw/zinc/04/21/32/1067042132.db2.gz AHJGVKUBEURFKX-IBGZPJMESA-N 1 1 473.530 -1.034 20 0 JAADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000515893507 1067042427 /nfs/dbraw/zinc/04/24/27/1067042427.db2.gz AHJGVKUBEURFKX-LJQANCHMSA-N 1 1 473.530 -1.034 20 0 JAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000516018084 1067043211 /nfs/dbraw/zinc/04/32/11/1067043211.db2.gz VWJWRFRQTDJUAD-UHFFFAOYSA-N 1 1 467.548 -1.074 20 0 JAADMO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000516736220 1067045851 /nfs/dbraw/zinc/04/58/51/1067045851.db2.gz YFBDBNAWZULJLH-UHFFFAOYSA-N 1 1 480.591 -1.159 20 0 JAADMO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000517126773 1067046088 /nfs/dbraw/zinc/04/60/88/1067046088.db2.gz VMPYUKPUPLSYNC-UHFFFAOYSA-N 1 1 480.591 -1.159 20 0 JAADMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000517131019 1067045683 /nfs/dbraw/zinc/04/56/83/1067045683.db2.gz ZDLAEFUKJVMWAS-UHFFFAOYSA-N 1 1 497.574 -1.065 20 0 JAADMO CN(C)CC(=O)N1CCN(C(=O)CCSCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000517178280 1067046208 /nfs/dbraw/zinc/04/62/08/1067046208.db2.gz XATACMSNRYFGAN-UHFFFAOYSA-N 1 1 484.667 -1.035 20 0 JAADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)CC1 ZINC000517860300 1067047225 /nfs/dbraw/zinc/04/72/25/1067047225.db2.gz URKHKOTXCAZSOM-UHFFFAOYSA-N 1 1 470.530 -1.038 20 0 JAADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000518078617 1067047553 /nfs/dbraw/zinc/04/75/53/1067047553.db2.gz GFBOLQCAPUNDHZ-UHFFFAOYSA-N 1 1 480.547 -1.974 20 0 JAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000522442261 1067053003 /nfs/dbraw/zinc/05/30/03/1067053003.db2.gz HZYUXPHQIUMPSS-GOSISDBHSA-N 1 1 473.644 -1.252 20 0 JAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000522442262 1067053193 /nfs/dbraw/zinc/05/31/93/1067053193.db2.gz HZYUXPHQIUMPSS-SFHVURJKSA-N 1 1 473.644 -1.252 20 0 JAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000523626908 1067055076 /nfs/dbraw/zinc/05/50/76/1067055076.db2.gz XABLPIRBUMZSBL-KRWDZBQOSA-N 1 1 452.556 -1.358 20 0 JAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000523626909 1067054807 /nfs/dbraw/zinc/05/48/07/1067054807.db2.gz XABLPIRBUMZSBL-QGZVFWFLSA-N 1 1 452.556 -1.358 20 0 JAADMO CN(C)CC(=O)N1CCN(C(=O)CSCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000534523982 1067070361 /nfs/dbraw/zinc/07/03/61/1067070361.db2.gz CBHYWSMYUSXWFZ-UHFFFAOYSA-N 1 1 456.613 -1.816 20 0 JAADMO CN(C)CC(=O)N1CCN(C(=O)c2cncc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)c2)CC1 ZINC000552525141 1067058607 /nfs/dbraw/zinc/05/86/07/1067058607.db2.gz GACOCMYAUXPOQT-UHFFFAOYSA-N 1 1 473.578 -1.226 20 0 JAADMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000553300333 1067058868 /nfs/dbraw/zinc/05/88/68/1067058868.db2.gz DZJWAWLVANDEDV-MOPGFXCFSA-N 1 1 453.584 -1.148 20 0 JAADMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000553300334 1067058980 /nfs/dbraw/zinc/05/89/80/1067058980.db2.gz DZJWAWLVANDEDV-OALUTQOASA-N 1 1 453.584 -1.148 20 0 JAADMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000553300335 1067058565 /nfs/dbraw/zinc/05/85/65/1067058565.db2.gz DZJWAWLVANDEDV-RBUKOAKNSA-N 1 1 453.584 -1.148 20 0 JAADMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000553300336 1067058743 /nfs/dbraw/zinc/05/87/43/1067058743.db2.gz DZJWAWLVANDEDV-RTBURBONSA-N 1 1 453.584 -1.148 20 0 JAADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000587980828 1067063221 /nfs/dbraw/zinc/06/32/21/1067063221.db2.gz VZHQHNJIVSLFME-HNNXBMFYSA-N 1 1 459.507 -1.370 20 0 JAADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000587980829 1067062919 /nfs/dbraw/zinc/06/29/19/1067062919.db2.gz VZHQHNJIVSLFME-OAHLLOKOSA-N 1 1 459.507 -1.370 20 0 JAADMO COCC[N@@H+](C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000588981205 1067063637 /nfs/dbraw/zinc/06/36/37/1067063637.db2.gz BMRKDFWOSGJODX-UHFFFAOYSA-N 1 1 463.582 -1.072 20 0 JAADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000590643154 1067064650 /nfs/dbraw/zinc/06/46/50/1067064650.db2.gz KSVVCMKBVCQTNX-UHFFFAOYSA-N 1 1 480.591 -1.061 20 0 JAADMO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000591552945 1067065600 /nfs/dbraw/zinc/06/56/00/1067065600.db2.gz CZFSHGIFYPITCC-UHFFFAOYSA-N 1 1 472.550 -1.009 20 0 JAADMO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)cnc2n(C)c1=O ZINC000596525249 1067067030 /nfs/dbraw/zinc/06/70/30/1067067030.db2.gz WICJYHYPHUROQQ-UHFFFAOYSA-N 1 1 485.545 -1.027 20 0 JAADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)CC2)CC1 ZINC000612349906 1067022710 /nfs/dbraw/zinc/02/27/10/1067022710.db2.gz MAGKTKZGJCTMBF-UHFFFAOYSA-N 1 1 495.654 -1.192 20 0 JAADMO CN1CCN(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)CC1 ZINC000613415601 1067023807 /nfs/dbraw/zinc/02/38/07/1067023807.db2.gz JPBYXTRUXOFSIB-UHFFFAOYSA-N 1 1 466.612 -1.375 20 0 JAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000613417142 1067023844 /nfs/dbraw/zinc/02/38/44/1067023844.db2.gz LUQGLTUVXRTFOK-IBGZPJMESA-N 1 1 460.645 -1.431 20 0 JAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1 ZINC000613417143 1067023401 /nfs/dbraw/zinc/02/34/01/1067023401.db2.gz LUQGLTUVXRTFOK-LJQANCHMSA-N 1 1 460.645 -1.431 20 0 JAADMO Cn1c(=O)c2cc(NC(=O)C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cnc2n(C)c1=O ZINC000616319915 1067089509 /nfs/dbraw/zinc/08/95/09/1067089509.db2.gz MPEZIHJDHREMDQ-UHFFFAOYSA-N 1 1 481.517 -1.311 20 0 JAADMO CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000616333983 1067089633 /nfs/dbraw/zinc/08/96/33/1067089633.db2.gz CAFUCWSWJMENBN-UHFFFAOYSA-N 1 1 480.591 -1.112 20 0 JAADMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000616415466 1067090076 /nfs/dbraw/zinc/09/00/76/1067090076.db2.gz LITNWMQRDUCWMS-UHFFFAOYSA-N 1 1 455.537 -1.170 20 0 JAADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2)CC1 ZINC000616474385 1067089968 /nfs/dbraw/zinc/08/99/68/1067089968.db2.gz LGZNWOOKCFWRKF-UHFFFAOYSA-N 1 1 484.557 -1.109 20 0 JAADMO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000617518910 1067092059 /nfs/dbraw/zinc/09/20/59/1067092059.db2.gz DEGZAABSUMZMCF-UHFFFAOYSA-N 1 1 480.591 -1.108 20 0 JAADMO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000619807190 1067092517 /nfs/dbraw/zinc/09/25/17/1067092517.db2.gz LOQFBIPQYSDCMR-UHFFFAOYSA-N 1 1 466.564 -1.037 20 0 JAADMO CN(C)CC(=O)N1CCN(C(=O)c2cccc(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)n2)CC1 ZINC000620184420 1067092628 /nfs/dbraw/zinc/09/26/28/1067092628.db2.gz QNMPVMWFUPBVIM-UHFFFAOYSA-N 1 1 473.578 -1.226 20 0 JAADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000620832582 1067093148 /nfs/dbraw/zinc/09/31/48/1067093148.db2.gz OCAIDQIYPUQEMV-UHFFFAOYSA-N 1 1 496.590 -1.028 20 0 JAADMO CS(=O)(=O)N1CCN(CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000621701879 1067093056 /nfs/dbraw/zinc/09/30/56/1067093056.db2.gz DMRFLJJTKPALTM-UHFFFAOYSA-N 1 1 454.601 -1.135 20 0 JAADMO NC(=O)c1ccc(N2CCN(CC(O)C[NH+]3CCN(c4ccc(C(N)=O)cn4)CC3)CC2)nc1 ZINC000630343956 1067252347 /nfs/dbraw/zinc/25/23/47/1067252347.db2.gz ZAFPDIXPCOAVBT-UHFFFAOYSA-N 1 1 468.562 -1.021 20 0 JAADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000642000521 1067253143 /nfs/dbraw/zinc/25/31/43/1067253143.db2.gz ZPDONHGWKWDDTJ-UHFFFAOYSA-N 1 1 482.611 -1.107 20 0 JAADMO O=C(C[N@H+]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1)N1CCCC1 ZINC000642526732 1067254854 /nfs/dbraw/zinc/25/48/54/1067254854.db2.gz XPZBFLIOMCIAOQ-UHFFFAOYSA-N 1 1 464.611 -1.381 20 0 JAADMO O=C(C[N@@H+]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1)N1CCCC1 ZINC000642526732 1067254848 /nfs/dbraw/zinc/25/48/48/1067254848.db2.gz XPZBFLIOMCIAOQ-UHFFFAOYSA-N 1 1 464.611 -1.381 20 0 JAADMO CCS(=O)(=O)N(C)CCC[NH+](Cc1cc(=O)n(C)c(=O)n1C)Cc1cc(=O)n(C)c(=O)n1C ZINC000642576067 1067254912 /nfs/dbraw/zinc/25/49/12/1067254912.db2.gz AKGHHBIEGZPUBR-UHFFFAOYSA-N 1 1 484.579 -1.845 20 0 JAADMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1)N1CCOCC1 ZINC000659459689 1067024044 /nfs/dbraw/zinc/02/40/44/1067024044.db2.gz ZPRXFTMIJCGRBO-IBGZPJMESA-N 1 1 451.568 -1.440 20 0 JAADMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1)N1CCOCC1 ZINC000659459690 1067024113 /nfs/dbraw/zinc/02/41/13/1067024113.db2.gz ZPRXFTMIJCGRBO-LJQANCHMSA-N 1 1 451.568 -1.440 20 0 JAADMO COCCN(C(=O)CN(C)CC(=O)N1CC[NH+](C)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000679377521 1067258279 /nfs/dbraw/zinc/25/82/79/1067258279.db2.gz IINVYSZNBSNYMH-UHFFFAOYSA-N 1 1 467.571 -1.128 20 0 JAADMO CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000679378378 1067257932 /nfs/dbraw/zinc/25/79/32/1067257932.db2.gz NACACMSEIVQEJT-UHFFFAOYSA-N 1 1 495.602 -1.004 20 0 JAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000747928105 1067115112 /nfs/dbraw/zinc/11/51/12/1067115112.db2.gz OCCCJNNFUMOMLW-AWEZNQCLSA-N 1 1 450.496 -1.550 20 0 JAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000747928109 1067114787 /nfs/dbraw/zinc/11/47/87/1067114787.db2.gz OCCCJNNFUMOMLW-CQSZACIVSA-N 1 1 450.496 -1.550 20 0 JAADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000748113553 1067017613 /nfs/dbraw/zinc/01/76/13/1067017613.db2.gz IBGXADWKKTULPZ-UHFFFAOYSA-N 1 1 481.575 -1.280 20 0 JAADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748114074 1067017975 /nfs/dbraw/zinc/01/79/75/1067017975.db2.gz QPFPJXMZQVXYMH-UHFFFAOYSA-N 1 1 497.574 -1.201 20 0 JAADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000748114220 1067018141 /nfs/dbraw/zinc/01/81/41/1067018141.db2.gz UEBFSPVIDCVHKD-UHFFFAOYSA-N 1 1 467.548 -1.209 20 0 JAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000749556753 1067262119 /nfs/dbraw/zinc/26/21/19/1067262119.db2.gz AYWILTFOTIUCCY-AWEZNQCLSA-N 1 1 450.496 -1.550 20 0 JAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000749556757 1067261898 /nfs/dbraw/zinc/26/18/98/1067261898.db2.gz AYWILTFOTIUCCY-CQSZACIVSA-N 1 1 450.496 -1.550 20 0 JAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000756809809 1067264632 /nfs/dbraw/zinc/26/46/32/1067264632.db2.gz ZUZDAWGCSZRBSV-INIZCTEOSA-N 1 1 497.574 -1.397 20 0 JAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000756809814 1067264786 /nfs/dbraw/zinc/26/47/86/1067264786.db2.gz ZUZDAWGCSZRBSV-MRXNPFEDSA-N 1 1 497.574 -1.397 20 0 JAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000760962276 1067066537 /nfs/dbraw/zinc/06/65/37/1067066537.db2.gz WFUGLAGSFPGKJH-HNNXBMFYSA-N 1 1 464.523 -1.160 20 0 JAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000760962280 1067066176 /nfs/dbraw/zinc/06/61/76/1067066176.db2.gz WFUGLAGSFPGKJH-OAHLLOKOSA-N 1 1 464.523 -1.160 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2cc[nH+]c(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2)CC1 ZINC000784254754 1067265381 /nfs/dbraw/zinc/26/53/81/1067265381.db2.gz MREUFBYCQYYPQW-UHFFFAOYSA-N 1 1 474.566 -1.177 20 0 JAADMO CN(CC(=O)N1CCN(C)CC1)C(=O)CCSCCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000849191787 1067441813 /nfs/dbraw/zinc/44/18/13/1067441813.db2.gz VHYZTPUSALNCRA-UHFFFAOYSA-N 1 1 484.667 -1.035 20 0 JAADMO O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000920993574 1067088832 /nfs/dbraw/zinc/08/88/32/1067088832.db2.gz JTOXRJPALLHYPS-HNNXBMFYSA-N 1 1 454.640 -1.282 20 0 JAADMO O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000920993575 1067089027 /nfs/dbraw/zinc/08/90/27/1067089027.db2.gz JTOXRJPALLHYPS-OAHLLOKOSA-N 1 1 454.640 -1.282 20 0 JAADMO Cn1cc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC001115865918 1067265956 /nfs/dbraw/zinc/26/59/56/1067265956.db2.gz HCLZJWFRPGIXNC-UHFFFAOYSA-N 1 1 457.553 -1.677 20 0 JAADMO Cn1cc([C@@H]2[C@@H](C(=O)N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001136925041 1067117630 /nfs/dbraw/zinc/11/76/30/1067117630.db2.gz HSQBKSLDYFTBLS-VAMGGRTRSA-N 1 1 476.578 -1.013 20 0 JAADMO CS(=O)(=O)N1CCN(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC001136925412 1067117391 /nfs/dbraw/zinc/11/73/91/1067117391.db2.gz XIMMRLLKFDDXNZ-UHFFFAOYSA-N 1 1 459.613 -1.359 20 0 JAADMO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001141374850 1067267192 /nfs/dbraw/zinc/26/71/92/1067267192.db2.gz NNFIFKNEZIMFLX-DLBZAZTESA-N 1 1 458.581 -1.149 20 0 JAADMO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001141374854 1067267046 /nfs/dbraw/zinc/26/70/46/1067267046.db2.gz NNFIFKNEZIMFLX-IAGOWNOFSA-N 1 1 458.581 -1.149 20 0 JAADMO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001141374855 1067267360 /nfs/dbraw/zinc/26/73/60/1067267360.db2.gz NNFIFKNEZIMFLX-IRXDYDNUSA-N 1 1 458.581 -1.149 20 0 JAADMO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001141374857 1067267091 /nfs/dbraw/zinc/26/70/91/1067267091.db2.gz NNFIFKNEZIMFLX-SJORKVTESA-N 1 1 458.581 -1.149 20 0 JAADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)C1 ZINC001142384804 1067270464 /nfs/dbraw/zinc/27/04/64/1067270464.db2.gz LAFKLOPQZYXLDL-NRFANRHFSA-N 1 1 461.523 -1.879 20 0 JAADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)C1 ZINC001142384804 1067270449 /nfs/dbraw/zinc/27/04/49/1067270449.db2.gz LAFKLOPQZYXLDL-NRFANRHFSA-N 1 1 461.523 -1.879 20 0 JAADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)C1 ZINC001142384806 1067270714 /nfs/dbraw/zinc/27/07/14/1067270714.db2.gz LAFKLOPQZYXLDL-OAQYLSRUSA-N 1 1 461.523 -1.879 20 0 JAADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)C2)C1 ZINC001142384806 1067270701 /nfs/dbraw/zinc/27/07/01/1067270701.db2.gz LAFKLOPQZYXLDL-OAQYLSRUSA-N 1 1 461.523 -1.879 20 0 JAADMO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCN1CC[NH+](C)CC1)C(N)=O ZINC001143238177 1067275148 /nfs/dbraw/zinc/27/51/48/1067275148.db2.gz YRIIJVOQEKEBQA-IRXDYDNUSA-N 1 1 472.656 -1.006 20 0 JAADMO CN(C(=O)CNS(=O)(=O)c1cnn(C)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001144084451 1067120215 /nfs/dbraw/zinc/12/02/15/1067120215.db2.gz FTTZRVFXGVSQGC-UHFFFAOYSA-N 1 1 455.585 -1.605 20 0 JAADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2 ZINC001144893072 1067133724 /nfs/dbraw/zinc/13/37/24/1067133724.db2.gz BVKRLFJMEPESCS-CADBVGFASA-N 1 1 451.520 -1.445 20 0 JAADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2 ZINC001144893073 1067133958 /nfs/dbraw/zinc/13/39/58/1067133958.db2.gz BVKRLFJMEPESCS-INDMIFKZSA-N 1 1 451.520 -1.445 20 0 JAADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2 ZINC001144893074 1067133917 /nfs/dbraw/zinc/13/39/17/1067133917.db2.gz BVKRLFJMEPESCS-WJFTUGDTSA-N 1 1 451.520 -1.445 20 0 JAADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2 ZINC001144893075 1067133804 /nfs/dbraw/zinc/13/38/04/1067133804.db2.gz BVKRLFJMEPESCS-ZSYWTGECSA-N 1 1 451.520 -1.445 20 0 JAADMO O=C(C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896200 1067125727 /nfs/dbraw/zinc/12/57/27/1067125727.db2.gz QGYQEVAMUDNDQI-FXDCAWNPSA-N 1 1 477.558 -1.197 20 0 JAADMO O=C(C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896201 1067125636 /nfs/dbraw/zinc/12/56/36/1067125636.db2.gz QGYQEVAMUDNDQI-GUJLLPCUSA-N 1 1 477.558 -1.197 20 0 JAADMO O=C(C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896202 1067125671 /nfs/dbraw/zinc/12/56/71/1067125671.db2.gz QGYQEVAMUDNDQI-RSBOXOOMSA-N 1 1 477.558 -1.197 20 0 JAADMO O=C(C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896203 1067125775 /nfs/dbraw/zinc/12/57/75/1067125775.db2.gz QGYQEVAMUDNDQI-XFJGJFDASA-N 1 1 477.558 -1.197 20 0 JAADMO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2 ZINC001144899812 1067128565 /nfs/dbraw/zinc/12/85/65/1067128565.db2.gz OCQLJNLSJAAUPE-BMGDILEWSA-N 1 1 466.487 -1.663 20 0 JAADMO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2 ZINC001144899813 1067128843 /nfs/dbraw/zinc/12/88/43/1067128843.db2.gz OCQLJNLSJAAUPE-FHLIZLRMSA-N 1 1 466.487 -1.663 20 0 JAADMO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2 ZINC001144899814 1067129438 /nfs/dbraw/zinc/12/94/38/1067129438.db2.gz OCQLJNLSJAAUPE-JCGIZDLHSA-N 1 1 466.487 -1.663 20 0 JAADMO COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)N(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2 ZINC001144899815 1067129765 /nfs/dbraw/zinc/12/97/65/1067129765.db2.gz OCQLJNLSJAAUPE-ZTFGCOKTSA-N 1 1 466.487 -1.663 20 0 JAADMO COc1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1OCCC[NH+]1CCN(C)CC1 ZINC001144901230 1067129661 /nfs/dbraw/zinc/12/96/61/1067129661.db2.gz AESRGGXYVHWLFG-ATZDWAIDSA-N 1 1 455.508 -1.706 20 0 JAADMO COc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1OCCC[NH+]1CCN(C)CC1 ZINC001144901231 1067129808 /nfs/dbraw/zinc/12/98/08/1067129808.db2.gz AESRGGXYVHWLFG-AYOQOUSVSA-N 1 1 455.508 -1.706 20 0 JAADMO COc1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1OCCC[NH+]1CCN(C)CC1 ZINC001144901232 1067130397 /nfs/dbraw/zinc/13/03/97/1067130397.db2.gz AESRGGXYVHWLFG-KFKAGJAMSA-N 1 1 455.508 -1.706 20 0 JAADMO COc1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1OCCC[NH+]1CCN(C)CC1 ZINC001144901233 1067130531 /nfs/dbraw/zinc/13/05/31/1067130531.db2.gz AESRGGXYVHWLFG-ZYSHUDEJSA-N 1 1 455.508 -1.706 20 0 JAADMO CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CN[C@H]([NH3+])[C@H]5NCN[C@H]54)cc32)n1 ZINC001150065466 1067276614 /nfs/dbraw/zinc/27/66/14/1067276614.db2.gz KUOLYYGNKCCRJX-NWGLXNPWSA-N 1 1 475.579 -1.097 20 0 JAADMO CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CN[C@H]([NH3+])[C@@H]5NCN[C@@H]54)cc32)n1 ZINC001150065473 1067276382 /nfs/dbraw/zinc/27/63/82/1067276382.db2.gz KUOLYYGNKCCRJX-QSOKESPWSA-N 1 1 475.579 -1.097 20 0 JAADMO CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CN[C@H]([NH3+])[C@H]5NCN[C@@H]54)cc32)n1 ZINC001150065479 1067276363 /nfs/dbraw/zinc/27/63/63/1067276363.db2.gz KUOLYYGNKCCRJX-VYCZESIESA-N 1 1 475.579 -1.097 20 0 JAADMO CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CN[C@H]([NH3+])[C@@H]5NCN[C@H]54)cc32)n1 ZINC001150065485 1067276635 /nfs/dbraw/zinc/27/66/35/1067276635.db2.gz KUOLYYGNKCCRJX-WMEZAQDKSA-N 1 1 475.579 -1.097 20 0 JAADMO [NH3+][C@@H]1NCN(C(=O)c2ncn3c2CN(CC2CC2)S(=O)(=O)c2ccccc2-3)[C@H]2NCN[C@@H]21 ZINC001150238316 1067277209 /nfs/dbraw/zinc/27/72/09/1067277209.db2.gz XYFKOTUHLZFEGA-GUDVDZBRSA-N 1 1 458.548 -1.081 20 0 JAADMO [NH3+][C@@H]1NCN(C(=O)c2ncn3c2CN(CC2CC2)S(=O)(=O)c2ccccc2-3)[C@H]2NCN[C@H]21 ZINC001150238317 1067277033 /nfs/dbraw/zinc/27/70/33/1067277033.db2.gz XYFKOTUHLZFEGA-IPMKNSEASA-N 1 1 458.548 -1.081 20 0 JAADMO [NH3+][C@@H]1NCN(C(=O)c2ncn3c2CN(CC2CC2)S(=O)(=O)c2ccccc2-3)[C@@H]2NCN[C@H]21 ZINC001150238318 1067277336 /nfs/dbraw/zinc/27/73/36/1067277336.db2.gz XYFKOTUHLZFEGA-OTWHNJEPSA-N 1 1 458.548 -1.081 20 0 JAADMO [NH3+][C@@H]1NCN(C(=O)c2ncn3c2CN(CC2CC2)S(=O)(=O)c2ccccc2-3)[C@@H]2NCN[C@@H]21 ZINC001150238319 1067277089 /nfs/dbraw/zinc/27/70/89/1067277089.db2.gz XYFKOTUHLZFEGA-QRVBRYPASA-N 1 1 458.548 -1.081 20 0 JAADMO CN(C)C(=O)CN1Cc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)ncn2-c2ccccc2S1(=O)=O ZINC001150390104 1067277621 /nfs/dbraw/zinc/27/76/21/1067277621.db2.gz UCNBLLXPNLSFQL-CEXWTWQISA-N 1 1 489.562 -2.403 20 0 JAADMO CN(C)C(=O)CN1Cc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)ncn2-c2ccccc2S1(=O)=O ZINC001150390105 1067277872 /nfs/dbraw/zinc/27/78/72/1067277872.db2.gz UCNBLLXPNLSFQL-FHWLQOOXSA-N 1 1 489.562 -2.403 20 0 JAADMO CN(C)C(=O)CN1Cc2c(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)ncn2-c2ccccc2S1(=O)=O ZINC001150390106 1067277910 /nfs/dbraw/zinc/27/79/10/1067277910.db2.gz UCNBLLXPNLSFQL-GBESFXJTSA-N 1 1 489.562 -2.403 20 0 JAADMO CN(C)C(=O)CN1Cc2c(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)ncn2-c2ccccc2S1(=O)=O ZINC001150390107 1067277733 /nfs/dbraw/zinc/27/77/33/1067277733.db2.gz UCNBLLXPNLSFQL-QYZOEREBSA-N 1 1 489.562 -2.403 20 0 JAADMO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CN[C@H]([NH3+])[C@H]5NCN[C@H]54)cn32)C1 ZINC001150427837 1067278381 /nfs/dbraw/zinc/27/83/81/1067278381.db2.gz BGONFSUBJHJAEV-DNMXQMFDSA-N 1 1 457.543 -2.168 20 0 JAADMO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CN[C@H]([NH3+])[C@H]5NCN[C@@H]54)cn32)C1 ZINC001150427842 1067278318 /nfs/dbraw/zinc/27/83/18/1067278318.db2.gz BGONFSUBJHJAEV-JXSMBQFASA-N 1 1 457.543 -2.168 20 0 JAADMO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CN[C@H]([NH3+])[C@@H]5NCN[C@H]54)cn32)C1 ZINC001150427846 1067278181 /nfs/dbraw/zinc/27/81/81/1067278181.db2.gz BGONFSUBJHJAEV-MBGYTDRXSA-N 1 1 457.543 -2.168 20 0 JAADMO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CN[C@H]([NH3+])[C@@H]5NCN[C@@H]54)cn32)C1 ZINC001150427848 1067278296 /nfs/dbraw/zinc/27/82/96/1067278296.db2.gz BGONFSUBJHJAEV-OWIUFQIYSA-N 1 1 457.543 -2.168 20 0 JAADMO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001157082035 1067283203 /nfs/dbraw/zinc/28/32/03/1067283203.db2.gz GDZKRLQOAOGBQL-OWCBBSPXSA-N 1 1 484.529 -1.098 20 0 JAADMO Cc1cc(N2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)c2ccccc2[nH+]1 ZINC001157875283 1067284597 /nfs/dbraw/zinc/28/45/97/1067284597.db2.gz XWMUVOQNBGDPJB-UHFFFAOYSA-N 1 1 455.519 -1.501 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158137110 1067285301 /nfs/dbraw/zinc/28/53/01/1067285301.db2.gz DFWQHCVYTQMBDV-IBGZPJMESA-N 1 1 488.589 -1.376 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158137118 1067285632 /nfs/dbraw/zinc/28/56/32/1067285632.db2.gz DFWQHCVYTQMBDV-LJQANCHMSA-N 1 1 488.589 -1.376 20 0 JAADMO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001158379386 1067285981 /nfs/dbraw/zinc/28/59/81/1067285981.db2.gz DMCMNLDINFFEPO-BIPCEHGGSA-N 1 1 477.484 -1.016 20 0 JAADMO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001158379387 1067286089 /nfs/dbraw/zinc/28/60/89/1067286089.db2.gz DMCMNLDINFFEPO-MBZVMHRFSA-N 1 1 477.484 -1.016 20 0 JAADMO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001158379389 1067286311 /nfs/dbraw/zinc/28/63/11/1067286311.db2.gz DMCMNLDINFFEPO-OYUDYFSCSA-N 1 1 477.484 -1.016 20 0 JAADMO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001158379393 1067286222 /nfs/dbraw/zinc/28/62/22/1067286222.db2.gz DMCMNLDINFFEPO-WXPXUSHHSA-N 1 1 477.484 -1.016 20 0 JAADMO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001158384074 1067286050 /nfs/dbraw/zinc/28/60/50/1067286050.db2.gz QKDYPTHOWCMQAZ-DLBZAZTESA-N 1 1 480.444 -3.163 20 0 JAADMO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001158384075 1067286244 /nfs/dbraw/zinc/28/62/44/1067286244.db2.gz QKDYPTHOWCMQAZ-IAGOWNOFSA-N 1 1 480.444 -3.163 20 0 JAADMO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001158384076 1067286133 /nfs/dbraw/zinc/28/61/33/1067286133.db2.gz QKDYPTHOWCMQAZ-IRXDYDNUSA-N 1 1 480.444 -3.163 20 0 JAADMO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001158384077 1067286852 /nfs/dbraw/zinc/28/68/52/1067286852.db2.gz QKDYPTHOWCMQAZ-SJORKVTESA-N 1 1 480.444 -3.163 20 0 JAADMO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001158466807 1067287000 /nfs/dbraw/zinc/28/70/00/1067287000.db2.gz BCUKGQQGFGSOJA-OYHNWAKOSA-N 1 1 480.566 -2.535 20 0 JAADMO CCOC(=O)C1CC[NH+](C2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2)CC1 ZINC001158513510 1067286819 /nfs/dbraw/zinc/28/68/19/1067286819.db2.gz OGYMGSICBUUJCG-UHFFFAOYSA-N 1 1 468.555 -2.440 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158661676 1067287693 /nfs/dbraw/zinc/28/76/93/1067287693.db2.gz YUCMTAJPOYTSOT-UHFFFAOYSA-N 1 1 459.467 -3.049 20 0 JAADMO CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683166 1067288504 /nfs/dbraw/zinc/28/85/04/1067288504.db2.gz WYUNRSKWFRJPAI-HRCADAONSA-N 1 1 484.604 -1.310 20 0 JAADMO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692141 1067289092 /nfs/dbraw/zinc/28/90/92/1067289092.db2.gz BZCNIHQZHQNNAB-CYUUQNCZSA-N 1 1 468.536 -2.640 20 0 JAADMO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694000 1067289064 /nfs/dbraw/zinc/28/90/64/1067289064.db2.gz QPLCCEZCGJMTJT-SOUVJXGZSA-N 1 1 456.594 -1.445 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001158734864 1067289249 /nfs/dbraw/zinc/28/92/49/1067289249.db2.gz GWBGEIMVPSUUHD-FZMZJTMJSA-N 1 1 456.525 -1.937 20 0 JAADMO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001158735169 1067289960 /nfs/dbraw/zinc/28/99/60/1067289960.db2.gz PXHKBLHMLBQXRY-UHFFFAOYSA-N 1 1 459.485 -4.084 20 0 JAADMO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001158735243 1067290242 /nfs/dbraw/zinc/29/02/42/1067290242.db2.gz SGSRMBWBMRIZGF-RDJZCZTQSA-N 1 1 481.531 -1.639 20 0 JAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)CC2 ZINC001158891163 1067290815 /nfs/dbraw/zinc/29/08/15/1067290815.db2.gz UUDUDDWPUNALIO-OALUTQOASA-N 1 1 461.563 -1.058 20 0 JAADMO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)CC2 ZINC001158891163 1067290808 /nfs/dbraw/zinc/29/08/08/1067290808.db2.gz UUDUDDWPUNALIO-OALUTQOASA-N 1 1 461.563 -1.058 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158905397 1067290911 /nfs/dbraw/zinc/29/09/11/1067290911.db2.gz WTKCVYJLIOJHAK-RBZFPXEDSA-N 1 1 465.486 -2.618 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158905398 1067291161 /nfs/dbraw/zinc/29/11/61/1067291161.db2.gz WTKCVYJLIOJHAK-RNODOKPDSA-N 1 1 465.486 -2.618 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158905399 1067291743 /nfs/dbraw/zinc/29/17/43/1067291743.db2.gz WTKCVYJLIOJHAK-XCLFUZPHSA-N 1 1 465.486 -2.618 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158905400 1067291997 /nfs/dbraw/zinc/29/19/97/1067291997.db2.gz WTKCVYJLIOJHAK-ZUOKHONESA-N 1 1 465.486 -2.618 20 0 JAADMO Cc1nc(CN2CCCC23CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC3)cs1 ZINC001158977410 1067291904 /nfs/dbraw/zinc/29/19/04/1067291904.db2.gz WKWMWOTXMQENQK-UHFFFAOYSA-N 1 1 479.607 -1.284 20 0 JAADMO Cn1nnc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2COCC[NH+]1CCCC1 ZINC001159125034 1067294222 /nfs/dbraw/zinc/29/42/22/1067294222.db2.gz SHKSPIYZVSFYJO-INIZCTEOSA-N 1 1 493.569 -3.339 20 0 JAADMO Cn1nnc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125035 1067294593 /nfs/dbraw/zinc/29/45/93/1067294593.db2.gz SHKSPIYZVSFYJO-MRXNPFEDSA-N 1 1 493.569 -3.339 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159158848 1067294445 /nfs/dbraw/zinc/29/44/45/1067294445.db2.gz SUUYMPPDBFDZEM-SQNIBIBYSA-N 1 1 489.581 -2.713 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159158848 1067294430 /nfs/dbraw/zinc/29/44/30/1067294430.db2.gz SUUYMPPDBFDZEM-SQNIBIBYSA-N 1 1 489.581 -2.713 20 0 JAADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2nnn4c2C[NH2+]CC4)CC3)C1=O ZINC001159189529 1067295789 /nfs/dbraw/zinc/29/57/89/1067295789.db2.gz DFXPQHLLEUQTLK-IBGZPJMESA-N 1 1 451.553 -1.273 20 0 JAADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2nnn4c2C[NH2+]CC4)CC3)C1=O ZINC001159189536 1067296094 /nfs/dbraw/zinc/29/60/94/1067296094.db2.gz DFXPQHLLEUQTLK-LJQANCHMSA-N 1 1 451.553 -1.273 20 0 JAADMO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159189940 1067296141 /nfs/dbraw/zinc/29/61/41/1067296141.db2.gz GWQLZANUYURLOP-UHFFFAOYSA-N 1 1 466.499 -3.842 20 0 JAADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC3)C1=O ZINC001159191853 1067296458 /nfs/dbraw/zinc/29/64/58/1067296458.db2.gz YUTBQJPZXYMESH-DYESRHJHSA-N 1 1 470.640 -1.531 20 0 JAADMO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC3)C1=O ZINC001159191856 1067296691 /nfs/dbraw/zinc/29/66/91/1067296691.db2.gz YUTBQJPZXYMESH-LAUBAEHRSA-N 1 1 470.640 -1.531 20 0 JAADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC3)C1=O ZINC001159191859 1067296438 /nfs/dbraw/zinc/29/64/38/1067296438.db2.gz YUTBQJPZXYMESH-UTKZUKDTSA-N 1 1 470.640 -1.531 20 0 JAADMO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC3)C1=O ZINC001159191861 1067296512 /nfs/dbraw/zinc/29/65/12/1067296512.db2.gz YUTBQJPZXYMESH-UWJYYQICSA-N 1 1 470.640 -1.531 20 0 JAADMO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)CC2 ZINC001159191896 1067296391 /nfs/dbraw/zinc/29/63/91/1067296391.db2.gz JXBGSKZWWOPHKP-ROUUACIJSA-N 1 1 488.545 -1.397 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001159192455 1067297232 /nfs/dbraw/zinc/29/72/32/1067297232.db2.gz SIVNPMOAZOFNIQ-ZFWWWQNUSA-N 1 1 463.539 -1.695 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159237220 1067297752 /nfs/dbraw/zinc/29/77/52/1067297752.db2.gz YGAAFHXVMJGTQS-UHFFFAOYSA-N 1 1 471.522 -2.736 20 0 JAADMO CO[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317061 1067298345 /nfs/dbraw/zinc/29/83/45/1067298345.db2.gz PUEDPEMSCMMSES-RCCFBDPRSA-N 1 1 475.550 -2.563 20 0 JAADMO CO[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317061 1067298339 /nfs/dbraw/zinc/29/83/39/1067298339.db2.gz PUEDPEMSCMMSES-RCCFBDPRSA-N 1 1 475.550 -2.563 20 0 JAADMO Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339202 1067298488 /nfs/dbraw/zinc/29/84/88/1067298488.db2.gz LVJJVQQLJFUJAV-HTAPYJJXSA-N 1 1 460.535 -1.844 20 0 JAADMO Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339203 1067298664 /nfs/dbraw/zinc/29/86/64/1067298664.db2.gz LVJJVQQLJFUJAV-JTSKRJEESA-N 1 1 460.535 -1.844 20 0 JAADMO Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159339204 1067298740 /nfs/dbraw/zinc/29/87/40/1067298740.db2.gz LVJJVQQLJFUJAV-VGOFRKELSA-N 1 1 460.535 -1.844 20 0 JAADMO Cc1cccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159339205 1067298411 /nfs/dbraw/zinc/29/84/11/1067298411.db2.gz LVJJVQQLJFUJAV-VGSWGCGISA-N 1 1 460.535 -1.844 20 0 JAADMO O=C([C@H]1CCS(=O)(=O)C12CNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393628 1067298304 /nfs/dbraw/zinc/29/83/04/1067298304.db2.gz GHTWMCXHDUYJPG-ARFHVFGLSA-N 1 1 481.600 -1.406 20 0 JAADMO O=C([C@@H]1CCS(=O)(=O)C12CNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393629 1067298584 /nfs/dbraw/zinc/29/85/84/1067298584.db2.gz GHTWMCXHDUYJPG-HRCADAONSA-N 1 1 481.600 -1.406 20 0 JAADMO C[C@H](NC(=O)[C@@H](N)CO)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393682 1067298606 /nfs/dbraw/zinc/29/86/06/1067298606.db2.gz IBXHXILEEQIZOG-FBUXBERBSA-N 1 1 452.537 -2.358 20 0 JAADMO NC(=O)NCCC[C@@H](N)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394218 1067298384 /nfs/dbraw/zinc/29/83/84/1067298384.db2.gz LRRICLSUUWCOEZ-RRFJBIMHSA-N 1 1 451.553 -1.406 20 0 JAADMO NC(=O)NCCC[C@H](N)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394222 1067299588 /nfs/dbraw/zinc/29/95/88/1067299588.db2.gz LRRICLSUUWCOEZ-SOUVJXGZSA-N 1 1 451.553 -1.406 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402892 1067299616 /nfs/dbraw/zinc/29/96/16/1067299616.db2.gz KYOFZSJWGLRNOK-SOUVJXGZSA-N 1 1 462.511 -3.259 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403648 1067299275 /nfs/dbraw/zinc/29/92/75/1067299275.db2.gz RBBXYSWESOTDDA-KFGODFMUSA-N 1 1 459.551 -1.112 20 0 JAADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159412886 1067299329 /nfs/dbraw/zinc/29/93/29/1067299329.db2.gz ZZRILDUUCHAHRE-UHFFFAOYSA-N 1 1 473.578 -1.408 20 0 JAADMO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC2 ZINC001159412886 1067299324 /nfs/dbraw/zinc/29/93/24/1067299324.db2.gz ZZRILDUUCHAHRE-UHFFFAOYSA-N 1 1 473.578 -1.408 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001159424202 1067299148 /nfs/dbraw/zinc/29/91/48/1067299148.db2.gz DTTIBFWTBDYWEH-WMZOPIPTSA-N 1 1 460.583 -1.573 20 0 JAADMO CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC3)CC1 ZINC001159426235 1067299420 /nfs/dbraw/zinc/29/94/20/1067299420.db2.gz XKBFIJDUCBJZDJ-SFTDATJTSA-N 1 1 485.589 -1.275 20 0 JAADMO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159456892 1067300659 /nfs/dbraw/zinc/30/06/59/1067300659.db2.gz ALCOBENMYRNOQN-VVLHAWIVSA-N 1 1 488.607 -1.635 20 0 JAADMO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159456893 1067300922 /nfs/dbraw/zinc/30/09/22/1067300922.db2.gz ALCOBENMYRNOQN-WCXIOVBPSA-N 1 1 488.607 -1.635 20 0 JAADMO CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458028 1067301376 /nfs/dbraw/zinc/30/13/76/1067301376.db2.gz LJZLGBJTRSLTRE-LVQVYYBASA-N 1 1 462.594 -1.739 20 0 JAADMO CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458029 1067301486 /nfs/dbraw/zinc/30/14/86/1067301486.db2.gz LJZLGBJTRSLTRE-XUWVNRHRSA-N 1 1 462.594 -1.739 20 0 JAADMO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458868 1067301837 /nfs/dbraw/zinc/30/18/37/1067301837.db2.gz QZBXUZOOUUAANG-YSTOQKLRSA-N 1 1 492.598 -1.207 20 0 JAADMO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458869 1067302235 /nfs/dbraw/zinc/30/22/35/1067302235.db2.gz QZBXUZOOUUAANG-ZGXWSNOMSA-N 1 1 492.598 -1.207 20 0 JAADMO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458872 1067302037 /nfs/dbraw/zinc/30/20/37/1067302037.db2.gz RDLNCOIFARRNFS-BRSBDYLESA-N 1 1 454.593 -1.019 20 0 JAADMO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458873 1067302309 /nfs/dbraw/zinc/30/23/09/1067302309.db2.gz RDLNCOIFARRNFS-BSDSXHPESA-N 1 1 454.593 -1.019 20 0 JAADMO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458874 1067302293 /nfs/dbraw/zinc/30/22/93/1067302293.db2.gz RDLNCOIFARRNFS-XWTMOSNGSA-N 1 1 454.593 -1.019 20 0 JAADMO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458875 1067302093 /nfs/dbraw/zinc/30/20/93/1067302093.db2.gz RDLNCOIFARRNFS-ZJPYXAASSA-N 1 1 454.593 -1.019 20 0 JAADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCC2 ZINC001159481769 1067302811 /nfs/dbraw/zinc/30/28/11/1067302811.db2.gz VRDSSVNHPCKCNY-UHFFFAOYSA-N 1 1 478.554 -2.877 20 0 JAADMO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCC2 ZINC001159481769 1067302795 /nfs/dbraw/zinc/30/27/95/1067302795.db2.gz VRDSSVNHPCKCNY-UHFFFAOYSA-N 1 1 478.554 -2.877 20 0 JAADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001159482131 1067302946 /nfs/dbraw/zinc/30/29/46/1067302946.db2.gz YZOWZIJTNATNNL-IIBYNOLFSA-N 1 1 452.556 -2.499 20 0 JAADMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2 ZINC001159482131 1067302928 /nfs/dbraw/zinc/30/29/28/1067302928.db2.gz YZOWZIJTNATNNL-IIBYNOLFSA-N 1 1 452.556 -2.499 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159491394 1067303031 /nfs/dbraw/zinc/30/30/31/1067303031.db2.gz CJGAYHNDSWHMSS-UHFFFAOYSA-N 1 1 450.456 -3.968 20 0 JAADMO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493829 1067303706 /nfs/dbraw/zinc/30/37/06/1067303706.db2.gz RNFPTZMBWJABPZ-WMZOPIPTSA-N 1 1 472.502 -1.523 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573711 1067304502 /nfs/dbraw/zinc/30/45/02/1067304502.db2.gz DWVKBDQVZOBYRA-UHFFFAOYSA-N 1 1 487.565 -2.475 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001159574157 1067304300 /nfs/dbraw/zinc/30/43/00/1067304300.db2.gz NTFFPYBNMGXEML-UHFFFAOYSA-N 1 1 497.560 -2.327 20 0 JAADMO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC2 ZINC001159610264 1067305230 /nfs/dbraw/zinc/30/52/30/1067305230.db2.gz NNMHFVCMMSQQQG-KRWDZBQOSA-N 1 1 454.616 -1.058 20 0 JAADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2C ZINC001159633460 1067306270 /nfs/dbraw/zinc/30/62/70/1067306270.db2.gz LKHUNXQXPBHJCN-AWEZNQCLSA-N 1 1 450.544 -2.066 20 0 JAADMO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2C ZINC001159633460 1067306260 /nfs/dbraw/zinc/30/62/60/1067306260.db2.gz LKHUNXQXPBHJCN-AWEZNQCLSA-N 1 1 450.544 -2.066 20 0 JAADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2C ZINC001159633461 1067305777 /nfs/dbraw/zinc/30/57/77/1067305777.db2.gz LKHUNXQXPBHJCN-CQSZACIVSA-N 1 1 450.544 -2.066 20 0 JAADMO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2C ZINC001159633461 1067305764 /nfs/dbraw/zinc/30/57/64/1067305764.db2.gz LKHUNXQXPBHJCN-CQSZACIVSA-N 1 1 450.544 -2.066 20 0 JAADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)CC[C@@H]2C1 ZINC001159635730 1067305898 /nfs/dbraw/zinc/30/58/98/1067305898.db2.gz QLVHXGDALCDGQK-BVOGOJNSSA-N 1 1 464.563 -1.065 20 0 JAADMO COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)CC[C@@H]2C1 ZINC001159635730 1067305885 /nfs/dbraw/zinc/30/58/85/1067305885.db2.gz QLVHXGDALCDGQK-BVOGOJNSSA-N 1 1 464.563 -1.065 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663808 1067306854 /nfs/dbraw/zinc/30/68/54/1067306854.db2.gz ANKRTFMESXCYMG-DLBZAZTESA-N 1 1 461.523 -2.809 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663808 1067306842 /nfs/dbraw/zinc/30/68/42/1067306842.db2.gz ANKRTFMESXCYMG-DLBZAZTESA-N 1 1 461.523 -2.809 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663818 1067306600 /nfs/dbraw/zinc/30/66/00/1067306600.db2.gz ANKRTFMESXCYMG-IAGOWNOFSA-N 1 1 461.523 -2.809 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663818 1067306589 /nfs/dbraw/zinc/30/65/89/1067306589.db2.gz ANKRTFMESXCYMG-IAGOWNOFSA-N 1 1 461.523 -2.809 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663824 1067306714 /nfs/dbraw/zinc/30/67/14/1067306714.db2.gz ANKRTFMESXCYMG-IRXDYDNUSA-N 1 1 461.523 -2.809 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159663824 1067306704 /nfs/dbraw/zinc/30/67/04/1067306704.db2.gz ANKRTFMESXCYMG-IRXDYDNUSA-N 1 1 461.523 -2.809 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663827 1067306549 /nfs/dbraw/zinc/30/65/49/1067306549.db2.gz ANKRTFMESXCYMG-SJORKVTESA-N 1 1 461.523 -2.809 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159663827 1067306536 /nfs/dbraw/zinc/30/65/36/1067306536.db2.gz ANKRTFMESXCYMG-SJORKVTESA-N 1 1 461.523 -2.809 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159834519 1067309620 /nfs/dbraw/zinc/30/96/20/1067309620.db2.gz VJUJZMWCTNHCMC-KBPBESRZSA-N 1 1 451.553 -2.127 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159834521 1067309495 /nfs/dbraw/zinc/30/94/95/1067309495.db2.gz VJUJZMWCTNHCMC-KGLIPLIRSA-N 1 1 451.553 -2.127 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001159834523 1067308928 /nfs/dbraw/zinc/30/89/28/1067308928.db2.gz VJUJZMWCTNHCMC-UONOGXRCSA-N 1 1 451.553 -2.127 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001159834525 1067309295 /nfs/dbraw/zinc/30/92/95/1067309295.db2.gz VJUJZMWCTNHCMC-ZIAGYGMSSA-N 1 1 451.553 -2.127 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855360 1067309095 /nfs/dbraw/zinc/30/90/95/1067309095.db2.gz LKJMEEMJUCKDNY-DOTOQJQBSA-N 1 1 464.498 -2.203 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855360 1067309083 /nfs/dbraw/zinc/30/90/83/1067309083.db2.gz LKJMEEMJUCKDNY-DOTOQJQBSA-N 1 1 464.498 -2.203 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855361 1067309556 /nfs/dbraw/zinc/30/95/56/1067309556.db2.gz LKJMEEMJUCKDNY-NVXWUHKLSA-N 1 1 464.498 -2.203 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855361 1067309544 /nfs/dbraw/zinc/30/95/44/1067309544.db2.gz LKJMEEMJUCKDNY-NVXWUHKLSA-N 1 1 464.498 -2.203 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855362 1067309370 /nfs/dbraw/zinc/30/93/70/1067309370.db2.gz LKJMEEMJUCKDNY-RDJZCZTQSA-N 1 1 464.498 -2.203 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159855362 1067309357 /nfs/dbraw/zinc/30/93/57/1067309357.db2.gz LKJMEEMJUCKDNY-RDJZCZTQSA-N 1 1 464.498 -2.203 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855363 1067308882 /nfs/dbraw/zinc/30/88/82/1067308882.db2.gz LKJMEEMJUCKDNY-WBVHZDCISA-N 1 1 464.498 -2.203 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159855363 1067308866 /nfs/dbraw/zinc/30/88/66/1067308866.db2.gz LKJMEEMJUCKDNY-WBVHZDCISA-N 1 1 464.498 -2.203 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888936 1067309002 /nfs/dbraw/zinc/30/90/02/1067309002.db2.gz XRMNJXRNWDEBPR-NRFANRHFSA-N 1 1 495.531 -1.551 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888936 1067308988 /nfs/dbraw/zinc/30/89/88/1067308988.db2.gz XRMNJXRNWDEBPR-NRFANRHFSA-N 1 1 495.531 -1.551 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001159888937 1067309254 /nfs/dbraw/zinc/30/92/54/1067309254.db2.gz XRMNJXRNWDEBPR-OAQYLSRUSA-N 1 1 495.531 -1.551 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001159888937 1067309240 /nfs/dbraw/zinc/30/92/40/1067309240.db2.gz XRMNJXRNWDEBPR-OAQYLSRUSA-N 1 1 495.531 -1.551 20 0 JAADMO Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052122 1067311084 /nfs/dbraw/zinc/31/10/84/1067311084.db2.gz MBXKRMOLNHWGQL-BTYIYWSLSA-N 1 1 476.538 -2.664 20 0 JAADMO Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052125 1067311058 /nfs/dbraw/zinc/31/10/58/1067311058.db2.gz MBXKRMOLNHWGQL-QVKFZJNVSA-N 1 1 476.538 -2.664 20 0 JAADMO Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052127 1067311637 /nfs/dbraw/zinc/31/16/37/1067311637.db2.gz MBXKRMOLNHWGQL-VFNWGFHPSA-N 1 1 476.538 -2.664 20 0 JAADMO Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160052129 1067311351 /nfs/dbraw/zinc/31/13/51/1067311351.db2.gz MBXKRMOLNHWGQL-YCRPNKLZSA-N 1 1 476.538 -2.664 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160052811 1067311483 /nfs/dbraw/zinc/31/14/83/1067311483.db2.gz OMPCJHCQWZVPBB-UHFFFAOYSA-N 1 1 459.551 -1.797 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160052811 1067311471 /nfs/dbraw/zinc/31/14/71/1067311471.db2.gz OMPCJHCQWZVPBB-UHFFFAOYSA-N 1 1 459.551 -1.797 20 0 JAADMO CCOC(=O)C1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)CC1 ZINC001160087914 1067312018 /nfs/dbraw/zinc/31/20/18/1067312018.db2.gz HUVSSRBHYHUNDG-BYNBJNPRSA-N 1 1 475.506 -1.032 20 0 JAADMO COC(=O)C1CCN(c2nccnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001160088057 1067311794 /nfs/dbraw/zinc/31/17/94/1067311794.db2.gz OWHPABFSJSKTGH-SCFUHWHPSA-N 1 1 461.479 -1.422 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncccc3S(=O)(=O)N3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088170 1067312187 /nfs/dbraw/zinc/31/21/87/1067312187.db2.gz PSQQQRAWEHGJFJ-BNGXUDDSSA-N 1 1 468.492 -2.185 20 0 JAADMO COC(=O)C1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)CC1 ZINC001160088375 1067311767 /nfs/dbraw/zinc/31/17/67/1067311767.db2.gz VHKOFJTWFCDOAZ-BDQAWRDZSA-N 1 1 461.479 -1.422 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncccc3S(=O)(=O)N3CCCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088384 1067312050 /nfs/dbraw/zinc/31/20/50/1067312050.db2.gz VPKOWPWLVKXAGE-BNGXUDDSSA-N 1 1 452.493 -1.422 20 0 JAADMO COC(=O)C1CCN(c2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)CC1 ZINC001160088402 1067312102 /nfs/dbraw/zinc/31/21/02/1067312102.db2.gz WPLGLPNTSFQLDV-BASLNEPJSA-N 1 1 461.479 -1.422 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncccc3S(=O)(=O)N3CCCCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092371 1067312585 /nfs/dbraw/zinc/31/25/85/1067312585.db2.gz FJGWLFPQQFWLHK-HALQFCHDSA-N 1 1 466.520 -1.031 20 0 JAADMO COC(=O)c1cc(S(N)(=O)=O)cnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160092492 1067312789 /nfs/dbraw/zinc/31/27/89/1067312789.db2.gz GLXLDOJVYBNOMU-XIDUGBJDSA-N 1 1 456.437 -2.772 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc(C(=O)N4CCOCC4)cc3Cl)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092498 1067312764 /nfs/dbraw/zinc/31/27/64/1067312764.db2.gz GVEHSMXZLBOXHM-SCFUHWHPSA-N 1 1 466.882 -1.080 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092580 1067312509 /nfs/dbraw/zinc/31/25/09/1067312509.db2.gz KQXQPLAKIOUNEG-BASLNEPJSA-N 1 1 468.492 -2.185 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)N4CCCC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092863 1067312819 /nfs/dbraw/zinc/31/28/19/1067312819.db2.gz OAHABYJLLGVGMJ-BASLNEPJSA-N 1 1 452.493 -1.422 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093066 1067312659 /nfs/dbraw/zinc/31/26/59/1067312659.db2.gz SOQVOPKSJAAQQS-HALQFCHDSA-N 1 1 480.503 -2.335 20 0 JAADMO CC1(C)NC(=O)N(Cc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2)C1=O ZINC001160093190 1067312847 /nfs/dbraw/zinc/31/28/47/1067312847.db2.gz UUCZJVUDZIODJB-RAEVTNRLSA-N 1 1 459.463 -1.376 20 0 JAADMO CCOC(=O)c1cnc([S@@](C)=O)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160093202 1067312417 /nfs/dbraw/zinc/31/24/17/1067312417.db2.gz VIZAMGQQIWNMBP-LYCFAMONSA-N 1 1 454.465 -1.897 20 0 JAADMO CCOC(=O)c1cnc([S@](C)=O)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160093203 1067312737 /nfs/dbraw/zinc/31/27/37/1067312737.db2.gz VIZAMGQQIWNMBP-PVBQEHFKSA-N 1 1 454.465 -1.897 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)N4CCCCC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093205 1067312449 /nfs/dbraw/zinc/31/24/49/1067312449.db2.gz VKPUSVIXFWUBIK-BNEJOLLZSA-N 1 1 466.520 -1.031 20 0 JAADMO CCN(CC)S(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001160093271 1067312684 /nfs/dbraw/zinc/31/26/84/1067312684.db2.gz WOYMTZWKLAIYCK-BASLNEPJSA-N 1 1 454.509 -1.176 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(S(=O)(=O)N4CCCC4)ccn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093299 1067312881 /nfs/dbraw/zinc/31/28/81/1067312881.db2.gz XFTAWSYKYYOGEF-BASLNEPJSA-N 1 1 452.493 -1.422 20 0 JAADMO CCOC(=O)[C@@H]1CCCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)C1 ZINC001160093368 1067312614 /nfs/dbraw/zinc/31/26/14/1067312614.db2.gz ZAJGROKAJFUSED-GTBHSOEESA-N 1 1 475.506 -1.032 20 0 JAADMO CCOC(=O)[C@H]1CCCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)C1 ZINC001160093370 1067312908 /nfs/dbraw/zinc/31/29/08/1067312908.db2.gz ZAJGROKAJFUSED-KIVPVIKRSA-N 1 1 475.506 -1.032 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139036 1067313060 /nfs/dbraw/zinc/31/30/60/1067313060.db2.gz SZEXWXIZPYXRID-ZSDSOXJFSA-N 1 1 461.523 -2.511 20 0 JAADMO Cc1ccc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160170989 1067313334 /nfs/dbraw/zinc/31/33/34/1067313334.db2.gz DNSPAZRUPRKEPB-UHFFFAOYSA-N 1 1 482.545 -1.555 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001160294396 1067314553 /nfs/dbraw/zinc/31/45/53/1067314553.db2.gz BOKHVSFDBINYMR-JOCHJYFZSA-N 1 1 462.526 -1.300 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001160294397 1067314958 /nfs/dbraw/zinc/31/49/58/1067314958.db2.gz BOKHVSFDBINYMR-QFIPXVFZSA-N 1 1 462.526 -1.300 20 0 JAADMO C[NH+](C)CCOCc1ncn2c1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCC2 ZINC001160371544 1067316328 /nfs/dbraw/zinc/31/63/28/1067316328.db2.gz KXYKXDMBYYCHGF-UHFFFAOYSA-N 1 1 466.543 -2.999 20 0 JAADMO CN(C)C(=O)CN1CCC2(CCCN2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001160389046 1067316511 /nfs/dbraw/zinc/31/65/11/1067316511.db2.gz VETMINKHXJNPRI-UHFFFAOYSA-N 1 1 453.544 -3.161 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001160390791 1067316957 /nfs/dbraw/zinc/31/69/57/1067316957.db2.gz FZJFPJWOHMSXSB-IRXDYDNUSA-N 1 1 450.584 -1.014 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160406772 1067317554 /nfs/dbraw/zinc/31/75/54/1067317554.db2.gz WSSYPZXSVJBIPK-UHFFFAOYSA-N 1 1 472.510 -2.993 20 0 JAADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]21 ZINC001160424420 1067317797 /nfs/dbraw/zinc/31/77/97/1067317797.db2.gz SWXYHKHDUZSJOF-BHIYHBOVSA-N 1 1 473.578 -1.552 20 0 JAADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]21 ZINC001160424420 1067317782 /nfs/dbraw/zinc/31/77/82/1067317782.db2.gz SWXYHKHDUZSJOF-BHIYHBOVSA-N 1 1 473.578 -1.552 20 0 JAADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]21 ZINC001160424421 1067317495 /nfs/dbraw/zinc/31/74/95/1067317495.db2.gz SWXYHKHDUZSJOF-NZSAHSFTSA-N 1 1 473.578 -1.552 20 0 JAADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]21 ZINC001160424421 1067317485 /nfs/dbraw/zinc/31/74/85/1067317485.db2.gz SWXYHKHDUZSJOF-NZSAHSFTSA-N 1 1 473.578 -1.552 20 0 JAADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]21 ZINC001160424422 1067317311 /nfs/dbraw/zinc/31/73/11/1067317311.db2.gz SWXYHKHDUZSJOF-QXAKKESOSA-N 1 1 473.578 -1.552 20 0 JAADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@H]21 ZINC001160424422 1067317296 /nfs/dbraw/zinc/31/72/96/1067317296.db2.gz SWXYHKHDUZSJOF-QXAKKESOSA-N 1 1 473.578 -1.552 20 0 JAADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]21 ZINC001160424423 1067317634 /nfs/dbraw/zinc/31/76/34/1067317634.db2.gz SWXYHKHDUZSJOF-YTQUADARSA-N 1 1 473.578 -1.552 20 0 JAADMO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C[C@@H]21 ZINC001160424423 1067317619 /nfs/dbraw/zinc/31/76/19/1067317619.db2.gz SWXYHKHDUZSJOF-YTQUADARSA-N 1 1 473.578 -1.552 20 0 JAADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(=O)NCC(N)=O ZINC001160626639 1067319226 /nfs/dbraw/zinc/31/92/26/1067319226.db2.gz ACQGMEODTGRLNX-IKGGRYGDSA-N 1 1 450.584 -1.016 20 0 JAADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(=O)NCC(N)=O ZINC001160626642 1067318828 /nfs/dbraw/zinc/31/88/28/1067318828.db2.gz ACQGMEODTGRLNX-ULQDDVLXSA-N 1 1 450.584 -1.016 20 0 JAADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1)C(=O)NCC(N)=O ZINC001160630067 1067320131 /nfs/dbraw/zinc/32/01/31/1067320131.db2.gz VCMCRMLNMRCJKU-BZSNNMDCSA-N 1 1 480.610 -1.437 20 0 JAADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1)C(=O)NCC(N)=O ZINC001160630069 1067320180 /nfs/dbraw/zinc/32/01/80/1067320180.db2.gz VCMCRMLNMRCJKU-OKZBNKHCSA-N 1 1 480.610 -1.437 20 0 JAADMO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001160773490 1067321516 /nfs/dbraw/zinc/32/15/16/1067321516.db2.gz HXCVHOWEYGCOEP-JYJNAYRXSA-N 1 1 469.516 -2.072 20 0 JAADMO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001160773491 1067321791 /nfs/dbraw/zinc/32/17/91/1067321791.db2.gz HXCVHOWEYGCOEP-PMPSAXMXSA-N 1 1 469.516 -2.072 20 0 JAADMO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)C[C@H]1C2 ZINC001160797084 1067321733 /nfs/dbraw/zinc/32/17/33/1067321733.db2.gz IZHGKVJRAZEYBI-QRSYKAQNSA-N 1 1 460.531 -1.404 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902590 1067322127 /nfs/dbraw/zinc/32/21/27/1067322127.db2.gz UEKJPRVAGMKEIY-PMECCGAFSA-N 1 1 460.579 -1.285 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902590 1067322121 /nfs/dbraw/zinc/32/21/21/1067322121.db2.gz UEKJPRVAGMKEIY-PMECCGAFSA-N 1 1 460.579 -1.285 20 0 JAADMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc1 ZINC001160957362 1067322554 /nfs/dbraw/zinc/32/25/54/1067322554.db2.gz QRBNFTSTQLNYEU-GOSISDBHSA-N 1 1 476.578 -1.185 20 0 JAADMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc1 ZINC001160957362 1067322545 /nfs/dbraw/zinc/32/25/45/1067322545.db2.gz QRBNFTSTQLNYEU-GOSISDBHSA-N 1 1 476.578 -1.185 20 0 JAADMO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc1 ZINC001160957365 1067322487 /nfs/dbraw/zinc/32/24/87/1067322487.db2.gz QRBNFTSTQLNYEU-SFHVURJKSA-N 1 1 476.578 -1.185 20 0 JAADMO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc1 ZINC001160957365 1067322476 /nfs/dbraw/zinc/32/24/76/1067322476.db2.gz QRBNFTSTQLNYEU-SFHVURJKSA-N 1 1 476.578 -1.185 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161056284 1067322906 /nfs/dbraw/zinc/32/29/06/1067322906.db2.gz LDAAFHBDWHMFLT-IBGZPJMESA-N 1 1 458.563 -1.051 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161056284 1067322894 /nfs/dbraw/zinc/32/28/94/1067322894.db2.gz LDAAFHBDWHMFLT-IBGZPJMESA-N 1 1 458.563 -1.051 20 0 JAADMO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001161057572 1067322954 /nfs/dbraw/zinc/32/29/54/1067322954.db2.gz AZUQCYLPASRWDW-UHFFFAOYSA-N 1 1 450.515 -1.444 20 0 JAADMO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001161057572 1067322941 /nfs/dbraw/zinc/32/29/41/1067322941.db2.gz AZUQCYLPASRWDW-UHFFFAOYSA-N 1 1 450.515 -1.444 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161089982 1067323699 /nfs/dbraw/zinc/32/36/99/1067323699.db2.gz JWCPQTRLQSRULN-UHFFFAOYSA-N 1 1 456.507 -1.978 20 0 JAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122829 1067324286 /nfs/dbraw/zinc/32/42/86/1067324286.db2.gz LSWGVGIYYHWYPO-ULQDDVLXSA-N 1 1 488.580 -1.013 20 0 JAADMO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)CC2)c2nonc21 ZINC001161154105 1067324719 /nfs/dbraw/zinc/32/47/19/1067324719.db2.gz VGGOWFNRIVCSHV-HNNXBMFYSA-N 1 1 480.595 -1.128 20 0 JAADMO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)CC2)c2nonc21 ZINC001161154107 1067324868 /nfs/dbraw/zinc/32/48/68/1067324868.db2.gz VGGOWFNRIVCSHV-OAHLLOKOSA-N 1 1 480.595 -1.128 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196954 1067325568 /nfs/dbraw/zinc/32/55/68/1067325568.db2.gz VKFJLYLYRULSBM-UHFFFAOYSA-N 1 1 469.587 -3.156 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198222 1067325462 /nfs/dbraw/zinc/32/54/62/1067325462.db2.gz NPWAZSNCYZZBOI-ICSRJNTNSA-N 1 1 466.627 -1.009 20 0 JAADMO Cc1cc(F)cc(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2CC[NH2+]CC2)c1 ZINC001161281833 1067326384 /nfs/dbraw/zinc/32/63/84/1067326384.db2.gz NHMNZUITBIFXGD-UHFFFAOYSA-N 1 1 450.515 -1.478 20 0 JAADMO COc1cc(C)nc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C2CC[NH2+]CC2)n1 ZINC001161309831 1067326208 /nfs/dbraw/zinc/32/62/08/1067326208.db2.gz VXOAIUIZYGUYRI-UHFFFAOYSA-N 1 1 450.500 -2.814 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161354492 1067326154 /nfs/dbraw/zinc/32/61/54/1067326154.db2.gz MPVLCFOFBCJQII-UHFFFAOYSA-N 1 1 495.562 -2.861 20 0 JAADMO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001161438164 1067326125 /nfs/dbraw/zinc/32/61/25/1067326125.db2.gz BSMHWOWRSXSVFQ-UHFFFAOYSA-N 1 1 450.515 -1.444 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577170 1067327514 /nfs/dbraw/zinc/32/75/14/1067327514.db2.gz UWTJAEYQFLWTDD-MOPGFXCFSA-N 1 1 458.563 -1.336 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577170 1067327499 /nfs/dbraw/zinc/32/74/99/1067327499.db2.gz UWTJAEYQFLWTDD-MOPGFXCFSA-N 1 1 458.563 -1.336 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577171 1067327287 /nfs/dbraw/zinc/32/72/87/1067327287.db2.gz UWTJAEYQFLWTDD-OALUTQOASA-N 1 1 458.563 -1.336 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577171 1067327276 /nfs/dbraw/zinc/32/72/76/1067327276.db2.gz UWTJAEYQFLWTDD-OALUTQOASA-N 1 1 458.563 -1.336 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577172 1067327342 /nfs/dbraw/zinc/32/73/42/1067327342.db2.gz UWTJAEYQFLWTDD-RBUKOAKNSA-N 1 1 458.563 -1.336 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577172 1067327333 /nfs/dbraw/zinc/32/73/33/1067327333.db2.gz UWTJAEYQFLWTDD-RBUKOAKNSA-N 1 1 458.563 -1.336 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577173 1067327684 /nfs/dbraw/zinc/32/76/84/1067327684.db2.gz UWTJAEYQFLWTDD-RTBURBONSA-N 1 1 458.563 -1.336 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577173 1067327672 /nfs/dbraw/zinc/32/76/72/1067327672.db2.gz UWTJAEYQFLWTDD-RTBURBONSA-N 1 1 458.563 -1.336 20 0 JAADMO COC(=O)c1cc2c(ncnc2N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1S(=O)(=O)c1ccccc1 ZINC001162447087 1067329296 /nfs/dbraw/zinc/32/92/96/1067329296.db2.gz LANXGXPBBHQXIZ-MPGHIAIKSA-N 1 1 458.504 -1.048 20 0 JAADMO COC(=O)c1cc2c(ncnc2N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1S(=O)(=O)c1ccccc1 ZINC001162447088 1067329398 /nfs/dbraw/zinc/32/93/98/1067329398.db2.gz LANXGXPBBHQXIZ-RLFYNMQTSA-N 1 1 458.504 -1.048 20 0 JAADMO COC(=O)c1cc2c(ncnc2N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1S(=O)(=O)c1ccccc1 ZINC001162447089 1067329201 /nfs/dbraw/zinc/32/92/01/1067329201.db2.gz LANXGXPBBHQXIZ-RVKKMQEKSA-N 1 1 458.504 -1.048 20 0 JAADMO COC(=O)c1cc2c(ncnc2N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1S(=O)(=O)c1ccccc1 ZINC001162447090 1067329234 /nfs/dbraw/zinc/32/92/34/1067329234.db2.gz LANXGXPBBHQXIZ-VKJFTORMSA-N 1 1 458.504 -1.048 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nc(Cl)nc2c1S(=O)(=O)CC2 ZINC001162857119 1067329687 /nfs/dbraw/zinc/32/96/87/1067329687.db2.gz MFOHWZGIXBNSIU-JQWIXIFHSA-N 1 1 453.912 -1.008 20 0 JAADMO NC(=O)[C@H](Cc1cn(-c2ccc(S(N)(=O)=O)nn2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163427962 1067330811 /nfs/dbraw/zinc/33/08/11/1067330811.db2.gz OLSLJOPMWVGTRI-HOTGVXAUSA-N 1 1 497.541 -1.126 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](n2cc(-n3cnc(C[NH3+])cc3=N)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001167364813 1067018626 /nfs/dbraw/zinc/01/86/26/1067018626.db2.gz FLIPFEFSVFCYPM-KLICCBINSA-N 1 1 492.445 -1.603 20 0 JAADMO C[NH+]1CCN(C(=O)CCN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001167727578 1067025105 /nfs/dbraw/zinc/02/51/05/1067025105.db2.gz DAUYLNKGQFZMOU-UHFFFAOYSA-N 1 1 459.594 -1.196 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](n2cc(-n3cnc(C[NH3+])n3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001168756542 1067099178 /nfs/dbraw/zinc/09/91/78/1067099178.db2.gz PMDZEUDCSJNCCW-DNNBLBMLSA-N 1 1 466.407 -1.688 20 0 JAADMO CCOC(=O)c1sc2[nH]c(C[NH+](C)C)nc(=N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2c1C ZINC001169971766 1067109461 /nfs/dbraw/zinc/10/94/61/1067109461.db2.gz OEBZZYLHMRHSRJ-MQAQSHFFSA-N 1 1 456.521 -1.128 20 0 JAADMO CCOC(=O)c1sc2[nH]c(C[NH+](C)C)nc(=N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)c2c1C ZINC001169971772 1067109522 /nfs/dbraw/zinc/10/95/22/1067109522.db2.gz OEBZZYLHMRHSRJ-PHGVTUFJSA-N 1 1 456.521 -1.128 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H](N)CCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170904397 1067116742 /nfs/dbraw/zinc/11/67/42/1067116742.db2.gz BITZUDPBPRBJGA-ORDFZIBCSA-N 1 1 471.467 -1.292 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H](N)CCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170904399 1067116845 /nfs/dbraw/zinc/11/68/45/1067116845.db2.gz BITZUDPBPRBJGA-XSDHEKCYSA-N 1 1 471.467 -1.292 20 0 JAADMO COC(=O)[C@H]1CCCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)C1 ZINC001171260976 1067136039 /nfs/dbraw/zinc/13/60/39/1067136039.db2.gz IKRZDHCYSJCLAL-CEIJYURPSA-N 1 1 461.479 -1.422 20 0 JAADMO COC(=O)[C@@H]1CCCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nn2)C1 ZINC001171260977 1067136177 /nfs/dbraw/zinc/13/61/77/1067136177.db2.gz IKRZDHCYSJCLAL-XGRVOVSASA-N 1 1 461.479 -1.422 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CS(=O)(=O)CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260983 1067136308 /nfs/dbraw/zinc/13/63/08/1067136308.db2.gz IWKFCHJVURRZGV-XIDUGBJDSA-N 1 1 458.884 -1.687 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(CN4CCNC4=N[N+](=O)[O-])cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261271 1067136970 /nfs/dbraw/zinc/13/69/70/1067136970.db2.gz KUQVEHJQTZIINK-RAEVTNRLSA-N 1 1 461.439 -2.253 20 0 JAADMO CCNS(=O)(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(Cl)c1 ZINC001171261833 1067136997 /nfs/dbraw/zinc/13/69/97/1067136997.db2.gz AYCPOLUZBWMYIN-BPGGGUHBSA-N 1 1 460.900 -1.254 20 0 JAADMO COC(=O)C(C(=O)OC)c1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261841 1067137289 /nfs/dbraw/zinc/13/72/89/1067137289.db2.gz BHPDAUABCAQUHZ-SEWBAHNZSA-N 1 1 450.408 -2.381 20 0 JAADMO NC(=O)[C@H]1CCCN1C(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(Cl)c1 ZINC001171261884 1067137273 /nfs/dbraw/zinc/13/72/73/1067137273.db2.gz DFVOQJYLFWVBFR-FSVZYJJUSA-N 1 1 493.908 -1.463 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(Cl)c1 ZINC001171261885 1067137105 /nfs/dbraw/zinc/13/71/05/1067137105.db2.gz DFVOQJYLFWVBFR-QTOWJTHWSA-N 1 1 493.908 -1.463 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)NCC4CC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261887 1067137191 /nfs/dbraw/zinc/13/71/91/1067137191.db2.gz DKWYZTUXFDRJKZ-BASLNEPJSA-N 1 1 452.493 -1.518 20 0 JAADMO CC(C)(C)NS(=O)(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171261892 1067137027 /nfs/dbraw/zinc/13/70/27/1067137027.db2.gz DPNXGQZKVJNFKM-RAEVTNRLSA-N 1 1 454.509 -1.129 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)NCc4ccco4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262096 1067136913 /nfs/dbraw/zinc/13/69/13/1067136913.db2.gz HXPCOVHCVWCHNA-BNEJOLLZSA-N 1 1 478.487 -1.135 20 0 JAADMO COC(=O)C1CCN(c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ncn2)CC1 ZINC001171262158 1067137178 /nfs/dbraw/zinc/13/71/78/1067137178.db2.gz JSTSYAJBTKHFDL-BDQAWRDZSA-N 1 1 461.479 -1.422 20 0 JAADMO CN1CCN(S(=O)(=O)c2cccnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001171262266 1067137119 /nfs/dbraw/zinc/13/71/19/1067137119.db2.gz KMRSYYCXJWONDF-HALQFCHDSA-N 1 1 481.535 -2.270 20 0 JAADMO CS(=O)(=O)N1CCN(c2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)CC1 ZINC001171262699 1067137057 /nfs/dbraw/zinc/13/70/57/1067137057.db2.gz OWPGWTDVIOSRKU-BDQAWRDZSA-N 1 1 481.535 -1.959 20 0 JAADMO CCc1c(Cl)nc(S(C)(=O)=O)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262777 1067137157 /nfs/dbraw/zinc/13/71/57/1067137157.db2.gz QERVSXDDIKRJSU-IDTAVKCVSA-N 1 1 460.900 -1.192 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)cc([C@H]4CCC(=O)NC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263265 1067136878 /nfs/dbraw/zinc/13/68/78/1067136878.db2.gz XLNPKKNMKCDCQS-GJUNCMGISA-N 1 1 451.871 -1.164 20 0 JAADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)cc([C@@H]4CCC(=O)NC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263266 1067137080 /nfs/dbraw/zinc/13/70/80/1067137080.db2.gz XLNPKKNMKCDCQS-IKYARLNFSA-N 1 1 451.871 -1.164 20 0 JAADMO CN1CCN(S(=O)(=O)c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2)CC1 ZINC001171263392 1067137657 /nfs/dbraw/zinc/13/76/57/1067137657.db2.gz ZPWVXEBNAQWBKU-BNEJOLLZSA-N 1 1 481.535 -2.270 20 0 JAADMO COC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(S(N)(=O)=O)c1 ZINC001171263435 1067136935 /nfs/dbraw/zinc/13/69/35/1067136935.db2.gz OTALEHWLKMWOGK-LHNIVKCTSA-N 1 1 456.437 -2.772 20 0 JAADMO CCc1c(Cl)nc(CS(C)(=O)=O)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263607 1067137137 /nfs/dbraw/zinc/13/71/37/1067137137.db2.gz SDUJDGHMCPMZFC-RVXWVPLUSA-N 1 1 474.927 -1.051 20 0 JAADMO CC(=O)NC[C@H]1CN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c(F)c2)C(=O)O1 ZINC001171264356 1067138293 /nfs/dbraw/zinc/13/82/93/1067138293.db2.gz BFRVFWJAMCULIY-FMAJMWNWSA-N 1 1 492.464 -1.001 20 0 JAADMO C[C@H]1C(=O)NN=C2COc3ccc(Nc4ccn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5[NH3+])c(=O)n4)cc3N21 ZINC001171264456 1067137985 /nfs/dbraw/zinc/13/79/85/1067137985.db2.gz HBUVHWZXKNLWKA-ZCCXHBONSA-N 1 1 457.447 -1.570 20 0 JAADMO CCOC(=O)[C@H]1NC(=O)c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2O1 ZINC001171264527 1067138276 /nfs/dbraw/zinc/13/82/76/1067138276.db2.gz KVNWXRDWSRBZLS-FIFHEGHSSA-N 1 1 461.431 -1.590 20 0 JAADMO CCOC(=O)[C@@H]1NC(=O)c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2O1 ZINC001171264528 1067137878 /nfs/dbraw/zinc/13/78/78/1067137878.db2.gz KVNWXRDWSRBZLS-MDOOTNJJSA-N 1 1 461.431 -1.590 20 0 JAADMO COC(=O)C1CCN(c2ncc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cn2)CC1 ZINC001171264532 1067138089 /nfs/dbraw/zinc/13/80/89/1067138089.db2.gz KXPQZCCTMXSCID-MWQQHZPXSA-N 1 1 461.479 -1.422 20 0 JAADMO COC(=O)Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccc1S(N)(=O)=O ZINC001171266790 1067138059 /nfs/dbraw/zinc/13/80/59/1067138059.db2.gz MLFZCHOVQXWFEV-GAEVZRCVSA-N 1 1 469.476 -2.072 20 0 JAADMO CN(C)S(=O)(=O)n1cnc(-c2ccccc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171267258 1067138142 /nfs/dbraw/zinc/13/81/42/1067138142.db2.gz VOUWVMFQEHFHHH-NXWXRZEISA-N 1 1 491.530 -1.083 20 0 JAADMO COC(=O)[C@@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CCN1C(=O)c1ccccc1 ZINC001173490956 1067148174 /nfs/dbraw/zinc/14/81/74/1067148174.db2.gz FZXNFTCGQFELQF-BNGLOEMFSA-N 1 1 487.513 -1.086 20 0 JAADMO COC(=O)[C@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CCN1C(=O)c1ccccc1 ZINC001173490960 1067148084 /nfs/dbraw/zinc/14/80/84/1067148084.db2.gz FZXNFTCGQFELQF-PLMAOHFASA-N 1 1 487.513 -1.086 20 0 JAADMO COC(=O)[C@@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CCN1C(=O)c1ccccc1 ZINC001173490962 1067148421 /nfs/dbraw/zinc/14/84/21/1067148421.db2.gz FZXNFTCGQFELQF-POZCIEJDSA-N 1 1 487.513 -1.086 20 0 JAADMO COC(=O)[C@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CCN1C(=O)c1ccccc1 ZINC001173490965 1067148464 /nfs/dbraw/zinc/14/84/64/1067148464.db2.gz FZXNFTCGQFELQF-ZLIPZANWSA-N 1 1 487.513 -1.086 20 0 JAADMO CN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@H]2C1=O ZINC001175436150 1067148976 /nfs/dbraw/zinc/14/89/76/1067148976.db2.gz HNFMRPBNSMTATF-CALCHBBNSA-N 1 1 450.517 -1.130 20 0 JAADMO C[NH+]1CCN(C(=O)c2cccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)CC1 ZINC001175924331 1067149415 /nfs/dbraw/zinc/14/94/15/1067149415.db2.gz CKZZNGBACSOTGH-VGKBRBPRSA-N 1 1 460.491 -1.275 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)Cc1nn[nH]n1)C(N)=O ZINC001176847349 1067151081 /nfs/dbraw/zinc/15/10/81/1067151081.db2.gz SFEXGDYHYOABRQ-XEZPLFJOSA-N 1 1 451.532 -2.027 20 0 JAADMO Cc1nc(CC(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)n[nH]1 ZINC001177443414 1067153034 /nfs/dbraw/zinc/15/30/34/1067153034.db2.gz ZASMDKGSFVTSQJ-MPGHIAIKSA-N 1 1 464.571 -1.113 20 0 JAADMO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN1CC[NH+](C)CC1)C(N)=O ZINC001178956378 1067158494 /nfs/dbraw/zinc/15/84/94/1067158494.db2.gz PYTPLHMDAXHHMS-HOTGVXAUSA-N 1 1 458.629 -1.396 20 0 JAADMO C[N@H+]1C[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155577 1067160037 /nfs/dbraw/zinc/16/00/37/1067160037.db2.gz GZIWACSOFYQMAG-AIVZJVSBSA-N 1 1 475.539 -1.997 20 0 JAADMO C[N@H+]1C[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155578 1067160323 /nfs/dbraw/zinc/16/03/23/1067160323.db2.gz GZIWACSOFYQMAG-DGYIVEFISA-N 1 1 475.539 -1.997 20 0 JAADMO C[N@H+]1C[C@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155579 1067160227 /nfs/dbraw/zinc/16/02/27/1067160227.db2.gz GZIWACSOFYQMAG-KKHNULJSSA-N 1 1 475.539 -1.997 20 0 JAADMO C[N@H+]1C[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179155580 1067160860 /nfs/dbraw/zinc/16/08/60/1067160860.db2.gz GZIWACSOFYQMAG-KRIAZEKOSA-N 1 1 475.539 -1.997 20 0 JAADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001180410114 1067166532 /nfs/dbraw/zinc/16/65/32/1067166532.db2.gz PVDLGQMNAIIVEJ-SVBBWVNQSA-N 1 1 452.504 -1.132 20 0 JAADMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@H]1[C@H](n2ccc(N)nc2=O)O[C@H](CO)[C@H]1O ZINC001180411327 1067166284 /nfs/dbraw/zinc/16/62/84/1067166284.db2.gz ZTQVZLGFQQDFLX-ZLIPZANWSA-N 1 1 487.513 -1.275 20 0 JAADMO CN(CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)Cc1ccccc1 ZINC001181142272 1067172240 /nfs/dbraw/zinc/17/22/40/1067172240.db2.gz SNHPTKOMZCPBNC-UNFPFYSMSA-N 1 1 457.491 -1.085 20 0 JAADMO C[NH+]1CCC(O)(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CC1 ZINC001182031057 1067176168 /nfs/dbraw/zinc/17/61/68/1067176168.db2.gz KBHQNLPUUYTEKV-JKSUJKDBSA-N 1 1 451.549 -1.007 20 0 JAADMO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001183418010 1067187540 /nfs/dbraw/zinc/18/75/40/1067187540.db2.gz SYICIGDRRVYWIZ-CWZGAFTESA-N 1 1 459.576 -1.705 20 0 JAADMO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001183418014 1067187709 /nfs/dbraw/zinc/18/77/09/1067187709.db2.gz SYICIGDRRVYWIZ-JLEGEJIRSA-N 1 1 459.576 -1.705 20 0 JAADMO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001183418017 1067187579 /nfs/dbraw/zinc/18/75/79/1067187579.db2.gz SYICIGDRRVYWIZ-PVZJGROWSA-N 1 1 459.576 -1.705 20 0 JAADMO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001183418019 1067187602 /nfs/dbraw/zinc/18/76/02/1067187602.db2.gz SYICIGDRRVYWIZ-XILPYWAXSA-N 1 1 459.576 -1.705 20 0 JAADMO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001183776896 1067190491 /nfs/dbraw/zinc/19/04/91/1067190491.db2.gz RZURZDLUMCOSJR-DKIMLUQUSA-N 1 1 451.553 -2.217 20 0 JAADMO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001183776897 1067190165 /nfs/dbraw/zinc/19/01/65/1067190165.db2.gz RZURZDLUMCOSJR-LEUOFYLZSA-N 1 1 451.553 -2.217 20 0 JAADMO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001183776898 1067190308 /nfs/dbraw/zinc/19/03/08/1067190308.db2.gz RZURZDLUMCOSJR-RANZSIQMSA-N 1 1 451.553 -2.217 20 0 JAADMO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001183776899 1067190123 /nfs/dbraw/zinc/19/01/23/1067190123.db2.gz RZURZDLUMCOSJR-XOYOTBSWSA-N 1 1 451.553 -2.217 20 0 JAADMO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001185269857 1067195934 /nfs/dbraw/zinc/19/59/34/1067195934.db2.gz RKGYELKRQPRAJY-HRCADAONSA-N 1 1 458.629 -1.398 20 0 JAADMO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001185269858 1067196231 /nfs/dbraw/zinc/19/62/31/1067196231.db2.gz RKGYELKRQPRAJY-JYJNAYRXSA-N 1 1 458.629 -1.398 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CN(C)CCN1C)C(N)=O ZINC001185270288 1067196162 /nfs/dbraw/zinc/19/61/62/1067196162.db2.gz YMTRBUUJYCWLFV-OKYOBFRVSA-N 1 1 481.642 -1.537 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CN(C)CCN1C)C(N)=O ZINC001185270289 1067196080 /nfs/dbraw/zinc/19/60/80/1067196080.db2.gz YMTRBUUJYCWLFV-VJANTYMQSA-N 1 1 481.642 -1.537 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C[N@H+]2CC[C@H](O)C2)cc1 ZINC001186055539 1067201449 /nfs/dbraw/zinc/20/14/49/1067201449.db2.gz RRAQKLBDLWEBPT-AKJHWKIKSA-N 1 1 488.497 -1.076 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001186055539 1067201442 /nfs/dbraw/zinc/20/14/42/1067201442.db2.gz RRAQKLBDLWEBPT-AKJHWKIKSA-N 1 1 488.497 -1.076 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001186055546 1067201986 /nfs/dbraw/zinc/20/19/86/1067201986.db2.gz RRAQKLBDLWEBPT-HVXMAHFMSA-N 1 1 488.497 -1.076 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001186055546 1067201979 /nfs/dbraw/zinc/20/19/79/1067201979.db2.gz RRAQKLBDLWEBPT-HVXMAHFMSA-N 1 1 488.497 -1.076 20 0 JAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001186107902 1067202414 /nfs/dbraw/zinc/20/24/14/1067202414.db2.gz ZXQMVVLYXRYKKW-JYJNAYRXSA-N 1 1 453.540 -1.395 20 0 JAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001186107902 1067202401 /nfs/dbraw/zinc/20/24/01/1067202401.db2.gz ZXQMVVLYXRYKKW-JYJNAYRXSA-N 1 1 453.540 -1.395 20 0 JAADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C1 ZINC001186116706 1067202581 /nfs/dbraw/zinc/20/25/81/1067202581.db2.gz LKIBGLKWSXHRMY-JYJNAYRXSA-N 1 1 487.623 -1.148 20 0 JAADMO COC(=O)[C@H]1CC[N@H+](CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C1 ZINC001186116706 1067202571 /nfs/dbraw/zinc/20/25/71/1067202571.db2.gz LKIBGLKWSXHRMY-JYJNAYRXSA-N 1 1 487.623 -1.148 20 0 JAADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC[C@@H]2C1 ZINC001186627366 1067204034 /nfs/dbraw/zinc/20/40/34/1067204034.db2.gz LUYMJKLEXJCMRU-BEIYGRMHSA-N 1 1 469.583 -1.284 20 0 JAADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2)C1 ZINC001186627375 1067204605 /nfs/dbraw/zinc/20/46/05/1067204605.db2.gz MDUQAEONBSNZGJ-CFLDLGCGSA-N 1 1 496.609 -1.793 20 0 JAADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2)C1 ZINC001186627375 1067204594 /nfs/dbraw/zinc/20/45/94/1067204594.db2.gz MDUQAEONBSNZGJ-CFLDLGCGSA-N 1 1 496.609 -1.793 20 0 JAADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2)C1 ZINC001186627381 1067204655 /nfs/dbraw/zinc/20/46/55/1067204655.db2.gz MDUQAEONBSNZGJ-DSFVOBFGSA-N 1 1 496.609 -1.793 20 0 JAADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C2)C1 ZINC001186627381 1067204643 /nfs/dbraw/zinc/20/46/43/1067204643.db2.gz MDUQAEONBSNZGJ-DSFVOBFGSA-N 1 1 496.609 -1.793 20 0 JAADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2 ZINC001186628090 1067204711 /nfs/dbraw/zinc/20/47/11/1067204711.db2.gz RXSLHOQIHRPLHD-JYJNAYRXSA-N 1 1 466.583 -1.277 20 0 JAADMO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001186670033 1067210148 /nfs/dbraw/zinc/21/01/48/1067210148.db2.gz ZFOARWOBWNNDNW-OALUTQOASA-N 1 1 450.584 -1.142 20 0 JAADMO Cc1nnc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)[nH]1 ZINC001189875775 1067221277 /nfs/dbraw/zinc/22/12/77/1067221277.db2.gz IOQYGJRVGOTUJS-KKUMJFAQSA-N 1 1 450.544 -1.042 20 0 JAADMO OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=S)NCCC[NH+]2CCOCC2)[C@H](O)[C@@H]1O ZINC001199937748 1067240724 /nfs/dbraw/zinc/24/07/24/1067240724.db2.gz ONGYYKZDYROSOL-LSCFUAHRSA-N 1 1 453.525 -1.554 20 0 JAADMO OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=S)NCCC[NH+]2CCOCC2)[C@@H](O)[C@@H]1O ZINC001199937749 1067240467 /nfs/dbraw/zinc/24/04/67/1067240467.db2.gz ONGYYKZDYROSOL-MBMVNNNZSA-N 1 1 453.525 -1.554 20 0 JAADMO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=S)NCCC[NH+]2CCOCC2)[C@H](O)[C@@H]1O ZINC001199938193 1067240703 /nfs/dbraw/zinc/24/07/03/1067240703.db2.gz FFHTYSIXSHMGJU-QCUYGVNKSA-N 1 1 494.578 -1.410 20 0 JAADMO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=S)NCCC[NH+]2CCOCC2)[C@H]1O ZINC001199956923 1067241469 /nfs/dbraw/zinc/24/14/69/1067241469.db2.gz PFJZOCSLMDTOTM-NPNMTCQASA-N 1 1 480.595 -1.302 20 0 JAADMO C[NH+]1CCN(C(=O)c2ccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1 ZINC001201605193 1067241964 /nfs/dbraw/zinc/24/19/64/1067241964.db2.gz QCIYQFCGYNVVGI-VGKBRBPRSA-N 1 1 460.491 -1.275 20 0 JAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)O1 ZINC001209273329 1067340039 /nfs/dbraw/zinc/34/00/39/1067340039.db2.gz PPWUFUZYGAKNRC-PDCGBLAGSA-N 1 1 462.565 -1.546 20 0 JAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)O1 ZINC001209273329 1067340026 /nfs/dbraw/zinc/34/00/26/1067340026.db2.gz PPWUFUZYGAKNRC-PDCGBLAGSA-N 1 1 462.565 -1.546 20 0 JAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)O1 ZINC001209273337 1067340149 /nfs/dbraw/zinc/34/01/49/1067340149.db2.gz PPWUFUZYGAKNRC-PYTCMNEWSA-N 1 1 462.565 -1.546 20 0 JAADMO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)O1 ZINC001209273337 1067340135 /nfs/dbraw/zinc/34/01/35/1067340135.db2.gz PPWUFUZYGAKNRC-PYTCMNEWSA-N 1 1 462.565 -1.546 20 0 JAADMO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C2 ZINC001209273813 1067339955 /nfs/dbraw/zinc/33/99/55/1067339955.db2.gz VGTKHAAKRTVPMR-FKPGQJDZSA-N 1 1 451.524 -1.067 20 0 JAADMO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C2 ZINC001209273818 1067340235 /nfs/dbraw/zinc/34/02/35/1067340235.db2.gz VGTKHAAKRTVPMR-SHJAMOMRSA-N 1 1 451.524 -1.067 20 0 JAADMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C(=O)NCC(N)=O ZINC001209273921 1067340596 /nfs/dbraw/zinc/34/05/96/1067340596.db2.gz AFIQYPPRKRGDOI-RNGZQALNSA-N 1 1 458.556 -1.544 20 0 JAADMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)C(=O)NCC(N)=O ZINC001209273921 1067340585 /nfs/dbraw/zinc/34/05/85/1067340585.db2.gz AFIQYPPRKRGDOI-RNGZQALNSA-N 1 1 458.556 -1.544 20 0 JAADMO Nc1cn(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619328 1067341021 /nfs/dbraw/zinc/34/10/21/1067341021.db2.gz FBURIWJSJBWWDK-RXVVDRJESA-N 1 1 472.546 -1.304 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218621509 1067341683 /nfs/dbraw/zinc/34/16/83/1067341683.db2.gz VXJYASSFZFJQDY-UHFFFAOYSA-N 1 1 450.500 -3.749 20 0 JAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781132 1067344952 /nfs/dbraw/zinc/34/49/52/1067344952.db2.gz PEJVKXDQUQTMHF-AGIUHOORSA-N 1 1 457.963 -1.111 20 0 JAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218781140 1067345114 /nfs/dbraw/zinc/34/51/14/1067345114.db2.gz PEJVKXDQUQTMHF-AVGNSLFASA-N 1 1 457.963 -1.111 20 0 JAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218781142 1067345005 /nfs/dbraw/zinc/34/50/05/1067345005.db2.gz PEJVKXDQUQTMHF-FRRDWIJNSA-N 1 1 457.963 -1.111 20 0 JAADMO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781144 1067345272 /nfs/dbraw/zinc/34/52/72/1067345272.db2.gz PEJVKXDQUQTMHF-RWMBFGLXSA-N 1 1 457.963 -1.111 20 0 JAADMO Nc1ncn(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782262 1067345162 /nfs/dbraw/zinc/34/51/62/1067345162.db2.gz UQKOEVAKYWMSFT-IPYPFGDCSA-N 1 1 477.957 -1.043 20 0 JAADMO Nc1ncn(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782265 1067345094 /nfs/dbraw/zinc/34/50/94/1067345094.db2.gz UQKOEVAKYWMSFT-KCQAQPDRSA-N 1 1 477.957 -1.043 20 0 JAADMO Nc1ncn(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782268 1067345186 /nfs/dbraw/zinc/34/51/86/1067345186.db2.gz UQKOEVAKYWMSFT-VNHYZAJKSA-N 1 1 477.957 -1.043 20 0 JAADMO Nc1ncn(C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782270 1067344878 /nfs/dbraw/zinc/34/48/78/1067344878.db2.gz UQKOEVAKYWMSFT-YDHLFZDLSA-N 1 1 477.957 -1.043 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218785777 1067345150 /nfs/dbraw/zinc/34/51/50/1067345150.db2.gz VCMSIZJAKLMFRX-CRWXNKLISA-N 1 1 482.973 -1.916 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218785778 1067345070 /nfs/dbraw/zinc/34/50/70/1067345070.db2.gz VCMSIZJAKLMFRX-RFQIPJPRSA-N 1 1 482.973 -1.916 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218785779 1067345250 /nfs/dbraw/zinc/34/52/50/1067345250.db2.gz VCMSIZJAKLMFRX-XDQVBPFNSA-N 1 1 482.973 -1.916 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218785780 1067345227 /nfs/dbraw/zinc/34/52/27/1067345227.db2.gz VCMSIZJAKLMFRX-XUXIUFHCSA-N 1 1 482.973 -1.916 20 0 JAADMO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218876422 1067345815 /nfs/dbraw/zinc/34/58/15/1067345815.db2.gz IHCYPFYYEFMOEX-JTQLQIEISA-N 1 1 454.962 -1.676 20 0 JAADMO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218876423 1067345524 /nfs/dbraw/zinc/34/55/24/1067345524.db2.gz IHCYPFYYEFMOEX-SNVBAGLBSA-N 1 1 454.962 -1.676 20 0 JAADMO CCN1CCN(c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2F)CC1 ZINC001218888341 1067346200 /nfs/dbraw/zinc/34/62/00/1067346200.db2.gz IOAOAFZOVAFHPE-UHFFFAOYSA-N 1 1 451.503 -1.787 20 0 JAADMO CCOC(=O)C1CCN(Cc2cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2)CC1 ZINC001218963156 1067346029 /nfs/dbraw/zinc/34/60/29/1067346029.db2.gz NAGQJPOFEPMVSE-UHFFFAOYSA-N 1 1 490.561 -1.293 20 0 JAADMO C[NH+]1CCC(COc2cccc(F)c2NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001219299803 1067346948 /nfs/dbraw/zinc/34/69/48/1067346948.db2.gz SSANVGGCNCAMHV-UHFFFAOYSA-N 1 1 466.514 -1.208 20 0 JAADMO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001219489830 1067346844 /nfs/dbraw/zinc/34/68/44/1067346844.db2.gz WKKFOZOKHFUDDX-UHFFFAOYSA-N 1 1 477.566 -1.529 20 0 JAADMO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)Cn1ccnc12 ZINC001219676672 1067347740 /nfs/dbraw/zinc/34/77/40/1067347740.db2.gz SLIBZAVQPUYWIV-INIZCTEOSA-N 1 1 483.595 -1.394 20 0 JAADMO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)Cn1ccnc12 ZINC001219676673 1067347619 /nfs/dbraw/zinc/34/76/19/1067347619.db2.gz SLIBZAVQPUYWIV-MRXNPFEDSA-N 1 1 483.595 -1.394 20 0 JAADMO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)NCCS(=O)(=O)N3CC[NH2+]CC3)=C([C@H]3CCCO3)S[C@H]12 ZINC001219678232 1067347507 /nfs/dbraw/zinc/34/75/07/1067347507.db2.gz IAAIZIQXTGTXOS-ZIVKBKJYSA-N 1 1 460.578 -1.360 20 0 JAADMO O=C(CNC(=O)OCC1=Cc2ccccc2S1(=O)=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678291 1067347670 /nfs/dbraw/zinc/34/76/70/1067347670.db2.gz JPRKCMCIGURMLQ-UHFFFAOYSA-N 1 1 472.545 -1.108 20 0 JAADMO O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001219678324 1067347717 /nfs/dbraw/zinc/34/77/17/1067347717.db2.gz KRJOHIPYBUGJSS-IRXDYDNUSA-N 1 1 451.549 -1.656 20 0 JAADMO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c(=O)[nH]1 ZINC001219678351 1067347461 /nfs/dbraw/zinc/34/74/61/1067347461.db2.gz LSKHSZLRIBDTCB-UHFFFAOYSA-N 1 1 454.513 -1.522 20 0 JAADMO CCN1CCN(C(=O)N[C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c2ccccc2)C(=O)C1=O ZINC001219678401 1067347531 /nfs/dbraw/zinc/34/75/31/1067347531.db2.gz NHLUYDAECVZETJ-QGZVFWFLSA-N 1 1 494.574 -1.521 20 0 JAADMO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678483 1067347641 /nfs/dbraw/zinc/34/76/41/1067347641.db2.gz PWRGDZYGJYUCOX-IRXDYDNUSA-N 1 1 486.595 -2.544 20 0 JAADMO O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001219678572 1067347367 /nfs/dbraw/zinc/34/73/67/1067347367.db2.gz TZPUOLWIJMTQLG-OALUTQOASA-N 1 1 490.586 -1.175 20 0 JAADMO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C(C)C ZINC001219678686 1067347430 /nfs/dbraw/zinc/34/74/30/1067347430.db2.gz ZTTMRRHEFRDFEV-GJZGRUSLSA-N 1 1 451.615 -1.654 20 0 JAADMO CN1CCN(C)[C@H](c2nnc3ccc(C(=O)NCCS(=O)(=O)N4CC[NH2+]CC4)cn32)C1 ZINC001219680353 1067347282 /nfs/dbraw/zinc/34/72/82/1067347282.db2.gz DQJHUWIWZVLBGU-INIZCTEOSA-N 1 1 450.569 -1.388 20 0 JAADMO CN1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCCS(=O)(=O)N4CC[NH2+]CC4)cn32)C1 ZINC001219680354 1067348107 /nfs/dbraw/zinc/34/81/07/1067348107.db2.gz DQJHUWIWZVLBGU-MRXNPFEDSA-N 1 1 450.569 -1.388 20 0 JAADMO CN1Cc2c(C(=O)NCCS(=O)(=O)N3CC[NH2+]CC3)ncn2-c2ccccc2S1(=O)=O ZINC001219680389 1067348375 /nfs/dbraw/zinc/34/83/75/1067348375.db2.gz GDRAFKISZOKSJL-UHFFFAOYSA-N 1 1 468.561 -1.029 20 0 JAADMO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC001219680406 1067348241 /nfs/dbraw/zinc/34/82/41/1067348241.db2.gz GREMYWSVOOREHA-UHFFFAOYSA-N 1 1 473.621 -1.193 20 0 JAADMO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCCS(=O)(=O)N4CC[NH2+]CC4)cn32)C1 ZINC001219680709 1067348011 /nfs/dbraw/zinc/34/80/11/1067348011.db2.gz VBLZPYJAPOSOBP-AWEZNQCLSA-N 1 1 485.592 -1.557 20 0 JAADMO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCCS(=O)(=O)N4CC[NH2+]CC4)cn32)C1 ZINC001219680710 1067347987 /nfs/dbraw/zinc/34/79/87/1067347987.db2.gz VBLZPYJAPOSOBP-CQSZACIVSA-N 1 1 485.592 -1.557 20 0 JAADMO CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCS(=O)(=O)N4CC[NH2+]CC4)cn32)CC1 ZINC001219680738 1067348144 /nfs/dbraw/zinc/34/81/44/1067348144.db2.gz WQNKODMZKSBWDY-UHFFFAOYSA-N 1 1 498.631 -1.014 20 0 JAADMO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1nnc2n1CCCNC2)C(=O)CF ZINC001219750016 1067348199 /nfs/dbraw/zinc/34/81/99/1067348199.db2.gz UMJAFGJBYUZDMG-LXIYXOSZSA-N 1 1 468.534 -1.711 20 0 JAADMO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808242 1067348350 /nfs/dbraw/zinc/34/83/50/1067348350.db2.gz ZNMKWBODRGTVGP-ROUUACIJSA-N 1 1 487.561 -1.529 20 0 JAADMO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1noc2c1CNCC2)C(=O)CF ZINC001219811155 1067348070 /nfs/dbraw/zinc/34/80/70/1067348070.db2.gz MATIEPJLLNXRHM-FNFWKMNBSA-N 1 1 454.503 -1.162 20 0 JAADMO COc1cccc(N=c2ncn(C(=O)CNC(=O)CN)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220013045 1067349127 /nfs/dbraw/zinc/34/91/27/1067349127.db2.gz HAJNQUYNFSFYGN-RTBURBONSA-N 1 1 482.545 -1.014 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C=C1CC[NH2+]CC1)c(N)nc2=O ZINC001220121756 1067350050 /nfs/dbraw/zinc/35/00/50/1067350050.db2.gz ALDPYMPZWNHSLZ-GOEBONIOSA-N 1 1 477.522 -1.013 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C=C1CC[NH2+]CC1)c(N)nc2=O ZINC001220121757 1067349943 /nfs/dbraw/zinc/34/99/43/1067349943.db2.gz ALDPYMPZWNHSLZ-HOCLYGCPSA-N 1 1 477.522 -1.013 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCCC[NH2+]1)c(N)nc2=O ZINC001220121764 1067350086 /nfs/dbraw/zinc/35/00/86/1067350086.db2.gz APWUHLIHPYAZSW-IHRRRGAJSA-N 1 1 465.511 -1.181 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCCC[NH2+]1)c(N)nc2=O ZINC001220121765 1067349967 /nfs/dbraw/zinc/34/99/67/1067349967.db2.gz APWUHLIHPYAZSW-MELADBBJSA-N 1 1 465.511 -1.181 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[NH2+]CC1(C)C)c(N)nc2=O ZINC001220121766 1067349779 /nfs/dbraw/zinc/34/97/79/1067349779.db2.gz AQBYHBCLZOEJKW-BFHYXJOUSA-N 1 1 479.538 -1.078 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH2+]CC1(C)C)c(N)nc2=O ZINC001220121767 1067349989 /nfs/dbraw/zinc/34/99/89/1067349989.db2.gz AQBYHBCLZOEJKW-IHRRRGAJSA-N 1 1 479.538 -1.078 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH2+]CC1(C)C)c(N)nc2=O ZINC001220121768 1067349800 /nfs/dbraw/zinc/34/98/00/1067349800.db2.gz AQBYHBCLZOEJKW-MELADBBJSA-N 1 1 479.538 -1.078 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[NH2+]CC1(C)C)c(N)nc2=O ZINC001220121769 1067350144 /nfs/dbraw/zinc/35/01/44/1067350144.db2.gz AQBYHBCLZOEJKW-MJBXVCDLSA-N 1 1 479.538 -1.078 20 0 JAADMO C[NH2+]CCCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001220121770 1067350107 /nfs/dbraw/zinc/35/01/07/1067350107.db2.gz ARGVIFMEAQVPDS-GXTWGEPZSA-N 1 1 453.500 -1.324 20 0 JAADMO C[NH2+]CCCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001220121772 1067349674 /nfs/dbraw/zinc/34/96/74/1067349674.db2.gz ARGVIFMEAQVPDS-JSGCOSHPSA-N 1 1 453.500 -1.324 20 0 JAADMO C[NH2+]C(C)(C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001220121809 1067349826 /nfs/dbraw/zinc/34/98/26/1067349826.db2.gz BGJZBHLSMSNNMC-NWDGAFQWSA-N 1 1 453.500 -1.325 20 0 JAADMO C[NH2+]C(C)(C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001220121810 1067349904 /nfs/dbraw/zinc/34/99/04/1067349904.db2.gz BGJZBHLSMSNNMC-RYUDHWBXSA-N 1 1 453.500 -1.325 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@]13CC[NH2+]C3)c(N)nc2=O ZINC001220121813 1067349730 /nfs/dbraw/zinc/34/97/30/1067349730.db2.gz BGYIISJEQNDBQA-BWNADHONSA-N 1 1 477.522 -1.324 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@]13CC[NH2+]C3)c(N)nc2=O ZINC001220121815 1067350010 /nfs/dbraw/zinc/35/00/10/1067350010.db2.gz BGYIISJEQNDBQA-HSAVKHBNSA-N 1 1 477.522 -1.324 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@@]13CC[NH2+]C3)c(N)nc2=O ZINC001220121819 1067349707 /nfs/dbraw/zinc/34/97/07/1067349707.db2.gz BGYIISJEQNDBQA-RXDHQFPFSA-N 1 1 477.522 -1.324 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@]13CC[NH2+]C3)c(N)nc2=O ZINC001220121822 1067349873 /nfs/dbraw/zinc/34/98/73/1067349873.db2.gz BGYIISJEQNDBQA-RZNKXZLBSA-N 1 1 477.522 -1.324 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC[NH2+]CC1)c(N)nc2=O ZINC001220122124 1067350029 /nfs/dbraw/zinc/35/00/29/1067350029.db2.gz DAWJQGAPHNAWCZ-KBPBESRZSA-N 1 1 465.511 -1.324 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC[NH2+]CC1)c(N)nc2=O ZINC001220122127 1067350122 /nfs/dbraw/zinc/35/01/22/1067350122.db2.gz DAWJQGAPHNAWCZ-UONOGXRCSA-N 1 1 465.511 -1.324 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCCC[NH3+])c(N)nc2=O ZINC001220122144 1067350066 /nfs/dbraw/zinc/35/00/66/1067350066.db2.gz DEOYTDMNAKEHIQ-GXTWGEPZSA-N 1 1 453.500 -1.194 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)CCCC[NH3+])c(N)nc2=O ZINC001220122145 1067350728 /nfs/dbraw/zinc/35/07/28/1067350728.db2.gz DEOYTDMNAKEHIQ-JSGCOSHPSA-N 1 1 453.500 -1.194 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CC(C1)C[NH2+]3)c(N)nc2=O ZINC001220122215 1067350366 /nfs/dbraw/zinc/35/03/66/1067350366.db2.gz FBMUUGPHMOKQPE-YLVVLEIVSA-N 1 1 463.495 -1.571 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CC(C1)C[NH2+]3)c(N)nc2=O ZINC001220122216 1067350443 /nfs/dbraw/zinc/35/04/43/1067350443.db2.gz FBMUUGPHMOKQPE-ZLHLQJQBSA-N 1 1 463.495 -1.571 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC[C@H]1[NH3+])c(N)nc2=O ZINC001220122236 1067350633 /nfs/dbraw/zinc/35/06/33/1067350633.db2.gz FXBVHUUITBCVPN-DGAVXFQQSA-N 1 1 465.511 -1.196 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CCC[C@H]1[NH3+])c(N)nc2=O ZINC001220122237 1067350532 /nfs/dbraw/zinc/35/05/32/1067350532.db2.gz FXBVHUUITBCVPN-REWJHTLYSA-N 1 1 465.511 -1.196 20 0 JAADMO CC(C)[C@H](C[NH3+])C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001220122238 1067350608 /nfs/dbraw/zinc/35/06/08/1067350608.db2.gz FXNDYEXFNDECSH-IHRRRGAJSA-N 1 1 467.527 -1.092 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C[NH3+])C(C)C)c(N)nc2=O ZINC001220122239 1067350315 /nfs/dbraw/zinc/35/03/15/1067350315.db2.gz FXNDYEXFNDECSH-MELADBBJSA-N 1 1 467.527 -1.092 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]1(C)CCC[NH2+]1)c(N)nc2=O ZINC001220122252 1067350682 /nfs/dbraw/zinc/35/06/82/1067350682.db2.gz GPSGMDNSNKVHRI-KQHSUYLTSA-N 1 1 465.511 -1.181 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]1(C)CCC[NH2+]1)c(N)nc2=O ZINC001220122253 1067350516 /nfs/dbraw/zinc/35/05/16/1067350516.db2.gz GPSGMDNSNKVHRI-MRRFBWAASA-N 1 1 465.511 -1.181 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]1(C)CCC[NH2+]1)c(N)nc2=O ZINC001220122254 1067350428 /nfs/dbraw/zinc/35/04/28/1067350428.db2.gz GPSGMDNSNKVHRI-QAJFTPDKSA-N 1 1 465.511 -1.181 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]1(C)CCC[NH2+]1)c(N)nc2=O ZINC001220122255 1067350707 /nfs/dbraw/zinc/35/07/07/1067350707.db2.gz GPSGMDNSNKVHRI-RDXCRGQUSA-N 1 1 465.511 -1.181 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]3CC[C@H]1[NH2+]3)c(N)nc2=O ZINC001220122259 1067350492 /nfs/dbraw/zinc/35/04/92/1067350492.db2.gz GSMQUXPFRRRJCZ-BTFPBAQTSA-N 1 1 477.522 -1.183 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@@H]3CC[C@H]1[NH2+]3)c(N)nc2=O ZINC001220122260 1067350659 /nfs/dbraw/zinc/35/06/59/1067350659.db2.gz GSMQUXPFRRRJCZ-LXFSFDBISA-N 1 1 477.522 -1.183 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+]C[C@H]3[C@@H]1C3(C)C)c(N)nc2=O ZINC001220122371 1067350340 /nfs/dbraw/zinc/35/03/40/1067350340.db2.gz HFUQCWZJHLEPFG-LXFSFDBISA-N 1 1 491.549 -1.079 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+]C[C@H]3[C@@H]1C3(C)C)c(N)nc2=O ZINC001220122372 1067350410 /nfs/dbraw/zinc/35/04/10/1067350410.db2.gz HFUQCWZJHLEPFG-YTFOTSKYSA-N 1 1 491.549 -1.079 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001220122427 1067350582 /nfs/dbraw/zinc/35/05/82/1067350582.db2.gz IUVKPDKFZXAEGV-ARKGTOAJSA-N 1 1 491.549 -1.078 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1C[C@H]3C[NH2+]C[C@H]3C1)c(N)nc2=O ZINC001220122428 1067350470 /nfs/dbraw/zinc/35/04/70/1067350470.db2.gz IUVKPDKFZXAEGV-QMHWVQJVSA-N 1 1 491.549 -1.078 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)c(N)nc2=O ZINC001220122439 1067350552 /nfs/dbraw/zinc/35/05/52/1067350552.db2.gz JBFYBRJZPUKNAF-BJJPWKGXSA-N 1 1 463.495 -1.573 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)c(N)nc2=O ZINC001220122440 1067351339 /nfs/dbraw/zinc/35/13/39/1067351339.db2.gz JBFYBRJZPUKNAF-XHJNMGKDSA-N 1 1 463.495 -1.573 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC3(CC3)C[NH2+]1)c(N)nc2=O ZINC001220122445 1067351023 /nfs/dbraw/zinc/35/10/23/1067351023.db2.gz JIWNVYAMXIYHBR-IHRRRGAJSA-N 1 1 477.522 -1.181 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC3(CC3)C[NH2+]1)c(N)nc2=O ZINC001220122446 1067351144 /nfs/dbraw/zinc/35/11/44/1067351144.db2.gz JIWNVYAMXIYHBR-MELADBBJSA-N 1 1 477.522 -1.181 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)c(N)nc2=O ZINC001220122594 1067351054 /nfs/dbraw/zinc/35/10/54/1067351054.db2.gz LFWNMCBXZDEPJX-CCKXHYTFSA-N 1 1 463.495 -1.571 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]13C[C@@H]1CC[NH2+]3)c(N)nc2=O ZINC001220122595 1067351179 /nfs/dbraw/zinc/35/11/79/1067351179.db2.gz LFWNMCBXZDEPJX-WNIMPLFLSA-N 1 1 463.495 -1.571 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)c(N)nc2=O ZINC001220122704 1067350995 /nfs/dbraw/zinc/35/09/95/1067350995.db2.gz MIYLRMVXXOFEBM-XHJNMGKDSA-N 1 1 463.495 -1.715 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[NH2+]C[C@H]3C[C@H]31)c(N)nc2=O ZINC001220122707 1067351107 /nfs/dbraw/zinc/35/11/07/1067351107.db2.gz MIYLRMVXXOFEBM-XVIXHAIJSA-N 1 1 463.495 -1.715 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@@H]([NH3+])C1CC1)c(N)nc2=O ZINC001220122820 1067350974 /nfs/dbraw/zinc/35/09/74/1067350974.db2.gz NPJCHSMUNFGLKF-GUTXKFCHSA-N 1 1 465.511 -1.196 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@@H]([NH3+])C1CC1)c(N)nc2=O ZINC001220122822 1067351290 /nfs/dbraw/zinc/35/12/90/1067351290.db2.gz NPJCHSMUNFGLKF-GZBFAFLISA-N 1 1 465.511 -1.196 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@H]([NH3+])C1CC1)c(N)nc2=O ZINC001220122825 1067351272 /nfs/dbraw/zinc/35/12/72/1067351272.db2.gz NPJCHSMUNFGLKF-KCQAQPDRSA-N 1 1 465.511 -1.196 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[C@H]([NH3+])C1CC1)c(N)nc2=O ZINC001220122828 1067351313 /nfs/dbraw/zinc/35/13/13/1067351313.db2.gz NPJCHSMUNFGLKF-YDHLFZDLSA-N 1 1 465.511 -1.196 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC(C[NH3+])C1)c(N)nc2=O ZINC001220122942 1067351234 /nfs/dbraw/zinc/35/12/34/1067351234.db2.gz PBEBEXSNZNTHNN-CLRIEMFWSA-N 1 1 465.511 -1.338 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1CC(C[NH3+])C1)c(N)nc2=O ZINC001220122943 1067350909 /nfs/dbraw/zinc/35/09/09/1067350909.db2.gz PBEBEXSNZNTHNN-HOAMVYINSA-N 1 1 465.511 -1.338 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)c(N)nc2=O ZINC001220122969 1067351194 /nfs/dbraw/zinc/35/11/94/1067351194.db2.gz PUUZBTDMEYQPSD-HPCHECBXSA-N 1 1 463.495 -1.858 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)c(N)nc2=O ZINC001220122970 1067351252 /nfs/dbraw/zinc/35/12/52/1067351252.db2.gz PUUZBTDMEYQPSD-ODXJTPSBSA-N 1 1 463.495 -1.858 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[C@@H]3C[NH2+]C[C@@H]31)c(N)nc2=O ZINC001220122971 1067350941 /nfs/dbraw/zinc/35/09/41/1067350941.db2.gz PUUZBTDMEYQPSD-PDWCTOEPSA-N 1 1 463.495 -1.858 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)c(N)nc2=O ZINC001220122972 1067351083 /nfs/dbraw/zinc/35/10/83/1067351083.db2.gz PUUZBTDMEYQPSD-QNSTZXKLSA-N 1 1 463.495 -1.858 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH2+]CC[C@H]1C)c(N)nc2=O ZINC001220122985 1067351128 /nfs/dbraw/zinc/35/11/28/1067351128.db2.gz QORHLTNHBLGNFY-BARDWOONSA-N 1 1 479.538 -1.078 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1C[NH2+]CC[C@H]1C)c(N)nc2=O ZINC001220122986 1067351763 /nfs/dbraw/zinc/35/17/63/1067351763.db2.gz QORHLTNHBLGNFY-LXTVHRRPSA-N 1 1 479.538 -1.078 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(C)(C)C[NH3+])c(N)nc2=O ZINC001220122998 1067351793 /nfs/dbraw/zinc/35/17/93/1067351793.db2.gz RCWRALOHJHFAGC-NWDGAFQWSA-N 1 1 453.500 -1.338 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C(C)(C)C[NH3+])c(N)nc2=O ZINC001220122999 1067351566 /nfs/dbraw/zinc/35/15/66/1067351566.db2.gz RCWRALOHJHFAGC-RYUDHWBXSA-N 1 1 453.500 -1.338 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[C@@H]1[NH3+])c(N)nc2=O ZINC001220123006 1067351937 /nfs/dbraw/zinc/35/19/37/1067351937.db2.gz RPRJJVUPRQMFNI-CYDGBPFRSA-N 1 1 451.484 -1.586 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1CC[C@@H]1[NH3+])c(N)nc2=O ZINC001220123007 1067351712 /nfs/dbraw/zinc/35/17/12/1067351712.db2.gz RPRJJVUPRQMFNI-ZDEQEGDKSA-N 1 1 451.484 -1.586 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220123079 1067351609 /nfs/dbraw/zinc/35/16/09/1067351609.db2.gz VAMYFQOJXXRTNM-KQHSUYLTSA-N 1 1 465.511 -1.324 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220123080 1067351653 /nfs/dbraw/zinc/35/16/53/1067351653.db2.gz VAMYFQOJXXRTNM-MRRFBWAASA-N 1 1 465.511 -1.324 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220123081 1067351984 /nfs/dbraw/zinc/35/19/84/1067351984.db2.gz VAMYFQOJXXRTNM-QAJFTPDKSA-N 1 1 465.511 -1.324 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]1(C)CC[NH2+]C1)c(N)nc2=O ZINC001220123082 1067351870 /nfs/dbraw/zinc/35/18/70/1067351870.db2.gz VAMYFQOJXXRTNM-RDXCRGQUSA-N 1 1 465.511 -1.324 20 0 JAADMO CC(C)[NH2+]CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H](N)C(C)C)c(=O)nc1N ZINC001220123134 1067351955 /nfs/dbraw/zinc/35/19/55/1067351955.db2.gz WPLUIKDQCLCJSS-GXTWGEPZSA-N 1 1 453.500 -1.325 20 0 JAADMO CC(C)[NH2+]CC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H](N)C(C)C)c(=O)nc1N ZINC001220123135 1067351674 /nfs/dbraw/zinc/35/16/74/1067351674.db2.gz WPLUIKDQCLCJSS-JSGCOSHPSA-N 1 1 453.500 -1.325 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+][C@H]3CC[C@@H]1C3)c(N)nc2=O ZINC001220123140 1067351818 /nfs/dbraw/zinc/35/18/18/1067351818.db2.gz WZYTZCSZSOUXOT-FQKPHLNHSA-N 1 1 477.522 -1.183 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+][C@H]3CC[C@@H]1C3)c(N)nc2=O ZINC001220123141 1067351586 /nfs/dbraw/zinc/35/15/86/1067351586.db2.gz WZYTZCSZSOUXOT-QTVXIADOSA-N 1 1 477.522 -1.183 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]13CC[C@H]1C[NH2+]C3)c(N)nc2=O ZINC001220123152 1067351526 /nfs/dbraw/zinc/35/15/26/1067351526.db2.gz XQLQKWAEKRAEBJ-BWNADHONSA-N 1 1 477.522 -1.324 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@]13CC[C@@H]1C[NH2+]C3)c(N)nc2=O ZINC001220123153 1067352279 /nfs/dbraw/zinc/35/22/79/1067352279.db2.gz XQLQKWAEKRAEBJ-IDGQHGNYSA-N 1 1 477.522 -1.324 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]13CC[C@@H]1C[NH2+]C3)c(N)nc2=O ZINC001220123154 1067352303 /nfs/dbraw/zinc/35/23/03/1067352303.db2.gz XQLQKWAEKRAEBJ-PBMXDMTDSA-N 1 1 477.522 -1.324 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@]13CC[C@H]1C[NH2+]C3)c(N)nc2=O ZINC001220123155 1067352581 /nfs/dbraw/zinc/35/25/81/1067352581.db2.gz XQLQKWAEKRAEBJ-RXDHQFPFSA-N 1 1 477.522 -1.324 20 0 JAADMO CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1([NH3+])CCCC1)c(N)nc2=O ZINC001220123214 1067352600 /nfs/dbraw/zinc/35/26/00/1067352600.db2.gz ZSMWZCSFPCAWOM-QWHCGFSZSA-N 1 1 465.511 -1.052 20 0 JAADMO CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C1([NH3+])CCCC1)c(N)nc2=O ZINC001220123215 1067352242 /nfs/dbraw/zinc/35/22/42/1067352242.db2.gz ZSMWZCSFPCAWOM-STQMWFEESA-N 1 1 465.511 -1.052 20 0 JAADMO COC(=O)[C@]1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCN(Cc2ccccc2)C1 ZINC001220228790 1067352431 /nfs/dbraw/zinc/35/24/31/1067352431.db2.gz YBGHIFBNOHOOFT-NRFANRHFSA-N 1 1 462.507 -2.772 20 0 JAADMO COC(=O)[C@@]1(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CCN(Cc2ccccc2)C1 ZINC001220228791 1067352643 /nfs/dbraw/zinc/35/26/43/1067352643.db2.gz YBGHIFBNOHOOFT-OAQYLSRUSA-N 1 1 462.507 -2.772 20 0 JAADMO CCOC(=O)[C@H](NC(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284584 1067353142 /nfs/dbraw/zinc/35/31/42/1067353142.db2.gz SPXBKACHFRSLRT-KSZLIROESA-N 1 1 456.565 -1.078 20 0 JAADMO CCOC(=O)[C@H](NC(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284585 1067352889 /nfs/dbraw/zinc/35/28/89/1067352889.db2.gz SPXBKACHFRSLRT-KURKYZTESA-N 1 1 456.565 -1.078 20 0 JAADMO Cc1cnc2c(N(CC[NH3+])C(=O)CNC(=O)CNC(=O)CNC(=O)CN)nc3ccc(C)cc3n12 ZINC001220456053 1067353531 /nfs/dbraw/zinc/35/35/31/1067353531.db2.gz AEFARELBOYFZFL-UHFFFAOYSA-N 1 1 483.533 -1.902 20 0 JAADMO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)cc2)CC1 ZINC001220515971 1067354573 /nfs/dbraw/zinc/35/45/73/1067354573.db2.gz NHYRSBMNNJRDKE-QQFBHYJXSA-N 1 1 475.550 -1.984 20 0 JAADMO CC(C)([NH3+])CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)S(=O)(=O)c1ccccc1 ZINC001220535597 1067354399 /nfs/dbraw/zinc/35/43/99/1067354399.db2.gz GRBQHZJILZARKP-UHFFFAOYSA-N 1 1 456.525 -2.752 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001220542283 1067354550 /nfs/dbraw/zinc/35/45/50/1067354550.db2.gz RVXXDJWNJZGHLS-WZOJCFFYSA-N 1 1 458.563 -1.052 20 0 JAADMO CC(=O)NCSC[C@H](N)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749053 1067354977 /nfs/dbraw/zinc/35/49/77/1067354977.db2.gz ODDXVOUGGUIJIL-NSHDSACASA-N 1 1 459.554 -1.081 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)cc1 ZINC001220765712 1067355615 /nfs/dbraw/zinc/35/56/15/1067355615.db2.gz DBZPBIRCRFGTIF-GEGKCPRNSA-N 1 1 473.486 -1.453 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)cc1 ZINC001220765713 1067355538 /nfs/dbraw/zinc/35/55/38/1067355538.db2.gz DBZPBIRCRFGTIF-HBLADSJTSA-N 1 1 473.486 -1.453 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC001220766078 1067355956 /nfs/dbraw/zinc/35/59/56/1067355956.db2.gz LDJSPJDNFXYPHP-MIGDXVIRSA-N 1 1 474.470 -1.154 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C2([NH3+])COC2)cc1 ZINC001220766374 1067356095 /nfs/dbraw/zinc/35/60/95/1067356095.db2.gz QYVTVALYBYMKDU-MWQQHZPXSA-N 1 1 460.443 -1.415 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]2COC[NH2+]2)cc1 ZINC001220766440 1067356314 /nfs/dbraw/zinc/35/63/14/1067356314.db2.gz SGVMQURGNLKEQV-PKMBHRFZSA-N 1 1 460.443 -1.197 20 0 JAADMO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)CNCCC[NH3+])cc1 ZINC001220766779 1067356660 /nfs/dbraw/zinc/35/66/60/1067356660.db2.gz XMTZDJSIDDUQAM-HUYLIWGRSA-N 1 1 475.502 -1.204 20 0 JAADMO Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCCN2CC[NH2+]CC2=O)cc1 ZINC001220874864 1067357054 /nfs/dbraw/zinc/35/70/54/1067357054.db2.gz PARJARYIUKUZQJ-KRWDZBQOSA-N 1 1 451.549 -1.188 20 0 JAADMO CN(C)C(=O)CN1Cc2c(C(=O)NCCN3CC[NH2+]CC3=O)ncn2-c2ccccc2S1(=O)=O ZINC001220876472 1067357010 /nfs/dbraw/zinc/35/70/10/1067357010.db2.gz KGFJDIDWEOJABY-UHFFFAOYSA-N 1 1 489.558 -1.374 20 0 JAADMO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCCN4CC[NH2+]CC4=O)cn32)C1 ZINC001220877015 1067356824 /nfs/dbraw/zinc/35/68/24/1067356824.db2.gz RZPUJKGHFIZHBC-INIZCTEOSA-N 1 1 457.539 -1.139 20 0 JAADMO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCCN4CC[NH2+]CC4=O)cn32)C1 ZINC001220877016 1067356915 /nfs/dbraw/zinc/35/69/15/1067356915.db2.gz RZPUJKGHFIZHBC-MRXNPFEDSA-N 1 1 457.539 -1.139 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900162 1067356880 /nfs/dbraw/zinc/35/68/80/1067356880.db2.gz CAOQEQOXZDUXRK-UHFFFAOYSA-N 1 1 453.544 -3.113 20 0 JAADMO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)NCCN(CC[NH3+])N(O)N=O)c2)cc1 ZINC001220900293 1067357578 /nfs/dbraw/zinc/35/75/78/1067357578.db2.gz GJKSZNCAQZTUOW-MRXNPFEDSA-N 1 1 454.513 -1.037 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002442 1067357449 /nfs/dbraw/zinc/35/74/49/1067357449.db2.gz PZNRQLFFCREGEH-WKILWMFISA-N 1 1 450.515 -1.269 20 0 JAADMO CCC(CC)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072785 1067358428 /nfs/dbraw/zinc/35/84/28/1067358428.db2.gz RGQJSONPJXQFJF-DINVNSBJSA-N 1 1 483.610 -1.141 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001221091905 1067358025 /nfs/dbraw/zinc/35/80/25/1067358025.db2.gz HNHGXGNDFNMQME-UHFFFAOYSA-N 1 1 472.468 -1.211 20 0 JAADMO NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001221135917 1067358120 /nfs/dbraw/zinc/35/81/20/1067358120.db2.gz HGMRURMGLCSIRP-UHFFFAOYSA-N 1 1 452.943 -1.490 20 0 JAADMO N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148659 1067358180 /nfs/dbraw/zinc/35/81/80/1067358180.db2.gz KEJDISANUZVWEK-PMACEKPBSA-N 1 1 491.570 -1.315 20 0 JAADMO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148666 1067358320 /nfs/dbraw/zinc/35/83/20/1067358320.db2.gz KHYZPPOQNSMHJE-UHFFFAOYSA-N 1 1 469.524 -3.760 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148959 1067358048 /nfs/dbraw/zinc/35/80/48/1067358048.db2.gz UQNZUBRVXOMPJE-YOEHRIQHSA-N 1 1 466.564 -1.613 20 0 JAADMO COC(=O)c1ccc(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184362 1067357981 /nfs/dbraw/zinc/35/79/81/1067357981.db2.gz VBEJPUAXPCOVQK-IYARVYRRSA-N 1 1 490.561 -1.621 20 0 JAADMO COc1cccc(CN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001221185726 1067358693 /nfs/dbraw/zinc/35/86/93/1067358693.db2.gz GBMMOZNJRZPESO-QAQDUYKDSA-N 1 1 462.551 -1.399 20 0 JAADMO COC(=O)[C@@H]([NH3+])CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001221232877 1067359596 /nfs/dbraw/zinc/35/95/96/1067359596.db2.gz OAEAWNCGXKJDPQ-IHRRRGAJSA-N 1 1 461.585 -1.363 20 0 JAADMO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cnn2c1C[NH2+]CC2)C(N)=O ZINC001221234035 1067360643 /nfs/dbraw/zinc/36/06/43/1067360643.db2.gz ANRCUJUOIXJHCU-GJZGRUSLSA-N 1 1 467.596 -1.030 20 0 JAADMO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1nnn2c1C[NH2+]CC2)C(N)=O ZINC001221234040 1067360592 /nfs/dbraw/zinc/36/05/92/1067360592.db2.gz ASPLXYWQRQSSJR-STQMWFEESA-N 1 1 468.584 -1.635 20 0 JAADMO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc2n(n1)CC[NH2+]C2)C(N)=O ZINC001221235238 1067361248 /nfs/dbraw/zinc/36/12/48/1067361248.db2.gz XLEQFVOXZKJJQS-GJZGRUSLSA-N 1 1 467.596 -1.030 20 0 JAADMO C[C@@H]([NH3+])c1cc(F)c(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)S(C)(=O)=O)c(F)c1 ZINC001221262578 1067360990 /nfs/dbraw/zinc/36/09/90/1067360990.db2.gz IVEYOQYKCDFJMH-SECBINFHSA-N 1 1 478.478 -2.416 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221348107 1067361705 /nfs/dbraw/zinc/36/17/05/1067361705.db2.gz GFNMSQRUZQWZBT-JYJNAYRXSA-N 1 1 455.523 -1.544 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221348114 1067361895 /nfs/dbraw/zinc/36/18/95/1067361895.db2.gz GFNMSQRUZQWZBT-PMPSAXMXSA-N 1 1 455.523 -1.544 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221348132 1067361662 /nfs/dbraw/zinc/36/16/62/1067361662.db2.gz GPCUDHBYVSMKSS-JYJNAYRXSA-N 1 1 466.564 -1.672 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221348133 1067362148 /nfs/dbraw/zinc/36/21/48/1067362148.db2.gz GPCUDHBYVSMKSS-PMPSAXMXSA-N 1 1 466.564 -1.672 20 0 JAADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348374 1067361789 /nfs/dbraw/zinc/36/17/89/1067361789.db2.gz ISHGDKCIYNDSEG-TUUVXOQKSA-N 1 1 476.538 -2.632 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001221348650 1067361944 /nfs/dbraw/zinc/36/19/44/1067361944.db2.gz MMFDYRSDMHHUHZ-RYQLBKOJSA-N 1 1 481.517 -1.069 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001221348657 1067361574 /nfs/dbraw/zinc/36/15/74/1067361574.db2.gz MMFDYRSDMHHUHZ-SZMVWBNQSA-N 1 1 481.517 -1.069 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001221348824 1067362067 /nfs/dbraw/zinc/36/20/67/1067362067.db2.gz NTILNXAJZPGBQU-BZSNNMDCSA-N 1 1 455.519 -1.401 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221349228 1067362427 /nfs/dbraw/zinc/36/24/27/1067362427.db2.gz UGHKUKRVVKZUNH-ILXRZTDVSA-N 1 1 456.511 -2.149 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221349231 1067362565 /nfs/dbraw/zinc/36/25/65/1067362565.db2.gz UGHKUKRVVKZUNH-KKUMJFAQSA-N 1 1 456.511 -2.149 20 0 JAADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001221349246 1067362515 /nfs/dbraw/zinc/36/25/15/1067362515.db2.gz UOFYIQOIMKJPGL-BZSNNMDCSA-N 1 1 455.519 -1.401 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNCCC1=O)C(N)=O ZINC001221350865 1067362254 /nfs/dbraw/zinc/36/22/54/1067362254.db2.gz AJVHZDSKJMDEPG-CVYDXHPNSA-N 1 1 466.583 -1.604 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNCCC1=O)C(N)=O ZINC001221350888 1067362402 /nfs/dbraw/zinc/36/24/02/1067362402.db2.gz AJVHZDSKJMDEPG-OVWQWFNUSA-N 1 1 466.583 -1.604 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)Cc1cncn1C)C(N)=O ZINC001221350891 1067362481 /nfs/dbraw/zinc/36/24/81/1067362481.db2.gz APRIQXMPWOZKIC-VJANTYMQSA-N 1 1 492.625 -1.479 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)CN)C(N)=O ZINC001221351459 1067363024 /nfs/dbraw/zinc/36/30/24/1067363024.db2.gz HQWZHYLSBXMPMW-DWRORGKVSA-N 1 1 495.625 -1.833 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC[S@](C)=O)C(N)=O ZINC001221351917 1067363149 /nfs/dbraw/zinc/36/31/49/1067363149.db2.gz OVRCULPHWCSLOD-IURGJRAWSA-N 1 1 488.655 -1.687 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC[S@@](C)=O)C(N)=O ZINC001221351921 1067363279 /nfs/dbraw/zinc/36/32/79/1067363279.db2.gz OVRCULPHWCSLOD-JTQVDVRXSA-N 1 1 488.655 -1.687 20 0 JAADMO CCOC(=O)C1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CNC1 ZINC001221351922 1067363214 /nfs/dbraw/zinc/36/32/14/1067363214.db2.gz OXHNELVKVPIGKZ-ULQDDVLXSA-N 1 1 496.609 -1.630 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CNCCO1)C(N)=O ZINC001221351933 1067363370 /nfs/dbraw/zinc/36/33/70/1067363370.db2.gz PBSAPGINFNJPIK-NXOAAHMSSA-N 1 1 454.572 -1.794 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CNCCO1)C(N)=O ZINC001221351934 1067363425 /nfs/dbraw/zinc/36/34/25/1067363425.db2.gz PBSAPGINFNJPIK-QAETUUGQSA-N 1 1 454.572 -1.794 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)Cn1cccn1)C(N)=O ZINC001221352407 1067363573 /nfs/dbraw/zinc/36/35/73/1067363573.db2.gz UIKMHYIDLIDSLD-XSLAGTTESA-N 1 1 478.598 -1.559 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1ncn2c1CNCC2)C(N)=O ZINC001221352541 1067363609 /nfs/dbraw/zinc/36/36/09/1067363609.db2.gz WEUUHPISMAQCFM-BQFCYCMXSA-N 1 1 490.609 -1.169 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1COCCN1)C(N)=O ZINC001221352637 1067363834 /nfs/dbraw/zinc/36/38/34/1067363834.db2.gz XCKZJWVWJQIBIL-DFEOGRTESA-N 1 1 468.599 -1.404 20 0 JAADMO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1COCCN1)C(N)=O ZINC001221352638 1067363688 /nfs/dbraw/zinc/36/36/88/1067363688.db2.gz XCKZJWVWJQIBIL-DWRORGKVSA-N 1 1 468.599 -1.404 20 0 JAADMO Cn1cc(C[N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)c(=O)n(C)c1=O ZINC001231770250 1067369611 /nfs/dbraw/zinc/36/96/11/1067369611.db2.gz TXZXOOVHWBRSNN-UTKZUKDTSA-N 1 1 483.591 -1.441 20 0 JAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)[C@@H](O)[C@@H]2O1 ZINC001235551785 1067369569 /nfs/dbraw/zinc/36/95/69/1067369569.db2.gz VDOPEJDUVJOYJB-CSZHATAXSA-N 1 1 460.549 -1.182 20 0 JAADMO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)[C@@H](O)[C@@H]2O1 ZINC001235551785 1067369559 /nfs/dbraw/zinc/36/95/59/1067369559.db2.gz VDOPEJDUVJOYJB-CSZHATAXSA-N 1 1 460.549 -1.182 20 0 JAADMO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)[C@@H](O)[C@@H]2O1 ZINC001235551788 1067369441 /nfs/dbraw/zinc/36/94/41/1067369441.db2.gz VDOPEJDUVJOYJB-NPHBAILJSA-N 1 1 460.549 -1.182 20 0 JAADMO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)[C@@H](O)[C@@H]2O1 ZINC001235551788 1067369429 /nfs/dbraw/zinc/36/94/29/1067369429.db2.gz VDOPEJDUVJOYJB-NPHBAILJSA-N 1 1 460.549 -1.182 20 0 JAADMO O=S(=O)(CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC001238122040 1067369974 /nfs/dbraw/zinc/36/99/74/1067369974.db2.gz FVEVPRUJISFZLR-UHFFFAOYSA-N 1 1 482.606 -1.779 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)C2CC[NH2+]CC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001238656651 1067370165 /nfs/dbraw/zinc/37/01/65/1067370165.db2.gz ALPRJFFRUXSLPN-FVVUREQNSA-N 1 1 494.519 -1.259 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NCC2(O)CC[NH2+]CC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246003663 1067371226 /nfs/dbraw/zinc/37/12/26/1067371226.db2.gz ULQOVTVHXIOGRK-FVVUREQNSA-N 1 1 460.480 -1.226 20 0 JAADMO O=C([C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)CN1)N1CCSC1 ZINC001246275030 1067371631 /nfs/dbraw/zinc/37/16/31/1067371631.db2.gz CQGOTVJRKTUKLL-MOPGFXCFSA-N 1 1 465.613 -1.085 20 0 JAADMO O=C([C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)CN1)N1CCSC1 ZINC001246275033 1067371777 /nfs/dbraw/zinc/37/17/77/1067371777.db2.gz CQGOTVJRKTUKLL-OALUTQOASA-N 1 1 465.613 -1.085 20 0 JAADMO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CCN1 ZINC001246298611 1067371921 /nfs/dbraw/zinc/37/19/21/1067371921.db2.gz CARFJSNOJJTOOK-AQHJOQNTSA-N 1 1 488.490 -1.047 20 0 JAADMO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CCN1 ZINC001246298817 1067371972 /nfs/dbraw/zinc/37/19/72/1067371972.db2.gz CARFJSNOJJTOOK-VLYJTLDOSA-N 1 1 488.490 -1.047 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246299240 1067371877 /nfs/dbraw/zinc/37/18/77/1067371877.db2.gz GXGSEBWAWPTQLY-BZIXAJQCSA-N 1 1 471.507 -1.247 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2CCNC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001246299245 1067371941 /nfs/dbraw/zinc/37/19/41/1067371941.db2.gz GXGSEBWAWPTQLY-RFVXBFLTSA-N 1 1 471.507 -1.247 20 0 JAADMO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CN1 ZINC001246301233 1067372167 /nfs/dbraw/zinc/37/21/67/1067372167.db2.gz QUJXCRCGSFJIGY-AQHJOQNTSA-N 1 1 488.490 -1.047 20 0 JAADMO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]2OC(C)=O)CN1 ZINC001246301235 1067372391 /nfs/dbraw/zinc/37/23/91/1067372391.db2.gz QUJXCRCGSFJIGY-VLYJTLDOSA-N 1 1 488.490 -1.047 20 0 JAADMO COC(=O)[C@@H]1C[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484803 1067372803 /nfs/dbraw/zinc/37/28/03/1067372803.db2.gz JDOYAZHPGHJVIT-ATIWLJMLSA-N 1 1 468.599 -1.406 20 0 JAADMO COC(=O)[C@@H]1C[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484830 1067372668 /nfs/dbraw/zinc/37/26/68/1067372668.db2.gz JDOYAZHPGHJVIT-FPSMNIFISA-N 1 1 468.599 -1.406 20 0 JAADMO COC(=O)[C@H]1C[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484832 1067372763 /nfs/dbraw/zinc/37/27/63/1067372763.db2.gz JDOYAZHPGHJVIT-JCECYMMASA-N 1 1 468.599 -1.406 20 0 JAADMO COC(=O)[C@H]1C[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)CN1 ZINC001246484834 1067372517 /nfs/dbraw/zinc/37/25/17/1067372517.db2.gz JDOYAZHPGHJVIT-WKULXVSPSA-N 1 1 468.599 -1.406 20 0 JAADMO COC(=O)[C@@H]1C[C@H](N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)C[NH2+]1 ZINC001246698682 1067374528 /nfs/dbraw/zinc/37/45/28/1067374528.db2.gz CNJMOGGZNKJSED-LJCCNALRSA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CN1 ZINC001246698682 1067374519 /nfs/dbraw/zinc/37/45/19/1067374519.db2.gz CNJMOGGZNKJSED-LJCCNALRSA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CN1 ZINC001246698682 1067374510 /nfs/dbraw/zinc/37/45/10/1067374510.db2.gz CNJMOGGZNKJSED-LJCCNALRSA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@H]1C[C@@H](N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)C[NH2+]1 ZINC001246698689 1067374733 /nfs/dbraw/zinc/37/47/33/1067374733.db2.gz CNJMOGGZNKJSED-VIPLHTEESA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@H]1C[C@@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CN1 ZINC001246698689 1067374724 /nfs/dbraw/zinc/37/47/24/1067374724.db2.gz CNJMOGGZNKJSED-VIPLHTEESA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@H]1C[C@@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CN1 ZINC001246698689 1067374713 /nfs/dbraw/zinc/37/47/13/1067374713.db2.gz CNJMOGGZNKJSED-VIPLHTEESA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@H]1C[C@H](N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)C[NH2+]1 ZINC001246698692 1067374407 /nfs/dbraw/zinc/37/44/07/1067374407.db2.gz CNJMOGGZNKJSED-XLSPSMHOSA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@H]1C[C@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CN1 ZINC001246698692 1067374399 /nfs/dbraw/zinc/37/43/99/1067374399.db2.gz CNJMOGGZNKJSED-XLSPSMHOSA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@H]1C[C@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CN1 ZINC001246698692 1067374389 /nfs/dbraw/zinc/37/43/89/1067374389.db2.gz CNJMOGGZNKJSED-XLSPSMHOSA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)C[NH2+]1 ZINC001246698694 1067374666 /nfs/dbraw/zinc/37/46/66/1067374666.db2.gz CNJMOGGZNKJSED-YZLZLFLDSA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CN1 ZINC001246698694 1067374654 /nfs/dbraw/zinc/37/46/54/1067374654.db2.gz CNJMOGGZNKJSED-YZLZLFLDSA-N 1 1 458.581 -1.135 20 0 JAADMO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)CN1 ZINC001246698694 1067374652 /nfs/dbraw/zinc/37/46/52/1067374652.db2.gz CNJMOGGZNKJSED-YZLZLFLDSA-N 1 1 458.581 -1.135 20 0 JAADMO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@@H](O)CN3CCOCC3)CC[C@@H]12 ZINC001251013739 1067375527 /nfs/dbraw/zinc/37/55/27/1067375527.db2.gz KIXYYBMCHVXMDP-SBHAEUEKSA-N 1 1 474.624 -1.346 20 0 JAADMO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@H](O)CN3CCOCC3)CC[C@@H]12 ZINC001251013744 1067375505 /nfs/dbraw/zinc/37/55/05/1067375505.db2.gz KIXYYBMCHVXMDP-ZVDOUQERSA-N 1 1 474.624 -1.346 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001251042700 1067375442 /nfs/dbraw/zinc/37/54/42/1067375442.db2.gz IFBCTHWWXVWEHI-UCGFNCKJSA-N 1 1 490.506 -1.648 20 0 JAADMO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]C[C@H](O)CN2CCOCC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001251042712 1067375864 /nfs/dbraw/zinc/37/58/64/1067375864.db2.gz IFBCTHWWXVWEHI-WSBLSWJJSA-N 1 1 490.506 -1.648 20 0 JAADMO COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001253072513 1067378243 /nfs/dbraw/zinc/37/82/43/1067378243.db2.gz FLACCLQNQAXCTL-QSQZVVNTSA-N 1 1 451.476 -1.214 20 0 JAADMO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001253072514 1067378088 /nfs/dbraw/zinc/37/80/88/1067378088.db2.gz FLACCLQNQAXCTL-RDWNTVFTSA-N 1 1 451.476 -1.214 20 0 JAADMO COC(=O)[C@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CN1C(=O)OC(C)(C)C ZINC001256261060 1067382727 /nfs/dbraw/zinc/38/27/27/1067382727.db2.gz PSMMPJGVALDOND-KTOKRVLESA-N 1 1 469.495 -1.382 20 0 JAADMO COC(=O)[C@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CN1C(=O)OC(C)(C)C ZINC001256261061 1067382371 /nfs/dbraw/zinc/38/23/71/1067382371.db2.gz PSMMPJGVALDOND-UVYKZELPSA-N 1 1 469.495 -1.382 20 0 JAADMO COC(=O)[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001256263701 1067382562 /nfs/dbraw/zinc/38/25/62/1067382562.db2.gz QAQSEUXOPNZHMY-HZSPNIEDSA-N 1 1 455.512 -1.281 20 0 JAADMO COC(=O)[C@H]1C[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001256263706 1067382518 /nfs/dbraw/zinc/38/25/18/1067382518.db2.gz QAQSEUXOPNZHMY-MELADBBJSA-N 1 1 455.512 -1.281 20 0 JAADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=[NH2+])NC1CCS(=O)(=O)CC1 ZINC001256385416 1067382583 /nfs/dbraw/zinc/38/25/83/1067382583.db2.gz UBOCBRHIMZFMBB-IRXDYDNUSA-N 1 1 452.581 -1.002 20 0 JAADMO CS(=O)(=O)N1CCC(NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001257233628 1067383053 /nfs/dbraw/zinc/38/30/53/1067383053.db2.gz QOIAGKATHMOUNW-ROUUACIJSA-N 1 1 481.623 -1.155 20 0 JAADMO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001257929807 1067384118 /nfs/dbraw/zinc/38/41/18/1067384118.db2.gz OSAWZFZQKPPKKS-PVAVHDDUSA-N 1 1 457.549 -1.094 20 0 JAADMO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001257929811 1067383835 /nfs/dbraw/zinc/38/38/35/1067383835.db2.gz OSAWZFZQKPPKKS-XIRDDKMYSA-N 1 1 457.549 -1.094 20 0 JAADMO CNC(=O)CN1CCC(NC(=O)c2ccc(C(=O)NC3CC[NH+](CC(=O)NC)CC3)cn2)CC1 ZINC001261254215 1067389698 /nfs/dbraw/zinc/38/96/98/1067389698.db2.gz DOGAVLPCLBXLLX-UHFFFAOYSA-N 1 1 473.578 -1.038 20 0 JAADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CN4CCCC4=O)n3CCNS(C)(=O)=O)C[C@H]2C)CC1 ZINC001286886485 1067391219 /nfs/dbraw/zinc/39/12/19/1067391219.db2.gz DUCIGRLGMDCIHZ-AEFFLSMTSA-N 1 1 496.638 -1.062 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CN4CCCC4=O)n3CCNS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001286886486 1067391075 /nfs/dbraw/zinc/39/10/75/1067391075.db2.gz DUCIGRLGMDCIHZ-FUHWJXTLSA-N 1 1 496.638 -1.062 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CN4CCCC4=O)n3CCNS(C)(=O)=O)C[C@H]2C)CC1 ZINC001286886487 1067391418 /nfs/dbraw/zinc/39/14/18/1067391418.db2.gz DUCIGRLGMDCIHZ-SJLPKXTDSA-N 1 1 496.638 -1.062 20 0 JAADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CN4CCCC4=O)n3CCNS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001286886488 1067391307 /nfs/dbraw/zinc/39/13/07/1067391307.db2.gz DUCIGRLGMDCIHZ-WMZOPIPTSA-N 1 1 496.638 -1.062 20 0 JAADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001286890524 1067391272 /nfs/dbraw/zinc/39/12/72/1067391272.db2.gz APOSCTDKUNWYBJ-UHFFFAOYSA-N 1 1 465.584 -1.076 20 0 JAADMO CC(=O)N1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001286891709 1067391361 /nfs/dbraw/zinc/39/13/61/1067391361.db2.gz NTSXJEZZNRPQOO-UHFFFAOYSA-N 1 1 453.573 -1.172 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288147970 1067392479 /nfs/dbraw/zinc/39/24/79/1067392479.db2.gz OGBVYYMSCYWUOG-NRFANRHFSA-N 1 1 462.555 -1.590 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288147973 1067392397 /nfs/dbraw/zinc/39/23/97/1067392397.db2.gz OGBVYYMSCYWUOG-OAQYLSRUSA-N 1 1 462.555 -1.590 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288861299 1067393042 /nfs/dbraw/zinc/39/30/42/1067393042.db2.gz YZHSTGZHPPXHBV-CKJXQJPGSA-N 1 1 498.654 -1.256 20 0 JAADMO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288861302 1067392981 /nfs/dbraw/zinc/39/29/81/1067392981.db2.gz YZHSTGZHPPXHBV-GCKMJXCFSA-N 1 1 498.654 -1.256 20 0 JAADMO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001288861304 1067393380 /nfs/dbraw/zinc/39/33/80/1067393380.db2.gz YZHSTGZHPPXHBV-MRUHUIDDSA-N 1 1 498.654 -1.256 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288861306 1067393406 /nfs/dbraw/zinc/39/34/06/1067393406.db2.gz YZHSTGZHPPXHBV-QYWGDWMGSA-N 1 1 498.654 -1.256 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001288873323 1067394006 /nfs/dbraw/zinc/39/40/06/1067394006.db2.gz ZGPHKXGQJQMMGB-CABCVRRESA-N 1 1 456.573 -1.176 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001288873324 1067394062 /nfs/dbraw/zinc/39/40/62/1067394062.db2.gz ZGPHKXGQJQMMGB-GJZGRUSLSA-N 1 1 456.573 -1.176 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001288873325 1067394137 /nfs/dbraw/zinc/39/41/37/1067394137.db2.gz ZGPHKXGQJQMMGB-HUUCEWRRSA-N 1 1 456.573 -1.176 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001288873326 1067394187 /nfs/dbraw/zinc/39/41/87/1067394187.db2.gz ZGPHKXGQJQMMGB-LSDHHAIUSA-N 1 1 456.573 -1.176 20 0 JAADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001290978864 1067394510 /nfs/dbraw/zinc/39/45/10/1067394510.db2.gz AKRXUVOMZJALEJ-CLCXKQKWSA-N 1 1 471.584 -1.656 20 0 JAADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001290978865 1067394639 /nfs/dbraw/zinc/39/46/39/1067394639.db2.gz AKRXUVOMZJALEJ-SPYBWZPUSA-N 1 1 471.584 -1.656 20 0 JAADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001290978866 1067394591 /nfs/dbraw/zinc/39/45/91/1067394591.db2.gz AKRXUVOMZJALEJ-VCBZYWHSSA-N 1 1 471.584 -1.656 20 0 JAADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001290978867 1067394854 /nfs/dbraw/zinc/39/48/54/1067394854.db2.gz AKRXUVOMZJALEJ-ZRGWGRIASA-N 1 1 471.584 -1.656 20 0 JAADMO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291256679 1067395051 /nfs/dbraw/zinc/39/50/51/1067395051.db2.gz YCQAHRWYQVJLLP-BRWVUGGUSA-N 1 1 485.611 -1.144 20 0 JAADMO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291256680 1067395156 /nfs/dbraw/zinc/39/51/56/1067395156.db2.gz YCQAHRWYQVJLLP-IKGGRYGDSA-N 1 1 485.611 -1.144 20 0 JAADMO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291256681 1067395252 /nfs/dbraw/zinc/39/52/52/1067395252.db2.gz YCQAHRWYQVJLLP-IXDOHACOSA-N 1 1 485.611 -1.144 20 0 JAADMO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291256682 1067395213 /nfs/dbraw/zinc/39/52/13/1067395213.db2.gz YCQAHRWYQVJLLP-ZACQAIPSSA-N 1 1 485.611 -1.144 20 0 JAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001293003307 1067395577 /nfs/dbraw/zinc/39/55/77/1067395577.db2.gz BCEBPYQDYMLPAW-HNNXBMFYSA-N 1 1 454.553 -1.337 20 0 JAADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001293003308 1067396004 /nfs/dbraw/zinc/39/60/04/1067396004.db2.gz BCEBPYQDYMLPAW-OAHLLOKOSA-N 1 1 454.553 -1.337 20 0 JAADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001294743657 1067396302 /nfs/dbraw/zinc/39/63/02/1067396302.db2.gz CTJWQSVUCHJQEC-HRCADAONSA-N 1 1 482.611 -1.090 20 0 JAADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001294743658 1067396135 /nfs/dbraw/zinc/39/61/35/1067396135.db2.gz CTJWQSVUCHJQEC-JYJNAYRXSA-N 1 1 482.611 -1.090 20 0 JAADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001294743659 1067396287 /nfs/dbraw/zinc/39/62/87/1067396287.db2.gz CTJWQSVUCHJQEC-OWCLPIDISA-N 1 1 482.611 -1.090 20 0 JAADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001294743660 1067396116 /nfs/dbraw/zinc/39/61/16/1067396116.db2.gz CTJWQSVUCHJQEC-PMPSAXMXSA-N 1 1 482.611 -1.090 20 0 JAADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001296184372 1067397301 /nfs/dbraw/zinc/39/73/01/1067397301.db2.gz KFDIQPDVNKEXQE-MSOLQXFVSA-N 1 1 489.625 -1.163 20 0 JAADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001296184373 1067397430 /nfs/dbraw/zinc/39/74/30/1067397430.db2.gz KFDIQPDVNKEXQE-QZTJIDSGSA-N 1 1 489.625 -1.163 20 0 JAADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001296184374 1067397544 /nfs/dbraw/zinc/39/75/44/1067397544.db2.gz KFDIQPDVNKEXQE-ROUUACIJSA-N 1 1 489.625 -1.163 20 0 JAADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001296184376 1067397335 /nfs/dbraw/zinc/39/73/35/1067397335.db2.gz KFDIQPDVNKEXQE-ZWKOTPCHSA-N 1 1 489.625 -1.163 20 0 JAADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296204464 1067397497 /nfs/dbraw/zinc/39/74/97/1067397497.db2.gz JNUUYUPNEZZWDL-MSOLQXFVSA-N 1 1 498.654 -1.050 20 0 JAADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296204465 1067397217 /nfs/dbraw/zinc/39/72/17/1067397217.db2.gz JNUUYUPNEZZWDL-QZTJIDSGSA-N 1 1 498.654 -1.050 20 0 JAADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296204466 1067397368 /nfs/dbraw/zinc/39/73/68/1067397368.db2.gz JNUUYUPNEZZWDL-ROUUACIJSA-N 1 1 498.654 -1.050 20 0 JAADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296204467 1067397573 /nfs/dbraw/zinc/39/75/73/1067397573.db2.gz JNUUYUPNEZZWDL-ZWKOTPCHSA-N 1 1 498.654 -1.050 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001297783583 1067398555 /nfs/dbraw/zinc/39/85/55/1067398555.db2.gz RFUFLSBVWPLBHM-CVEARBPZSA-N 1 1 482.611 -1.089 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001297783585 1067398392 /nfs/dbraw/zinc/39/83/92/1067398392.db2.gz RFUFLSBVWPLBHM-HOTGVXAUSA-N 1 1 482.611 -1.089 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001297783588 1067398300 /nfs/dbraw/zinc/39/83/00/1067398300.db2.gz RFUFLSBVWPLBHM-HZPDHXFCSA-N 1 1 482.611 -1.089 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001297783590 1067398504 /nfs/dbraw/zinc/39/85/04/1067398504.db2.gz RFUFLSBVWPLBHM-JKSUJKDBSA-N 1 1 482.611 -1.089 20 0 JAADMO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001297988456 1067398799 /nfs/dbraw/zinc/39/87/99/1067398799.db2.gz MFSMPGGUAZJRHX-CVEARBPZSA-N 1 1 471.584 -1.390 20 0 JAADMO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001297988456 1067398787 /nfs/dbraw/zinc/39/87/87/1067398787.db2.gz MFSMPGGUAZJRHX-CVEARBPZSA-N 1 1 471.584 -1.390 20 0 JAADMO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001297988461 1067398863 /nfs/dbraw/zinc/39/88/63/1067398863.db2.gz MFSMPGGUAZJRHX-HOTGVXAUSA-N 1 1 471.584 -1.390 20 0 JAADMO CN(C)C(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001297988461 1067398851 /nfs/dbraw/zinc/39/88/51/1067398851.db2.gz MFSMPGGUAZJRHX-HOTGVXAUSA-N 1 1 471.584 -1.390 20 0 JAADMO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001297988470 1067399371 /nfs/dbraw/zinc/39/93/71/1067399371.db2.gz MFSMPGGUAZJRHX-HZPDHXFCSA-N 1 1 471.584 -1.390 20 0 JAADMO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001297988470 1067399367 /nfs/dbraw/zinc/39/93/67/1067399367.db2.gz MFSMPGGUAZJRHX-HZPDHXFCSA-N 1 1 471.584 -1.390 20 0 JAADMO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001297988473 1067399219 /nfs/dbraw/zinc/39/92/19/1067399219.db2.gz MFSMPGGUAZJRHX-JKSUJKDBSA-N 1 1 471.584 -1.390 20 0 JAADMO CN(C)C(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001297988473 1067399204 /nfs/dbraw/zinc/39/92/04/1067399204.db2.gz MFSMPGGUAZJRHX-JKSUJKDBSA-N 1 1 471.584 -1.390 20 0 JAADMO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001298004983 1067399401 /nfs/dbraw/zinc/39/94/01/1067399401.db2.gz HSBPJECSAKNGPD-CABCVRRESA-N 1 1 457.557 -1.780 20 0 JAADMO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001298004983 1067399394 /nfs/dbraw/zinc/39/93/94/1067399394.db2.gz HSBPJECSAKNGPD-CABCVRRESA-N 1 1 457.557 -1.780 20 0 JAADMO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001298004984 1067399318 /nfs/dbraw/zinc/39/93/18/1067399318.db2.gz HSBPJECSAKNGPD-GJZGRUSLSA-N 1 1 457.557 -1.780 20 0 JAADMO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001298004984 1067399305 /nfs/dbraw/zinc/39/93/05/1067399305.db2.gz HSBPJECSAKNGPD-GJZGRUSLSA-N 1 1 457.557 -1.780 20 0 JAADMO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001298004985 1067399163 /nfs/dbraw/zinc/39/91/63/1067399163.db2.gz HSBPJECSAKNGPD-HUUCEWRRSA-N 1 1 457.557 -1.780 20 0 JAADMO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001298004985 1067399154 /nfs/dbraw/zinc/39/91/54/1067399154.db2.gz HSBPJECSAKNGPD-HUUCEWRRSA-N 1 1 457.557 -1.780 20 0 JAADMO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001298004986 1067399109 /nfs/dbraw/zinc/39/91/09/1067399109.db2.gz HSBPJECSAKNGPD-LSDHHAIUSA-N 1 1 457.557 -1.780 20 0 JAADMO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001298004986 1067399098 /nfs/dbraw/zinc/39/90/98/1067399098.db2.gz HSBPJECSAKNGPD-LSDHHAIUSA-N 1 1 457.557 -1.780 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001299129746 1067402106 /nfs/dbraw/zinc/40/21/06/1067402106.db2.gz YYZCCCJHSGYUTB-CABCVRRESA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001299129747 1067402044 /nfs/dbraw/zinc/40/20/44/1067402044.db2.gz YYZCCCJHSGYUTB-GJZGRUSLSA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001299129748 1067402082 /nfs/dbraw/zinc/40/20/82/1067402082.db2.gz YYZCCCJHSGYUTB-HUUCEWRRSA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001299129749 1067401961 /nfs/dbraw/zinc/40/19/61/1067401961.db2.gz YYZCCCJHSGYUTB-LSDHHAIUSA-N 1 1 473.600 -1.050 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001299311780 1067104653 /nfs/dbraw/zinc/10/46/53/1067104653.db2.gz LJQHAWSMYAFBNJ-INIZCTEOSA-N 1 1 482.611 -1.087 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001299311780 1067104649 /nfs/dbraw/zinc/10/46/49/1067104649.db2.gz LJQHAWSMYAFBNJ-INIZCTEOSA-N 1 1 482.611 -1.087 20 0 JAADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001299311781 1067104341 /nfs/dbraw/zinc/10/43/41/1067104341.db2.gz LJQHAWSMYAFBNJ-MRXNPFEDSA-N 1 1 482.611 -1.087 20 0 JAADMO CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001299311781 1067104327 /nfs/dbraw/zinc/10/43/27/1067104327.db2.gz LJQHAWSMYAFBNJ-MRXNPFEDSA-N 1 1 482.611 -1.087 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001299314480 1067104600 /nfs/dbraw/zinc/10/46/00/1067104600.db2.gz HXPIFYGUYFVOGX-CVEARBPZSA-N 1 1 491.640 -1.165 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001299314481 1067104419 /nfs/dbraw/zinc/10/44/19/1067104419.db2.gz HXPIFYGUYFVOGX-HOTGVXAUSA-N 1 1 491.640 -1.165 20 0 JAADMO CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001299314482 1067104545 /nfs/dbraw/zinc/10/45/45/1067104545.db2.gz HXPIFYGUYFVOGX-HZPDHXFCSA-N 1 1 491.640 -1.165 20 0 JAADMO CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001299314483 1067104733 /nfs/dbraw/zinc/10/47/33/1067104733.db2.gz HXPIFYGUYFVOGX-JKSUJKDBSA-N 1 1 491.640 -1.165 20 0 JAADMO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001299314783 1067104569 /nfs/dbraw/zinc/10/45/69/1067104569.db2.gz NJIFRSLLJLYTGD-CVEARBPZSA-N 1 1 476.625 -1.112 20 0 JAADMO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001299314784 1067104701 /nfs/dbraw/zinc/10/47/01/1067104701.db2.gz NJIFRSLLJLYTGD-HOTGVXAUSA-N 1 1 476.625 -1.112 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001299314785 1067104280 /nfs/dbraw/zinc/10/42/80/1067104280.db2.gz NJIFRSLLJLYTGD-HZPDHXFCSA-N 1 1 476.625 -1.112 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001299314786 1067104490 /nfs/dbraw/zinc/10/44/90/1067104490.db2.gz NJIFRSLLJLYTGD-JKSUJKDBSA-N 1 1 476.625 -1.112 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001301719754 1067404839 /nfs/dbraw/zinc/40/48/39/1067404839.db2.gz WOGPBIGBOIZFPE-INIZCTEOSA-N 1 1 473.600 -1.094 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001301719755 1067404990 /nfs/dbraw/zinc/40/49/90/1067404990.db2.gz WOGPBIGBOIZFPE-MRXNPFEDSA-N 1 1 473.600 -1.094 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301732706 1067404872 /nfs/dbraw/zinc/40/48/72/1067404872.db2.gz CEKNXYKDWYJPPS-INIZCTEOSA-N 1 1 497.622 -1.314 20 0 JAADMO COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301732706 1067404870 /nfs/dbraw/zinc/40/48/70/1067404870.db2.gz CEKNXYKDWYJPPS-INIZCTEOSA-N 1 1 497.622 -1.314 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301732707 1067404968 /nfs/dbraw/zinc/40/49/68/1067404968.db2.gz CEKNXYKDWYJPPS-MRXNPFEDSA-N 1 1 497.622 -1.314 20 0 JAADMO COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301732707 1067404964 /nfs/dbraw/zinc/40/49/64/1067404964.db2.gz CEKNXYKDWYJPPS-MRXNPFEDSA-N 1 1 497.622 -1.314 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001301733044 1067404953 /nfs/dbraw/zinc/40/49/53/1067404953.db2.gz DDDNATZVHXMFTA-CVEARBPZSA-N 1 1 473.600 -1.109 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001301733045 1067404886 /nfs/dbraw/zinc/40/48/86/1067404886.db2.gz DDDNATZVHXMFTA-HOTGVXAUSA-N 1 1 473.600 -1.109 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001301733046 1067404815 /nfs/dbraw/zinc/40/48/15/1067404815.db2.gz DDDNATZVHXMFTA-HZPDHXFCSA-N 1 1 473.600 -1.109 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001301733047 1067404909 /nfs/dbraw/zinc/40/49/09/1067404909.db2.gz DDDNATZVHXMFTA-JKSUJKDBSA-N 1 1 473.600 -1.109 20 0 JAADMO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC001301735667 1067404979 /nfs/dbraw/zinc/40/49/79/1067404979.db2.gz AMMKMHIRTAIOHL-KNBMTAEXSA-N 1 1 485.611 -1.265 20 0 JAADMO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)[C@H](C)C1 ZINC001301735673 1067404935 /nfs/dbraw/zinc/40/49/35/1067404935.db2.gz AMMKMHIRTAIOHL-OXFYSEKESA-N 1 1 485.611 -1.265 20 0 JAADMO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC001301735674 1067404999 /nfs/dbraw/zinc/40/49/99/1067404999.db2.gz AMMKMHIRTAIOHL-RIFZZMRRSA-N 1 1 485.611 -1.265 20 0 JAADMO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)[C@H](C)C1 ZINC001301735675 1067404863 /nfs/dbraw/zinc/40/48/63/1067404863.db2.gz AMMKMHIRTAIOHL-SYNHAJSKSA-N 1 1 485.611 -1.265 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001301765778 1067405536 /nfs/dbraw/zinc/40/55/36/1067405536.db2.gz MXLNTVHXRWQTML-BHYGNILZSA-N 1 1 482.611 -1.233 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C[C@H]2C)CC1 ZINC001301765807 1067405477 /nfs/dbraw/zinc/40/54/77/1067405477.db2.gz MXLNTVHXRWQTML-DJIMGWMZSA-N 1 1 482.611 -1.233 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C[C@H]2C)CC1 ZINC001301765811 1067405285 /nfs/dbraw/zinc/40/52/85/1067405285.db2.gz MXLNTVHXRWQTML-HYVNUMGLSA-N 1 1 482.611 -1.233 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001301765816 1067405297 /nfs/dbraw/zinc/40/52/97/1067405297.db2.gz MXLNTVHXRWQTML-USXIJHARSA-N 1 1 482.611 -1.233 20 0 JAADMO COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC1 ZINC001301911392 1067406577 /nfs/dbraw/zinc/40/65/77/1067406577.db2.gz YKKWEUWOZNGPKO-KRWDZBQOSA-N 1 1 473.600 -1.094 20 0 JAADMO COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNC(C)=O)CC1 ZINC001301911394 1067406482 /nfs/dbraw/zinc/40/64/82/1067406482.db2.gz YKKWEUWOZNGPKO-QGZVFWFLSA-N 1 1 473.600 -1.094 20 0 JAADMO CC(C)C(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001302403701 1067407594 /nfs/dbraw/zinc/40/75/94/1067407594.db2.gz IHWDWWHAYVWGDH-DYESRHJHSA-N 1 1 499.638 -1.018 20 0 JAADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001302403702 1067407665 /nfs/dbraw/zinc/40/76/65/1067407665.db2.gz IHWDWWHAYVWGDH-LAUBAEHRSA-N 1 1 499.638 -1.018 20 0 JAADMO CC(C)C(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001302403703 1067407767 /nfs/dbraw/zinc/40/77/67/1067407767.db2.gz IHWDWWHAYVWGDH-UTKZUKDTSA-N 1 1 499.638 -1.018 20 0 JAADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001302403704 1067407746 /nfs/dbraw/zinc/40/77/46/1067407746.db2.gz IHWDWWHAYVWGDH-UWJYYQICSA-N 1 1 499.638 -1.018 20 0 JAADMO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)C1 ZINC001302485411 1067409158 /nfs/dbraw/zinc/40/91/58/1067409158.db2.gz QWGYTDFSTKLUTJ-KBPBESRZSA-N 1 1 493.537 -1.487 20 0 JAADMO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)C1 ZINC001302485411 1067409151 /nfs/dbraw/zinc/40/91/51/1067409151.db2.gz QWGYTDFSTKLUTJ-KBPBESRZSA-N 1 1 493.537 -1.487 20 0 JAADMO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)C1 ZINC001302485426 1067409108 /nfs/dbraw/zinc/40/91/08/1067409108.db2.gz QWGYTDFSTKLUTJ-KGLIPLIRSA-N 1 1 493.537 -1.487 20 0 JAADMO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)C1 ZINC001302485426 1067409104 /nfs/dbraw/zinc/40/91/04/1067409104.db2.gz QWGYTDFSTKLUTJ-KGLIPLIRSA-N 1 1 493.537 -1.487 20 0 JAADMO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)C1 ZINC001302485427 1067409180 /nfs/dbraw/zinc/40/91/80/1067409180.db2.gz QWGYTDFSTKLUTJ-UONOGXRCSA-N 1 1 493.537 -1.487 20 0 JAADMO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CC(=O)NCC(F)F)C1 ZINC001302485427 1067409172 /nfs/dbraw/zinc/40/91/72/1067409172.db2.gz QWGYTDFSTKLUTJ-UONOGXRCSA-N 1 1 493.537 -1.487 20 0 JAADMO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)C1 ZINC001302485429 1067409133 /nfs/dbraw/zinc/40/91/33/1067409133.db2.gz QWGYTDFSTKLUTJ-ZIAGYGMSSA-N 1 1 493.537 -1.487 20 0 JAADMO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CC(=O)NCC(F)F)C1 ZINC001302485429 1067409129 /nfs/dbraw/zinc/40/91/29/1067409129.db2.gz QWGYTDFSTKLUTJ-ZIAGYGMSSA-N 1 1 493.537 -1.487 20 0 JAADMO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1O ZINC001302837460 1067409672 /nfs/dbraw/zinc/40/96/72/1067409672.db2.gz JTQBQWYZFJLFBG-DRMAHVMPSA-N 1 1 458.585 -1.115 20 0 JAADMO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1O ZINC001302837465 1067409723 /nfs/dbraw/zinc/40/97/23/1067409723.db2.gz JTQBQWYZFJLFBG-OLMMMNRUSA-N 1 1 458.585 -1.115 20 0 JAADMO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1O ZINC001302837466 1067409780 /nfs/dbraw/zinc/40/97/80/1067409780.db2.gz JTQBQWYZFJLFBG-PASDCYSWSA-N 1 1 458.585 -1.115 20 0 JAADMO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1O ZINC001302837467 1067409689 /nfs/dbraw/zinc/40/96/89/1067409689.db2.gz JTQBQWYZFJLFBG-YYAJDYIMSA-N 1 1 458.585 -1.115 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303323143 1067410199 /nfs/dbraw/zinc/41/01/99/1067410199.db2.gz XYWYPHHNKXHMHY-NRFANRHFSA-N 1 1 457.539 -1.025 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303323144 1067410265 /nfs/dbraw/zinc/41/02/65/1067410265.db2.gz XYWYPHHNKXHMHY-OAQYLSRUSA-N 1 1 457.539 -1.025 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303408710 1067410906 /nfs/dbraw/zinc/41/09/06/1067410906.db2.gz GGPGOWWFBQDXDA-INIZCTEOSA-N 1 1 475.598 -1.411 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001303408711 1067410834 /nfs/dbraw/zinc/41/08/34/1067410834.db2.gz GGPGOWWFBQDXDA-MRXNPFEDSA-N 1 1 475.598 -1.411 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001303408839 1067410946 /nfs/dbraw/zinc/41/09/46/1067410946.db2.gz IPOPGLGAKGUFKZ-HNNXBMFYSA-N 1 1 456.569 -1.123 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001303408839 1067410941 /nfs/dbraw/zinc/41/09/41/1067410941.db2.gz IPOPGLGAKGUFKZ-HNNXBMFYSA-N 1 1 456.569 -1.123 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001303408840 1067410986 /nfs/dbraw/zinc/41/09/86/1067410986.db2.gz IPOPGLGAKGUFKZ-OAHLLOKOSA-N 1 1 456.569 -1.123 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001303408840 1067410982 /nfs/dbraw/zinc/41/09/82/1067410982.db2.gz IPOPGLGAKGUFKZ-OAHLLOKOSA-N 1 1 456.569 -1.123 20 0 JAADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303458256 1067410924 /nfs/dbraw/zinc/41/09/24/1067410924.db2.gz UJUMTMJDKJBBHU-JXFKEZNVSA-N 1 1 486.643 -1.399 20 0 JAADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303458257 1067410794 /nfs/dbraw/zinc/41/07/94/1067410794.db2.gz UJUMTMJDKJBBHU-OXJNMPFZSA-N 1 1 486.643 -1.399 20 0 JAADMO CC(C)NC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303458258 1067410995 /nfs/dbraw/zinc/41/09/95/1067410995.db2.gz UJUMTMJDKJBBHU-OXQOHEQNSA-N 1 1 486.643 -1.399 20 0 JAADMO CC(C)NC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303458259 1067411510 /nfs/dbraw/zinc/41/15/10/1067411510.db2.gz UJUMTMJDKJBBHU-UZLBHIALSA-N 1 1 486.643 -1.399 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001303824605 1067412124 /nfs/dbraw/zinc/41/21/24/1067412124.db2.gz BJRYWYTWCBKALF-IKGGRYGDSA-N 1 1 485.611 -1.096 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001303824607 1067412278 /nfs/dbraw/zinc/41/22/78/1067412278.db2.gz BJRYWYTWCBKALF-IXDOHACOSA-N 1 1 485.611 -1.096 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC(=O)N1CCOCC1 ZINC001303824609 1067412233 /nfs/dbraw/zinc/41/22/33/1067412233.db2.gz BJRYWYTWCBKALF-ULQDDVLXSA-N 1 1 485.611 -1.096 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001303824613 1067412334 /nfs/dbraw/zinc/41/23/34/1067412334.db2.gz BJRYWYTWCBKALF-YESZJQIVSA-N 1 1 485.611 -1.096 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001303827179 1067412076 /nfs/dbraw/zinc/41/20/76/1067412076.db2.gz FGCJBHPUGSNHRT-PBHICJAKSA-N 1 1 479.629 -1.262 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001303827180 1067412166 /nfs/dbraw/zinc/41/21/66/1067412166.db2.gz FGCJBHPUGSNHRT-RHSMWYFYSA-N 1 1 479.629 -1.262 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001303827181 1067412298 /nfs/dbraw/zinc/41/22/98/1067412298.db2.gz FGCJBHPUGSNHRT-WMLDXEAASA-N 1 1 479.629 -1.262 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001303827182 1067412209 /nfs/dbraw/zinc/41/22/09/1067412209.db2.gz FGCJBHPUGSNHRT-YOEHRIQHSA-N 1 1 479.629 -1.262 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303859850 1067412707 /nfs/dbraw/zinc/41/27/07/1067412707.db2.gz WAJXTACCLBMXCO-ARFHVFGLSA-N 1 1 482.611 -1.090 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303859851 1067413049 /nfs/dbraw/zinc/41/30/49/1067413049.db2.gz WAJXTACCLBMXCO-BZUAXINKSA-N 1 1 482.611 -1.090 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303859852 1067413099 /nfs/dbraw/zinc/41/30/99/1067413099.db2.gz WAJXTACCLBMXCO-OAGGEKHMSA-N 1 1 482.611 -1.090 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303859853 1067412923 /nfs/dbraw/zinc/41/29/23/1067412923.db2.gz WAJXTACCLBMXCO-XHSDSOJGSA-N 1 1 482.611 -1.090 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)F ZINC001303869031 1067413961 /nfs/dbraw/zinc/41/39/61/1067413961.db2.gz YXAUJKGHFUHLCW-NEPJUHHUSA-N 1 1 451.500 -1.210 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)F ZINC001303869031 1067413956 /nfs/dbraw/zinc/41/39/56/1067413956.db2.gz YXAUJKGHFUHLCW-NEPJUHHUSA-N 1 1 451.500 -1.210 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)F ZINC001303869032 1067414013 /nfs/dbraw/zinc/41/40/13/1067414013.db2.gz YXAUJKGHFUHLCW-NWDGAFQWSA-N 1 1 451.500 -1.210 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)F ZINC001303869032 1067414009 /nfs/dbraw/zinc/41/40/09/1067414009.db2.gz YXAUJKGHFUHLCW-NWDGAFQWSA-N 1 1 451.500 -1.210 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)F ZINC001303869033 1067413922 /nfs/dbraw/zinc/41/39/22/1067413922.db2.gz YXAUJKGHFUHLCW-RYUDHWBXSA-N 1 1 451.500 -1.210 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC(=O)NCC(F)F ZINC001303869033 1067413921 /nfs/dbraw/zinc/41/39/21/1067413921.db2.gz YXAUJKGHFUHLCW-RYUDHWBXSA-N 1 1 451.500 -1.210 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)F ZINC001303869034 1067413938 /nfs/dbraw/zinc/41/39/38/1067413938.db2.gz YXAUJKGHFUHLCW-VXGBXAGGSA-N 1 1 451.500 -1.210 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC(=O)NCC(F)F ZINC001303869034 1067413935 /nfs/dbraw/zinc/41/39/35/1067413935.db2.gz YXAUJKGHFUHLCW-VXGBXAGGSA-N 1 1 451.500 -1.210 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303873411 1067414563 /nfs/dbraw/zinc/41/45/63/1067414563.db2.gz YAPOWTKSTHMUQO-CABCVRRESA-N 1 1 464.614 -1.030 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001303873414 1067414499 /nfs/dbraw/zinc/41/44/99/1067414499.db2.gz YAPOWTKSTHMUQO-GJZGRUSLSA-N 1 1 464.614 -1.030 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303873416 1067414522 /nfs/dbraw/zinc/41/45/22/1067414522.db2.gz YAPOWTKSTHMUQO-HUUCEWRRSA-N 1 1 464.614 -1.030 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001303873417 1067414435 /nfs/dbraw/zinc/41/44/35/1067414435.db2.gz YAPOWTKSTHMUQO-LSDHHAIUSA-N 1 1 464.614 -1.030 20 0 JAADMO CCC[N@@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001306798012 1067416800 /nfs/dbraw/zinc/41/68/00/1067416800.db2.gz KVNXNMIOCJXAGW-CABCVRRESA-N 1 1 470.600 -1.233 20 0 JAADMO CCC[N@@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001306798013 1067416820 /nfs/dbraw/zinc/41/68/20/1067416820.db2.gz KVNXNMIOCJXAGW-GJZGRUSLSA-N 1 1 470.600 -1.233 20 0 JAADMO CCC[N@@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001306798014 1067416833 /nfs/dbraw/zinc/41/68/33/1067416833.db2.gz KVNXNMIOCJXAGW-HUUCEWRRSA-N 1 1 470.600 -1.233 20 0 JAADMO CCC[N@@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001306798015 1067416754 /nfs/dbraw/zinc/41/67/54/1067416754.db2.gz KVNXNMIOCJXAGW-LSDHHAIUSA-N 1 1 470.600 -1.233 20 0 JAADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)C1 ZINC001307320445 1067416683 /nfs/dbraw/zinc/41/66/83/1067416683.db2.gz ZBCAJVKBJSUFAO-KRWDZBQOSA-N 1 1 453.540 -1.028 20 0 JAADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)C1 ZINC001307320451 1067416780 /nfs/dbraw/zinc/41/67/80/1067416780.db2.gz ZBCAJVKBJSUFAO-QGZVFWFLSA-N 1 1 453.540 -1.028 20 0 JAADMO O=C(C[N@@H+]1CCC(CO)(CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001307927610 1067417602 /nfs/dbraw/zinc/41/76/02/1067417602.db2.gz COJMUQVKYXYECU-UHFFFAOYSA-N 1 1 455.533 -1.033 20 0 JAADMO O=C(C[N@H+]1CCC(CO)(CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001307927610 1067417596 /nfs/dbraw/zinc/41/75/96/1067417596.db2.gz COJMUQVKYXYECU-UHFFFAOYSA-N 1 1 455.533 -1.033 20 0 JAADMO C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001309165083 1067417626 /nfs/dbraw/zinc/41/76/26/1067417626.db2.gz KFBWFLVYMYFZFY-UHFFFAOYSA-N 1 1 451.615 -1.316 20 0 JAADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC001311878858 1067418193 /nfs/dbraw/zinc/41/81/93/1067418193.db2.gz GZVKNYSPKMNLBG-UHFFFAOYSA-N 1 1 459.617 -1.642 20 0 JAADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001313952934 1067419961 /nfs/dbraw/zinc/41/99/61/1067419961.db2.gz VGHHVBHKNJKTCY-GOSISDBHSA-N 1 1 489.625 -1.019 20 0 JAADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001313952938 1067420009 /nfs/dbraw/zinc/42/00/09/1067420009.db2.gz VGHHVBHKNJKTCY-SFHVURJKSA-N 1 1 489.625 -1.019 20 0 JAADMO CCS(=O)(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314522473 1067421699 /nfs/dbraw/zinc/42/16/99/1067421699.db2.gz AOKVPYNJQQBMBM-BBRMVZONSA-N 1 1 452.603 -1.174 20 0 JAADMO CCS(=O)(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314522473 1067421692 /nfs/dbraw/zinc/42/16/92/1067421692.db2.gz AOKVPYNJQQBMBM-BBRMVZONSA-N 1 1 452.603 -1.174 20 0 JAADMO CCS(=O)(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314522474 1067421708 /nfs/dbraw/zinc/42/17/08/1067421708.db2.gz AOKVPYNJQQBMBM-CJNGLKHVSA-N 1 1 452.603 -1.174 20 0 JAADMO CCS(=O)(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314522474 1067421707 /nfs/dbraw/zinc/42/17/07/1067421707.db2.gz AOKVPYNJQQBMBM-CJNGLKHVSA-N 1 1 452.603 -1.174 20 0 JAADMO CCS(=O)(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314522475 1067421741 /nfs/dbraw/zinc/42/17/41/1067421741.db2.gz AOKVPYNJQQBMBM-CZUORRHYSA-N 1 1 452.603 -1.174 20 0 JAADMO CCS(=O)(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314522475 1067421740 /nfs/dbraw/zinc/42/17/40/1067421740.db2.gz AOKVPYNJQQBMBM-CZUORRHYSA-N 1 1 452.603 -1.174 20 0 JAADMO CCS(=O)(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314522476 1067421724 /nfs/dbraw/zinc/42/17/24/1067421724.db2.gz AOKVPYNJQQBMBM-XJKSGUPXSA-N 1 1 452.603 -1.174 20 0 JAADMO CCS(=O)(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314522476 1067421721 /nfs/dbraw/zinc/42/17/21/1067421721.db2.gz AOKVPYNJQQBMBM-XJKSGUPXSA-N 1 1 452.603 -1.174 20 0 JAADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)C1 ZINC001314922349 1067424696 /nfs/dbraw/zinc/42/46/96/1067424696.db2.gz CHBXZGSWBZANJJ-PBHICJAKSA-N 1 1 462.598 -1.754 20 0 JAADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)C1 ZINC001314922350 1067424691 /nfs/dbraw/zinc/42/46/91/1067424691.db2.gz CHBXZGSWBZANJJ-RHSMWYFYSA-N 1 1 462.598 -1.754 20 0 JAADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)C1 ZINC001314922351 1067424605 /nfs/dbraw/zinc/42/46/05/1067424605.db2.gz CHBXZGSWBZANJJ-WMLDXEAASA-N 1 1 462.598 -1.754 20 0 JAADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCS(=O)CC2)C1 ZINC001314922352 1067424564 /nfs/dbraw/zinc/42/45/64/1067424564.db2.gz CHBXZGSWBZANJJ-YOEHRIQHSA-N 1 1 462.598 -1.754 20 0 JAADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)C1 ZINC001314922611 1067424620 /nfs/dbraw/zinc/42/46/20/1067424620.db2.gz FZAIDNXSJTZOPN-APWZRJJASA-N 1 1 458.585 -1.114 20 0 JAADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)C1 ZINC001314922612 1067424549 /nfs/dbraw/zinc/42/45/49/1067424549.db2.gz FZAIDNXSJTZOPN-LPHOPBHVSA-N 1 1 458.585 -1.114 20 0 JAADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)C1 ZINC001314922613 1067424670 /nfs/dbraw/zinc/42/46/70/1067424670.db2.gz FZAIDNXSJTZOPN-QFBILLFUSA-N 1 1 458.585 -1.114 20 0 JAADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)C1 ZINC001314922614 1067424659 /nfs/dbraw/zinc/42/46/59/1067424659.db2.gz FZAIDNXSJTZOPN-VQIMIIECSA-N 1 1 458.585 -1.114 20 0 JAADMO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314924817 1067424638 /nfs/dbraw/zinc/42/46/38/1067424638.db2.gz WLJAJHAXHOWVSE-BBRMVZONSA-N 1 1 450.587 -1.768 20 0 JAADMO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314924817 1067424633 /nfs/dbraw/zinc/42/46/33/1067424633.db2.gz WLJAJHAXHOWVSE-BBRMVZONSA-N 1 1 450.587 -1.768 20 0 JAADMO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001314924818 1067424682 /nfs/dbraw/zinc/42/46/82/1067424682.db2.gz WLJAJHAXHOWVSE-CJNGLKHVSA-N 1 1 450.587 -1.768 20 0 JAADMO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314924818 1067424680 /nfs/dbraw/zinc/42/46/80/1067424680.db2.gz WLJAJHAXHOWVSE-CJNGLKHVSA-N 1 1 450.587 -1.768 20 0 JAADMO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314924819 1067424532 /nfs/dbraw/zinc/42/45/32/1067424532.db2.gz WLJAJHAXHOWVSE-CZUORRHYSA-N 1 1 450.587 -1.768 20 0 JAADMO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314924819 1067424527 /nfs/dbraw/zinc/42/45/27/1067424527.db2.gz WLJAJHAXHOWVSE-CZUORRHYSA-N 1 1 450.587 -1.768 20 0 JAADMO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001314924820 1067424676 /nfs/dbraw/zinc/42/46/76/1067424676.db2.gz WLJAJHAXHOWVSE-XJKSGUPXSA-N 1 1 450.587 -1.768 20 0 JAADMO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314924820 1067424675 /nfs/dbraw/zinc/42/46/75/1067424675.db2.gz WLJAJHAXHOWVSE-XJKSGUPXSA-N 1 1 450.587 -1.768 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001315007157 1067425764 /nfs/dbraw/zinc/42/57/64/1067425764.db2.gz XNKWTWDJOOBTOG-JYJNAYRXSA-N 1 1 473.600 -1.192 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001315007158 1067425702 /nfs/dbraw/zinc/42/57/02/1067425702.db2.gz XNKWTWDJOOBTOG-OAGGEKHMSA-N 1 1 473.600 -1.192 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001315007159 1067425731 /nfs/dbraw/zinc/42/57/31/1067425731.db2.gz XNKWTWDJOOBTOG-PMPSAXMXSA-N 1 1 473.600 -1.192 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001315007160 1067425715 /nfs/dbraw/zinc/42/57/15/1067425715.db2.gz XNKWTWDJOOBTOG-XHSDSOJGSA-N 1 1 473.600 -1.192 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001315065789 1067427000 /nfs/dbraw/zinc/42/70/00/1067427000.db2.gz VJYSGCPEWFOYOE-CABCVRRESA-N 1 1 479.629 -1.404 20 0 JAADMO CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001315065794 1067426950 /nfs/dbraw/zinc/42/69/50/1067426950.db2.gz VJYSGCPEWFOYOE-GJZGRUSLSA-N 1 1 479.629 -1.404 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001315065795 1067426865 /nfs/dbraw/zinc/42/68/65/1067426865.db2.gz VJYSGCPEWFOYOE-HUUCEWRRSA-N 1 1 479.629 -1.404 20 0 JAADMO CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001315065797 1067426966 /nfs/dbraw/zinc/42/69/66/1067426966.db2.gz VJYSGCPEWFOYOE-LSDHHAIUSA-N 1 1 479.629 -1.404 20 0 JAADMO COCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001316068662 1067429778 /nfs/dbraw/zinc/42/97/78/1067429778.db2.gz RRKICTMKHOMRNV-UHFFFAOYSA-N 1 1 494.597 -1.498 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001316071766 1067429684 /nfs/dbraw/zinc/42/96/84/1067429684.db2.gz CTAUGGLMTDPRNO-BBWFWOEESA-N 1 1 465.555 -1.273 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001316071770 1067430379 /nfs/dbraw/zinc/43/03/79/1067430379.db2.gz CTAUGGLMTDPRNO-ULQDDVLXSA-N 1 1 465.555 -1.273 20 0 JAADMO COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1=O ZINC001316119678 1067430370 /nfs/dbraw/zinc/43/03/70/1067430370.db2.gz WAPBDIQNHZXYNJ-BBWFWOEESA-N 1 1 485.611 -1.096 20 0 JAADMO COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1=O ZINC001316119678 1067430368 /nfs/dbraw/zinc/43/03/68/1067430368.db2.gz WAPBDIQNHZXYNJ-BBWFWOEESA-N 1 1 485.611 -1.096 20 0 JAADMO COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1=O ZINC001316119679 1067430342 /nfs/dbraw/zinc/43/03/42/1067430342.db2.gz WAPBDIQNHZXYNJ-BRWVUGGUSA-N 1 1 485.611 -1.096 20 0 JAADMO COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1=O ZINC001316119679 1067430340 /nfs/dbraw/zinc/43/03/40/1067430340.db2.gz WAPBDIQNHZXYNJ-BRWVUGGUSA-N 1 1 485.611 -1.096 20 0 JAADMO COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1=O ZINC001316119680 1067430351 /nfs/dbraw/zinc/43/03/51/1067430351.db2.gz WAPBDIQNHZXYNJ-GVDBMIGSSA-N 1 1 485.611 -1.096 20 0 JAADMO COCCN1C[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1=O ZINC001316119680 1067430350 /nfs/dbraw/zinc/43/03/50/1067430350.db2.gz WAPBDIQNHZXYNJ-GVDBMIGSSA-N 1 1 485.611 -1.096 20 0 JAADMO COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1=O ZINC001316119681 1067430416 /nfs/dbraw/zinc/43/04/16/1067430416.db2.gz WAPBDIQNHZXYNJ-ZACQAIPSSA-N 1 1 485.611 -1.096 20 0 JAADMO COCCN1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1=O ZINC001316119681 1067430414 /nfs/dbraw/zinc/43/04/14/1067430414.db2.gz WAPBDIQNHZXYNJ-ZACQAIPSSA-N 1 1 485.611 -1.096 20 0 JAADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@H]1C ZINC001316133122 1067430399 /nfs/dbraw/zinc/43/03/99/1067430399.db2.gz KCVLZEAXGNZYST-CVEARBPZSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@H]1C ZINC001316133130 1067430359 /nfs/dbraw/zinc/43/03/59/1067430359.db2.gz KCVLZEAXGNZYST-HOTGVXAUSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@H]1C ZINC001316133132 1067430387 /nfs/dbraw/zinc/43/03/87/1067430387.db2.gz KCVLZEAXGNZYST-HZPDHXFCSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)C[C@@H]1C ZINC001316133134 1067430282 /nfs/dbraw/zinc/43/02/82/1067430282.db2.gz KCVLZEAXGNZYST-JKSUJKDBSA-N 1 1 473.600 -1.144 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001316151772 1067431014 /nfs/dbraw/zinc/43/10/14/1067431014.db2.gz PFBSUXUJNVANGO-JOCHJYFZSA-N 1 1 478.598 -1.535 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001316151873 1067430991 /nfs/dbraw/zinc/43/09/91/1067430991.db2.gz PFBSUXUJNVANGO-QFIPXVFZSA-N 1 1 478.598 -1.535 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001316153646 1067430925 /nfs/dbraw/zinc/43/09/25/1067430925.db2.gz FAOAFSVRWAPZCP-JOCHJYFZSA-N 1 1 478.598 -1.648 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001316153647 1067431079 /nfs/dbraw/zinc/43/10/79/1067431079.db2.gz FAOAFSVRWAPZCP-QFIPXVFZSA-N 1 1 478.598 -1.648 20 0 JAADMO CS(=O)(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001316359126 1067433188 /nfs/dbraw/zinc/43/31/88/1067433188.db2.gz ADHKJDMTOXFORQ-AWEZNQCLSA-N 1 1 450.525 -1.005 20 0 JAADMO CS(=O)(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001316359126 1067433183 /nfs/dbraw/zinc/43/31/83/1067433183.db2.gz ADHKJDMTOXFORQ-AWEZNQCLSA-N 1 1 450.525 -1.005 20 0 JAADMO CS(=O)(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001316359127 1067433130 /nfs/dbraw/zinc/43/31/30/1067433130.db2.gz ADHKJDMTOXFORQ-CQSZACIVSA-N 1 1 450.525 -1.005 20 0 JAADMO CS(=O)(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001316359127 1067433127 /nfs/dbraw/zinc/43/31/27/1067433127.db2.gz ADHKJDMTOXFORQ-CQSZACIVSA-N 1 1 450.525 -1.005 20 0 JAADMO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1S(C)(=O)=O ZINC001316502214 1067433697 /nfs/dbraw/zinc/43/36/97/1067433697.db2.gz XWJGVKKIWCHHCC-DAYGRLMNSA-N 1 1 476.625 -1.283 20 0 JAADMO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1S(C)(=O)=O ZINC001316502214 1067433689 /nfs/dbraw/zinc/43/36/89/1067433689.db2.gz XWJGVKKIWCHHCC-DAYGRLMNSA-N 1 1 476.625 -1.283 20 0 JAADMO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1S(C)(=O)=O ZINC001316502215 1067433812 /nfs/dbraw/zinc/43/38/12/1067433812.db2.gz XWJGVKKIWCHHCC-HDMKZQKVSA-N 1 1 476.625 -1.283 20 0 JAADMO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1S(C)(=O)=O ZINC001316502215 1067433808 /nfs/dbraw/zinc/43/38/08/1067433808.db2.gz XWJGVKKIWCHHCC-HDMKZQKVSA-N 1 1 476.625 -1.283 20 0 JAADMO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1S(C)(=O)=O ZINC001316502216 1067433843 /nfs/dbraw/zinc/43/38/43/1067433843.db2.gz XWJGVKKIWCHHCC-MPGHIAIKSA-N 1 1 476.625 -1.283 20 0 JAADMO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1S(C)(=O)=O ZINC001316502216 1067433840 /nfs/dbraw/zinc/43/38/40/1067433840.db2.gz XWJGVKKIWCHHCC-MPGHIAIKSA-N 1 1 476.625 -1.283 20 0 JAADMO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1S(C)(=O)=O ZINC001316502217 1067434282 /nfs/dbraw/zinc/43/42/82/1067434282.db2.gz XWJGVKKIWCHHCC-RLFYNMQTSA-N 1 1 476.625 -1.283 20 0 JAADMO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1S(C)(=O)=O ZINC001316502217 1067434279 /nfs/dbraw/zinc/43/42/79/1067434279.db2.gz XWJGVKKIWCHHCC-RLFYNMQTSA-N 1 1 476.625 -1.283 20 0 JAADMO O=C(CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001337686249 1067438535 /nfs/dbraw/zinc/43/85/35/1067438535.db2.gz LMMVKWQVTJDCTC-INIZCTEOSA-N 1 1 453.569 -1.019 20 0 JAADMO O=C(CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001337686250 1067438552 /nfs/dbraw/zinc/43/85/52/1067438552.db2.gz LMMVKWQVTJDCTC-MRXNPFEDSA-N 1 1 453.569 -1.019 20 0 JAADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001359421091 1067442555 /nfs/dbraw/zinc/44/25/55/1067442555.db2.gz PHZAXPGHTIHDRI-FUHIMQAGSA-N 1 1 485.611 -1.218 20 0 JAADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001359421092 1067443382 /nfs/dbraw/zinc/44/33/82/1067443382.db2.gz PHZAXPGHTIHDRI-HLIPFELVSA-N 1 1 485.611 -1.218 20 0 JAADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001359421093 1067443324 /nfs/dbraw/zinc/44/33/24/1067443324.db2.gz PHZAXPGHTIHDRI-MBOZVWFJSA-N 1 1 485.611 -1.218 20 0 JAADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001359421094 1067443279 /nfs/dbraw/zinc/44/32/79/1067443279.db2.gz PHZAXPGHTIHDRI-UWVAXJGDSA-N 1 1 485.611 -1.218 20 0 JAADMO CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001359459873 1067443407 /nfs/dbraw/zinc/44/34/07/1067443407.db2.gz XJBXIASZSONUPY-DLBZAZTESA-N 1 1 471.584 -1.342 20 0 JAADMO CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001359459873 1067443406 /nfs/dbraw/zinc/44/34/06/1067443406.db2.gz XJBXIASZSONUPY-DLBZAZTESA-N 1 1 471.584 -1.342 20 0 JAADMO CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001359459874 1067443414 /nfs/dbraw/zinc/44/34/14/1067443414.db2.gz XJBXIASZSONUPY-IAGOWNOFSA-N 1 1 471.584 -1.342 20 0 JAADMO CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001359459874 1067443411 /nfs/dbraw/zinc/44/34/11/1067443411.db2.gz XJBXIASZSONUPY-IAGOWNOFSA-N 1 1 471.584 -1.342 20 0 JAADMO CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001359459875 1067443355 /nfs/dbraw/zinc/44/33/55/1067443355.db2.gz XJBXIASZSONUPY-IRXDYDNUSA-N 1 1 471.584 -1.342 20 0 JAADMO CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001359459875 1067443349 /nfs/dbraw/zinc/44/33/49/1067443349.db2.gz XJBXIASZSONUPY-IRXDYDNUSA-N 1 1 471.584 -1.342 20 0 JAADMO CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001359459876 1067443671 /nfs/dbraw/zinc/44/36/71/1067443671.db2.gz XJBXIASZSONUPY-SJORKVTESA-N 1 1 471.584 -1.342 20 0 JAADMO CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001359459876 1067443666 /nfs/dbraw/zinc/44/36/66/1067443666.db2.gz XJBXIASZSONUPY-SJORKVTESA-N 1 1 471.584 -1.342 20 0 JAADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001360111133 1067444470 /nfs/dbraw/zinc/44/44/70/1067444470.db2.gz ZMNUIKSIRUDCSR-CABCVRRESA-N 1 1 453.569 -1.333 20 0 JAADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001360111134 1067444480 /nfs/dbraw/zinc/44/44/80/1067444480.db2.gz ZMNUIKSIRUDCSR-GJZGRUSLSA-N 1 1 453.569 -1.333 20 0 JAADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001360111135 1067444361 /nfs/dbraw/zinc/44/43/61/1067444361.db2.gz ZMNUIKSIRUDCSR-HUUCEWRRSA-N 1 1 453.569 -1.333 20 0 JAADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001360111136 1067444320 /nfs/dbraw/zinc/44/43/20/1067444320.db2.gz ZMNUIKSIRUDCSR-LSDHHAIUSA-N 1 1 453.569 -1.333 20 0 JAADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)C[NH+]1CCOCC1 ZINC001360606908 1067445753 /nfs/dbraw/zinc/44/57/53/1067445753.db2.gz SVDBQCXTCZJHEB-DLBZAZTESA-N 1 1 485.611 -1.094 20 0 JAADMO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)C[NH+]1CCOCC1 ZINC001360606909 1067445596 /nfs/dbraw/zinc/44/55/96/1067445596.db2.gz SVDBQCXTCZJHEB-IAGOWNOFSA-N 1 1 485.611 -1.094 20 0 JAADMO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)C[NH+]1CCOCC1 ZINC001360606910 1067445582 /nfs/dbraw/zinc/44/55/82/1067445582.db2.gz SVDBQCXTCZJHEB-IRXDYDNUSA-N 1 1 485.611 -1.094 20 0 JAADMO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)C[NH+]1CCOCC1 ZINC001360606911 1067445760 /nfs/dbraw/zinc/44/57/60/1067445760.db2.gz SVDBQCXTCZJHEB-SJORKVTESA-N 1 1 485.611 -1.094 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001360680528 1067445731 /nfs/dbraw/zinc/44/57/31/1067445731.db2.gz DGISMFMQYHZYIS-CVEARBPZSA-N 1 1 493.656 -1.062 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001360680529 1067445665 /nfs/dbraw/zinc/44/56/65/1067445665.db2.gz DGISMFMQYHZYIS-HOTGVXAUSA-N 1 1 493.656 -1.062 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001360680530 1067445637 /nfs/dbraw/zinc/44/56/37/1067445637.db2.gz DGISMFMQYHZYIS-HZPDHXFCSA-N 1 1 493.656 -1.062 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001360680531 1067445747 /nfs/dbraw/zinc/44/57/47/1067445747.db2.gz DGISMFMQYHZYIS-JKSUJKDBSA-N 1 1 493.656 -1.062 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360688719 1067446195 /nfs/dbraw/zinc/44/61/95/1067446195.db2.gz PFPASSZJOVDIEW-BMGDILEWSA-N 1 1 476.625 -1.030 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360688720 1067446335 /nfs/dbraw/zinc/44/63/35/1067446335.db2.gz PFPASSZJOVDIEW-JCGIZDLHSA-N 1 1 476.625 -1.030 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360688721 1067446156 /nfs/dbraw/zinc/44/61/56/1067446156.db2.gz PFPASSZJOVDIEW-QGTPRVQTSA-N 1 1 476.625 -1.030 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360688722 1067446117 /nfs/dbraw/zinc/44/61/17/1067446117.db2.gz PFPASSZJOVDIEW-WBAXXEDZSA-N 1 1 476.625 -1.030 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360707525 1067446315 /nfs/dbraw/zinc/44/63/15/1067446315.db2.gz GBHFQTGLEXXBSZ-DYESRHJHSA-N 1 1 498.654 -1.301 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001360707526 1067446253 /nfs/dbraw/zinc/44/62/53/1067446253.db2.gz GBHFQTGLEXXBSZ-LAUBAEHRSA-N 1 1 498.654 -1.301 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360707527 1067446738 /nfs/dbraw/zinc/44/67/38/1067446738.db2.gz GBHFQTGLEXXBSZ-UTKZUKDTSA-N 1 1 498.654 -1.301 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001360707528 1067446776 /nfs/dbraw/zinc/44/67/76/1067446776.db2.gz GBHFQTGLEXXBSZ-UWJYYQICSA-N 1 1 498.654 -1.301 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001360709271 1067447481 /nfs/dbraw/zinc/44/74/81/1067447481.db2.gz LMLPIJRUNDUQED-ARFHVFGLSA-N 1 1 470.600 -1.051 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001360709272 1067447498 /nfs/dbraw/zinc/44/74/98/1067447498.db2.gz LMLPIJRUNDUQED-HRCADAONSA-N 1 1 470.600 -1.051 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001360709273 1067447450 /nfs/dbraw/zinc/44/74/50/1067447450.db2.gz LMLPIJRUNDUQED-JYJNAYRXSA-N 1 1 470.600 -1.051 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001360709274 1067447459 /nfs/dbraw/zinc/44/74/59/1067447459.db2.gz LMLPIJRUNDUQED-XHSDSOJGSA-N 1 1 470.600 -1.051 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360709461 1067447466 /nfs/dbraw/zinc/44/74/66/1067447466.db2.gz NZDKTWKZHJCVQV-ILXRZTDVSA-N 1 1 468.584 -1.480 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360709462 1067447430 /nfs/dbraw/zinc/44/74/30/1067447430.db2.gz NZDKTWKZHJCVQV-KKUMJFAQSA-N 1 1 468.584 -1.480 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360709463 1067447472 /nfs/dbraw/zinc/44/74/72/1067447472.db2.gz NZDKTWKZHJCVQV-QLFBSQMISA-N 1 1 468.584 -1.480 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360709464 1067447485 /nfs/dbraw/zinc/44/74/85/1067447485.db2.gz NZDKTWKZHJCVQV-SOUVJXGZSA-N 1 1 468.584 -1.480 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001447552633 1067449261 /nfs/dbraw/zinc/44/92/61/1067449261.db2.gz FQVXPOLWSYBFKE-HNNXBMFYSA-N 1 1 455.541 -1.649 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001447552651 1067449100 /nfs/dbraw/zinc/44/91/00/1067449100.db2.gz FQVXPOLWSYBFKE-OAHLLOKOSA-N 1 1 455.541 -1.649 20 0 JAADMO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001459744267 1067450440 /nfs/dbraw/zinc/45/04/40/1067450440.db2.gz GCDFBXIUWLTJPR-HZMVEIRTSA-N 1 1 451.611 -1.112 20 0 JAADMO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001459744269 1067450413 /nfs/dbraw/zinc/45/04/13/1067450413.db2.gz GCDFBXIUWLTJPR-MWDXBVQZSA-N 1 1 451.611 -1.112 20 0 JAADMO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001459744270 1067450392 /nfs/dbraw/zinc/45/03/92/1067450392.db2.gz GCDFBXIUWLTJPR-NXOAAHMSSA-N 1 1 451.611 -1.112 20 0 JAADMO CCCN(C(=O)[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001459744271 1067450346 /nfs/dbraw/zinc/45/03/46/1067450346.db2.gz GCDFBXIUWLTJPR-YLFCFFPRSA-N 1 1 451.611 -1.112 20 0 JAADMO O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001460052965 1067450831 /nfs/dbraw/zinc/45/08/31/1067450831.db2.gz DIBALZHGLHGZEX-DOTOQJQBSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001460052965 1067450803 /nfs/dbraw/zinc/45/08/03/1067450803.db2.gz DIBALZHGLHGZEX-DOTOQJQBSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001460053051 1067451051 /nfs/dbraw/zinc/45/10/51/1067451051.db2.gz DIBALZHGLHGZEX-NVXWUHKLSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001460053051 1067451046 /nfs/dbraw/zinc/45/10/46/1067451046.db2.gz DIBALZHGLHGZEX-NVXWUHKLSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001460053061 1067450934 /nfs/dbraw/zinc/45/09/34/1067450934.db2.gz DIBALZHGLHGZEX-RDJZCZTQSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001460053061 1067450931 /nfs/dbraw/zinc/45/09/31/1067450931.db2.gz DIBALZHGLHGZEX-RDJZCZTQSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001460053069 1067451100 /nfs/dbraw/zinc/45/11/00/1067451100.db2.gz DIBALZHGLHGZEX-WBVHZDCISA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001460053069 1067451094 /nfs/dbraw/zinc/45/10/94/1067451094.db2.gz DIBALZHGLHGZEX-WBVHZDCISA-N 1 1 455.533 -1.034 20 0 JAADMO CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001464847697 1067452124 /nfs/dbraw/zinc/45/21/24/1067452124.db2.gz YIWYRDVJGCKFLM-UHFFFAOYSA-N 1 1 458.629 -1.740 20 0 JAADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001465029151 1067452149 /nfs/dbraw/zinc/45/21/49/1067452149.db2.gz IGBOUZHTYWXEIE-DOTOQJQBSA-N 1 1 453.565 -1.025 20 0 JAADMO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001465029161 1067452107 /nfs/dbraw/zinc/45/21/07/1067452107.db2.gz IGBOUZHTYWXEIE-NVXWUHKLSA-N 1 1 453.565 -1.025 20 0 JAADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001465029163 1067452136 /nfs/dbraw/zinc/45/21/36/1067452136.db2.gz IGBOUZHTYWXEIE-RDJZCZTQSA-N 1 1 453.565 -1.025 20 0 JAADMO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001465029166 1067452101 /nfs/dbraw/zinc/45/21/01/1067452101.db2.gz IGBOUZHTYWXEIE-WBVHZDCISA-N 1 1 453.565 -1.025 20 0 JAADMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001473491047 1067453997 /nfs/dbraw/zinc/45/39/97/1067453997.db2.gz RRJJAJMWXIFESR-OKILXGFUSA-N 1 1 452.489 -1.141 20 0 JAADMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001473491047 1067453995 /nfs/dbraw/zinc/45/39/95/1067453995.db2.gz RRJJAJMWXIFESR-OKILXGFUSA-N 1 1 452.489 -1.141 20 0 JAADMO O=C(C[N@H+]1CC[C@@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473555202 1067454174 /nfs/dbraw/zinc/45/41/74/1067454174.db2.gz BZUDQMNUSOJPLG-DOTOQJQBSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@@H+]1CC[C@@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473555202 1067454165 /nfs/dbraw/zinc/45/41/65/1067454165.db2.gz BZUDQMNUSOJPLG-DOTOQJQBSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@H+]1CC[C@@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473555203 1067454138 /nfs/dbraw/zinc/45/41/38/1067454138.db2.gz BZUDQMNUSOJPLG-NVXWUHKLSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473555203 1067454123 /nfs/dbraw/zinc/45/41/23/1067454123.db2.gz BZUDQMNUSOJPLG-NVXWUHKLSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@H+]1CC[C@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473555204 1067454854 /nfs/dbraw/zinc/45/48/54/1067454854.db2.gz BZUDQMNUSOJPLG-RDJZCZTQSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@@H+]1CC[C@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473555204 1067454850 /nfs/dbraw/zinc/45/48/50/1067454850.db2.gz BZUDQMNUSOJPLG-RDJZCZTQSA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@H+]1CC[C@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473555205 1067454775 /nfs/dbraw/zinc/45/47/75/1067454775.db2.gz BZUDQMNUSOJPLG-WBVHZDCISA-N 1 1 455.533 -1.034 20 0 JAADMO O=C(C[N@@H+]1CC[C@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001473555205 1067454773 /nfs/dbraw/zinc/45/47/73/1067454773.db2.gz BZUDQMNUSOJPLG-WBVHZDCISA-N 1 1 455.533 -1.034 20 0 JAADMO C[N@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@H]1CO ZINC001473700974 1067454867 /nfs/dbraw/zinc/45/48/67/1067454867.db2.gz YPQXDLYIHGDTNX-INIZCTEOSA-N 1 1 454.549 -1.101 20 0 JAADMO C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@H]1CO ZINC001473700974 1067454865 /nfs/dbraw/zinc/45/48/65/1067454865.db2.gz YPQXDLYIHGDTNX-INIZCTEOSA-N 1 1 454.549 -1.101 20 0 JAADMO C[N@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@@H]1CO ZINC001473700975 1067454797 /nfs/dbraw/zinc/45/47/97/1067454797.db2.gz YPQXDLYIHGDTNX-MRXNPFEDSA-N 1 1 454.549 -1.101 20 0 JAADMO C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@@H]1CO ZINC001473700975 1067454793 /nfs/dbraw/zinc/45/47/93/1067454793.db2.gz YPQXDLYIHGDTNX-MRXNPFEDSA-N 1 1 454.549 -1.101 20 0 JAADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C2 ZINC001477710797 1067455505 /nfs/dbraw/zinc/45/55/05/1067455505.db2.gz NUKNENDWAUUUPH-HNNXBMFYSA-N 1 1 450.544 -1.399 20 0 JAADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C2 ZINC001477710798 1067455300 /nfs/dbraw/zinc/45/53/00/1067455300.db2.gz NUKNENDWAUUUPH-OAHLLOKOSA-N 1 1 450.544 -1.399 20 0 JAADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC001477928227 1067455261 /nfs/dbraw/zinc/45/52/61/1067455261.db2.gz UXOFFOXONGZVFR-GOSISDBHSA-N 1 1 457.645 -1.026 20 0 JAADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)C2)CC1 ZINC001477928227 1067455255 /nfs/dbraw/zinc/45/52/55/1067455255.db2.gz UXOFFOXONGZVFR-GOSISDBHSA-N 1 1 457.645 -1.026 20 0 JAADMO CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC001477928247 1067455344 /nfs/dbraw/zinc/45/53/44/1067455344.db2.gz UXOFFOXONGZVFR-SFHVURJKSA-N 1 1 457.645 -1.026 20 0 JAADMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)C2)CC1 ZINC001477928247 1067455340 /nfs/dbraw/zinc/45/53/40/1067455340.db2.gz UXOFFOXONGZVFR-SFHVURJKSA-N 1 1 457.645 -1.026 20 0 JAADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001494119099 1067456199 /nfs/dbraw/zinc/45/61/99/1067456199.db2.gz GQLPXBHIWYQHNV-CLCXKQKWSA-N 1 1 471.584 -1.656 20 0 JAADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001494119137 1067456208 /nfs/dbraw/zinc/45/62/08/1067456208.db2.gz GQLPXBHIWYQHNV-SPYBWZPUSA-N 1 1 471.584 -1.656 20 0 JAADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001494119141 1067456152 /nfs/dbraw/zinc/45/61/52/1067456152.db2.gz GQLPXBHIWYQHNV-VCBZYWHSSA-N 1 1 471.584 -1.656 20 0 JAADMO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001494119143 1067456275 /nfs/dbraw/zinc/45/62/75/1067456275.db2.gz GQLPXBHIWYQHNV-ZRGWGRIASA-N 1 1 471.584 -1.656 20 0 JAADMO CCN(CCS(C)(=O)=O)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001502207478 1067458442 /nfs/dbraw/zinc/45/84/42/1067458442.db2.gz KASPCHKFJDLHAO-BBRMVZONSA-N 1 1 452.603 -1.174 20 0 JAADMO CCN(CCS(C)(=O)=O)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001502207478 1067458440 /nfs/dbraw/zinc/45/84/40/1067458440.db2.gz KASPCHKFJDLHAO-BBRMVZONSA-N 1 1 452.603 -1.174 20 0 JAADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001502207479 1067458394 /nfs/dbraw/zinc/45/83/94/1067458394.db2.gz KASPCHKFJDLHAO-CJNGLKHVSA-N 1 1 452.603 -1.174 20 0 JAADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001502207479 1067458389 /nfs/dbraw/zinc/45/83/89/1067458389.db2.gz KASPCHKFJDLHAO-CJNGLKHVSA-N 1 1 452.603 -1.174 20 0 JAADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001502207480 1067458342 /nfs/dbraw/zinc/45/83/42/1067458342.db2.gz KASPCHKFJDLHAO-CZUORRHYSA-N 1 1 452.603 -1.174 20 0 JAADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001502207480 1067458335 /nfs/dbraw/zinc/45/83/35/1067458335.db2.gz KASPCHKFJDLHAO-CZUORRHYSA-N 1 1 452.603 -1.174 20 0 JAADMO CCN(CCS(C)(=O)=O)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001502207481 1067458424 /nfs/dbraw/zinc/45/84/24/1067458424.db2.gz KASPCHKFJDLHAO-XJKSGUPXSA-N 1 1 452.603 -1.174 20 0 JAADMO CCN(CCS(C)(=O)=O)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001502207481 1067458422 /nfs/dbraw/zinc/45/84/22/1067458422.db2.gz KASPCHKFJDLHAO-XJKSGUPXSA-N 1 1 452.603 -1.174 20 0 JAADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502334669 1067458736 /nfs/dbraw/zinc/45/87/36/1067458736.db2.gz NLQOVIOQCPDZJA-CVEARBPZSA-N 1 1 454.601 -1.005 20 0 JAADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502334670 1067458766 /nfs/dbraw/zinc/45/87/66/1067458766.db2.gz NLQOVIOQCPDZJA-HOTGVXAUSA-N 1 1 454.601 -1.005 20 0 JAADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502334671 1067458949 /nfs/dbraw/zinc/45/89/49/1067458949.db2.gz NLQOVIOQCPDZJA-HZPDHXFCSA-N 1 1 454.601 -1.005 20 0 JAADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502334672 1067459007 /nfs/dbraw/zinc/45/90/07/1067459007.db2.gz NLQOVIOQCPDZJA-JKSUJKDBSA-N 1 1 454.601 -1.005 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001502429636 1067459452 /nfs/dbraw/zinc/45/94/52/1067459452.db2.gz COIFSTQWDXLRQU-JXFKEZNVSA-N 1 1 469.612 -1.495 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001502429636 1067459447 /nfs/dbraw/zinc/45/94/47/1067459447.db2.gz COIFSTQWDXLRQU-JXFKEZNVSA-N 1 1 469.612 -1.495 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001502429637 1067459505 /nfs/dbraw/zinc/45/95/05/1067459505.db2.gz COIFSTQWDXLRQU-OXJNMPFZSA-N 1 1 469.612 -1.495 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001502429637 1067459502 /nfs/dbraw/zinc/45/95/02/1067459502.db2.gz COIFSTQWDXLRQU-OXJNMPFZSA-N 1 1 469.612 -1.495 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001502429638 1067459310 /nfs/dbraw/zinc/45/93/10/1067459310.db2.gz COIFSTQWDXLRQU-OXQOHEQNSA-N 1 1 469.612 -1.495 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001502429638 1067459304 /nfs/dbraw/zinc/45/93/04/1067459304.db2.gz COIFSTQWDXLRQU-OXQOHEQNSA-N 1 1 469.612 -1.495 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001502429639 1067459491 /nfs/dbraw/zinc/45/94/91/1067459491.db2.gz COIFSTQWDXLRQU-UZLBHIALSA-N 1 1 469.612 -1.495 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001502429639 1067459486 /nfs/dbraw/zinc/45/94/86/1067459486.db2.gz COIFSTQWDXLRQU-UZLBHIALSA-N 1 1 469.612 -1.495 20 0 JAADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)CC1 ZINC001503225469 1067460559 /nfs/dbraw/zinc/46/05/59/1067460559.db2.gz ZEHVILBNUKIPII-INIZCTEOSA-N 1 1 473.600 -1.142 20 0 JAADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)CC1 ZINC001503225471 1067460647 /nfs/dbraw/zinc/46/06/47/1067460647.db2.gz ZEHVILBNUKIPII-MRXNPFEDSA-N 1 1 473.600 -1.142 20 0 JAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCNS(C)(=O)=O)CC1 ZINC001503679469 1067463880 /nfs/dbraw/zinc/46/38/80/1067463880.db2.gz DKKBSXGTVSIYAW-INIZCTEOSA-N 1 1 482.611 -1.308 20 0 JAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCNS(C)(=O)=O)CC1 ZINC001503679473 1067463810 /nfs/dbraw/zinc/46/38/10/1067463810.db2.gz DKKBSXGTVSIYAW-MRXNPFEDSA-N 1 1 482.611 -1.308 20 0 JAADMO CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503696196 1067463769 /nfs/dbraw/zinc/46/37/69/1067463769.db2.gz JTGIZDQWBYOMTL-CVEARBPZSA-N 1 1 485.611 -1.096 20 0 JAADMO CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503696196 1067463766 /nfs/dbraw/zinc/46/37/66/1067463766.db2.gz JTGIZDQWBYOMTL-CVEARBPZSA-N 1 1 485.611 -1.096 20 0 JAADMO CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503696197 1067463856 /nfs/dbraw/zinc/46/38/56/1067463856.db2.gz JTGIZDQWBYOMTL-HOTGVXAUSA-N 1 1 485.611 -1.096 20 0 JAADMO CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503696197 1067463850 /nfs/dbraw/zinc/46/38/50/1067463850.db2.gz JTGIZDQWBYOMTL-HOTGVXAUSA-N 1 1 485.611 -1.096 20 0 JAADMO CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503696198 1067463718 /nfs/dbraw/zinc/46/37/18/1067463718.db2.gz JTGIZDQWBYOMTL-HZPDHXFCSA-N 1 1 485.611 -1.096 20 0 JAADMO CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503696198 1067463714 /nfs/dbraw/zinc/46/37/14/1067463714.db2.gz JTGIZDQWBYOMTL-HZPDHXFCSA-N 1 1 485.611 -1.096 20 0 JAADMO CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503696199 1067464500 /nfs/dbraw/zinc/46/45/00/1067464500.db2.gz JTGIZDQWBYOMTL-JKSUJKDBSA-N 1 1 485.611 -1.096 20 0 JAADMO CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503696199 1067464496 /nfs/dbraw/zinc/46/44/96/1067464496.db2.gz JTGIZDQWBYOMTL-JKSUJKDBSA-N 1 1 485.611 -1.096 20 0 JAADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001503729335 1067464459 /nfs/dbraw/zinc/46/44/59/1067464459.db2.gz CAPPZOYLCAYZJM-BEVDRBHNSA-N 1 1 485.611 -1.360 20 0 JAADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001503729338 1067464485 /nfs/dbraw/zinc/46/44/85/1067464485.db2.gz CAPPZOYLCAYZJM-CDHQVMDDSA-N 1 1 485.611 -1.360 20 0 JAADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001503729341 1067464383 /nfs/dbraw/zinc/46/43/83/1067464383.db2.gz CAPPZOYLCAYZJM-CWFSZBLJSA-N 1 1 485.611 -1.360 20 0 JAADMO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001503729344 1067464532 /nfs/dbraw/zinc/46/45/32/1067464532.db2.gz CAPPZOYLCAYZJM-YSGRDPCXSA-N 1 1 485.611 -1.360 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503777776 1067465421 /nfs/dbraw/zinc/46/54/21/1067465421.db2.gz ITFUTSQOXUATBW-DOTOQJQBSA-N 1 1 470.596 -1.022 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503777777 1067465518 /nfs/dbraw/zinc/46/55/18/1067465518.db2.gz ITFUTSQOXUATBW-NVXWUHKLSA-N 1 1 470.596 -1.022 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503777778 1067465388 /nfs/dbraw/zinc/46/53/88/1067465388.db2.gz ITFUTSQOXUATBW-RDJZCZTQSA-N 1 1 470.596 -1.022 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001503777779 1067465469 /nfs/dbraw/zinc/46/54/69/1067465469.db2.gz ITFUTSQOXUATBW-WBVHZDCISA-N 1 1 470.596 -1.022 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001503777784 1067465445 /nfs/dbraw/zinc/46/54/45/1067465445.db2.gz IVTTWMZAGLIQMM-BBWFWOEESA-N 1 1 470.596 -1.022 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001503777785 1067465401 /nfs/dbraw/zinc/46/54/01/1067465401.db2.gz IVTTWMZAGLIQMM-IKGGRYGDSA-N 1 1 470.596 -1.022 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001503777786 1067465433 /nfs/dbraw/zinc/46/54/33/1067465433.db2.gz IVTTWMZAGLIQMM-ULQDDVLXSA-N 1 1 470.596 -1.022 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001503777787 1067465480 /nfs/dbraw/zinc/46/54/80/1067465480.db2.gz IVTTWMZAGLIQMM-ZACQAIPSSA-N 1 1 470.596 -1.022 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001503780593 1067465457 /nfs/dbraw/zinc/46/54/57/1067465457.db2.gz RBOKTEYPGKKXFG-DLBZAZTESA-N 1 1 483.595 -1.176 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001503780596 1067465413 /nfs/dbraw/zinc/46/54/13/1067465413.db2.gz RBOKTEYPGKKXFG-IAGOWNOFSA-N 1 1 483.595 -1.176 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001503780597 1067465508 /nfs/dbraw/zinc/46/55/08/1067465508.db2.gz RBOKTEYPGKKXFG-IRXDYDNUSA-N 1 1 483.595 -1.176 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001503780600 1067465499 /nfs/dbraw/zinc/46/54/99/1067465499.db2.gz RBOKTEYPGKKXFG-SJORKVTESA-N 1 1 483.595 -1.176 20 0 JAADMO CNC(=O)CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503796345 1067465941 /nfs/dbraw/zinc/46/59/41/1067465941.db2.gz FPAIILRHYMDCPM-BEFAXECRSA-N 1 1 473.600 -1.360 20 0 JAADMO CNC(=O)CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503796346 1067465905 /nfs/dbraw/zinc/46/59/05/1067465905.db2.gz FPAIILRHYMDCPM-DNVCBOLYSA-N 1 1 473.600 -1.360 20 0 JAADMO CNC(=O)CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503796347 1067465868 /nfs/dbraw/zinc/46/58/68/1067465868.db2.gz FPAIILRHYMDCPM-HNAYVOBHSA-N 1 1 473.600 -1.360 20 0 JAADMO CNC(=O)CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503796348 1067465950 /nfs/dbraw/zinc/46/59/50/1067465950.db2.gz FPAIILRHYMDCPM-KXBFYZLASA-N 1 1 473.600 -1.360 20 0 JAADMO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503815669 1067466347 /nfs/dbraw/zinc/46/63/47/1067466347.db2.gz WTCOCVDFPREFKE-CABCVRRESA-N 1 1 457.557 -1.732 20 0 JAADMO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503815669 1067466344 /nfs/dbraw/zinc/46/63/44/1067466344.db2.gz WTCOCVDFPREFKE-CABCVRRESA-N 1 1 457.557 -1.732 20 0 JAADMO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503815670 1067466373 /nfs/dbraw/zinc/46/63/73/1067466373.db2.gz WTCOCVDFPREFKE-GJZGRUSLSA-N 1 1 457.557 -1.732 20 0 JAADMO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503815670 1067466369 /nfs/dbraw/zinc/46/63/69/1067466369.db2.gz WTCOCVDFPREFKE-GJZGRUSLSA-N 1 1 457.557 -1.732 20 0 JAADMO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503815671 1067466415 /nfs/dbraw/zinc/46/64/15/1067466415.db2.gz WTCOCVDFPREFKE-HUUCEWRRSA-N 1 1 457.557 -1.732 20 0 JAADMO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503815671 1067466412 /nfs/dbraw/zinc/46/64/12/1067466412.db2.gz WTCOCVDFPREFKE-HUUCEWRRSA-N 1 1 457.557 -1.732 20 0 JAADMO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503815672 1067466383 /nfs/dbraw/zinc/46/63/83/1067466383.db2.gz WTCOCVDFPREFKE-LSDHHAIUSA-N 1 1 457.557 -1.732 20 0 JAADMO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503815672 1067466379 /nfs/dbraw/zinc/46/63/79/1067466379.db2.gz WTCOCVDFPREFKE-LSDHHAIUSA-N 1 1 457.557 -1.732 20 0 JAADMO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503835529 1067466990 /nfs/dbraw/zinc/46/69/90/1067466990.db2.gz FGPGASCBUKTJLR-INIZCTEOSA-N 1 1 465.584 -1.029 20 0 JAADMO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503835557 1067466923 /nfs/dbraw/zinc/46/69/23/1067466923.db2.gz FGPGASCBUKTJLR-MRXNPFEDSA-N 1 1 465.584 -1.029 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001504529172 1067467986 /nfs/dbraw/zinc/46/79/86/1067467986.db2.gz XXQZVBRHUFGMBU-KBXCAEBGSA-N 1 1 459.573 -1.750 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001504529174 1067468057 /nfs/dbraw/zinc/46/80/57/1067468057.db2.gz XXQZVBRHUFGMBU-KDOFPFPSSA-N 1 1 459.573 -1.750 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001504529176 1067467889 /nfs/dbraw/zinc/46/78/89/1067467889.db2.gz XXQZVBRHUFGMBU-KSSFIOAISA-N 1 1 459.573 -1.750 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001504529178 1067467975 /nfs/dbraw/zinc/46/79/75/1067467975.db2.gz XXQZVBRHUFGMBU-RDTXWAMCSA-N 1 1 459.573 -1.750 20 0 JAADMO COCCCNC(=O)[C@H](C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001504832953 1067468562 /nfs/dbraw/zinc/46/85/62/1067468562.db2.gz WHWXWYPQIKXRAU-BSRJHKFKSA-N 1 1 492.625 -1.041 20 0 JAADMO COCCCNC(=O)[C@H](C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001504832954 1067468580 /nfs/dbraw/zinc/46/85/80/1067468580.db2.gz WHWXWYPQIKXRAU-IUKKYPGJSA-N 1 1 492.625 -1.041 20 0 JAADMO COCCCNC(=O)[C@H](C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001504832955 1067468452 /nfs/dbraw/zinc/46/84/52/1067468452.db2.gz WHWXWYPQIKXRAU-IXFSTUDKSA-N 1 1 492.625 -1.041 20 0 JAADMO COCCCNC(=O)[C@H](C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001504832956 1067468489 /nfs/dbraw/zinc/46/84/89/1067468489.db2.gz WHWXWYPQIKXRAU-YZZKKUAISA-N 1 1 492.625 -1.041 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001504851014 1067468472 /nfs/dbraw/zinc/46/84/72/1067468472.db2.gz MRIYEZFWXDASBQ-HNNXBMFYSA-N 1 1 459.573 -1.485 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001504851023 1067468533 /nfs/dbraw/zinc/46/85/33/1067468533.db2.gz MRIYEZFWXDASBQ-OAHLLOKOSA-N 1 1 459.573 -1.485 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001504857207 1067468501 /nfs/dbraw/zinc/46/85/01/1067468501.db2.gz INIATZMVEKVYKT-CVEARBPZSA-N 1 1 486.599 -1.597 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001504857208 1067468612 /nfs/dbraw/zinc/46/86/12/1067468612.db2.gz INIATZMVEKVYKT-HOTGVXAUSA-N 1 1 486.599 -1.597 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001504857209 1067468432 /nfs/dbraw/zinc/46/84/32/1067468432.db2.gz INIATZMVEKVYKT-HZPDHXFCSA-N 1 1 486.599 -1.597 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001504857210 1067469346 /nfs/dbraw/zinc/46/93/46/1067469346.db2.gz INIATZMVEKVYKT-JKSUJKDBSA-N 1 1 486.599 -1.597 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504857536 1067469304 /nfs/dbraw/zinc/46/93/04/1067469304.db2.gz MRKDWTXRYMXPDV-KRWDZBQOSA-N 1 1 499.638 -1.068 20 0 JAADMO COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504857536 1067469299 /nfs/dbraw/zinc/46/92/99/1067469299.db2.gz MRKDWTXRYMXPDV-KRWDZBQOSA-N 1 1 499.638 -1.068 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504857540 1067469336 /nfs/dbraw/zinc/46/93/36/1067469336.db2.gz MRKDWTXRYMXPDV-QGZVFWFLSA-N 1 1 499.638 -1.068 20 0 JAADMO COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504857540 1067469334 /nfs/dbraw/zinc/46/93/34/1067469334.db2.gz MRKDWTXRYMXPDV-QGZVFWFLSA-N 1 1 499.638 -1.068 20 0 JAADMO COCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001504859227 1067469319 /nfs/dbraw/zinc/46/93/19/1067469319.db2.gz WWGCAMMIAYBLEF-HNNXBMFYSA-N 1 1 490.590 -1.005 20 0 JAADMO COCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001504859228 1067469283 /nfs/dbraw/zinc/46/92/83/1067469283.db2.gz WWGCAMMIAYBLEF-OAHLLOKOSA-N 1 1 490.590 -1.005 20 0 JAADMO COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)CC1 ZINC001504921094 1067469663 /nfs/dbraw/zinc/46/96/63/1067469663.db2.gz UHKMAERHMRKBNC-HNNXBMFYSA-N 1 1 459.573 -1.532 20 0 JAADMO COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=O)N(C)C)CC1 ZINC001504921096 1067469626 /nfs/dbraw/zinc/46/96/26/1067469626.db2.gz UHKMAERHMRKBNC-OAHLLOKOSA-N 1 1 459.573 -1.532 20 0 JAADMO CC(=O)N1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001508219649 1067474941 /nfs/dbraw/zinc/47/49/41/1067474941.db2.gz GFKNAECNJDFQLH-FXAWDEMLSA-N 1 1 485.611 -1.264 20 0 JAADMO CC(=O)N1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001508219654 1067474951 /nfs/dbraw/zinc/47/49/51/1067474951.db2.gz GFKNAECNJDFQLH-PXNSSMCTSA-N 1 1 485.611 -1.264 20 0 JAADMO CC(=O)N1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001508219657 1067474913 /nfs/dbraw/zinc/47/49/13/1067474913.db2.gz GFKNAECNJDFQLH-XLIONFOSSA-N 1 1 485.611 -1.264 20 0 JAADMO CC(=O)N1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001508219659 1067474990 /nfs/dbraw/zinc/47/49/90/1067474990.db2.gz GFKNAECNJDFQLH-YLJYHZDGSA-N 1 1 485.611 -1.264 20 0 JAADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001508814623 1067476735 /nfs/dbraw/zinc/47/67/35/1067476735.db2.gz VLHFZYZYCLIICY-JXFKEZNVSA-N 1 1 487.627 -1.114 20 0 JAADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001508814628 1067476613 /nfs/dbraw/zinc/47/66/13/1067476613.db2.gz VLHFZYZYCLIICY-OXJNMPFZSA-N 1 1 487.627 -1.114 20 0 JAADMO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001508814631 1067476585 /nfs/dbraw/zinc/47/65/85/1067476585.db2.gz VLHFZYZYCLIICY-OXQOHEQNSA-N 1 1 487.627 -1.114 20 0 JAADMO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001508814634 1067476708 /nfs/dbraw/zinc/47/67/08/1067476708.db2.gz VLHFZYZYCLIICY-UZLBHIALSA-N 1 1 487.627 -1.114 20 0 JAADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001509430150 1067476762 /nfs/dbraw/zinc/47/67/62/1067476762.db2.gz ATXPLCUNOOUQGG-DLBZAZTESA-N 1 1 476.582 -1.080 20 0 JAADMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001509430159 1067476659 /nfs/dbraw/zinc/47/66/59/1067476659.db2.gz ATXPLCUNOOUQGG-IAGOWNOFSA-N 1 1 476.582 -1.080 20 0 JAADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001509430167 1067477195 /nfs/dbraw/zinc/47/71/95/1067477195.db2.gz ATXPLCUNOOUQGG-IRXDYDNUSA-N 1 1 476.582 -1.080 20 0 JAADMO CC(C)C[N@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001509430176 1067477407 /nfs/dbraw/zinc/47/74/07/1067477407.db2.gz ATXPLCUNOOUQGG-SJORKVTESA-N 1 1 476.582 -1.080 20 0 JAADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001509525510 1067477353 /nfs/dbraw/zinc/47/73/53/1067477353.db2.gz DABNHKBRESQTKC-CVEARBPZSA-N 1 1 498.610 -1.902 20 0 JAADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001509525679 1067477383 /nfs/dbraw/zinc/47/73/83/1067477383.db2.gz DABNHKBRESQTKC-HOTGVXAUSA-N 1 1 498.610 -1.902 20 0 JAADMO CC(C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001509525685 1067477301 /nfs/dbraw/zinc/47/73/01/1067477301.db2.gz DABNHKBRESQTKC-HZPDHXFCSA-N 1 1 498.610 -1.902 20 0 JAADMO CC(C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001509525690 1067477387 /nfs/dbraw/zinc/47/73/87/1067477387.db2.gz DABNHKBRESQTKC-JKSUJKDBSA-N 1 1 498.610 -1.902 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509581275 1067477230 /nfs/dbraw/zinc/47/72/30/1067477230.db2.gz DIDNOAHKGWZMQG-BTYIYWSLSA-N 1 1 462.555 -1.531 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509581630 1067477363 /nfs/dbraw/zinc/47/73/63/1067477363.db2.gz DIDNOAHKGWZMQG-QVKFZJNVSA-N 1 1 462.555 -1.531 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509581631 1067477274 /nfs/dbraw/zinc/47/72/74/1067477274.db2.gz DIDNOAHKGWZMQG-VFNWGFHPSA-N 1 1 462.555 -1.531 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001509581632 1067477245 /nfs/dbraw/zinc/47/72/45/1067477245.db2.gz DIDNOAHKGWZMQG-YCRPNKLZSA-N 1 1 462.555 -1.531 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001509680848 1067477805 /nfs/dbraw/zinc/47/78/05/1067477805.db2.gz QLILZQNLRKFBLS-JOCHJYFZSA-N 1 1 478.598 -1.536 20 0 JAADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001509680868 1067477935 /nfs/dbraw/zinc/47/79/35/1067477935.db2.gz QLILZQNLRKFBLS-QFIPXVFZSA-N 1 1 478.598 -1.536 20 0 JAADMO CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001509758774 1067478382 /nfs/dbraw/zinc/47/83/82/1067478382.db2.gz ORGOCWCAGCYITD-CVEARBPZSA-N 1 1 471.584 -1.344 20 0 JAADMO CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001509758774 1067478377 /nfs/dbraw/zinc/47/83/77/1067478377.db2.gz ORGOCWCAGCYITD-CVEARBPZSA-N 1 1 471.584 -1.344 20 0 JAADMO CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001509758789 1067478420 /nfs/dbraw/zinc/47/84/20/1067478420.db2.gz ORGOCWCAGCYITD-HOTGVXAUSA-N 1 1 471.584 -1.344 20 0 JAADMO CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001509758789 1067478414 /nfs/dbraw/zinc/47/84/14/1067478414.db2.gz ORGOCWCAGCYITD-HOTGVXAUSA-N 1 1 471.584 -1.344 20 0 JAADMO CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001509758793 1067478278 /nfs/dbraw/zinc/47/82/78/1067478278.db2.gz ORGOCWCAGCYITD-HZPDHXFCSA-N 1 1 471.584 -1.344 20 0 JAADMO CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001509758793 1067478272 /nfs/dbraw/zinc/47/82/72/1067478272.db2.gz ORGOCWCAGCYITD-HZPDHXFCSA-N 1 1 471.584 -1.344 20 0 JAADMO CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001509758797 1067478331 /nfs/dbraw/zinc/47/83/31/1067478331.db2.gz ORGOCWCAGCYITD-JKSUJKDBSA-N 1 1 471.584 -1.344 20 0 JAADMO CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001509758797 1067478323 /nfs/dbraw/zinc/47/83/23/1067478323.db2.gz ORGOCWCAGCYITD-JKSUJKDBSA-N 1 1 471.584 -1.344 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001510170987 1067478783 /nfs/dbraw/zinc/47/87/83/1067478783.db2.gz HLXYRCAZNWGRTF-HRCADAONSA-N 1 1 493.656 -1.063 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCS(=O)(=O)N(C)C ZINC001510170988 1067478656 /nfs/dbraw/zinc/47/86/56/1067478656.db2.gz HLXYRCAZNWGRTF-JYJNAYRXSA-N 1 1 493.656 -1.063 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001510170989 1067478727 /nfs/dbraw/zinc/47/87/27/1067478727.db2.gz HLXYRCAZNWGRTF-OWCLPIDISA-N 1 1 493.656 -1.063 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001510170990 1067478750 /nfs/dbraw/zinc/47/87/50/1067478750.db2.gz HLXYRCAZNWGRTF-PMPSAXMXSA-N 1 1 493.656 -1.063 20 0 JAADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001514123129 1067482744 /nfs/dbraw/zinc/48/27/44/1067482744.db2.gz HOYOPYQTADHCQY-ARFHVFGLSA-N 1 1 493.656 -1.016 20 0 JAADMO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001514123141 1067482592 /nfs/dbraw/zinc/48/25/92/1067482592.db2.gz HOYOPYQTADHCQY-BZUAXINKSA-N 1 1 493.656 -1.016 20 0 JAADMO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001514123143 1067482786 /nfs/dbraw/zinc/48/27/86/1067482786.db2.gz HOYOPYQTADHCQY-OAGGEKHMSA-N 1 1 493.656 -1.016 20 0 JAADMO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001514123147 1067482728 /nfs/dbraw/zinc/48/27/28/1067482728.db2.gz HOYOPYQTADHCQY-XHSDSOJGSA-N 1 1 493.656 -1.016 20 0 JAADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001515845301 1067483895 /nfs/dbraw/zinc/48/38/95/1067483895.db2.gz MGCBXPGUHPPJMN-CVEARBPZSA-N 1 1 493.656 -1.062 20 0 JAADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001515845303 1067483737 /nfs/dbraw/zinc/48/37/37/1067483737.db2.gz MGCBXPGUHPPJMN-HOTGVXAUSA-N 1 1 493.656 -1.062 20 0 JAADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001515845304 1067483728 /nfs/dbraw/zinc/48/37/28/1067483728.db2.gz MGCBXPGUHPPJMN-HZPDHXFCSA-N 1 1 493.656 -1.062 20 0 JAADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001515845306 1067483928 /nfs/dbraw/zinc/48/39/28/1067483928.db2.gz MGCBXPGUHPPJMN-JKSUJKDBSA-N 1 1 493.656 -1.062 20 0 JAADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001515919869 1067483761 /nfs/dbraw/zinc/48/37/61/1067483761.db2.gz MPTQHGQAHUVOLR-CABCVRRESA-N 1 1 479.629 -1.309 20 0 JAADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001515919870 1067483780 /nfs/dbraw/zinc/48/37/80/1067483780.db2.gz MPTQHGQAHUVOLR-GJZGRUSLSA-N 1 1 479.629 -1.309 20 0 JAADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001515919871 1067483863 /nfs/dbraw/zinc/48/38/63/1067483863.db2.gz MPTQHGQAHUVOLR-HUUCEWRRSA-N 1 1 479.629 -1.309 20 0 JAADMO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001515919872 1067483885 /nfs/dbraw/zinc/48/38/85/1067483885.db2.gz MPTQHGQAHUVOLR-LSDHHAIUSA-N 1 1 479.629 -1.309 20 0 JAADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)CC1 ZINC001516756633 1067485215 /nfs/dbraw/zinc/48/52/15/1067485215.db2.gz ACXKETZBUDATJH-INIZCTEOSA-N 1 1 473.600 -1.094 20 0 JAADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)NC)CC1 ZINC001516756650 1067485238 /nfs/dbraw/zinc/48/52/38/1067485238.db2.gz ACXKETZBUDATJH-MRXNPFEDSA-N 1 1 473.600 -1.094 20 0 JAADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001517413812 1067489124 /nfs/dbraw/zinc/48/91/24/1067489124.db2.gz OARIQJAGOQPGDT-CRAIPNDOSA-N 1 1 476.625 -1.282 20 0 JAADMO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001517413812 1067489118 /nfs/dbraw/zinc/48/91/18/1067489118.db2.gz OARIQJAGOQPGDT-CRAIPNDOSA-N 1 1 476.625 -1.282 20 0 JAADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001517413820 1067489155 /nfs/dbraw/zinc/48/91/55/1067489155.db2.gz OARIQJAGOQPGDT-MAUKXSAKSA-N 1 1 476.625 -1.282 20 0 JAADMO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001517413820 1067489146 /nfs/dbraw/zinc/48/91/46/1067489146.db2.gz OARIQJAGOQPGDT-MAUKXSAKSA-N 1 1 476.625 -1.282 20 0 JAADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001517413824 1067489038 /nfs/dbraw/zinc/48/90/38/1067489038.db2.gz OARIQJAGOQPGDT-QAPCUYQASA-N 1 1 476.625 -1.282 20 0 JAADMO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001517413824 1067489033 /nfs/dbraw/zinc/48/90/33/1067489033.db2.gz OARIQJAGOQPGDT-QAPCUYQASA-N 1 1 476.625 -1.282 20 0 JAADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001517413828 1067489189 /nfs/dbraw/zinc/48/91/89/1067489189.db2.gz OARIQJAGOQPGDT-YJBOKZPZSA-N 1 1 476.625 -1.282 20 0 JAADMO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001517413828 1067489180 /nfs/dbraw/zinc/48/91/80/1067489180.db2.gz OARIQJAGOQPGDT-YJBOKZPZSA-N 1 1 476.625 -1.282 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001517542408 1067491773 /nfs/dbraw/zinc/49/17/73/1067491773.db2.gz ZVQMSKUSDOCBEK-CVEARBPZSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001517542408 1067491769 /nfs/dbraw/zinc/49/17/69/1067491769.db2.gz ZVQMSKUSDOCBEK-CVEARBPZSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001517542408 1067491765 /nfs/dbraw/zinc/49/17/65/1067491765.db2.gz ZVQMSKUSDOCBEK-CVEARBPZSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001517542409 1067491607 /nfs/dbraw/zinc/49/16/07/1067491607.db2.gz ZVQMSKUSDOCBEK-HOTGVXAUSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001517542409 1067491603 /nfs/dbraw/zinc/49/16/03/1067491603.db2.gz ZVQMSKUSDOCBEK-HOTGVXAUSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001517542409 1067491599 /nfs/dbraw/zinc/49/15/99/1067491599.db2.gz ZVQMSKUSDOCBEK-HOTGVXAUSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001517542410 1067491571 /nfs/dbraw/zinc/49/15/71/1067491571.db2.gz ZVQMSKUSDOCBEK-HZPDHXFCSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001517542410 1067491565 /nfs/dbraw/zinc/49/15/65/1067491565.db2.gz ZVQMSKUSDOCBEK-HZPDHXFCSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001517542410 1067491561 /nfs/dbraw/zinc/49/15/61/1067491561.db2.gz ZVQMSKUSDOCBEK-HZPDHXFCSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001517542411 1067491840 /nfs/dbraw/zinc/49/18/40/1067491840.db2.gz ZVQMSKUSDOCBEK-JKSUJKDBSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001517542411 1067491825 /nfs/dbraw/zinc/49/18/25/1067491825.db2.gz ZVQMSKUSDOCBEK-JKSUJKDBSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001517542411 1067491822 /nfs/dbraw/zinc/49/18/22/1067491822.db2.gz ZVQMSKUSDOCBEK-JKSUJKDBSA-N 1 1 486.643 -1.135 20 0 JAADMO CNC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)CCOC)CC1 ZINC001517614577 1067493670 /nfs/dbraw/zinc/49/36/70/1067493670.db2.gz JKPFRFLDOSENDK-INIZCTEOSA-N 1 1 488.615 -1.349 20 0 JAADMO CNC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)CCOC)CC1 ZINC001517614588 1067493550 /nfs/dbraw/zinc/49/35/50/1067493550.db2.gz JKPFRFLDOSENDK-MRXNPFEDSA-N 1 1 488.615 -1.349 20 0 JAADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001517626318 1067494177 /nfs/dbraw/zinc/49/41/77/1067494177.db2.gz WSZWJMVOOLGWGZ-AWEZNQCLSA-N 1 1 450.525 -1.005 20 0 JAADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001517626318 1067494171 /nfs/dbraw/zinc/49/41/71/1067494171.db2.gz WSZWJMVOOLGWGZ-AWEZNQCLSA-N 1 1 450.525 -1.005 20 0 JAADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001517626322 1067494213 /nfs/dbraw/zinc/49/42/13/1067494213.db2.gz WSZWJMVOOLGWGZ-CQSZACIVSA-N 1 1 450.525 -1.005 20 0 JAADMO CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001517626322 1067494206 /nfs/dbraw/zinc/49/42/06/1067494206.db2.gz WSZWJMVOOLGWGZ-CQSZACIVSA-N 1 1 450.525 -1.005 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)CC1 ZINC001518660351 1067495394 /nfs/dbraw/zinc/49/53/94/1067495394.db2.gz AQCVNTBGLYTEON-INIZCTEOSA-N 1 1 473.600 -1.094 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)CC1 ZINC001518660354 1067495480 /nfs/dbraw/zinc/49/54/80/1067495480.db2.gz AQCVNTBGLYTEON-MRXNPFEDSA-N 1 1 473.600 -1.094 20 0 JAADMO COCCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001519059620 1067496494 /nfs/dbraw/zinc/49/64/94/1067496494.db2.gz INONBDWJFPSFFQ-INIZCTEOSA-N 1 1 473.600 -1.094 20 0 JAADMO COCCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001519059621 1067496610 /nfs/dbraw/zinc/49/66/10/1067496610.db2.gz INONBDWJFPSFFQ-MRXNPFEDSA-N 1 1 473.600 -1.094 20 0 JAADMO COCC[N@@H+](C)CCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519110853 1067497184 /nfs/dbraw/zinc/49/71/84/1067497184.db2.gz HPZLPUJLHXSBKA-HNNXBMFYSA-N 1 1 450.544 -1.468 20 0 JAADMO COCC[N@@H+](C)CCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519110860 1067497239 /nfs/dbraw/zinc/49/72/39/1067497239.db2.gz HPZLPUJLHXSBKA-OAHLLOKOSA-N 1 1 450.544 -1.468 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001519111079 1067497384 /nfs/dbraw/zinc/49/73/84/1067497384.db2.gz FYYZUIVDTWWKSR-INIZCTEOSA-N 1 1 473.600 -1.142 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001519111080 1067497250 /nfs/dbraw/zinc/49/72/50/1067497250.db2.gz FYYZUIVDTWWKSR-MRXNPFEDSA-N 1 1 473.600 -1.142 20 0 JAADMO COCC[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001519112602 1067497350 /nfs/dbraw/zinc/49/73/50/1067497350.db2.gz SSYKCYGEPWOSCB-INIZCTEOSA-N 1 1 462.555 -1.484 20 0 JAADMO COCC[N@@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001519112738 1067497084 /nfs/dbraw/zinc/49/70/84/1067497084.db2.gz SSYKCYGEPWOSCB-MRXNPFEDSA-N 1 1 462.555 -1.484 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001519113827 1067497201 /nfs/dbraw/zinc/49/72/01/1067497201.db2.gz GTWZIXHZWFMESY-INIZCTEOSA-N 1 1 464.571 -1.019 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001519113841 1067497312 /nfs/dbraw/zinc/49/73/12/1067497312.db2.gz GTWZIXHZWFMESY-MRXNPFEDSA-N 1 1 464.571 -1.019 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001519117180 1067497440 /nfs/dbraw/zinc/49/74/40/1067497440.db2.gz RAFFFFLHTZCWGP-CVEARBPZSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001519117183 1067497331 /nfs/dbraw/zinc/49/73/31/1067497331.db2.gz RAFFFFLHTZCWGP-HOTGVXAUSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001519117186 1067497223 /nfs/dbraw/zinc/49/72/23/1067497223.db2.gz RAFFFFLHTZCWGP-HZPDHXFCSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001519117190 1067497297 /nfs/dbraw/zinc/49/72/97/1067497297.db2.gz RAFFFFLHTZCWGP-JKSUJKDBSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001519119519 1067497289 /nfs/dbraw/zinc/49/72/89/1067497289.db2.gz YBBDDJICEXGHQL-KRWDZBQOSA-N 1 1 471.628 -1.031 20 0 JAADMO COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001519119519 1067497284 /nfs/dbraw/zinc/49/72/84/1067497284.db2.gz YBBDDJICEXGHQL-KRWDZBQOSA-N 1 1 471.628 -1.031 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001519119543 1067497119 /nfs/dbraw/zinc/49/71/19/1067497119.db2.gz YBBDDJICEXGHQL-QGZVFWFLSA-N 1 1 471.628 -1.031 20 0 JAADMO COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001519119543 1067497115 /nfs/dbraw/zinc/49/71/15/1067497115.db2.gz YBBDDJICEXGHQL-QGZVFWFLSA-N 1 1 471.628 -1.031 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519240303 1067497992 /nfs/dbraw/zinc/49/79/92/1067497992.db2.gz PMZSQKVUWHNZEN-NRFANRHFSA-N 1 1 466.587 -1.633 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519240644 1067497980 /nfs/dbraw/zinc/49/79/80/1067497980.db2.gz PMZSQKVUWHNZEN-OAQYLSRUSA-N 1 1 466.587 -1.633 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519243303 1067497900 /nfs/dbraw/zinc/49/79/00/1067497900.db2.gz CQVYKMRQMZUJRV-HRAATJIYSA-N 1 1 464.571 -1.820 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519243305 1067498091 /nfs/dbraw/zinc/49/80/91/1067498091.db2.gz CQVYKMRQMZUJRV-IERDGZPVSA-N 1 1 464.571 -1.820 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519243306 1067498059 /nfs/dbraw/zinc/49/80/59/1067498059.db2.gz CQVYKMRQMZUJRV-IIBYNOLFSA-N 1 1 464.571 -1.820 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519243309 1067497932 /nfs/dbraw/zinc/49/79/32/1067497932.db2.gz CQVYKMRQMZUJRV-KKSFZXQISA-N 1 1 464.571 -1.820 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519248571 1067498501 /nfs/dbraw/zinc/49/85/01/1067498501.db2.gz LAEAKEQSWUVPDO-DYESRHJHSA-N 1 1 451.572 -1.267 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519248572 1067498640 /nfs/dbraw/zinc/49/86/40/1067498640.db2.gz LAEAKEQSWUVPDO-LAUBAEHRSA-N 1 1 451.572 -1.267 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519248574 1067498749 /nfs/dbraw/zinc/49/87/49/1067498749.db2.gz LAEAKEQSWUVPDO-UTKZUKDTSA-N 1 1 451.572 -1.267 20 0 JAADMO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001519248575 1067498570 /nfs/dbraw/zinc/49/85/70/1067498570.db2.gz LAEAKEQSWUVPDO-UWJYYQICSA-N 1 1 451.572 -1.267 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001539865750 1067501957 /nfs/dbraw/zinc/50/19/57/1067501957.db2.gz RBLRMBCTMXQUAW-IBGZPJMESA-N 1 1 451.568 -1.297 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001539865751 1067502207 /nfs/dbraw/zinc/50/22/07/1067502207.db2.gz RBLRMBCTMXQUAW-LJQANCHMSA-N 1 1 451.568 -1.297 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001541000992 1067503543 /nfs/dbraw/zinc/50/35/43/1067503543.db2.gz JANYXUZJBQHABD-BFYDXBDKSA-N 1 1 484.627 -1.035 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001541000993 1067504105 /nfs/dbraw/zinc/50/41/05/1067504105.db2.gz JANYXUZJBQHABD-HLLBOEOZSA-N 1 1 484.627 -1.035 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001541000994 1067504184 /nfs/dbraw/zinc/50/41/84/1067504184.db2.gz JANYXUZJBQHABD-YQQAZPJKSA-N 1 1 484.627 -1.035 20 0 JAADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001541000995 1067503982 /nfs/dbraw/zinc/50/39/82/1067503982.db2.gz JANYXUZJBQHABD-ZMSDIMECSA-N 1 1 484.627 -1.035 20 0 JAADMO CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001541563165 1067504870 /nfs/dbraw/zinc/50/48/70/1067504870.db2.gz JEWMJQQPWXABSZ-DYESRHJHSA-N 1 1 499.638 -1.018 20 0 JAADMO CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001541563166 1067504817 /nfs/dbraw/zinc/50/48/17/1067504817.db2.gz JEWMJQQPWXABSZ-LAUBAEHRSA-N 1 1 499.638 -1.018 20 0 JAADMO CC(C)CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001541563167 1067504987 /nfs/dbraw/zinc/50/49/87/1067504987.db2.gz JEWMJQQPWXABSZ-UTKZUKDTSA-N 1 1 499.638 -1.018 20 0 JAADMO CC(C)CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001541563168 1067504948 /nfs/dbraw/zinc/50/49/48/1067504948.db2.gz JEWMJQQPWXABSZ-UWJYYQICSA-N 1 1 499.638 -1.018 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001541631744 1067505025 /nfs/dbraw/zinc/50/50/25/1067505025.db2.gz NXNFUECWZYZAQG-NRFANRHFSA-N 1 1 459.555 -1.082 20 0 JAADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001541631745 1067504895 /nfs/dbraw/zinc/50/48/95/1067504895.db2.gz NXNFUECWZYZAQG-OAQYLSRUSA-N 1 1 459.555 -1.082 20 0 JAADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541695070 1067505207 /nfs/dbraw/zinc/50/52/07/1067505207.db2.gz HELFGWUISSRFIM-BEFAXECRSA-N 1 1 473.600 -1.362 20 0 JAADMO CC(C)NC(=O)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541695071 1067505402 /nfs/dbraw/zinc/50/54/02/1067505402.db2.gz HELFGWUISSRFIM-DNVCBOLYSA-N 1 1 473.600 -1.362 20 0 JAADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541695072 1067505486 /nfs/dbraw/zinc/50/54/86/1067505486.db2.gz HELFGWUISSRFIM-HNAYVOBHSA-N 1 1 473.600 -1.362 20 0 JAADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541695073 1067505325 /nfs/dbraw/zinc/50/53/25/1067505325.db2.gz HELFGWUISSRFIM-KXBFYZLASA-N 1 1 473.600 -1.362 20 0 JAADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)C[NH+]1CCOCC1 ZINC001541880129 1067505262 /nfs/dbraw/zinc/50/52/62/1067505262.db2.gz GZVYEQQLIHDBHV-DLBZAZTESA-N 1 1 485.611 -1.142 20 0 JAADMO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)C[NH+]1CCOCC1 ZINC001541880130 1067505307 /nfs/dbraw/zinc/50/53/07/1067505307.db2.gz GZVYEQQLIHDBHV-IAGOWNOFSA-N 1 1 485.611 -1.142 20 0 JAADMO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)C[NH+]1CCOCC1 ZINC001541880131 1067505364 /nfs/dbraw/zinc/50/53/64/1067505364.db2.gz GZVYEQQLIHDBHV-IRXDYDNUSA-N 1 1 485.611 -1.142 20 0 JAADMO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1)C[NH+]1CCOCC1 ZINC001541880132 1067505419 /nfs/dbraw/zinc/50/54/19/1067505419.db2.gz GZVYEQQLIHDBHV-SJORKVTESA-N 1 1 485.611 -1.142 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541930158 1067505723 /nfs/dbraw/zinc/50/57/23/1067505723.db2.gz GJUAFNPQIKOSLY-HEHGZKQESA-N 1 1 450.587 -1.422 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541930158 1067505715 /nfs/dbraw/zinc/50/57/15/1067505715.db2.gz GJUAFNPQIKOSLY-HEHGZKQESA-N 1 1 450.587 -1.422 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541930159 1067505838 /nfs/dbraw/zinc/50/58/38/1067505838.db2.gz GJUAFNPQIKOSLY-WOSRLPQWSA-N 1 1 450.587 -1.422 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541930159 1067505828 /nfs/dbraw/zinc/50/58/28/1067505828.db2.gz GJUAFNPQIKOSLY-WOSRLPQWSA-N 1 1 450.587 -1.422 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541930160 1067506221 /nfs/dbraw/zinc/50/62/21/1067506221.db2.gz GJUAFNPQIKOSLY-XEZPLFJOSA-N 1 1 450.587 -1.422 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541930160 1067506206 /nfs/dbraw/zinc/50/62/06/1067506206.db2.gz GJUAFNPQIKOSLY-XEZPLFJOSA-N 1 1 450.587 -1.422 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541930161 1067506457 /nfs/dbraw/zinc/50/64/57/1067506457.db2.gz GJUAFNPQIKOSLY-ZENOOKHLSA-N 1 1 450.587 -1.422 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541930161 1067506446 /nfs/dbraw/zinc/50/64/46/1067506446.db2.gz GJUAFNPQIKOSLY-ZENOOKHLSA-N 1 1 450.587 -1.422 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541941171 1067506384 /nfs/dbraw/zinc/50/63/84/1067506384.db2.gz FYMVWUBLMMSFON-FTRWYGJKSA-N 1 1 485.611 -1.218 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541941172 1067506492 /nfs/dbraw/zinc/50/64/92/1067506492.db2.gz FYMVWUBLMMSFON-RZQQEMMASA-N 1 1 485.611 -1.218 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541941173 1067506243 /nfs/dbraw/zinc/50/62/43/1067506243.db2.gz FYMVWUBLMMSFON-TWOQFEAHSA-N 1 1 485.611 -1.218 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541941174 1067506271 /nfs/dbraw/zinc/50/62/71/1067506271.db2.gz FYMVWUBLMMSFON-YRNRMSPPSA-N 1 1 485.611 -1.218 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001541946012 1067507102 /nfs/dbraw/zinc/50/71/02/1067507102.db2.gz OMDUANGVJPCBQI-CABCVRRESA-N 1 1 466.568 -1.703 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001541946013 1067507251 /nfs/dbraw/zinc/50/72/51/1067507251.db2.gz OMDUANGVJPCBQI-GJZGRUSLSA-N 1 1 466.568 -1.703 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001541946014 1067507227 /nfs/dbraw/zinc/50/72/27/1067507227.db2.gz OMDUANGVJPCBQI-HUUCEWRRSA-N 1 1 466.568 -1.703 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CC=CCC1 ZINC001541946015 1067507147 /nfs/dbraw/zinc/50/71/47/1067507147.db2.gz OMDUANGVJPCBQI-LSDHHAIUSA-N 1 1 466.568 -1.703 20 0 JAADMO NS(=O)(=O)c1cnn(CCC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC001544368247 1067508146 /nfs/dbraw/zinc/50/81/46/1067508146.db2.gz USQRQFVMPRKTLG-UHFFFAOYSA-N 1 1 456.569 -1.002 20 0 JAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001544483709 1067508506 /nfs/dbraw/zinc/50/85/06/1067508506.db2.gz MFSKQMHNMOVHIK-DLBZAZTESA-N 1 1 458.581 -1.291 20 0 JAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001544483712 1067508437 /nfs/dbraw/zinc/50/84/37/1067508437.db2.gz MFSKQMHNMOVHIK-IAGOWNOFSA-N 1 1 458.581 -1.291 20 0 JAADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001544483714 1067508636 /nfs/dbraw/zinc/50/86/36/1067508636.db2.gz MFSKQMHNMOVHIK-IRXDYDNUSA-N 1 1 458.581 -1.291 20 0 JAADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC001544483716 1067508363 /nfs/dbraw/zinc/50/83/63/1067508363.db2.gz MFSKQMHNMOVHIK-SJORKVTESA-N 1 1 458.581 -1.291 20 0 JAADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545925693 1067447977 /nfs/dbraw/zinc/44/79/77/1067447977.db2.gz SSCHIQPHVGJHFY-BTYIYWSLSA-N 1 1 462.555 -1.590 20 0 JAADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545925694 1067447954 /nfs/dbraw/zinc/44/79/54/1067447954.db2.gz SSCHIQPHVGJHFY-QVKFZJNVSA-N 1 1 462.555 -1.590 20 0 JAADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001545925695 1067448127 /nfs/dbraw/zinc/44/81/27/1067448127.db2.gz SSCHIQPHVGJHFY-VFNWGFHPSA-N 1 1 462.555 -1.590 20 0 JAADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001545925696 1067448155 /nfs/dbraw/zinc/44/81/55/1067448155.db2.gz SSCHIQPHVGJHFY-YCRPNKLZSA-N 1 1 462.555 -1.590 20 0 JAADMO CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001547317209 1067510195 /nfs/dbraw/zinc/51/01/95/1067510195.db2.gz PAOSWAHNVHHFTJ-INIZCTEOSA-N 1 1 473.600 -1.142 20 0 JAADMO CCN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001547317222 1067510177 /nfs/dbraw/zinc/51/01/77/1067510177.db2.gz PAOSWAHNVHHFTJ-MRXNPFEDSA-N 1 1 473.600 -1.142 20 0 JAADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547681652 1067510273 /nfs/dbraw/zinc/51/02/73/1067510273.db2.gz KASMDBTWSANMSQ-ARFHVFGLSA-N 1 1 482.611 -1.090 20 0 JAADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001547681653 1067510064 /nfs/dbraw/zinc/51/00/64/1067510064.db2.gz KASMDBTWSANMSQ-BZUAXINKSA-N 1 1 482.611 -1.090 20 0 JAADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547681654 1067510136 /nfs/dbraw/zinc/51/01/36/1067510136.db2.gz KASMDBTWSANMSQ-OAGGEKHMSA-N 1 1 482.611 -1.090 20 0 JAADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001547681655 1067510611 /nfs/dbraw/zinc/51/06/11/1067510611.db2.gz KASMDBTWSANMSQ-XHSDSOJGSA-N 1 1 482.611 -1.090 20 0 JAADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547733537 1067510565 /nfs/dbraw/zinc/51/05/65/1067510565.db2.gz NZWNTNNFWIEKHU-DLBZAZTESA-N 1 1 486.643 -1.133 20 0 JAADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001547733538 1067510629 /nfs/dbraw/zinc/51/06/29/1067510629.db2.gz NZWNTNNFWIEKHU-IAGOWNOFSA-N 1 1 486.643 -1.133 20 0 JAADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547733539 1067510507 /nfs/dbraw/zinc/51/05/07/1067510507.db2.gz NZWNTNNFWIEKHU-IRXDYDNUSA-N 1 1 486.643 -1.133 20 0 JAADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001547733540 1067510547 /nfs/dbraw/zinc/51/05/47/1067510547.db2.gz NZWNTNNFWIEKHU-SJORKVTESA-N 1 1 486.643 -1.133 20 0 JAADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001547733972 1067510696 /nfs/dbraw/zinc/51/06/96/1067510696.db2.gz KTIFFQPIKCACQC-KRWDZBQOSA-N 1 1 475.598 -1.409 20 0 JAADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001547733973 1067510584 /nfs/dbraw/zinc/51/05/84/1067510584.db2.gz KTIFFQPIKCACQC-QGZVFWFLSA-N 1 1 475.598 -1.409 20 0 JAADMO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001548181799 1067511523 /nfs/dbraw/zinc/51/15/23/1067511523.db2.gz JGCCXZDODACIBM-DLBZAZTESA-N 1 1 476.582 -1.096 20 0 JAADMO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001548181800 1067511309 /nfs/dbraw/zinc/51/13/09/1067511309.db2.gz JGCCXZDODACIBM-IAGOWNOFSA-N 1 1 476.582 -1.096 20 0 JAADMO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001548181801 1067511497 /nfs/dbraw/zinc/51/14/97/1067511497.db2.gz JGCCXZDODACIBM-IRXDYDNUSA-N 1 1 476.582 -1.096 20 0 JAADMO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001548181802 1067511927 /nfs/dbraw/zinc/51/19/27/1067511927.db2.gz JGCCXZDODACIBM-SJORKVTESA-N 1 1 476.582 -1.096 20 0 JAADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)CC1 ZINC001548279578 1067511841 /nfs/dbraw/zinc/51/18/41/1067511841.db2.gz XTSVDXMUJCFSJZ-INIZCTEOSA-N 1 1 473.600 -1.094 20 0 JAADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)CC1 ZINC001548279581 1067511802 /nfs/dbraw/zinc/51/18/02/1067511802.db2.gz XTSVDXMUJCFSJZ-MRXNPFEDSA-N 1 1 473.600 -1.094 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001552384540 1067512372 /nfs/dbraw/zinc/51/23/72/1067512372.db2.gz XDRUMKAUCDQVLR-KBPBESRZSA-N 1 1 465.602 -1.652 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001552384540 1067512365 /nfs/dbraw/zinc/51/23/65/1067512365.db2.gz XDRUMKAUCDQVLR-KBPBESRZSA-N 1 1 465.602 -1.652 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001552384550 1067512235 /nfs/dbraw/zinc/51/22/35/1067512235.db2.gz XDRUMKAUCDQVLR-KGLIPLIRSA-N 1 1 465.602 -1.652 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001552384550 1067512225 /nfs/dbraw/zinc/51/22/25/1067512225.db2.gz XDRUMKAUCDQVLR-KGLIPLIRSA-N 1 1 465.602 -1.652 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001552384553 1067512334 /nfs/dbraw/zinc/51/23/34/1067512334.db2.gz XDRUMKAUCDQVLR-UONOGXRCSA-N 1 1 465.602 -1.652 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001552384553 1067512331 /nfs/dbraw/zinc/51/23/31/1067512331.db2.gz XDRUMKAUCDQVLR-UONOGXRCSA-N 1 1 465.602 -1.652 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001552384557 1067512315 /nfs/dbraw/zinc/51/23/15/1067512315.db2.gz XDRUMKAUCDQVLR-ZIAGYGMSSA-N 1 1 465.602 -1.652 20 0 JAADMO CCS(=O)(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001552384557 1067512309 /nfs/dbraw/zinc/51/23/09/1067512309.db2.gz XDRUMKAUCDQVLR-ZIAGYGMSSA-N 1 1 465.602 -1.652 20 0 JAADMO C[N@H+]1CC[C@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)CC2)C1 ZINC001554357336 1067514742 /nfs/dbraw/zinc/51/47/42/1067514742.db2.gz DKTQOHBWCJBCAU-KBXCAEBGSA-N 1 1 457.557 -1.996 20 0 JAADMO C[N@H+]1CC[C@@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)CC2)C1 ZINC001554357339 1067514550 /nfs/dbraw/zinc/51/45/50/1067514550.db2.gz DKTQOHBWCJBCAU-KDOFPFPSSA-N 1 1 457.557 -1.996 20 0 JAADMO C[N@H+]1CC[C@@](O)(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)CC2)C1 ZINC001554357341 1067514762 /nfs/dbraw/zinc/51/47/62/1067514762.db2.gz DKTQOHBWCJBCAU-KSSFIOAISA-N 1 1 457.557 -1.996 20 0 JAADMO C[N@H+]1CC[C@](O)(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)CC2)C1 ZINC001554357342 1067514673 /nfs/dbraw/zinc/51/46/73/1067514673.db2.gz DKTQOHBWCJBCAU-RDTXWAMCSA-N 1 1 457.557 -1.996 20 0 JAADMO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC001554362685 1067514576 /nfs/dbraw/zinc/51/45/76/1067514576.db2.gz HGMLCXHKASNYDQ-DLBZAZTESA-N 1 1 485.611 -1.264 20 0 JAADMO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC001554362686 1067514629 /nfs/dbraw/zinc/51/46/29/1067514629.db2.gz HGMLCXHKASNYDQ-IAGOWNOFSA-N 1 1 485.611 -1.264 20 0 JAADMO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC001554362687 1067514692 /nfs/dbraw/zinc/51/46/92/1067514692.db2.gz HGMLCXHKASNYDQ-IRXDYDNUSA-N 1 1 485.611 -1.264 20 0 JAADMO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC001554362688 1067514511 /nfs/dbraw/zinc/51/45/11/1067514511.db2.gz HGMLCXHKASNYDQ-SJORKVTESA-N 1 1 485.611 -1.264 20 0 JAADMO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC001554362908 1067514711 /nfs/dbraw/zinc/51/47/11/1067514711.db2.gz LMINIOQMBMTBID-KRWDZBQOSA-N 1 1 498.654 -1.085 20 0 JAADMO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC001554362909 1067514648 /nfs/dbraw/zinc/51/46/48/1067514648.db2.gz LMINIOQMBMTBID-QGZVFWFLSA-N 1 1 498.654 -1.085 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001554443273 1067515065 /nfs/dbraw/zinc/51/50/65/1067515065.db2.gz XTOYHAIMGOQYJR-CABCVRRESA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001554443273 1067515058 /nfs/dbraw/zinc/51/50/58/1067515058.db2.gz XTOYHAIMGOQYJR-CABCVRRESA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001554443274 1067515118 /nfs/dbraw/zinc/51/51/18/1067515118.db2.gz XTOYHAIMGOQYJR-GJZGRUSLSA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001554443274 1067515109 /nfs/dbraw/zinc/51/51/09/1067515109.db2.gz XTOYHAIMGOQYJR-GJZGRUSLSA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001554443275 1067515198 /nfs/dbraw/zinc/51/51/98/1067515198.db2.gz XTOYHAIMGOQYJR-HUUCEWRRSA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001554443275 1067515189 /nfs/dbraw/zinc/51/51/89/1067515189.db2.gz XTOYHAIMGOQYJR-HUUCEWRRSA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001554443276 1067515486 /nfs/dbraw/zinc/51/54/86/1067515486.db2.gz XTOYHAIMGOQYJR-LSDHHAIUSA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001554443276 1067515483 /nfs/dbraw/zinc/51/54/83/1067515483.db2.gz XTOYHAIMGOQYJR-LSDHHAIUSA-N 1 1 473.600 -1.050 20 0 JAADMO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554474950 1067515623 /nfs/dbraw/zinc/51/56/23/1067515623.db2.gz ZTRFJNSKZXMUGQ-KBXCAEBGSA-N 1 1 459.573 -1.750 20 0 JAADMO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554474951 1067515452 /nfs/dbraw/zinc/51/54/52/1067515452.db2.gz ZTRFJNSKZXMUGQ-KDOFPFPSSA-N 1 1 459.573 -1.750 20 0 JAADMO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001554474952 1067515552 /nfs/dbraw/zinc/51/55/52/1067515552.db2.gz ZTRFJNSKZXMUGQ-KSSFIOAISA-N 1 1 459.573 -1.750 20 0 JAADMO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001554474953 1067515674 /nfs/dbraw/zinc/51/56/74/1067515674.db2.gz ZTRFJNSKZXMUGQ-RDTXWAMCSA-N 1 1 459.573 -1.750 20 0 JAADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001554478725 1067515510 /nfs/dbraw/zinc/51/55/10/1067515510.db2.gz UGWSJXPDQGAYPU-CABCVRRESA-N 1 1 470.600 -1.233 20 0 JAADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001554478726 1067515582 /nfs/dbraw/zinc/51/55/82/1067515582.db2.gz UGWSJXPDQGAYPU-GJZGRUSLSA-N 1 1 470.600 -1.233 20 0 JAADMO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001554478727 1067515638 /nfs/dbraw/zinc/51/56/38/1067515638.db2.gz UGWSJXPDQGAYPU-HUUCEWRRSA-N 1 1 470.600 -1.233 20 0 JAADMO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001554478728 1067515462 /nfs/dbraw/zinc/51/54/62/1067515462.db2.gz UGWSJXPDQGAYPU-LSDHHAIUSA-N 1 1 470.600 -1.233 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001555522692 1067517776 /nfs/dbraw/zinc/51/77/76/1067517776.db2.gz HFHKLUNWYVQUFH-CVEARBPZSA-N 1 1 483.595 -1.705 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001555522693 1067517694 /nfs/dbraw/zinc/51/76/94/1067517694.db2.gz HFHKLUNWYVQUFH-HOTGVXAUSA-N 1 1 483.595 -1.705 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001555522694 1067517671 /nfs/dbraw/zinc/51/76/71/1067517671.db2.gz HFHKLUNWYVQUFH-HZPDHXFCSA-N 1 1 483.595 -1.705 20 0 JAADMO COCC[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001555522695 1067517811 /nfs/dbraw/zinc/51/78/11/1067517811.db2.gz HFHKLUNWYVQUFH-JKSUJKDBSA-N 1 1 483.595 -1.705 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001555526775 1067517791 /nfs/dbraw/zinc/51/77/91/1067517791.db2.gz FAMKZJAHNYKCBT-INIZCTEOSA-N 1 1 462.555 -1.265 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001555526776 1067517872 /nfs/dbraw/zinc/51/78/72/1067517872.db2.gz FAMKZJAHNYKCBT-MRXNPFEDSA-N 1 1 462.555 -1.265 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001555527174 1067517843 /nfs/dbraw/zinc/51/78/43/1067517843.db2.gz DOCGVKBCPGIJLB-BEFAXECRSA-N 1 1 473.600 -1.109 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001555527175 1067517606 /nfs/dbraw/zinc/51/76/06/1067517606.db2.gz DOCGVKBCPGIJLB-DNVCBOLYSA-N 1 1 473.600 -1.109 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001555527176 1067517724 /nfs/dbraw/zinc/51/77/24/1067517724.db2.gz DOCGVKBCPGIJLB-HNAYVOBHSA-N 1 1 473.600 -1.109 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001555527177 1067517957 /nfs/dbraw/zinc/51/79/57/1067517957.db2.gz DOCGVKBCPGIJLB-KXBFYZLASA-N 1 1 473.600 -1.109 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001555528049 1067517928 /nfs/dbraw/zinc/51/79/28/1067517928.db2.gz NPJYTTXDEIVSGP-CVEARBPZSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001555528050 1067517902 /nfs/dbraw/zinc/51/79/02/1067517902.db2.gz NPJYTTXDEIVSGP-HOTGVXAUSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001555528051 1067517744 /nfs/dbraw/zinc/51/77/44/1067517744.db2.gz NPJYTTXDEIVSGP-HZPDHXFCSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001555528052 1067517646 /nfs/dbraw/zinc/51/76/46/1067517646.db2.gz NPJYTTXDEIVSGP-JKSUJKDBSA-N 1 1 473.600 -1.144 20 0 JAADMO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001555579629 1067518230 /nfs/dbraw/zinc/51/82/30/1067518230.db2.gz WOXJSSKDWZHNSU-CVEARBPZSA-N 1 1 473.600 -1.096 20 0 JAADMO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001555579630 1067518267 /nfs/dbraw/zinc/51/82/67/1067518267.db2.gz WOXJSSKDWZHNSU-HOTGVXAUSA-N 1 1 473.600 -1.096 20 0 JAADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001555579631 1067518332 /nfs/dbraw/zinc/51/83/32/1067518332.db2.gz WOXJSSKDWZHNSU-HZPDHXFCSA-N 1 1 473.600 -1.096 20 0 JAADMO COCC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001555579632 1067518640 /nfs/dbraw/zinc/51/86/40/1067518640.db2.gz WOXJSSKDWZHNSU-JKSUJKDBSA-N 1 1 473.600 -1.096 20 0 JAADMO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCS(=O)(=O)CC3)n2CC[NH+]2CCCC2)C1 ZINC001555814134 1067519791 /nfs/dbraw/zinc/51/97/91/1067519791.db2.gz XGJTWXANRUQTNI-HNNXBMFYSA-N 1 1 462.598 -1.058 20 0 JAADMO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCS(=O)(=O)CC3)n2CC[NH+]2CCCC2)C1 ZINC001555814135 1067519914 /nfs/dbraw/zinc/51/99/14/1067519914.db2.gz XGJTWXANRUQTNI-OAHLLOKOSA-N 1 1 462.598 -1.058 20 0 JAADMO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC[C@]3(CO)COCC[NH2+]3)ccc2F)CC1 ZINC001557961054 1067520591 /nfs/dbraw/zinc/52/05/91/1067520591.db2.gz SZNKCLUPECPRIN-IBGZPJMESA-N 1 1 458.512 -1.241 20 0 JAADMO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC[C@@]3(CO)COCC[NH2+]3)ccc2F)CC1 ZINC001557961055 1067520728 /nfs/dbraw/zinc/52/07/28/1067520728.db2.gz SZNKCLUPECPRIN-LJQANCHMSA-N 1 1 458.512 -1.241 20 0 JAADMO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC[C@]1(CO)COCC[NH2+]1 ZINC001557961485 1067520802 /nfs/dbraw/zinc/52/08/02/1067520802.db2.gz XEGPBCSFRMLZMP-FQEVSTJZSA-N 1 1 454.549 -1.233 20 0 JAADMO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001557961488 1067521094 /nfs/dbraw/zinc/52/10/94/1067521094.db2.gz XEGPBCSFRMLZMP-HXUWFJFHSA-N 1 1 454.549 -1.233 20 0 JAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001558841199 1067521235 /nfs/dbraw/zinc/52/12/35/1067521235.db2.gz NZXFGESMHMFHIJ-OXJNMPFZSA-N 1 1 452.533 -1.237 20 0 JAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001558841199 1067521225 /nfs/dbraw/zinc/52/12/25/1067521225.db2.gz NZXFGESMHMFHIJ-OXJNMPFZSA-N 1 1 452.533 -1.237 20 0 JAADMO C[NH+]1CCN(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CC1 ZINC001558901899 1067521167 /nfs/dbraw/zinc/52/11/67/1067521167.db2.gz JRXZMGUSMFFUAT-UHFFFAOYSA-N 1 1 452.581 -1.002 20 0 JAADMO COCC[N@@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001559607008 1067521538 /nfs/dbraw/zinc/52/15/38/1067521538.db2.gz WNQVNVLLSGFYIB-HNNXBMFYSA-N 1 1 450.583 -1.421 20 0 JAADMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001559607009 1067521648 /nfs/dbraw/zinc/52/16/48/1067521648.db2.gz WNQVNVLLSGFYIB-OAHLLOKOSA-N 1 1 450.583 -1.421 20 0 JAADMO C[N@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@H](CO)C1 ZINC001560012552 1067521715 /nfs/dbraw/zinc/52/17/15/1067521715.db2.gz YICJPODIFMZUFL-INIZCTEOSA-N 1 1 454.549 -1.101 20 0 JAADMO C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@H](CO)C1 ZINC001560012552 1067521706 /nfs/dbraw/zinc/52/17/06/1067521706.db2.gz YICJPODIFMZUFL-INIZCTEOSA-N 1 1 454.549 -1.101 20 0 JAADMO C[N@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@@H](CO)C1 ZINC001560012556 1067521688 /nfs/dbraw/zinc/52/16/88/1067521688.db2.gz YICJPODIFMZUFL-MRXNPFEDSA-N 1 1 454.549 -1.101 20 0 JAADMO C[N@@H+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@@H](CO)C1 ZINC001560012556 1067521683 /nfs/dbraw/zinc/52/16/83/1067521683.db2.gz YICJPODIFMZUFL-MRXNPFEDSA-N 1 1 454.549 -1.101 20 0 JAADMO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001564006807 1067522434 /nfs/dbraw/zinc/52/24/34/1067522434.db2.gz RQSDTCLRKUGQML-KRWDZBQOSA-N 1 1 450.540 -1.604 20 0 JAADMO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001564006808 1067522640 /nfs/dbraw/zinc/52/26/40/1067522640.db2.gz RQSDTCLRKUGQML-QGZVFWFLSA-N 1 1 450.540 -1.604 20 0 JAADMO CN(C(=O)CNS(=O)(=O)c1cn(C)cn1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001565595349 1067522947 /nfs/dbraw/zinc/52/29/47/1067522947.db2.gz KCWLTNCBVFTLHV-UHFFFAOYSA-N 1 1 455.585 -1.605 20 0 JAADMO Cn1cc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cn1 ZINC001565917150 1067522922 /nfs/dbraw/zinc/52/29/22/1067522922.db2.gz BXRLJBRUDWYFFJ-UHFFFAOYSA-N 1 1 456.569 -1.225 20 0 JAADMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001585049865 1067523539 /nfs/dbraw/zinc/52/35/39/1067523539.db2.gz SWIHKHZKYYOYCE-IBGZPJMESA-N 1 1 450.584 -1.190 20 0 JAADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001585049866 1067523418 /nfs/dbraw/zinc/52/34/18/1067523418.db2.gz SWIHKHZKYYOYCE-LJQANCHMSA-N 1 1 450.584 -1.190 20 0 JAADMO Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC001586683341 1067523460 /nfs/dbraw/zinc/52/34/60/1067523460.db2.gz BBLFTTUTMLTOMZ-UHFFFAOYSA-N 1 1 456.569 -1.225 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001586755222 1067524001 /nfs/dbraw/zinc/52/40/01/1067524001.db2.gz YLLPZJQTEWCLBR-MOPGFXCFSA-N 1 1 451.568 -1.251 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001586755223 1067523930 /nfs/dbraw/zinc/52/39/30/1067523930.db2.gz YLLPZJQTEWCLBR-OALUTQOASA-N 1 1 451.568 -1.251 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001586755224 1067523886 /nfs/dbraw/zinc/52/38/86/1067523886.db2.gz YLLPZJQTEWCLBR-RBUKOAKNSA-N 1 1 451.568 -1.251 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001586755225 1067524054 /nfs/dbraw/zinc/52/40/54/1067524054.db2.gz YLLPZJQTEWCLBR-RTBURBONSA-N 1 1 451.568 -1.251 20 0 JAADMO CC(=O)N1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001596276619 1067526136 /nfs/dbraw/zinc/52/61/36/1067526136.db2.gz PHCKMZIKWAYBIC-AEFFLSMTSA-N 1 1 484.627 -1.427 20 0 JAADMO CC(=O)N1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001596276619 1067526128 /nfs/dbraw/zinc/52/61/28/1067526128.db2.gz PHCKMZIKWAYBIC-AEFFLSMTSA-N 1 1 484.627 -1.427 20 0 JAADMO CC(=O)N1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001596276624 1067526301 /nfs/dbraw/zinc/52/63/01/1067526301.db2.gz PHCKMZIKWAYBIC-FUHWJXTLSA-N 1 1 484.627 -1.427 20 0 JAADMO CC(=O)N1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001596276624 1067526291 /nfs/dbraw/zinc/52/62/91/1067526291.db2.gz PHCKMZIKWAYBIC-FUHWJXTLSA-N 1 1 484.627 -1.427 20 0 JAADMO CC(=O)N1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001596276627 1067526254 /nfs/dbraw/zinc/52/62/54/1067526254.db2.gz PHCKMZIKWAYBIC-SJLPKXTDSA-N 1 1 484.627 -1.427 20 0 JAADMO CC(=O)N1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001596276627 1067526248 /nfs/dbraw/zinc/52/62/48/1067526248.db2.gz PHCKMZIKWAYBIC-SJLPKXTDSA-N 1 1 484.627 -1.427 20 0 JAADMO CC(=O)N1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001596276628 1067526723 /nfs/dbraw/zinc/52/67/23/1067526723.db2.gz PHCKMZIKWAYBIC-WMZOPIPTSA-N 1 1 484.627 -1.427 20 0 JAADMO CC(=O)N1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001596276628 1067526717 /nfs/dbraw/zinc/52/67/17/1067526717.db2.gz PHCKMZIKWAYBIC-WMZOPIPTSA-N 1 1 484.627 -1.427 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)CCO1 ZINC001596635129 1067526570 /nfs/dbraw/zinc/52/65/70/1067526570.db2.gz RYOMKXHKMYAUKR-DOTOQJQBSA-N 1 1 473.600 -1.048 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)CCO1 ZINC001596635130 1067526598 /nfs/dbraw/zinc/52/65/98/1067526598.db2.gz RYOMKXHKMYAUKR-NVXWUHKLSA-N 1 1 473.600 -1.048 20 0 JAADMO CC(=O)NC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)CCO1 ZINC001596635131 1067526664 /nfs/dbraw/zinc/52/66/64/1067526664.db2.gz RYOMKXHKMYAUKR-RDJZCZTQSA-N 1 1 473.600 -1.048 20 0 JAADMO CC(=O)NC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCOCC2)CCO1 ZINC001596635132 1067526685 /nfs/dbraw/zinc/52/66/85/1067526685.db2.gz RYOMKXHKMYAUKR-WBVHZDCISA-N 1 1 473.600 -1.048 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001596658047 1067527183 /nfs/dbraw/zinc/52/71/83/1067527183.db2.gz RSJVKGOCBXLXHR-FCEWJHQRSA-N 1 1 456.569 -1.412 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001596658047 1067527173 /nfs/dbraw/zinc/52/71/73/1067527173.db2.gz RSJVKGOCBXLXHR-FCEWJHQRSA-N 1 1 456.569 -1.412 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001596658048 1067526970 /nfs/dbraw/zinc/52/69/70/1067526970.db2.gz RSJVKGOCBXLXHR-FRQCXROJSA-N 1 1 456.569 -1.412 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001596658048 1067526965 /nfs/dbraw/zinc/52/69/65/1067526965.db2.gz RSJVKGOCBXLXHR-FRQCXROJSA-N 1 1 456.569 -1.412 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001596658049 1067527081 /nfs/dbraw/zinc/52/70/81/1067527081.db2.gz RSJVKGOCBXLXHR-GPMSIDNRSA-N 1 1 456.569 -1.412 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001596658049 1067527072 /nfs/dbraw/zinc/52/70/72/1067527072.db2.gz RSJVKGOCBXLXHR-GPMSIDNRSA-N 1 1 456.569 -1.412 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001596658050 1067527125 /nfs/dbraw/zinc/52/71/25/1067527125.db2.gz RSJVKGOCBXLXHR-MDZRGWNJSA-N 1 1 456.569 -1.412 20 0 JAADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001596658050 1067527115 /nfs/dbraw/zinc/52/71/15/1067527115.db2.gz RSJVKGOCBXLXHR-MDZRGWNJSA-N 1 1 456.569 -1.412 20 0 JAADMO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C[NH+]1CCOCC1 ZINC001611621084 1067528593 /nfs/dbraw/zinc/52/85/93/1067528593.db2.gz FOPZSEIRZCVIPG-CVEARBPZSA-N 1 1 471.584 -1.485 20 0 JAADMO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C[NH+]1CCOCC1 ZINC001611621085 1067528441 /nfs/dbraw/zinc/52/84/41/1067528441.db2.gz FOPZSEIRZCVIPG-HOTGVXAUSA-N 1 1 471.584 -1.485 20 0 JAADMO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C[NH+]1CCOCC1 ZINC001611621086 1067528351 /nfs/dbraw/zinc/52/83/51/1067528351.db2.gz FOPZSEIRZCVIPG-HZPDHXFCSA-N 1 1 471.584 -1.485 20 0 JAADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C[NH+]1CCOCC1 ZINC001611621087 1067528527 /nfs/dbraw/zinc/52/85/27/1067528527.db2.gz FOPZSEIRZCVIPG-JKSUJKDBSA-N 1 1 471.584 -1.485 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001611675089 1067528848 /nfs/dbraw/zinc/52/88/48/1067528848.db2.gz BSWXNQBZRGMYKF-ILXRZTDVSA-N 1 1 479.629 -1.406 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCNS(C)(=O)=O ZINC001611675090 1067528863 /nfs/dbraw/zinc/52/88/63/1067528863.db2.gz BSWXNQBZRGMYKF-KKUMJFAQSA-N 1 1 479.629 -1.406 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001611675091 1067529045 /nfs/dbraw/zinc/52/90/45/1067529045.db2.gz BSWXNQBZRGMYKF-QLFBSQMISA-N 1 1 479.629 -1.406 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCNS(C)(=O)=O ZINC001611675092 1067529209 /nfs/dbraw/zinc/52/92/09/1067529209.db2.gz BSWXNQBZRGMYKF-SOUVJXGZSA-N 1 1 479.629 -1.406 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001611686792 1067528816 /nfs/dbraw/zinc/52/88/16/1067528816.db2.gz MLMIMAHSRHFRHE-DLBZAZTESA-N 1 1 485.611 -1.094 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001611686793 1067529152 /nfs/dbraw/zinc/52/91/52/1067529152.db2.gz MLMIMAHSRHFRHE-IAGOWNOFSA-N 1 1 485.611 -1.094 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001611686794 1067529025 /nfs/dbraw/zinc/52/90/25/1067529025.db2.gz MLMIMAHSRHFRHE-IRXDYDNUSA-N 1 1 485.611 -1.094 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)N1CCOCC1 ZINC001611686795 1067528912 /nfs/dbraw/zinc/52/89/12/1067528912.db2.gz MLMIMAHSRHFRHE-SJORKVTESA-N 1 1 485.611 -1.094 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(O)CCOC1 ZINC001611703423 1067528935 /nfs/dbraw/zinc/52/89/35/1067528935.db2.gz VJPCTXZDBJFUQL-FTRWYGJKSA-N 1 1 485.611 -1.218 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@]1(O)CCOC1 ZINC001611703424 1067528964 /nfs/dbraw/zinc/52/89/64/1067528964.db2.gz VJPCTXZDBJFUQL-RZQQEMMASA-N 1 1 485.611 -1.218 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@]1(O)CCOC1 ZINC001611703425 1067529169 /nfs/dbraw/zinc/52/91/69/1067529169.db2.gz VJPCTXZDBJFUQL-TWOQFEAHSA-N 1 1 485.611 -1.218 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@]1(O)CCOC1 ZINC001611703426 1067529093 /nfs/dbraw/zinc/52/90/93/1067529093.db2.gz VJPCTXZDBJFUQL-YRNRMSPPSA-N 1 1 485.611 -1.218 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611708815 1067529423 /nfs/dbraw/zinc/52/94/23/1067529423.db2.gz GPSFVXQHIPVPJW-FOIQADDNSA-N 1 1 484.627 -1.645 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001611708816 1067529400 /nfs/dbraw/zinc/52/94/00/1067529400.db2.gz GPSFVXQHIPVPJW-MGPUTAFESA-N 1 1 484.627 -1.645 20 0 JAADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611708817 1067529537 /nfs/dbraw/zinc/52/95/37/1067529537.db2.gz GPSFVXQHIPVPJW-QRWLVFNGSA-N 1 1 484.627 -1.645 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001611708818 1067529489 /nfs/dbraw/zinc/52/94/89/1067529489.db2.gz GPSFVXQHIPVPJW-YWZLYKJASA-N 1 1 484.627 -1.645 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001611711037 1067530226 /nfs/dbraw/zinc/53/02/26/1067530226.db2.gz JMMLNKSKIOLWJB-ARFHVFGLSA-N 1 1 491.640 -1.309 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001611711037 1067530221 /nfs/dbraw/zinc/53/02/21/1067530221.db2.gz JMMLNKSKIOLWJB-ARFHVFGLSA-N 1 1 491.640 -1.309 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001611711038 1067530340 /nfs/dbraw/zinc/53/03/40/1067530340.db2.gz JMMLNKSKIOLWJB-HRCADAONSA-N 1 1 491.640 -1.309 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001611711038 1067530334 /nfs/dbraw/zinc/53/03/34/1067530334.db2.gz JMMLNKSKIOLWJB-HRCADAONSA-N 1 1 491.640 -1.309 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001611711039 1067530285 /nfs/dbraw/zinc/53/02/85/1067530285.db2.gz JMMLNKSKIOLWJB-JYJNAYRXSA-N 1 1 491.640 -1.309 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001611711039 1067530278 /nfs/dbraw/zinc/53/02/78/1067530278.db2.gz JMMLNKSKIOLWJB-JYJNAYRXSA-N 1 1 491.640 -1.309 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001611711040 1067530200 /nfs/dbraw/zinc/53/02/00/1067530200.db2.gz JMMLNKSKIOLWJB-XHSDSOJGSA-N 1 1 491.640 -1.309 20 0 JAADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001611711040 1067530192 /nfs/dbraw/zinc/53/01/92/1067530192.db2.gz JMMLNKSKIOLWJB-XHSDSOJGSA-N 1 1 491.640 -1.309 20 0 JAADMO CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001614984268 1067532337 /nfs/dbraw/zinc/53/23/37/1067532337.db2.gz RICYDTGOTQLHGM-CVEARBPZSA-N 1 1 471.584 -1.342 20 0 JAADMO CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001614984268 1067532328 /nfs/dbraw/zinc/53/23/28/1067532328.db2.gz RICYDTGOTQLHGM-CVEARBPZSA-N 1 1 471.584 -1.342 20 0 JAADMO CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001614984269 1067532185 /nfs/dbraw/zinc/53/21/85/1067532185.db2.gz RICYDTGOTQLHGM-HOTGVXAUSA-N 1 1 471.584 -1.342 20 0 JAADMO CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001614984269 1067532174 /nfs/dbraw/zinc/53/21/74/1067532174.db2.gz RICYDTGOTQLHGM-HOTGVXAUSA-N 1 1 471.584 -1.342 20 0 JAADMO CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001614984270 1067532157 /nfs/dbraw/zinc/53/21/57/1067532157.db2.gz RICYDTGOTQLHGM-HZPDHXFCSA-N 1 1 471.584 -1.342 20 0 JAADMO CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001614984270 1067532152 /nfs/dbraw/zinc/53/21/52/1067532152.db2.gz RICYDTGOTQLHGM-HZPDHXFCSA-N 1 1 471.584 -1.342 20 0 JAADMO CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001614984271 1067532377 /nfs/dbraw/zinc/53/23/77/1067532377.db2.gz RICYDTGOTQLHGM-JKSUJKDBSA-N 1 1 471.584 -1.342 20 0 JAADMO CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001614984271 1067532370 /nfs/dbraw/zinc/53/23/70/1067532370.db2.gz RICYDTGOTQLHGM-JKSUJKDBSA-N 1 1 471.584 -1.342 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615937208 1067533124 /nfs/dbraw/zinc/53/31/24/1067533124.db2.gz VEASPTVZRLPVGE-BEFAXECRSA-N 1 1 472.616 -1.787 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615937209 1067533036 /nfs/dbraw/zinc/53/30/36/1067533036.db2.gz VEASPTVZRLPVGE-DNVCBOLYSA-N 1 1 472.616 -1.787 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615937210 1067533017 /nfs/dbraw/zinc/53/30/17/1067533017.db2.gz VEASPTVZRLPVGE-HNAYVOBHSA-N 1 1 472.616 -1.787 20 0 JAADMO CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615937211 1067533137 /nfs/dbraw/zinc/53/31/37/1067533137.db2.gz VEASPTVZRLPVGE-KXBFYZLASA-N 1 1 472.616 -1.787 20 0 JAADMO CC(C)N(CCCNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)S(C)(=O)=O ZINC001616209080 1067533475 /nfs/dbraw/zinc/53/34/75/1067533475.db2.gz ZMAQGFBBXVXZRX-CVEARBPZSA-N 1 1 454.615 -1.750 20 0 JAADMO CC(C)N(CCCNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)S(C)(=O)=O ZINC001616209081 1067533941 /nfs/dbraw/zinc/53/39/41/1067533941.db2.gz ZMAQGFBBXVXZRX-HOTGVXAUSA-N 1 1 454.615 -1.750 20 0 JAADMO CC(C)N(CCCNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)S(C)(=O)=O ZINC001616209082 1067533985 /nfs/dbraw/zinc/53/39/85/1067533985.db2.gz ZMAQGFBBXVXZRX-HZPDHXFCSA-N 1 1 454.615 -1.750 20 0 JAADMO CC(C)N(CCCNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)S(C)(=O)=O ZINC001616209083 1067533836 /nfs/dbraw/zinc/53/38/36/1067533836.db2.gz ZMAQGFBBXVXZRX-JKSUJKDBSA-N 1 1 454.615 -1.750 20 0 JAADMO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC[N@@H+](C)CCOC ZINC001616891264 1067533855 /nfs/dbraw/zinc/53/38/55/1067533855.db2.gz PRJRZWGGGMJAMN-UHFFFAOYSA-N 1 1 467.571 -1.100 20 0 JAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 ZINC001618473387 1067536068 /nfs/dbraw/zinc/53/60/68/1067536068.db2.gz AJFMXTIODGRZEA-CABCVRRESA-N 1 1 468.584 -1.479 20 0 JAADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 ZINC001618473393 1067536031 /nfs/dbraw/zinc/53/60/31/1067536031.db2.gz AJFMXTIODGRZEA-GJZGRUSLSA-N 1 1 468.584 -1.479 20 0 JAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 ZINC001618473396 1067535831 /nfs/dbraw/zinc/53/58/31/1067535831.db2.gz AJFMXTIODGRZEA-HUUCEWRRSA-N 1 1 468.584 -1.479 20 0 JAADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 ZINC001618473398 1067535976 /nfs/dbraw/zinc/53/59/76/1067535976.db2.gz AJFMXTIODGRZEA-LSDHHAIUSA-N 1 1 468.584 -1.479 20 0 JAADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001618647348 1067536815 /nfs/dbraw/zinc/53/68/15/1067536815.db2.gz XPYMPILKERSZRI-GQIGUUNPSA-N 1 1 485.611 -1.360 20 0 JAADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001618647349 1067536834 /nfs/dbraw/zinc/53/68/34/1067536834.db2.gz XPYMPILKERSZRI-GUXCAODWSA-N 1 1 485.611 -1.360 20 0 JAADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001618647350 1067536870 /nfs/dbraw/zinc/53/68/70/1067536870.db2.gz XPYMPILKERSZRI-JXXFODFXSA-N 1 1 485.611 -1.360 20 0 JAADMO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001618647351 1067536778 /nfs/dbraw/zinc/53/67/78/1067536778.db2.gz XPYMPILKERSZRI-QINHECLXSA-N 1 1 485.611 -1.360 20 0 JAADMO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001618804126 1067537666 /nfs/dbraw/zinc/53/76/66/1067537666.db2.gz FWOVJPUKRGMECN-DLBZAZTESA-N 1 1 485.611 -1.094 20 0 JAADMO CNC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001618804127 1067538082 /nfs/dbraw/zinc/53/80/82/1067538082.db2.gz FWOVJPUKRGMECN-IAGOWNOFSA-N 1 1 485.611 -1.094 20 0 JAADMO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001618804229 1067538036 /nfs/dbraw/zinc/53/80/36/1067538036.db2.gz FWOVJPUKRGMECN-IRXDYDNUSA-N 1 1 485.611 -1.094 20 0 JAADMO CNC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001618804231 1067537980 /nfs/dbraw/zinc/53/79/80/1067537980.db2.gz FWOVJPUKRGMECN-SJORKVTESA-N 1 1 485.611 -1.094 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001618845288 1067538578 /nfs/dbraw/zinc/53/85/78/1067538578.db2.gz YGBSDHLTTVQTAH-JYJNAYRXSA-N 1 1 491.640 -1.167 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001618845289 1067538435 /nfs/dbraw/zinc/53/84/35/1067538435.db2.gz YGBSDHLTTVQTAH-OAGGEKHMSA-N 1 1 491.640 -1.167 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001618845290 1067538459 /nfs/dbraw/zinc/53/84/59/1067538459.db2.gz YGBSDHLTTVQTAH-PMPSAXMXSA-N 1 1 491.640 -1.167 20 0 JAADMO CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001618845291 1067538567 /nfs/dbraw/zinc/53/85/67/1067538567.db2.gz YGBSDHLTTVQTAH-XHSDSOJGSA-N 1 1 491.640 -1.167 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001619549968 1067538995 /nfs/dbraw/zinc/53/89/95/1067538995.db2.gz RSKKGSYZMDDRMM-BEFAXECRSA-N 1 1 456.569 -1.458 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001619549968 1067538984 /nfs/dbraw/zinc/53/89/84/1067538984.db2.gz RSKKGSYZMDDRMM-BEFAXECRSA-N 1 1 456.569 -1.458 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001619549969 1067538836 /nfs/dbraw/zinc/53/88/36/1067538836.db2.gz RSKKGSYZMDDRMM-DNVCBOLYSA-N 1 1 456.569 -1.458 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001619549969 1067538830 /nfs/dbraw/zinc/53/88/30/1067538830.db2.gz RSKKGSYZMDDRMM-DNVCBOLYSA-N 1 1 456.569 -1.458 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001619549970 1067538873 /nfs/dbraw/zinc/53/88/73/1067538873.db2.gz RSKKGSYZMDDRMM-HNAYVOBHSA-N 1 1 456.569 -1.458 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001619549970 1067538867 /nfs/dbraw/zinc/53/88/67/1067538867.db2.gz RSKKGSYZMDDRMM-HNAYVOBHSA-N 1 1 456.569 -1.458 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001619549971 1067538960 /nfs/dbraw/zinc/53/89/60/1067538960.db2.gz RSKKGSYZMDDRMM-KXBFYZLASA-N 1 1 456.569 -1.458 20 0 JAADMO COCC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001619549971 1067538948 /nfs/dbraw/zinc/53/89/48/1067538948.db2.gz RSKKGSYZMDDRMM-KXBFYZLASA-N 1 1 456.569 -1.458 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001619881411 1067539711 /nfs/dbraw/zinc/53/97/11/1067539711.db2.gz UOEGFXUBILSSHN-GOSISDBHSA-N 1 1 479.582 -1.132 20 0 JAADMO COCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001619881412 1067539784 /nfs/dbraw/zinc/53/97/84/1067539784.db2.gz UOEGFXUBILSSHN-SFHVURJKSA-N 1 1 479.582 -1.132 20 0 JAADMO COCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001619882140 1067539630 /nfs/dbraw/zinc/53/96/30/1067539630.db2.gz QATWPOUHCXFWCP-UHFFFAOYSA-N 1 1 476.582 -1.094 20 0 JAADMO COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001619943674 1067540056 /nfs/dbraw/zinc/54/00/56/1067540056.db2.gz NAWACMJKHJHTNL-HNNXBMFYSA-N 1 1 456.569 -1.063 20 0 JAADMO COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001619943675 1067540168 /nfs/dbraw/zinc/54/01/68/1067540168.db2.gz NAWACMJKHJHTNL-OAHLLOKOSA-N 1 1 456.569 -1.063 20 0 JAADMO COCC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 ZINC001619947255 1067540570 /nfs/dbraw/zinc/54/05/70/1067540570.db2.gz UHVQAKZWWIMEEN-INIZCTEOSA-N 1 1 473.600 -1.142 20 0 JAADMO COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(=O)N(C)C)CC1 ZINC001619947256 1067540620 /nfs/dbraw/zinc/54/06/20/1067540620.db2.gz UHVQAKZWWIMEEN-MRXNPFEDSA-N 1 1 473.600 -1.142 20 0 JAADMO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCNC(=O)CC3)n2CCC[NH+]2CCOCC2)C1 ZINC001620172017 1067542039 /nfs/dbraw/zinc/54/20/39/1067542039.db2.gz QNLCIDDSQIRIFV-INIZCTEOSA-N 1 1 471.584 -1.340 20 0 JAADMO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCNC(=O)CC3)n2CCC[NH+]2CCOCC2)C1 ZINC001620172018 1067541910 /nfs/dbraw/zinc/54/19/10/1067541910.db2.gz QNLCIDDSQIRIFV-MRXNPFEDSA-N 1 1 471.584 -1.340 20 0 JAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC001625689041 1067544274 /nfs/dbraw/zinc/54/42/74/1067544274.db2.gz OQKZPZUBIJKIHN-FOIQADDNSA-N 1 1 453.540 -1.103 20 0 JAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC001625689042 1067544181 /nfs/dbraw/zinc/54/41/81/1067544181.db2.gz OQKZPZUBIJKIHN-MGPUTAFESA-N 1 1 453.540 -1.103 20 0 JAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC001625689043 1067544420 /nfs/dbraw/zinc/54/44/20/1067544420.db2.gz OQKZPZUBIJKIHN-QRWLVFNGSA-N 1 1 453.540 -1.103 20 0 JAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC001625689044 1067544365 /nfs/dbraw/zinc/54/43/65/1067544365.db2.gz OQKZPZUBIJKIHN-YWZLYKJASA-N 1 1 453.540 -1.103 20 0 JAADMO CN(C(=O)CCn1cc(S(N)(=O)=O)cn1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001627052285 1067544210 /nfs/dbraw/zinc/54/42/10/1067544210.db2.gz AWYYQDKGBXOWHY-UHFFFAOYSA-N 1 1 455.585 -1.383 20 0 JAADMO CN(C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001628180108 1067544392 /nfs/dbraw/zinc/54/43/92/1067544392.db2.gz VDNFYVWXRDJWQT-NJDAHSKKSA-N 1 1 475.594 -1.393 20 0 JAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1=O ZINC001629136566 1067545094 /nfs/dbraw/zinc/54/50/94/1067545094.db2.gz DDZWSVCAEFDTLK-CABCVRRESA-N 1 1 457.553 -1.553 20 0 JAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1=O ZINC001629136567 1067545231 /nfs/dbraw/zinc/54/52/31/1067545231.db2.gz DDZWSVCAEFDTLK-GJZGRUSLSA-N 1 1 457.553 -1.553 20 0 JAADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1=O ZINC001629136568 1067545164 /nfs/dbraw/zinc/54/51/64/1067545164.db2.gz DDZWSVCAEFDTLK-HUUCEWRRSA-N 1 1 457.553 -1.553 20 0 JAADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1=O ZINC001629136569 1067545267 /nfs/dbraw/zinc/54/52/67/1067545267.db2.gz DDZWSVCAEFDTLK-LSDHHAIUSA-N 1 1 457.553 -1.553 20 0 JAADMO CNS(=O)(=O)N1CCC(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC001632665210 1067545891 /nfs/dbraw/zinc/54/58/91/1067545891.db2.gz SLDDNFXDHHFMCD-UHFFFAOYSA-N 1 1 458.629 -1.141 20 0 JAADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001635104462 1067546720 /nfs/dbraw/zinc/54/67/20/1067546720.db2.gz QDIBKUOFXLRETN-DLBZAZTESA-N 1 1 454.524 -1.394 20 0 JAADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001635104463 1067546914 /nfs/dbraw/zinc/54/69/14/1067546914.db2.gz QDIBKUOFXLRETN-IAGOWNOFSA-N 1 1 454.524 -1.394 20 0 JAADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001635104464 1067546885 /nfs/dbraw/zinc/54/68/85/1067546885.db2.gz QDIBKUOFXLRETN-IRXDYDNUSA-N 1 1 454.524 -1.394 20 0 JAADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001635104465 1067546753 /nfs/dbraw/zinc/54/67/53/1067546753.db2.gz QDIBKUOFXLRETN-SJORKVTESA-N 1 1 454.524 -1.394 20 0 JAADMO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001636006409 1067546846 /nfs/dbraw/zinc/54/68/46/1067546846.db2.gz OLFUQBWVMDUMFL-UHFFFAOYSA-N 1 1 451.524 -1.129 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001638537900 1067547465 /nfs/dbraw/zinc/54/74/65/1067547465.db2.gz RTFBXECLHFXMMG-INIZCTEOSA-N 1 1 454.553 -1.044 20 0 JAADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC001638537901 1067547325 /nfs/dbraw/zinc/54/73/25/1067547325.db2.gz RTFBXECLHFXMMG-MRXNPFEDSA-N 1 1 454.553 -1.044 20 0 JAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001640792925 1067547709 /nfs/dbraw/zinc/54/77/09/1067547709.db2.gz YZOUXVQMWPJHJQ-OXJNMPFZSA-N 1 1 452.533 -1.237 20 0 JAADMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001640792925 1067547704 /nfs/dbraw/zinc/54/77/04/1067547704.db2.gz YZOUXVQMWPJHJQ-OXJNMPFZSA-N 1 1 452.533 -1.237 20 0 JAADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001644246661 1067548661 /nfs/dbraw/zinc/54/86/61/1067548661.db2.gz NHCXDVGZNWNYBG-IYBDPMFKSA-N 1 1 455.533 -1.177 20 0 JAADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 ZINC001644334769 1067548573 /nfs/dbraw/zinc/54/85/73/1067548573.db2.gz ZWIRFUOGPFPUBC-UHFFFAOYSA-N 1 1 457.597 -1.038 20 0 JAADMO CN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)C[C@H]2C1=O ZINC001648061090 1067549151 /nfs/dbraw/zinc/54/91/51/1067549151.db2.gz NIGPJAHHUPRNCT-IYBDPMFKSA-N 1 1 450.517 -1.130 20 0 JAADMO C[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC001659527321 1067551293 /nfs/dbraw/zinc/55/12/93/1067551293.db2.gz YOPLZQVDWCRZRI-UHFFFAOYSA-N 1 1 459.594 -1.014 20 0 JAADMO CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001659620051 1067551441 /nfs/dbraw/zinc/55/14/41/1067551441.db2.gz KWOVBPIBOLURAS-UHFFFAOYSA-N 1 1 454.615 -1.242 20 0 JAADMO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001659627733 1067551456 /nfs/dbraw/zinc/55/14/56/1067551456.db2.gz WRKPUOFKYXOQBM-HOTGVXAUSA-N 1 1 455.624 -1.063 20 0 JAADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC001674103009 1067553065 /nfs/dbraw/zinc/55/30/65/1067553065.db2.gz HCHYBUCDLWGUQI-UHFFFAOYSA-N 1 1 450.544 -1.351 20 0 JAADMO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001684835821 1067553411 /nfs/dbraw/zinc/55/34/11/1067553411.db2.gz AHZOVXPNEYWDIK-FQEVSTJZSA-N 1 1 452.600 -1.031 20 0 JAADMO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001684835822 1067553739 /nfs/dbraw/zinc/55/37/39/1067553739.db2.gz AHZOVXPNEYWDIK-HXUWFJFHSA-N 1 1 452.600 -1.031 20 0 JAADMO