smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCc1cccc(CNC(N)=[NH2+])n1 ZINC000000112064 181191157 /nfs/dbraw/zinc/19/11/57/181191157.db2.gz AJZJXPNIFWAHHT-UHFFFAOYSA-N 2 0 221.268 -0.952 10 0 BBAERP C[C@H](CC(N)=[NH2+])NC(=O)[C@@H]1CCC(N)=[NH+]1 ZINC000003590852 176598287 /nfs/dbraw/zinc/59/82/87/176598287.db2.gz CFGXIGMWGOTYNQ-RITPCOANSA-N 2 0 211.269 -0.663 10 0 BBAERP [NH3+]CCCC[NH2+]CCCC[C@H]([NH3+])C(=O)[O-] ZINC000005113207 181377237 /nfs/dbraw/zinc/37/72/37/181377237.db2.gz PGPFBXMCOQNMJO-VIFPVBQESA-N 2 0 217.313 -0.103 10 0 endogenous,in-man BBAERP [NH3+]CCCNCCC[NH2+]CCCNCCC[NH3+] ZINC000005178755 181381689 /nfs/dbraw/zinc/38/16/89/181381689.db2.gz BELZJFWUNQWBES-UHFFFAOYSA-N 3 0 245.415 -0.767 10 0 in-vitro BBAERP OCC[n+]1ccc(-c2cc[n+](CCO)cc2)cc1 ZINC000006091546 183100298 /nfs/dbraw/zinc/10/02/98/183100298.db2.gz WQYMYNGQFSHSRM-UHFFFAOYSA-N 2 0 246.310 -0.087 10 0 BBAERP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000006904639 182293379 /nfs/dbraw/zinc/29/33/79/182293379.db2.gz XHQCQIFGYFFVQD-VHSXEESVSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000006904640 182329726 /nfs/dbraw/zinc/32/97/26/182329726.db2.gz XHQCQIFGYFFVQD-UWVGGRQHSA-N 2 0 211.309 -0.146 10 0 BBAERP [NH3+]CCCCN(CCC[NH3+])CCC[NH3+] ZINC000013377753 560215689 /nfs/dbraw/zinc/21/56/89/560215689.db2.gz CAARYRKDWMNHCB-UHFFFAOYSA-N 3 0 202.346 -0.275 10 0 in-vitro BBAERP CC[NH2+]CCC[NH2+]CCCNCCC[NH3+] ZINC000013522208 170112486 /nfs/dbraw/zinc/11/24/86/170112486.db2.gz KGQJFMWBIDICOP-UHFFFAOYSA-N 3 0 216.373 -0.096 10 0 BBAERP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCSC1 ZINC000013529424 181378902 /nfs/dbraw/zinc/37/89/02/181378902.db2.gz OIOCYLDAIBUSNI-QMMMGPOBSA-N 2 0 217.338 -0.024 10 0 BBAERP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](O)C1 ZINC000013529452 181378081 /nfs/dbraw/zinc/37/80/81/181378081.db2.gz PEJHUYTWYJXSMC-BDAKNGLRSA-N 2 0 215.297 -0.964 10 0 BBAERP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H](O)C1 ZINC000013529455 181378340 /nfs/dbraw/zinc/37/83/40/181378340.db2.gz PEJHUYTWYJXSMC-IUCAKERBSA-N 2 0 215.297 -0.964 10 0 BBAERP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCSC1 ZINC000013529550 181385864 /nfs/dbraw/zinc/38/58/64/181385864.db2.gz UUHJOLDDPKIPEA-ZETCQYMHSA-N 2 0 203.311 -0.415 10 0 BBAERP NC(=[NH2+])NCCCCCCCNC(N)=[NH2+] ZINC000013545924 181188943 /nfs/dbraw/zinc/18/89/43/181188943.db2.gz OEYZRZQNTMPUOQ-UHFFFAOYSA-N 2 0 214.317 -0.097 10 0 BBAERP C[NH2+]CCCNCCC[NH2+]CCC[NH2+]C ZINC000013602316 173349030 /nfs/dbraw/zinc/34/90/30/173349030.db2.gz BMJCJVTXKSZCRL-UHFFFAOYSA-N 3 0 216.373 -0.225 10 0 BBAERP NC(=[NH2+])NCCCSCCCNC(N)=[NH2+] ZINC000013742480 181189487 /nfs/dbraw/zinc/18/94/87/181189487.db2.gz DJADGLADMILJRX-UHFFFAOYSA-N 2 0 232.357 -0.534 10 0 BBAERP NC(=[NH2+])NCCCCSCCCNC(N)=[NH2+] ZINC000013742482 181189328 /nfs/dbraw/zinc/18/93/28/181189328.db2.gz XURRNBSODMWJJF-UHFFFAOYSA-N 2 0 246.384 -0.144 10 0 BBAERP O[C@H]1[C@@H](O)C[NH2+][C@H]1CC[NH2+]Cc1ccccc1 ZINC000013859304 387596789 /nfs/dbraw/zinc/59/67/89/387596789.db2.gz ZNIOAVFONLBYAN-RWMBFGLXSA-N 2 0 236.315 -0.140 10 0 BBAERP O[C@@H]1C[NH2+][C@H](CC[NH2+]Cc2ccccc2)[C@@H]1O ZINC000013859318 387596254 /nfs/dbraw/zinc/59/62/54/387596254.db2.gz ZNIOAVFONLBYAN-UPJWGTAASA-N 2 0 236.315 -0.140 10 0 BBAERP C[NH+]1CCN(CN2CC[NH+](C)CC2)CC1 ZINC000019321823 173081476 /nfs/dbraw/zinc/08/14/76/173081476.db2.gz ZMBGDHSFLFMTPQ-UHFFFAOYSA-N 2 0 212.341 -0.561 10 0 BBAERP C[NH+]1CCN2CCN(CC1)CC[NH+](C)CC2 ZINC000019365734 343561677 /nfs/dbraw/zinc/56/16/77/343561677.db2.gz FFQWAXLMZUGNEC-UHFFFAOYSA-N 2 0 226.368 -0.519 10 0 BBAERP C1C[NH2+]CCN2CCC[NH2+]CCN(C1)CC2 ZINC000019365736 187313792 /nfs/dbraw/zinc/31/37/92/187313792.db2.gz OBBKVQRWBGOVCF-UHFFFAOYSA-N 2 0 226.368 -0.423 10 0 BBAERP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC000019412362 182314534 /nfs/dbraw/zinc/31/45/34/182314534.db2.gz LRSGQJUSOQRSIU-WDEREUQCSA-N 2 0 223.320 -0.051 10 0 BBAERP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC000019412364 182343368 /nfs/dbraw/zinc/34/33/68/182343368.db2.gz LRSGQJUSOQRSIU-QWRGUYRKSA-N 2 0 223.320 -0.051 10 0 BBAERP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCC[NH2+]1 ZINC000019412366 182313914 /nfs/dbraw/zinc/31/39/14/182313914.db2.gz LRSGQJUSOQRSIU-GHMZBOCLSA-N 2 0 223.320 -0.051 10 0 BBAERP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H]1CCC[NH2+]1 ZINC000019412368 182341655 /nfs/dbraw/zinc/34/16/55/182341655.db2.gz LRSGQJUSOQRSIU-MNOVXSKESA-N 2 0 223.320 -0.051 10 0 BBAERP [NH3+]CCCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000019487952 181372873 /nfs/dbraw/zinc/37/28/73/181372873.db2.gz RDZMVOYBLPXPMR-SNVBAGLBSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+]CCCC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000019487954 181372671 /nfs/dbraw/zinc/37/26/71/181372671.db2.gz RDZMVOYBLPXPMR-JTQLQIEISA-N 2 0 211.309 -0.064 10 0 BBAERP C[NH+]1CCN(C2(C[NH3+])CC[NH+](C)CC2)CC1 ZINC000019489267 173076257 /nfs/dbraw/zinc/07/62/57/173076257.db2.gz NSWSJJDEMCQUCX-UHFFFAOYSA-N 3 0 226.368 -0.343 10 0 BBAERP CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000019685433 173079444 /nfs/dbraw/zinc/07/94/44/173079444.db2.gz MLKQVCUEAQBOSH-UHFFFAOYSA-N 2 0 240.351 -0.944 10 0 BBAERP C[NH2+]C[C@@H](O)CN(C)C1CC[NH+](C)CC1 ZINC000019863981 173364897 /nfs/dbraw/zinc/36/48/97/173364897.db2.gz WHKKSMCFTPLRBG-LLVKDONJSA-N 2 0 215.341 -0.407 10 0 BBAERP C[NH2+]C[C@H](O)CN(C)C1CC[NH+](C)CC1 ZINC000019863984 173376258 /nfs/dbraw/zinc/37/62/58/173376258.db2.gz WHKKSMCFTPLRBG-NSHDSACASA-N 2 0 215.341 -0.407 10 0 BBAERP CCC[NH+]1CCN(C[C@@H](O)C[NH2+]C)CC1 ZINC000019864013 169202569 /nfs/dbraw/zinc/20/25/69/169202569.db2.gz BKVFEYNNWSXARE-NSHDSACASA-N 2 0 215.341 -0.406 10 0 BBAERP Cn1cc([C@H](C[NH3+])N2CC[NH+](C)CC2)cn1 ZINC000020075256 173092823 /nfs/dbraw/zinc/09/28/23/173092823.db2.gz PLXGDWUCTRQZGO-NSHDSACASA-N 2 0 223.324 -0.333 10 0 BBAERP Cn1cc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cn1 ZINC000020075258 173094247 /nfs/dbraw/zinc/09/42/47/173094247.db2.gz PLXGDWUCTRQZGO-LLVKDONJSA-N 2 0 223.324 -0.333 10 0 BBAERP C[N@@H+]1CCCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000020217563 173011342 /nfs/dbraw/zinc/01/13/42/173011342.db2.gz IOXCAQMLGOOOFI-UHFFFAOYSA-N 2 0 226.324 -0.351 10 0 BBAERP C[NH2+]C[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000020217570 173364534 /nfs/dbraw/zinc/36/45/34/173364534.db2.gz CVYPDBYMWLJWSF-SNVBAGLBSA-N 2 0 201.314 -0.796 10 0 BBAERP C[NH2+]C[C@H](O)CN1CCC[N@H+](C)CC1 ZINC000020217571 173376556 /nfs/dbraw/zinc/37/65/56/173376556.db2.gz CVYPDBYMWLJWSF-JTQLQIEISA-N 2 0 201.314 -0.796 10 0 BBAERP C[N@@H+]1CCCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC000020217602 173013319 /nfs/dbraw/zinc/01/33/19/173013319.db2.gz UPTIBBGJZPRTSI-UHFFFAOYSA-N 2 0 240.351 -0.944 10 0 BBAERP C[N@@H+]1CCCN([C@@H](C[NH3+])[C@@H]2CCOC2)CC1 ZINC000020217700 173017402 /nfs/dbraw/zinc/01/74/02/173017402.db2.gz LWNGPFHTMLRFMC-NEPJUHHUSA-N 2 0 227.352 -0.012 10 0 BBAERP CC(C)(C[NH3+])N1CC[NH+](CCO)CC1 ZINC000020226811 188005254 /nfs/dbraw/zinc/00/52/54/188005254.db2.gz PSZLHMYNTIIKKN-UHFFFAOYSA-N 2 0 201.314 -0.666 10 0 BBAERP C[C@@H](C(=O)NCCC[NH+](C)C)N1CC[NH2+]CC1 ZINC000020269914 175613513 /nfs/dbraw/zinc/61/35/13/175613513.db2.gz AGAJLKLZQBTEFH-NSHDSACASA-N 2 0 242.367 -0.652 10 0 BBAERP C[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000020270230 173083787 /nfs/dbraw/zinc/08/37/87/173083787.db2.gz OLEPFFNHBIVUAI-UHFFFAOYSA-N 2 0 212.341 -0.861 10 0 BBAERP [NH3+]CCNCC[NH2+]CCNCc1ccccc1 ZINC000022035153 181398021 /nfs/dbraw/zinc/39/80/21/181398021.db2.gz XXOQMYGARAONKF-UHFFFAOYSA-N 2 0 236.363 -0.086 10 0 BBAERP CCC[NH+]1CCN(C[C@@H](O)C[NH3+])CC1 ZINC000022175417 169202587 /nfs/dbraw/zinc/20/25/87/169202587.db2.gz WYVLKUMVKUJOTJ-JTQLQIEISA-N 2 0 201.314 -0.666 10 0 BBAERP C[NH+]1CCN([C@@H](C[NH3+])[C@@H]2CCOC2)CC1 ZINC000022210778 173091595 /nfs/dbraw/zinc/09/15/95/173091595.db2.gz ABTIMJMCRWXQRX-MNOVXSKESA-N 2 0 213.325 -0.402 10 0 BBAERP C[NH+]1CCN([C@H](C[NH3+])[C@@H]2CCOC2)CC1 ZINC000022210781 173095842 /nfs/dbraw/zinc/09/58/42/173095842.db2.gz ABTIMJMCRWXQRX-GHMZBOCLSA-N 2 0 213.325 -0.402 10 0 BBAERP C[NH+]1CCN([C@@H](C[NH3+])[C@H]2CCOC2)CC1 ZINC000022210784 173093566 /nfs/dbraw/zinc/09/35/66/173093566.db2.gz ABTIMJMCRWXQRX-QWRGUYRKSA-N 2 0 213.325 -0.402 10 0 BBAERP C[NH+]1CCN([C@H](C[NH3+])[C@H]2CCOC2)CC1 ZINC000022210786 173094635 /nfs/dbraw/zinc/09/46/35/173094635.db2.gz ABTIMJMCRWXQRX-WDEREUQCSA-N 2 0 213.325 -0.402 10 0 BBAERP [NH3+]CCNCC[NH2+]CCc1ccncc1 ZINC000022798705 181396919 /nfs/dbraw/zinc/39/69/19/181396919.db2.gz UQUNWDVDNGHRJO-UHFFFAOYSA-N 2 0 208.309 -0.238 10 0 BBAERP CN1CC[NH+](CCCN2CC[NH+](C)CC2)CC1 ZINC000022873457 173080521 /nfs/dbraw/zinc/08/05/21/173080521.db2.gz ACSBRIVFKZTIIB-UHFFFAOYSA-N 2 0 240.395 -0.129 10 0 BBAERP C[NH2+]CCN1CCN(CC[NH2+]C)CC1 ZINC000022938109 173354705 /nfs/dbraw/zinc/35/47/05/173354705.db2.gz MJLJCXIJHSVEOY-UHFFFAOYSA-N 2 0 200.330 -0.957 10 0 BBAERP [NH3+]CCCN1CCC[N@H+](CCC[NH3+])CC1 ZINC000022938127 181381498 /nfs/dbraw/zinc/38/14/98/181381498.db2.gz XYUCARGKJNKODR-UHFFFAOYSA-N 3 0 214.357 -0.308 10 0 BBAERP O[C@H](CN1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000026476070 183176238 /nfs/dbraw/zinc/17/62/38/183176238.db2.gz KTMLUOWSSZKDJD-LBPRGKRZSA-N 2 0 227.352 -0.262 10 0 BBAERP O[C@@H](CN1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000026476076 183219827 /nfs/dbraw/zinc/21/98/27/183219827.db2.gz KTMLUOWSSZKDJD-GFCCVEGCSA-N 2 0 227.352 -0.262 10 0 BBAERP [NH3+]CCC[C@@H]1C[NH2+]CCN1CCC[NH3+] ZINC000027325426 181386103 /nfs/dbraw/zinc/38/61/03/181386103.db2.gz MONKMMOKPDOZIP-SNVBAGLBSA-N 3 0 200.330 -0.652 10 0 BBAERP [NH3+]CCC[C@H]1C[NH2+]CCN1CCC[NH3+] ZINC000027325432 181385629 /nfs/dbraw/zinc/38/56/29/181385629.db2.gz MONKMMOKPDOZIP-JTQLQIEISA-N 3 0 200.330 -0.652 10 0 BBAERP [NH3+]CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](O)C1 ZINC000027553263 181378725 /nfs/dbraw/zinc/37/87/25/181378725.db2.gz PEJHUYTWYJXSMC-RKDXNWHRSA-N 2 0 215.297 -0.964 10 0 BBAERP [NH3+]CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](O)C1 ZINC000027553265 181378962 /nfs/dbraw/zinc/37/89/62/181378962.db2.gz PEJHUYTWYJXSMC-DTWKUNHWSA-N 2 0 215.297 -0.964 10 0 BBAERP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCSC1 ZINC000027558483 181384291 /nfs/dbraw/zinc/38/42/91/181384291.db2.gz UUHJOLDDPKIPEA-SSDOTTSWSA-N 2 0 203.311 -0.415 10 0 BBAERP [NH3+]CCCC[C@@H]([NH3+])C(=O)N1CCSC1 ZINC000027558485 181378895 /nfs/dbraw/zinc/37/88/95/181378895.db2.gz OIOCYLDAIBUSNI-MRVPVSSYSA-N 2 0 217.338 -0.024 10 0 BBAERP NC(=[NH2+])NCc1ccc(CNC(N)=[NH2+])cc1 ZINC000028862977 181191405 /nfs/dbraw/zinc/19/14/05/181191405.db2.gz HENKJYRQQDRKNH-UHFFFAOYSA-N 2 0 220.280 -0.347 10 0 BBAERP CN1CC[NH2+]CCN(C)CC[NH2+]CC1 ZINC000028962185 188098605 /nfs/dbraw/zinc/09/86/05/188098605.db2.gz HGCGKULAQPSSNY-UHFFFAOYSA-N 2 0 200.330 -0.957 10 0 BBAERP [NH3+]CCCC[NH2+]CCCC[C@@H]([NH3+])C(=O)[O-] ZINC000032839056 181377546 /nfs/dbraw/zinc/37/75/46/181377546.db2.gz PGPFBXMCOQNMJO-SECBINFHSA-N 2 0 217.313 -0.103 10 0 BBAERP C[NH+](C)CCCN(CCC[NH3+])CCC[NH3+] ZINC000033605893 386200794 /nfs/dbraw/zinc/20/07/94/386200794.db2.gz NDYOVCQABQIDNF-UHFFFAOYSA-N 3 0 216.373 -0.062 10 0 BBAERP NC(=[NH2+])NCC[NH+]1CCCOCCC1 ZINC000033877969 181189117 /nfs/dbraw/zinc/18/91/17/181189117.db2.gz CRIAOOSVWYQSRS-UHFFFAOYSA-N 2 0 200.286 -0.418 10 0 BBAERP C1C[NH+]2CCN1CCC[NH2+]CCNCCC2 ZINC000034146527 360455958 /nfs/dbraw/zinc/45/59/58/360455958.db2.gz TWMXRTUIOCTFNL-UHFFFAOYSA-N 2 0 226.368 -0.423 10 0 BBAERP [NH3+]CCNC[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000034254710 181396823 /nfs/dbraw/zinc/39/68/23/181396823.db2.gz DNRSFQUOCFYLKF-JTQLQIEISA-N 2 0 209.293 -0.190 10 0 BBAERP c1cc2nc(c1)C[NH2+]CCNCC[NH2+]CCNC2 ZINC000034395940 183376870 /nfs/dbraw/zinc/37/68/70/183376870.db2.gz UJPWFBPXKOLBJT-UHFFFAOYSA-N 2 0 249.362 -0.546 10 0 BBAERP [NH3+]CCN(CC[NH3+])CC[NH2+]Cc1ccccc1 ZINC000034624168 345836698 /nfs/dbraw/zinc/83/66/98/345836698.db2.gz QXSBUMZBLWYZIC-UHFFFAOYSA-N 3 0 236.363 -0.004 10 0 BBAERP C[NH+]1CCN(c2ccc(N)c(N)[nH+]2)CC1 ZINC000034752854 132312440 /nfs/dbraw/zinc/31/24/40/132312440.db2.gz DZXIKFSMQGJVQR-UHFFFAOYSA-N 2 0 207.281 -0.002 10 0 BBAERP C[C@@H]1COCC[N@@H+]1CCC(=O)N(C)CCC[NH3+] ZINC000035774041 176336081 /nfs/dbraw/zinc/33/60/81/176336081.db2.gz IGITVOBNGGAQRP-LLVKDONJSA-N 2 0 243.351 -0.096 10 0 BBAERP C[C@H]1COCC[N@@H+]1CCC(=O)N(C)CCC[NH3+] ZINC000035774044 177291578 /nfs/dbraw/zinc/29/15/78/177291578.db2.gz IGITVOBNGGAQRP-NSHDSACASA-N 2 0 243.351 -0.096 10 0 BBAERP C[NH+](C)C1CCN(C[C@H](O)C[NH3+])CC1 ZINC000036191741 172407284 /nfs/dbraw/zinc/40/72/84/172407284.db2.gz HFJRVPYIUJBZOJ-SNVBAGLBSA-N 2 0 201.314 -0.668 10 0 BBAERP C[NH+]1CCN(C2(C[NH3+])CCOCC2)CC1 ZINC000036304776 173076045 /nfs/dbraw/zinc/07/60/45/173076045.db2.gz ZINFHIBTFRWGCK-UHFFFAOYSA-N 2 0 213.325 -0.258 10 0 BBAERP CC[NH+]1CCN([C@@H]2COCC[C@H]2[NH3+])CC1 ZINC000036305141 169998400 /nfs/dbraw/zinc/99/84/00/169998400.db2.gz XBDJUEXTFAJUIZ-GHMZBOCLSA-N 2 0 213.325 -0.260 10 0 BBAERP C[N@@H+]1CCCN([C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000036305300 173018045 /nfs/dbraw/zinc/01/80/45/173018045.db2.gz QLJXRKKVXZBUPZ-WDEREUQCSA-N 2 0 213.325 -0.260 10 0 BBAERP CCNC(=O)CN1CCCN(CCC[NH3+])CC1 ZINC000037038111 170058922 /nfs/dbraw/zinc/05/89/22/170058922.db2.gz KBISRZMADLWFRA-UHFFFAOYSA-N 2 0 242.367 -0.521 10 0 BBAERP CNC(=O)[C@H](C)[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038139 173301822 /nfs/dbraw/zinc/30/18/22/173301822.db2.gz DNXKMEQBEBKJAD-NSHDSACASA-N 2 0 242.367 -0.523 10 0 BBAERP CNC(=O)[C@@H](C)[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038140 173294360 /nfs/dbraw/zinc/29/43/60/173294360.db2.gz DNXKMEQBEBKJAD-LLVKDONJSA-N 2 0 242.367 -0.523 10 0 BBAERP NC(=O)N1CC[NH+](CCCC[NH3+])CC1 ZINC000037039342 181376771 /nfs/dbraw/zinc/37/67/71/181376771.db2.gz PDJZMIDISJEVPT-UHFFFAOYSA-N 2 0 200.286 -0.578 10 0 BBAERP NC(=O)N1CCC[N@H+](CCCC[NH3+])CC1 ZINC000037039354 181376314 /nfs/dbraw/zinc/37/63/14/181376314.db2.gz ANVZZNXSCBMTMW-UHFFFAOYSA-N 2 0 214.313 -0.188 10 0 BBAERP CC(C)NC(=O)[C@@H](C)N1CCN(CC[NH3+])CC1 ZINC000037039625 167078980 /nfs/dbraw/zinc/07/89/80/167078980.db2.gz XLUQWDCCNKOIGE-LLVKDONJSA-N 2 0 242.367 -0.524 10 0 BBAERP CN(C)C(=O)C[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000037039715 172365287 /nfs/dbraw/zinc/36/52/87/172365287.db2.gz PWQIDTMPJFAVFY-UHFFFAOYSA-N 2 0 228.340 -0.959 10 0 BBAERP CNC(=O)[C@H](C)[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000037039752 173301750 /nfs/dbraw/zinc/30/17/50/173301750.db2.gz LBFHGVAMRMATNE-JTQLQIEISA-N 2 0 228.340 -0.913 10 0 BBAERP CNC(=O)[C@@H](C)[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000037039753 173294494 /nfs/dbraw/zinc/29/44/94/173294494.db2.gz LBFHGVAMRMATNE-SNVBAGLBSA-N 2 0 228.340 -0.913 10 0 BBAERP CCNC(=O)CN1CC[NH+](CCCC[NH3+])CC1 ZINC000037039848 170059271 /nfs/dbraw/zinc/05/92/71/170059271.db2.gz QLGPJLXINZFXGK-UHFFFAOYSA-N 2 0 242.367 -0.521 10 0 BBAERP CNC(=O)CN1CCC[N@H+](CCCC[NH3+])CC1 ZINC000037039933 173273834 /nfs/dbraw/zinc/27/38/34/173273834.db2.gz BOIGJCSAEUZQNY-UHFFFAOYSA-N 2 0 242.367 -0.521 10 0 BBAERP NC(=O)CCN1CC[NH+](CCCCC[NH3+])CC1 ZINC000037049323 181375429 /nfs/dbraw/zinc/37/54/29/181375429.db2.gz AVGWWVLDGOOOFC-UHFFFAOYSA-N 2 0 242.367 -0.392 10 0 BBAERP [NH3+]CCCCC[NH+]1CCN(CCO)CC1 ZINC000037049362 181375224 /nfs/dbraw/zinc/37/52/24/181375224.db2.gz JYXMOMSCGPDKFN-UHFFFAOYSA-N 2 0 215.341 -0.275 10 0 BBAERP NC(=O)CN1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000037049381 181375179 /nfs/dbraw/zinc/37/51/79/181375179.db2.gz MWXZUKMYXSFEQN-UHFFFAOYSA-N 2 0 242.367 -0.392 10 0 BBAERP C[C@@H]1C[N@H+](CCC(=O)N(C)CCC[NH3+])CCO1 ZINC000037049894 176287119 /nfs/dbraw/zinc/28/71/19/176287119.db2.gz ZDRWSECBKYXKCX-LLVKDONJSA-N 2 0 243.351 -0.096 10 0 BBAERP C[C@H]1C[N@H+](CCC(=O)N(C)CCC[NH3+])CCO1 ZINC000037049895 177246445 /nfs/dbraw/zinc/24/64/45/177246445.db2.gz ZDRWSECBKYXKCX-NSHDSACASA-N 2 0 243.351 -0.096 10 0 BBAERP COC1CC[NH+](CC(=O)N(C)CCC[NH3+])CC1 ZINC000037265733 174028332 /nfs/dbraw/zinc/02/83/32/174028332.db2.gz HHSORIPCCDPWAJ-UHFFFAOYSA-N 2 0 243.351 -0.096 10 0 BBAERP C[N@@H+]1CCCN(CCN2CC[NH2+]CC2)CC1 ZINC000037482557 173013950 /nfs/dbraw/zinc/01/39/50/173013950.db2.gz NSUVRJFJBDMTOH-UHFFFAOYSA-N 2 0 226.368 -0.471 10 0 BBAERP CC[N@@H+]1CC[C@H](CN2C[C@H]([NH3+])CC2=O)C1 ZINC000037484521 170015947 /nfs/dbraw/zinc/01/59/47/170015947.db2.gz LJLDBRWFASDXTD-VHSXEESVSA-N 2 0 211.309 -0.112 10 0 BBAERP CC[N@@H+]1CC[C@@H](CN2C[C@H]([NH3+])CC2=O)C1 ZINC000037484522 170006266 /nfs/dbraw/zinc/00/62/66/170006266.db2.gz LJLDBRWFASDXTD-NXEZZACHSA-N 2 0 211.309 -0.112 10 0 BBAERP CC(C)S(=O)(=O)NC1(C[NH3+])CC[NH+](C)CC1 ZINC000037657168 167319758 /nfs/dbraw/zinc/31/97/58/167319758.db2.gz IFKOALHZINEAEQ-UHFFFAOYSA-N 2 0 249.380 -0.263 10 0 BBAERP [NH3+]CCC[NH2+]C1CCS(=O)(=O)CC1 ZINC000037713621 181382279 /nfs/dbraw/zinc/38/22/79/181382279.db2.gz SKYUQRHQRXXTDG-UHFFFAOYSA-N 2 0 206.311 -0.498 10 0 BBAERP NC(=O)N1CCC([NH2+]CCC[NH3+])CC1 ZINC000037713823 181382351 /nfs/dbraw/zinc/38/23/51/181382351.db2.gz SQGIRSJZLBIEOK-UHFFFAOYSA-N 2 0 200.286 -0.532 10 0 BBAERP COCCC[NH+]1CCN(CC[NH3+])CC1 ZINC000037753580 174230711 /nfs/dbraw/zinc/23/07/11/174230711.db2.gz KWJMMNYIEQLUBE-UHFFFAOYSA-N 2 0 201.314 -0.401 10 0 BBAERP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000037758665 173140375 /nfs/dbraw/zinc/14/03/75/173140375.db2.gz SQEWSTWWYBLSBM-VIFPVBQESA-N 2 0 211.309 -0.112 10 0 BBAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000037758666 173109731 /nfs/dbraw/zinc/10/97/31/173109731.db2.gz SQEWSTWWYBLSBM-SECBINFHSA-N 2 0 211.309 -0.112 10 0 BBAERP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000037758719 173141247 /nfs/dbraw/zinc/14/12/47/173141247.db2.gz BSIRSEOZBLJWTR-VIFPVBQESA-N 2 0 211.309 -0.194 10 0 BBAERP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000037758720 173110909 /nfs/dbraw/zinc/11/09/09/173110909.db2.gz BSIRSEOZBLJWTR-SECBINFHSA-N 2 0 211.309 -0.194 10 0 BBAERP Cn1nccc1C[NH2+]CCN1CC[NH+](C)CC1 ZINC000037759905 173082594 /nfs/dbraw/zinc/08/25/94/173082594.db2.gz NYAZELFWHWZXSV-UHFFFAOYSA-N 2 0 237.351 -0.243 10 0 BBAERP C[NH2+]CCCC(=O)NCCN1CC[NH+](C)CC1 ZINC000037760074 173343717 /nfs/dbraw/zinc/34/37/17/173343717.db2.gz CUIUTFAMGOQMKE-UHFFFAOYSA-N 2 0 242.367 -0.650 10 0 BBAERP [NH3+]CC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000037822907 181348509 /nfs/dbraw/zinc/34/85/09/181348509.db2.gz WAAPINPAEHQKBV-LLVKDONJSA-N 2 0 241.335 -0.342 10 0 BBAERP [NH3+]CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000037822908 181347548 /nfs/dbraw/zinc/34/75/48/181347548.db2.gz WAAPINPAEHQKBV-NSHDSACASA-N 2 0 241.335 -0.342 10 0 BBAERP C[C@H]([NH3+])C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000037824916 176747018 /nfs/dbraw/zinc/74/70/18/176747018.db2.gz NUJHFPLSTJUEKG-VIFPVBQESA-N 2 0 229.324 -0.751 10 0 BBAERP C[C@@H]([NH3+])C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000037824917 175794874 /nfs/dbraw/zinc/79/48/74/175794874.db2.gz NUJHFPLSTJUEKG-SECBINFHSA-N 2 0 229.324 -0.751 10 0 BBAERP CC[C@@H]([NH3+])C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000037824937 170861245 /nfs/dbraw/zinc/86/12/45/170861245.db2.gz YBDLHMLPLPPIRI-LLVKDONJSA-N 2 0 243.351 -0.361 10 0 BBAERP CC(C)(CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037888246 712780907 /nfs/dbraw/zinc/78/09/07/712780907.db2.gz GPSISJGEFFTDIJ-JTQLQIEISA-N 2 0 216.325 -0.196 10 0 BBAERP CC(C)(CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037888247 712780809 /nfs/dbraw/zinc/78/08/09/712780809.db2.gz GPSISJGEFFTDIJ-SNVBAGLBSA-N 2 0 216.325 -0.196 10 0 BBAERP C[N@@H+]1CC[C@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000037894284 173147777 /nfs/dbraw/zinc/14/77/77/173147777.db2.gz OKMXLHDAUWQZIJ-OLZOCXBDSA-N 2 0 241.379 -0.016 10 0 BBAERP C[N@@H+]1CC[C@@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000037894285 173115684 /nfs/dbraw/zinc/11/56/84/173115684.db2.gz OKMXLHDAUWQZIJ-STQMWFEESA-N 2 0 241.379 -0.016 10 0 BBAERP CN(C)C(=O)CC[NH+]1CCN(CCC[NH3+])CC1 ZINC000037897739 172357845 /nfs/dbraw/zinc/35/78/45/172357845.db2.gz YEKFDPAUYUJYGQ-UHFFFAOYSA-N 2 0 242.367 -0.569 10 0 BBAERP CN(C)C(=O)CC[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000037897742 172357414 /nfs/dbraw/zinc/35/74/14/172357414.db2.gz NROUHGFJNWDFEG-UHFFFAOYSA-N 2 0 242.367 -0.569 10 0 BBAERP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000037910919 176108717 /nfs/dbraw/zinc/10/87/17/176108717.db2.gz CMRTVGWIBGNZIX-SNVBAGLBSA-N 2 0 211.309 -0.098 10 0 BBAERP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000037910920 177109726 /nfs/dbraw/zinc/10/97/26/177109726.db2.gz CMRTVGWIBGNZIX-JTQLQIEISA-N 2 0 211.309 -0.098 10 0 BBAERP CC[NH+]1CCC(C(N)=O)(N2CC[NH2+]CC2)CC1 ZINC000037945714 642434584 /nfs/dbraw/zinc/43/45/84/642434584.db2.gz IDDDDSQZFWFPOZ-UHFFFAOYSA-N 2 0 240.351 -0.769 10 0 BBAERP COC(=O)C1(N2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC000037963749 173510892 /nfs/dbraw/zinc/51/08/92/173510892.db2.gz DKLZMEHYFUHPMZ-UHFFFAOYSA-N 2 0 241.335 -0.471 10 0 BBAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000037996398 173140475 /nfs/dbraw/zinc/14/04/75/173140475.db2.gz CCVASTWCIYYFMB-JTQLQIEISA-N 2 0 211.309 -0.240 10 0 BBAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000037996399 173110440 /nfs/dbraw/zinc/11/04/40/173110440.db2.gz CCVASTWCIYYFMB-SNVBAGLBSA-N 2 0 211.309 -0.240 10 0 BBAERP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)C[NH3+])C2 ZINC000038019342 173207146 /nfs/dbraw/zinc/20/71/46/173207146.db2.gz UQAPMMIRQVUUDN-PBINXNQUSA-N 2 0 211.309 -0.066 10 0 BBAERP C[NH+]1CCN(CCC[NH2+]C2CC[NH2+]CC2)CC1 ZINC000038040676 173080705 /nfs/dbraw/zinc/08/07/05/173080705.db2.gz MNRKFMTWCUILRK-UHFFFAOYSA-N 3 0 240.395 -0.035 10 0 BBAERP NC(=O)CN1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000038041385 181231532 /nfs/dbraw/zinc/23/15/32/181231532.db2.gz YSOCSBSEJJEOMP-UHFFFAOYSA-N 2 0 240.351 -0.722 10 0 BBAERP C[NH+]1CCN(CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC000038041479 173082008 /nfs/dbraw/zinc/08/20/08/173082008.db2.gz DBSFWBXHVNRBQW-UHFFFAOYSA-N 3 0 226.368 -0.425 10 0 BBAERP O=C(NCCO)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043024 182191981 /nfs/dbraw/zinc/19/19/81/182191981.db2.gz CJKRGGKMMFCTOG-NSHDSACASA-N 2 0 241.335 -0.689 10 0 BBAERP C([NH2+]C1CC[NH2+]CC1)[C@@H]1COCCO1 ZINC000038061182 386119030 /nfs/dbraw/zinc/11/90/30/386119030.db2.gz ITIQBBYACBVSMV-SNVBAGLBSA-N 2 0 200.282 -0.257 10 0 BBAERP C([NH2+]C1CC[NH2+]CC1)[C@H]1COCCO1 ZINC000038061183 386118074 /nfs/dbraw/zinc/11/80/74/386118074.db2.gz ITIQBBYACBVSMV-JTQLQIEISA-N 2 0 200.282 -0.257 10 0 BBAERP [NH3+]C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000038062667 181344924 /nfs/dbraw/zinc/34/49/24/181344924.db2.gz MJNIHPAJVYJVEF-SNVBAGLBSA-N 2 0 200.282 -0.175 10 0 BBAERP [NH3+]C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000038062668 181344768 /nfs/dbraw/zinc/34/47/68/181344768.db2.gz MJNIHPAJVYJVEF-JTQLQIEISA-N 2 0 200.282 -0.175 10 0 BBAERP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000038062685 386117866 /nfs/dbraw/zinc/11/78/66/386117866.db2.gz HVZNRJHDFVDWIA-VHSXEESVSA-N 2 0 200.282 -0.318 10 0 BBAERP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000038062686 386118590 /nfs/dbraw/zinc/11/85/90/386118590.db2.gz HVZNRJHDFVDWIA-NXEZZACHSA-N 2 0 200.282 -0.318 10 0 BBAERP OC[C@H]([C@@H]1CCOC1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117392 183144785 /nfs/dbraw/zinc/14/47/85/183144785.db2.gz MJGUCBOLCCMLLX-GHMZBOCLSA-N 2 0 214.309 -0.321 10 0 BBAERP OCC1([N@@H+]2CCC[NH2+]CC2)CCOCC1 ZINC000038117501 183037008 /nfs/dbraw/zinc/03/70/08/183037008.db2.gz XHVVXEVOZLJRTM-UHFFFAOYSA-N 2 0 214.309 -0.177 10 0 BBAERP CC[NH+](CC)CCCNC(=[NH2+])NC(N)=[NH2+] ZINC000038647492 343377798 /nfs/dbraw/zinc/37/77/98/343377798.db2.gz SARCHYUZLAKKFI-UHFFFAOYSA-N 3 0 214.317 -0.274 10 0 BBAERP C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCNC(N)=[NH2+] ZINC000039109062 173188588 /nfs/dbraw/zinc/18/85/88/173188588.db2.gz CDQIQHBYYDSRLB-DTORHVGOSA-N 2 0 211.313 -0.752 10 0 BBAERP C[NH+](C)C[C@@H]1CO[C@@](C)(C[NH+](C)C)[C@@H]1O ZINC000039109805 386146828 /nfs/dbraw/zinc/14/68/28/386146828.db2.gz QPPJWHSBSSEEGG-MXWKQRLJSA-N 2 0 216.325 -0.124 10 0 BBAERP C[NH+](C)C[C@@H]1CO[C@](C)(C[NH+](C)C)[C@@H]1O ZINC000039109806 386146904 /nfs/dbraw/zinc/14/69/04/386146904.db2.gz QPPJWHSBSSEEGG-GMTAPVOTSA-N 2 0 216.325 -0.124 10 0 BBAERP C[NH+](C)C[C@@H]1CO[C@@](C)(C[NH+](C)C)[C@H]1O ZINC000039109807 386146356 /nfs/dbraw/zinc/14/63/56/386146356.db2.gz QPPJWHSBSSEEGG-VWYCJHECSA-N 2 0 216.325 -0.124 10 0 BBAERP C[NH+](C)C[C@@H]1CO[C@](C)(C[NH+](C)C)[C@H]1O ZINC000039109808 386146786 /nfs/dbraw/zinc/14/67/86/386146786.db2.gz QPPJWHSBSSEEGG-OUAUKWLOSA-N 2 0 216.325 -0.124 10 0 BBAERP C(CN1CC[NH2+]CC1)CN1CC[NH2+]CC1 ZINC000039191248 187255550 /nfs/dbraw/zinc/25/55/50/187255550.db2.gz DOJHEVQGYQYOSP-UHFFFAOYSA-N 2 0 212.341 -0.813 10 0 BBAERP COCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508479 174306340 /nfs/dbraw/zinc/30/63/40/174306340.db2.gz ZUPUDGSRTOWBJR-LLVKDONJSA-N 2 0 241.335 -0.471 10 0 BBAERP COCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508480 174308639 /nfs/dbraw/zinc/30/86/39/174308639.db2.gz ZUPUDGSRTOWBJR-NSHDSACASA-N 2 0 241.335 -0.471 10 0 BBAERP CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040629643 358244023 /nfs/dbraw/zinc/24/40/23/358244023.db2.gz NFUJCLKNPKBGSS-GHMZBOCLSA-N 2 0 243.351 -0.179 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000040630703 358244074 /nfs/dbraw/zinc/24/40/74/358244074.db2.gz BJNNNRUJACHFSI-NXEZZACHSA-N 2 0 229.324 -0.569 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000040631846 410883405 /nfs/dbraw/zinc/88/34/05/410883405.db2.gz SBDYJGZMYMQDCE-GHMZBOCLSA-N 2 0 241.335 -0.425 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000040631931 410884046 /nfs/dbraw/zinc/88/40/46/410884046.db2.gz BGOKSZBXLFEVGK-NXEZZACHSA-N 2 0 227.308 -0.815 10 0 BBAERP CO[C@@H]1C[NH2+][C@H](CN2CC[NH+](C)CC2)C1 ZINC000040637296 538972107 /nfs/dbraw/zinc/97/21/07/538972107.db2.gz ACYIMIKEUSLKQW-QWRGUYRKSA-N 2 0 213.325 -0.389 10 0 BBAERP NC(=O)C1(NC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000040695193 181215509 /nfs/dbraw/zinc/21/55/09/181215509.db2.gz MBQLHRVTDCMXDG-SECBINFHSA-N 2 0 227.308 -0.638 10 0 BBAERP COC(=O)C1(N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000040695398 173511695 /nfs/dbraw/zinc/51/16/95/173511695.db2.gz FJLTYWIXTXZAHI-UHFFFAOYSA-N 2 0 227.308 -0.813 10 0 BBAERP OCC1([NH2+]C[C@H]2CCCO2)CC[NH2+]CC1 ZINC000040695506 183038396 /nfs/dbraw/zinc/03/83/96/183038396.db2.gz NJCUCKPLCCKTTR-SNVBAGLBSA-N 2 0 214.309 -0.131 10 0 BBAERP OCC1([NH2+]C[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000040695508 183038251 /nfs/dbraw/zinc/03/82/51/183038251.db2.gz NJCUCKPLCCKTTR-JTQLQIEISA-N 2 0 214.309 -0.131 10 0 BBAERP OCC1(N2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000040695520 183037212 /nfs/dbraw/zinc/03/72/12/183037212.db2.gz VCGZFFYSGFAPST-UHFFFAOYSA-N 2 0 213.325 -0.604 10 0 BBAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC000040749947 181344649 /nfs/dbraw/zinc/34/46/49/181344649.db2.gz SYUAAPIHEPRVMY-FGWVZKOKSA-N 2 0 238.335 -0.034 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000040807331 384595648 /nfs/dbraw/zinc/59/56/48/384595648.db2.gz LPRAXCTVSRGULQ-NXEZZACHSA-N 2 0 243.351 -0.180 10 0 BBAERP C[NH+]1CCN(C(C)(C)CNC(=O)C[NH3+])CC1 ZINC000040830970 173073223 /nfs/dbraw/zinc/07/32/23/173073223.db2.gz LHDJVAXDBTVBHI-UHFFFAOYSA-N 2 0 228.340 -0.913 10 0 BBAERP CC(C)([NH3+])C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000040920245 187290779 /nfs/dbraw/zinc/29/07/79/187290779.db2.gz WPLDWXSGTOJPHC-SECBINFHSA-N 2 0 211.309 -0.066 10 0 BBAERP CC(C)([NH3+])C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000040920248 187290357 /nfs/dbraw/zinc/29/03/57/187290357.db2.gz WPLDWXSGTOJPHC-VIFPVBQESA-N 2 0 211.309 -0.066 10 0 BBAERP C[NH+]1CCN(CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000040922718 173081652 /nfs/dbraw/zinc/08/16/52/173081652.db2.gz URXRWNPSHATTDU-UHFFFAOYSA-N 2 0 228.340 -0.913 10 0 BBAERP [NH3+]CC(=O)NC[C@H]([NH3+])Cc1ccccc1 ZINC000040979146 181353526 /nfs/dbraw/zinc/35/35/26/181353526.db2.gz OTXIXYSFGHUGEN-SNVBAGLBSA-N 2 0 207.277 -0.369 10 0 BBAERP [NH3+]CCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000041045973 181392143 /nfs/dbraw/zinc/39/21/43/181392143.db2.gz WIDZSUADWCCLHQ-NSHDSACASA-N 2 0 213.325 -0.401 10 0 BBAERP [NH3+]CCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000041045974 181391975 /nfs/dbraw/zinc/39/19/75/181391975.db2.gz WIDZSUADWCCLHQ-LLVKDONJSA-N 2 0 213.325 -0.401 10 0 BBAERP [NH3+]CCN1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000041045975 181392265 /nfs/dbraw/zinc/39/22/65/181392265.db2.gz BHTVVZBNUOYLDE-LBPRGKRZSA-N 2 0 227.352 -0.011 10 0 BBAERP COCC[NH2+]CCN1CC[NH+](C)CC1 ZINC000041210909 174331945 /nfs/dbraw/zinc/33/19/45/174331945.db2.gz VEZCYLISHLJSOQ-UHFFFAOYSA-N 2 0 201.314 -0.530 10 0 BBAERP COCCC[NH2+]CCN1CC[NH+](C)CC1 ZINC000041228643 174247154 /nfs/dbraw/zinc/24/71/54/174247154.db2.gz OOZGQFLLMQYBMT-UHFFFAOYSA-N 2 0 215.341 -0.140 10 0 BBAERP COCC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000041228647 174332688 /nfs/dbraw/zinc/33/26/88/174332688.db2.gz FRVRJLUWWQEHLB-UHFFFAOYSA-N 2 0 215.341 -0.140 10 0 BBAERP C(CN1CCOCC1)[NH2+]CC1CC[NH2+]CC1 ZINC000041248799 188118833 /nfs/dbraw/zinc/11/88/33/188118833.db2.gz DPYMAZVIVUWAHA-UHFFFAOYSA-N 2 0 227.352 -0.092 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000041679595 358334120 /nfs/dbraw/zinc/33/41/20/358334120.db2.gz MRWFAGPITVCTDQ-GHMZBOCLSA-N 2 0 243.351 -0.179 10 0 BBAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000041680299 358333947 /nfs/dbraw/zinc/33/39/47/358333947.db2.gz LCUJBYDLEBADQZ-GHMZBOCLSA-N 2 0 243.351 -0.491 10 0 BBAERP C(Cc1nn[nH]n1)CN1CCC[NH2+]CC1 ZINC000042191846 188323587 /nfs/dbraw/zinc/32/35/87/188323587.db2.gz DNIWUBACPUQGDJ-UHFFFAOYSA-N 2 0 210.285 -0.572 10 0 BBAERP COCCC[N@H+](CCOC)CC(=O)NCC[NH3+] ZINC000042408749 174223396 /nfs/dbraw/zinc/22/33/96/174223396.db2.gz RWXBMOIRMJOCJM-UHFFFAOYSA-N 2 0 247.339 -0.954 10 0 BBAERP CC(C)(C)[NH+]1CCN(C[C@H](O)C[NH3+])CC1 ZINC000042461831 166609924 /nfs/dbraw/zinc/60/99/24/166609924.db2.gz URJSFJHZBZOQBK-SNVBAGLBSA-N 2 0 215.341 -0.278 10 0 BBAERP [NH3+]CCNC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000042500441 181393334 /nfs/dbraw/zinc/39/33/34/181393334.db2.gz MMMDSXOYAORKOE-UHFFFAOYSA-N 2 0 243.351 -0.312 10 0 BBAERP O[C@@H](C[NH2+]CCn1cccn1)C[NH+]1CCCC1 ZINC000042540693 183179559 /nfs/dbraw/zinc/17/95/59/183179559.db2.gz VSDYAFZVCSBNHK-LBPRGKRZSA-N 2 0 238.335 -0.071 10 0 BBAERP O[C@H](C[NH2+]CCn1cccn1)C[NH+]1CCCC1 ZINC000042540695 183224363 /nfs/dbraw/zinc/22/43/63/183224363.db2.gz VSDYAFZVCSBNHK-GFCCVEGCSA-N 2 0 238.335 -0.071 10 0 BBAERP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042548950 173150359 /nfs/dbraw/zinc/15/03/59/173150359.db2.gz QFEURMQALJEFOD-UWVGGRQHSA-N 2 0 211.309 -0.051 10 0 BBAERP C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042548953 173121130 /nfs/dbraw/zinc/12/11/30/173121130.db2.gz QFEURMQALJEFOD-VHSXEESVSA-N 2 0 211.309 -0.051 10 0 BBAERP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000042548979 173150605 /nfs/dbraw/zinc/15/06/05/173150605.db2.gz GIJFIKDREQYYMX-JTQLQIEISA-N 2 0 211.309 -0.194 10 0 BBAERP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000042548982 173122529 /nfs/dbraw/zinc/12/25/29/173122529.db2.gz GIJFIKDREQYYMX-SNVBAGLBSA-N 2 0 211.309 -0.194 10 0 BBAERP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000042548988 173122610 /nfs/dbraw/zinc/12/26/10/173122610.db2.gz DOJNDKYOUBPKNG-NXEZZACHSA-N 2 0 211.309 -0.194 10 0 BBAERP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000042548994 173121159 /nfs/dbraw/zinc/12/11/59/173121159.db2.gz WRHALBQIRQQXCE-ZJUUUORDSA-N 2 0 211.309 -0.051 10 0 BBAERP C[N@@H+]1CC[C@@H](NC(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000042549228 173121720 /nfs/dbraw/zinc/12/17/20/173121720.db2.gz MSVHFMRWXLCXMN-KOLCDFICSA-N 2 0 211.309 -0.066 10 0 BBAERP COCC[N@H+](CC(=O)NCC[NH3+])[C@@H](C)C1CC1 ZINC000042614457 174284520 /nfs/dbraw/zinc/28/45/20/174284520.db2.gz HFWQUARAUPNWAG-JTQLQIEISA-N 2 0 243.351 -0.192 10 0 BBAERP COCC[N@H+](CC(=O)NCC[NH3+])[C@H](C)C1CC1 ZINC000042614459 174284976 /nfs/dbraw/zinc/28/49/76/174284976.db2.gz HFWQUARAUPNWAG-SNVBAGLBSA-N 2 0 243.351 -0.192 10 0 BBAERP C(N[C@H]1CCC[NH2+]C1)[C@@H]1COCCO1 ZINC000043327390 343051189 /nfs/dbraw/zinc/05/11/89/343051189.db2.gz ZTFKWIUOVQTUFE-VHSXEESVSA-N 2 0 200.282 -0.257 10 0 BBAERP C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COCCO1 ZINC000043327391 343051358 /nfs/dbraw/zinc/05/13/58/343051358.db2.gz ZTFKWIUOVQTUFE-NXEZZACHSA-N 2 0 200.282 -0.257 10 0 BBAERP CN(C)C(=O)CCC[NH+]1CCN(CC[NH3+])CC1 ZINC000043448115 172356369 /nfs/dbraw/zinc/35/63/69/172356369.db2.gz WEDBKQUOCHRSFT-UHFFFAOYSA-N 2 0 242.367 -0.569 10 0 BBAERP NC(=O)[C@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000043493508 181282562 /nfs/dbraw/zinc/28/25/62/181282562.db2.gz MSPMXZCDUYNLJE-NXEZZACHSA-N 2 0 211.309 -0.064 10 0 BBAERP NC(=O)[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497626 181281876 /nfs/dbraw/zinc/28/18/76/181281876.db2.gz BVIABCLEMNCLAO-SNVBAGLBSA-N 2 0 211.309 -0.064 10 0 BBAERP NC(=O)[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000043497629 181269043 /nfs/dbraw/zinc/26/90/43/181269043.db2.gz BVIABCLEMNCLAO-JTQLQIEISA-N 2 0 211.309 -0.064 10 0 BBAERP C[N@@H+]1CCCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802037 173014075 /nfs/dbraw/zinc/01/40/75/173014075.db2.gz JPWVCGJSHTWBIE-NSHDSACASA-N 2 0 213.325 -0.388 10 0 BBAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000044372494 176167661 /nfs/dbraw/zinc/16/76/61/176167661.db2.gz WPDGMWWDZWEYDI-SNVBAGLBSA-N 2 0 211.309 -0.240 10 0 BBAERP C[C@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000044372499 177157084 /nfs/dbraw/zinc/15/70/84/177157084.db2.gz WPDGMWWDZWEYDI-JTQLQIEISA-N 2 0 211.309 -0.240 10 0 BBAERP [NH3+][C@H](CO)Cc1cccc(C[C@H]([NH3+])CO)c1 ZINC000044463728 368376092 /nfs/dbraw/zinc/37/60/92/368376092.db2.gz PZIOJGMYUGUYPA-RYUDHWBXSA-N 2 0 224.304 -0.589 10 0 BBAERP [NH3+][C@@H](CO)Cc1cccc(C[C@H]([NH3+])CO)c1 ZINC000044463729 368376482 /nfs/dbraw/zinc/37/64/82/368376482.db2.gz PZIOJGMYUGUYPA-TXEJJXNPSA-N 2 0 224.304 -0.589 10 0 BBAERP [NH3+][C@@H](CO)Cc1cccc(C[C@@H]([NH3+])CO)c1 ZINC000044463730 368377530 /nfs/dbraw/zinc/37/75/30/368377530.db2.gz PZIOJGMYUGUYPA-VXGBXAGGSA-N 2 0 224.304 -0.589 10 0 BBAERP [NH3+]CC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000044513440 181364757 /nfs/dbraw/zinc/36/47/57/181364757.db2.gz XZGYERAPJQFECS-UHFFFAOYSA-N 2 0 211.309 -0.111 10 0 BBAERP [NH3+]CC1CC[NH+](C[C@@H]2CNC(=O)O2)CC1 ZINC000044514316 181365262 /nfs/dbraw/zinc/36/52/62/181365262.db2.gz CKSRGTUCXIAMFQ-VIFPVBQESA-N 2 0 213.281 -0.235 10 0 BBAERP [NH3+]CC1CC[NH+](C[C@H]2CNC(=O)O2)CC1 ZINC000044514318 181365506 /nfs/dbraw/zinc/36/55/06/181365506.db2.gz CKSRGTUCXIAMFQ-SECBINFHSA-N 2 0 213.281 -0.235 10 0 BBAERP CC[NH2+]CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000044650273 170109820 /nfs/dbraw/zinc/10/98/20/170109820.db2.gz HVWAPPZQIZGIHK-SNVBAGLBSA-N 2 0 211.309 -0.098 10 0 BBAERP CC[NH2+]CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000044650274 170109872 /nfs/dbraw/zinc/10/98/72/170109872.db2.gz HVWAPPZQIZGIHK-JTQLQIEISA-N 2 0 211.309 -0.098 10 0 BBAERP C[C@@H](C[NH3+])C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000044794355 175706188 /nfs/dbraw/zinc/70/61/88/175706188.db2.gz DWBJXAZOVHQUHQ-WPRPVWTQSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)[NH+](C)C ZINC000045108011 640501397 /nfs/dbraw/zinc/50/13/97/640501397.db2.gz KCPKIMVVUOHBFD-JTQLQIEISA-N 2 0 243.351 -0.192 10 0 BBAERP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)[NH+](C)C ZINC000045108012 640501679 /nfs/dbraw/zinc/50/16/79/640501679.db2.gz KCPKIMVVUOHBFD-SNVBAGLBSA-N 2 0 243.351 -0.192 10 0 BBAERP [NH3+]CC1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000045626702 181365199 /nfs/dbraw/zinc/36/51/99/181365199.db2.gz KZSDBDIINZSKNC-QMMMGPOBSA-N 2 0 211.265 -0.928 10 0 BBAERP CC(C)[N@@H+]1CC[C@@](CO)(N2CC[NH2+]CC2)C1 ZINC000045660317 187269791 /nfs/dbraw/zinc/26/97/91/187269791.db2.gz PLKINDOKJQEORW-GFCCVEGCSA-N 2 0 227.352 -0.263 10 0 BBAERP CC(C)[N@@H+]1CC[C@](CO)(N2CC[NH2+]CC2)C1 ZINC000045660320 167027368 /nfs/dbraw/zinc/02/73/68/167027368.db2.gz PLKINDOKJQEORW-LBPRGKRZSA-N 2 0 227.352 -0.263 10 0 BBAERP C[C@@H]1CCC[N@H+](C[C@H](O)CN2CC[NH2+]CC2)C1 ZINC000045919733 176099944 /nfs/dbraw/zinc/09/99/44/176099944.db2.gz UNESPBDLVCUJDC-CHWSQXEVSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@H]1CCC[N@H+](C[C@H](O)CN2CC[NH2+]CC2)C1 ZINC000045919735 177099930 /nfs/dbraw/zinc/09/99/30/177099930.db2.gz UNESPBDLVCUJDC-QWHCGFSZSA-N 2 0 241.379 -0.016 10 0 BBAERP CC1CC[NH+](C[C@H](O)CN2CC[NH2+]CC2)CC1 ZINC000045919737 168183206 /nfs/dbraw/zinc/18/32/06/168183206.db2.gz WSUHIVIIHMHLEK-ZDUSSCGKSA-N 2 0 241.379 -0.016 10 0 BBAERP CC1CC[NH+](C[C@@H](O)CN2CC[NH2+]CC2)CC1 ZINC000045919739 168183244 /nfs/dbraw/zinc/18/32/44/168183244.db2.gz WSUHIVIIHMHLEK-CYBMUJFWSA-N 2 0 241.379 -0.016 10 0 BBAERP COCC(=O)N1CC[NH+](CCCC[NH3+])CC1 ZINC000048631424 174042647 /nfs/dbraw/zinc/04/26/47/174042647.db2.gz WFFLGTWLWXSAKO-UHFFFAOYSA-N 2 0 229.324 -0.484 10 0 BBAERP COCC(=O)N1CC[NH+](CCCCC[NH3+])CC1 ZINC000048631430 174043182 /nfs/dbraw/zinc/04/31/82/174043182.db2.gz WZCXFNBOWIMEGD-UHFFFAOYSA-N 2 0 243.351 -0.094 10 0 BBAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000049221061 188299027 /nfs/dbraw/zinc/29/90/27/188299027.db2.gz ULHYYZWEVJCKOL-DCAQKATOSA-N 2 0 243.351 -0.588 10 0 BBAERP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000049221068 188124601 /nfs/dbraw/zinc/12/46/01/188124601.db2.gz ULHYYZWEVJCKOL-AXFHLTTASA-N 2 0 243.351 -0.588 10 0 BBAERP [NH3+]CCCN1CC[NH+](CCn2cccn2)CC1 ZINC000049313885 181381087 /nfs/dbraw/zinc/38/10/87/181381087.db2.gz YWVNMFBSSAZKGH-UHFFFAOYSA-N 2 0 237.351 -0.151 10 0 BBAERP C[NH+]1CCN(CCC[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000049474427 173078452 /nfs/dbraw/zinc/07/84/52/173078452.db2.gz FNRJMLWBTBARPG-ZDUSSCGKSA-N 2 0 241.379 -0.062 10 0 BBAERP C[NH+]1CCN(CCC[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000049474428 173078629 /nfs/dbraw/zinc/07/86/29/173078629.db2.gz FNRJMLWBTBARPG-CYBMUJFWSA-N 2 0 241.379 -0.062 10 0 BBAERP C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000049474526 173039410 /nfs/dbraw/zinc/03/94/10/173039410.db2.gz IRGAHPNAOAZSHJ-JTQLQIEISA-N 2 0 211.309 -0.240 10 0 BBAERP C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000049474527 188298653 /nfs/dbraw/zinc/29/86/53/188298653.db2.gz IRGAHPNAOAZSHJ-SNVBAGLBSA-N 2 0 211.309 -0.240 10 0 BBAERP CC[NH2+]CCNCCC[NH+]1CCN(C)CC1 ZINC000049474658 170115653 /nfs/dbraw/zinc/11/56/53/170115653.db2.gz RHXQYQLCPVZEGH-UHFFFAOYSA-N 2 0 228.384 -0.177 10 0 BBAERP C[NH+]1CCN(CCC[NH2+]CCO)CC1 ZINC000049474707 173078906 /nfs/dbraw/zinc/07/89/06/173078906.db2.gz IHIKFRZVCUBVJD-UHFFFAOYSA-N 2 0 201.314 -0.794 10 0 BBAERP C[NH+]1CCN(CCC[NH2+]CCCO)CC1 ZINC000049474767 173079411 /nfs/dbraw/zinc/07/94/11/173079411.db2.gz UMVPHFYYMSUZTO-UHFFFAOYSA-N 2 0 215.341 -0.404 10 0 BBAERP CC(C)[NH2+]CCN1CC[NH+](CCO)CC1 ZINC000049474853 167105130 /nfs/dbraw/zinc/10/51/30/167105130.db2.gz VUMGQAQXKLDNQI-UHFFFAOYSA-N 2 0 215.341 -0.406 10 0 BBAERP CN1CC[NH+](CCCNCC[NH3+])CC1 ZINC000049475047 173079810 /nfs/dbraw/zinc/07/98/10/173079810.db2.gz JGBRDTUJARNVDL-UHFFFAOYSA-N 2 0 200.330 -0.828 10 0 BBAERP CCC[NH2+]CCN1CC[NH+](CCO)CC1 ZINC000049477658 169257866 /nfs/dbraw/zinc/25/78/66/169257866.db2.gz HUMNBPCTZNZBBR-UHFFFAOYSA-N 2 0 215.341 -0.404 10 0 BBAERP C[NH2+]CCNCCC[NH+]1CCN(C)CC1 ZINC000049477854 173355750 /nfs/dbraw/zinc/35/57/50/173355750.db2.gz YZJANPDAGBTMGV-UHFFFAOYSA-N 2 0 214.357 -0.567 10 0 BBAERP CC[NH2+]CCN1CC[NH+](CCO)CC1 ZINC000049478483 170113768 /nfs/dbraw/zinc/11/37/68/170113768.db2.gz JXUHNNQNICVDKZ-UHFFFAOYSA-N 2 0 201.314 -0.794 10 0 BBAERP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000049568699 181401211 /nfs/dbraw/zinc/40/12/11/181401211.db2.gz GFEWRZDYSZRVSK-BDAKNGLRSA-N 2 0 233.337 -0.899 10 0 BBAERP C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000049645301 173154709 /nfs/dbraw/zinc/15/47/09/173154709.db2.gz KTMLRPXRDIAWRE-UWVGGRQHSA-N 2 0 247.364 -0.638 10 0 BBAERP C[NH2+][C@@H]1CCN(C[C@H]2CC[N@H+](C)C2)C1=O ZINC000049648825 188327616 /nfs/dbraw/zinc/32/76/16/188327616.db2.gz XEERDMVKLMDPIF-VHSXEESVSA-N 2 0 211.309 -0.242 10 0 BBAERP [NH3+]CCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000049813502 181377285 /nfs/dbraw/zinc/37/72/85/181377285.db2.gz GEBBRDIYHNLKQB-MRVPVSSYSA-N 2 0 206.311 -0.498 10 0 BBAERP [NH3+]CCCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000049813503 181377643 /nfs/dbraw/zinc/37/76/43/181377643.db2.gz GEBBRDIYHNLKQB-QMMMGPOBSA-N 2 0 206.311 -0.498 10 0 BBAERP CCOCCC[NH+]1CCN(CC[NH3+])CC1 ZINC000049815897 170373649 /nfs/dbraw/zinc/37/36/49/170373649.db2.gz WGYQAWQSPCVTCO-UHFFFAOYSA-N 2 0 215.341 -0.011 10 0 BBAERP COCCC[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000049821459 174231204 /nfs/dbraw/zinc/23/12/04/174231204.db2.gz YXSTWGYVHRKIJS-UHFFFAOYSA-N 2 0 229.324 -0.484 10 0 BBAERP CN1CCN(C(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000050248273 173067376 /nfs/dbraw/zinc/06/73/76/173067376.db2.gz WLZSWMXXIRLKSO-LLVKDONJSA-N 2 0 240.351 -0.959 10 0 BBAERP CN1CCN(C(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000050248275 173067903 /nfs/dbraw/zinc/06/79/03/173067903.db2.gz WLZSWMXXIRLKSO-NSHDSACASA-N 2 0 240.351 -0.959 10 0 BBAERP Cn1cc(C[N@@H+]2CCCN(CC[NH3+])CC2)cn1 ZINC000050539185 343162632 /nfs/dbraw/zinc/16/26/32/343162632.db2.gz CYQAUSAORTWSLU-UHFFFAOYSA-N 2 0 237.351 -0.114 10 0 BBAERP C[C@@H]1C[N@H+](CC2(O)CC[NH2+]CC2)CCO1 ZINC000051015886 176284993 /nfs/dbraw/zinc/28/49/93/176284993.db2.gz UBQBDJLBOHBYFI-SNVBAGLBSA-N 2 0 214.309 -0.178 10 0 BBAERP C[C@H]1C[N@H+](CC2(O)CC[NH2+]CC2)CCO1 ZINC000051015888 177245305 /nfs/dbraw/zinc/24/53/05/177245305.db2.gz UBQBDJLBOHBYFI-JTQLQIEISA-N 2 0 214.309 -0.178 10 0 BBAERP CN1CCC[N@H+](CC2(O)CC[NH2+]CC2)CC1 ZINC000051015899 173015423 /nfs/dbraw/zinc/01/54/23/173015423.db2.gz KHZCXBQLMMZVLJ-UHFFFAOYSA-N 2 0 227.352 -0.262 10 0 BBAERP NC(=O)[C@@H]1CCC[N@@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015907 181269202 /nfs/dbraw/zinc/26/92/02/181269202.db2.gz GXOYOENOGILXEI-VIFPVBQESA-N 2 0 227.308 -0.949 10 0 BBAERP C[C@@H]1COCC[N@@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015955 176336441 /nfs/dbraw/zinc/33/64/41/176336441.db2.gz FTUJBVBVPDCFIL-SNVBAGLBSA-N 2 0 214.309 -0.178 10 0 BBAERP C[C@H]1COCC[N@@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015957 177291023 /nfs/dbraw/zinc/29/10/23/177291023.db2.gz FTUJBVBVPDCFIL-JTQLQIEISA-N 2 0 214.309 -0.178 10 0 BBAERP CCCNC(=O)C[N@H+](C)CC1(O)CC[NH2+]CC1 ZINC000051016104 169219783 /nfs/dbraw/zinc/21/97/83/169219783.db2.gz JJLPTJZJZFYDKD-UHFFFAOYSA-N 2 0 243.351 -0.441 10 0 BBAERP NC(=O)[C@H]1CCCC[N@@H+]1CC1(O)CC[NH2+]CC1 ZINC000051016133 181279606 /nfs/dbraw/zinc/27/96/06/181279606.db2.gz ZJRJXXRJPDMFQN-SNVBAGLBSA-N 2 0 241.335 -0.559 10 0 BBAERP OC1(C[N@@H+]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000051016280 183019208 /nfs/dbraw/zinc/01/92/08/183019208.db2.gz CGGWXWVSTVJPKO-UHFFFAOYSA-N 3 0 213.325 -0.604 10 0 BBAERP C[NH+]1CCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000051209113 173084165 /nfs/dbraw/zinc/08/41/65/173084165.db2.gz LOFSSAVKYWTMGA-LLVKDONJSA-N 2 0 213.325 -0.401 10 0 BBAERP C[NH+]1CCN(C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000051209116 173085359 /nfs/dbraw/zinc/08/53/59/173085359.db2.gz LOFSSAVKYWTMGA-NSHDSACASA-N 2 0 213.325 -0.401 10 0 BBAERP C[NH2+]C[C@]1(CN2CC[NH+](C)CC2)CCOC1 ZINC000051209224 173384086 /nfs/dbraw/zinc/38/40/86/173384086.db2.gz LYGMVQYGEHLYFJ-LBPRGKRZSA-N 2 0 227.352 -0.140 10 0 BBAERP C[NH2+]C[C@@]1(CN2CC[NH+](C)CC2)CCOC1 ZINC000051209227 173373282 /nfs/dbraw/zinc/37/32/82/173373282.db2.gz LYGMVQYGEHLYFJ-GFCCVEGCSA-N 2 0 227.352 -0.140 10 0 BBAERP C[N@@H+]1CCCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000051213732 173015831 /nfs/dbraw/zinc/01/58/31/173015831.db2.gz JIVHQQJUBMYVJB-GFCCVEGCSA-N 2 0 227.352 -0.011 10 0 BBAERP C[NH2+]C[C@]1(C[N@H+](C)C[C@H](O)COC)CCOC1 ZINC000051284502 173384143 /nfs/dbraw/zinc/38/41/43/173384143.db2.gz LWHRKQLPEYCCNK-RYUDHWBXSA-N 2 0 246.351 -0.448 10 0 BBAERP C[NH2+]C[C@@]1(C[N@H+](C)C[C@H](O)COC)CCOC1 ZINC000051284504 173373615 /nfs/dbraw/zinc/37/36/15/173373615.db2.gz LWHRKQLPEYCCNK-NWDGAFQWSA-N 2 0 246.351 -0.448 10 0 BBAERP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000051694879 181341739 /nfs/dbraw/zinc/34/17/39/181341739.db2.gz VGGYZNXZTVPNFX-QLEHZGMVSA-N 2 0 227.308 -0.905 10 0 BBAERP [NH3+]C1CCC(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000051694881 181341853 /nfs/dbraw/zinc/34/18/53/181341853.db2.gz VGGYZNXZTVPNFX-HORUIINNSA-N 2 0 227.308 -0.905 10 0 BBAERP [NH3+]C1CCC(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000051694883 181341171 /nfs/dbraw/zinc/34/11/71/181341171.db2.gz VGGYZNXZTVPNFX-BMNUFHGDSA-N 2 0 227.308 -0.905 10 0 BBAERP [NH3+]C1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000051694886 181341815 /nfs/dbraw/zinc/34/18/15/181341815.db2.gz VGGYZNXZTVPNFX-YDYPAMBWSA-N 2 0 227.308 -0.905 10 0 BBAERP CNC(=O)CC[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000051757636 173251732 /nfs/dbraw/zinc/25/17/32/173251732.db2.gz RECJZWMRLKGUNB-UHFFFAOYSA-N 2 0 242.367 -0.521 10 0 BBAERP NC(=O)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889283 181216353 /nfs/dbraw/zinc/21/63/53/181216353.db2.gz HZLGJBIWGBIUCB-SECBINFHSA-N 2 0 211.309 -0.207 10 0 BBAERP NC(=O)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000051889284 181216284 /nfs/dbraw/zinc/21/62/84/181216284.db2.gz HZLGJBIWGBIUCB-VIFPVBQESA-N 2 0 211.309 -0.207 10 0 BBAERP [NH3+]CCN1CC[NH+](CC2CCOCC2)CC1 ZINC000052171479 181392401 /nfs/dbraw/zinc/39/24/01/181392401.db2.gz NBFMDKFGMJCDSC-UHFFFAOYSA-N 2 0 227.352 -0.011 10 0 BBAERP C[NH+]1CCN([C@@H](C[NH3+])C2CCOCC2)CC1 ZINC000052176494 173092019 /nfs/dbraw/zinc/09/20/19/173092019.db2.gz RBXTWNHXYFORBW-LBPRGKRZSA-N 2 0 227.352 -0.012 10 0 BBAERP C[NH+]1CCN([C@H](C[NH3+])C2CCOCC2)CC1 ZINC000052176496 173095702 /nfs/dbraw/zinc/09/57/02/173095702.db2.gz RBXTWNHXYFORBW-GFCCVEGCSA-N 2 0 227.352 -0.012 10 0 BBAERP NC(=O)[C@H](C1CCOCC1)N1CCC[NH2+]CC1 ZINC000052178848 181276871 /nfs/dbraw/zinc/27/68/71/181276871.db2.gz WTRFLMWOIVVKME-NSHDSACASA-N 2 0 241.335 -0.438 10 0 BBAERP C[NH+]1CCN(CC2(C[NH3+])CCOCC2)CC1 ZINC000052180728 173079155 /nfs/dbraw/zinc/07/91/55/173079155.db2.gz MGVPUIZKPWKGQH-UHFFFAOYSA-N 2 0 227.352 -0.011 10 0 BBAERP CN1CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052379431 173084757 /nfs/dbraw/zinc/08/47/57/173084757.db2.gz OSDAUSQCMRBKCS-MNOVXSKESA-N 2 0 213.325 -0.260 10 0 BBAERP CN1CC[NH+](C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052379433 173085629 /nfs/dbraw/zinc/08/56/29/173085629.db2.gz OSDAUSQCMRBKCS-GHMZBOCLSA-N 2 0 213.325 -0.260 10 0 BBAERP CN1CC[NH+](C[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052379435 173085920 /nfs/dbraw/zinc/08/59/20/173085920.db2.gz OSDAUSQCMRBKCS-QWRGUYRKSA-N 2 0 213.325 -0.260 10 0 BBAERP CN1CC[NH+](C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052379437 173084970 /nfs/dbraw/zinc/08/49/70/173084970.db2.gz OSDAUSQCMRBKCS-WDEREUQCSA-N 2 0 213.325 -0.260 10 0 BBAERP C[N@@H+]1CCCN(CCn2cc(C[NH3+])nn2)CC1 ZINC000052424272 173014399 /nfs/dbraw/zinc/01/43/99/173014399.db2.gz XPWMZDMEZBNSMV-UHFFFAOYSA-N 2 0 238.339 -0.626 10 0 BBAERP COCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000052790951 174392387 /nfs/dbraw/zinc/39/23/87/174392387.db2.gz VVGDNNXPHKHRBM-LLVKDONJSA-N 2 0 243.351 -0.097 10 0 BBAERP COCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](C)CC1 ZINC000052790952 174414698 /nfs/dbraw/zinc/41/46/98/174414698.db2.gz VVGDNNXPHKHRBM-NSHDSACASA-N 2 0 243.351 -0.097 10 0 BBAERP COCC[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000052791470 174392003 /nfs/dbraw/zinc/39/20/03/174392003.db2.gz OTQQRFJITIYJBP-SECBINFHSA-N 2 0 215.297 -0.828 10 0 BBAERP COCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000052808710 632498529 /nfs/dbraw/zinc/49/85/29/632498529.db2.gz RRGOOMGVZJYEDM-MNOVXSKESA-N 2 0 241.335 -0.343 10 0 BBAERP COCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000052808711 632497733 /nfs/dbraw/zinc/49/77/33/632497733.db2.gz RRGOOMGVZJYEDM-GHMZBOCLSA-N 2 0 241.335 -0.343 10 0 BBAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCOC)C1 ZINC000052809583 632498349 /nfs/dbraw/zinc/49/83/49/632498349.db2.gz AGUFEPBBUPZZAC-WDEREUQCSA-N 2 0 243.351 -0.049 10 0 BBAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCOC)C1 ZINC000052809584 632497974 /nfs/dbraw/zinc/49/79/74/632497974.db2.gz AGUFEPBBUPZZAC-GHMZBOCLSA-N 2 0 243.351 -0.049 10 0 BBAERP Cc1nnc(N2CC[NH2+]CC2)c(C[NH3+])c1C ZINC000052861010 132362571 /nfs/dbraw/zinc/36/25/71/132362571.db2.gz VVHUFYVGIKBKQR-UHFFFAOYSA-N 2 0 221.308 -0.038 10 0 BBAERP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000053031482 173370431 /nfs/dbraw/zinc/37/04/31/173370431.db2.gz DTPHBLWIKMUOCD-WDEREUQCSA-N 2 0 214.309 -0.057 10 0 BBAERP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000053031483 173381258 /nfs/dbraw/zinc/38/12/58/173381258.db2.gz DTPHBLWIKMUOCD-GHMZBOCLSA-N 2 0 214.309 -0.057 10 0 BBAERP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)CC[NH3+] ZINC000053245323 173043369 /nfs/dbraw/zinc/04/33/69/173043369.db2.gz KTNWVKBLVDYIFA-VIFPVBQESA-N 2 0 235.353 -0.699 10 0 BBAERP CN(CCN1CC[NH2+]CC1)[C@H]1CCC[N@H+](C)C1 ZINC000053245391 173044677 /nfs/dbraw/zinc/04/46/77/173044677.db2.gz MLSYXUISRBMWAA-ZDUSSCGKSA-N 2 0 240.395 -0.082 10 0 BBAERP CN(C[C@](C)([NH3+])C(N)=O)[C@@H]1CCC[N@H+](C)C1 ZINC000053248157 188338885 /nfs/dbraw/zinc/33/88/85/188338885.db2.gz NLZXDGNTADDNAP-KOLCDFICSA-N 2 0 228.340 -0.785 10 0 BBAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000053253158 173141164 /nfs/dbraw/zinc/14/11/64/173141164.db2.gz YLGWWUIOLUYVFI-UWVGGRQHSA-N 2 0 211.309 -0.194 10 0 BBAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000053253160 173110994 /nfs/dbraw/zinc/11/09/94/173110994.db2.gz YLGWWUIOLUYVFI-ZJUUUORDSA-N 2 0 211.309 -0.194 10 0 BBAERP C[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000053298628 177291606 /nfs/dbraw/zinc/29/16/06/177291606.db2.gz WGDNKINYSXOIDW-NSHDSACASA-N 2 0 241.335 -0.471 10 0 BBAERP CC(C)NC(=O)CC[NH+]1CCN(CC[NH3+])CC1 ZINC000054047897 167038974 /nfs/dbraw/zinc/03/89/74/167038974.db2.gz IWJGFHGAGDXYBF-UHFFFAOYSA-N 2 0 242.367 -0.523 10 0 BBAERP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000054075165 385595104 /nfs/dbraw/zinc/59/51/04/385595104.db2.gz BFPNVAFZVDNIKJ-VHSXEESVSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH2+][C@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000054075166 385595160 /nfs/dbraw/zinc/59/51/60/385595160.db2.gz BFPNVAFZVDNIKJ-NXEZZACHSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH2+][C@H](C)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000054075578 348878093 /nfs/dbraw/zinc/87/80/93/348878093.db2.gz UMLITPLHTLSPJV-LLVKDONJSA-N 2 0 243.351 -0.225 10 0 BBAERP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054076772 385595316 /nfs/dbraw/zinc/59/53/16/385595316.db2.gz AJSBHTGZCVYKQG-RKDXNWHRSA-N 2 0 211.309 -0.053 10 0 BBAERP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054076774 385451273 /nfs/dbraw/zinc/45/12/73/385451273.db2.gz AJSBHTGZCVYKQG-BDAKNGLRSA-N 2 0 211.309 -0.053 10 0 BBAERP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000054306073 182028481 /nfs/dbraw/zinc/02/84/81/182028481.db2.gz TYWOQUZWBPHNLJ-SNVBAGLBSA-N 2 0 211.309 -0.192 10 0 BBAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000054306075 182019294 /nfs/dbraw/zinc/01/92/94/182019294.db2.gz TYWOQUZWBPHNLJ-JTQLQIEISA-N 2 0 211.309 -0.192 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000054369596 176325460 /nfs/dbraw/zinc/32/54/60/176325460.db2.gz VGEQZMAFZIDBND-NXEZZACHSA-N 2 0 211.309 -0.242 10 0 BBAERP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000054369598 177282897 /nfs/dbraw/zinc/28/28/97/177282897.db2.gz VGEQZMAFZIDBND-VHSXEESVSA-N 2 0 211.309 -0.242 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000054369600 176327061 /nfs/dbraw/zinc/32/70/61/176327061.db2.gz VGEQZMAFZIDBND-ZJUUUORDSA-N 2 0 211.309 -0.242 10 0 BBAERP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000054369601 177284137 /nfs/dbraw/zinc/28/41/37/177284137.db2.gz VGEQZMAFZIDBND-UWVGGRQHSA-N 2 0 211.309 -0.242 10 0 BBAERP C[N@@H+]1CCCN(c2nccnc2C(N)=[NH2+])CC1 ZINC000054379547 173019296 /nfs/dbraw/zinc/01/92/96/173019296.db2.gz CMFYDTKCMZTEQY-UHFFFAOYSA-N 2 0 234.307 -0.097 10 0 BBAERP NS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628782 181344634 /nfs/dbraw/zinc/34/46/34/181344634.db2.gz LJKJCBBRSOPNPT-PBINXNQUSA-N 2 0 247.364 -0.381 10 0 BBAERP C[NH+]1CCN(CC[NH2+]Cc2ccncn2)CC1 ZINC000054789603 173083994 /nfs/dbraw/zinc/08/39/94/173083994.db2.gz POLFNBOQPCFZPK-UHFFFAOYSA-N 2 0 235.335 -0.186 10 0 BBAERP OCC[NH+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000058267061 183065515 /nfs/dbraw/zinc/06/55/15/183065515.db2.gz LMIGRZLDHPPPHR-JTQLQIEISA-N 2 0 202.298 -0.727 10 0 BBAERP OCC[NH+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000058267063 183067111 /nfs/dbraw/zinc/06/71/11/183067111.db2.gz LMIGRZLDHPPPHR-SNVBAGLBSA-N 2 0 202.298 -0.727 10 0 BBAERP OCC[NH+](CCO)CC1CC[NH2+]CC1 ZINC000058267070 183066352 /nfs/dbraw/zinc/06/63/52/183066352.db2.gz XKKOYRXZPYUZEV-UHFFFAOYSA-N 2 0 202.298 -0.727 10 0 BBAERP CNc1nc(N2CCC([NH3+])CC2)nc(NC)[nH+]1 ZINC000058824813 132368439 /nfs/dbraw/zinc/36/84/39/132368439.db2.gz ULSYLNRIUVLDEX-UHFFFAOYSA-N 2 0 237.311 -0.118 10 0 BBAERP CNc1nc(N2CC[NH2+]CC2)nc(NC)[nH+]1 ZINC000058824815 132368360 /nfs/dbraw/zinc/36/83/60/132368360.db2.gz RQUWXXWUHHUMAS-UHFFFAOYSA-N 2 0 223.284 -0.635 10 0 BBAERP [NH3+]C1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000058827497 181343384 /nfs/dbraw/zinc/34/33/84/181343384.db2.gz RBZFQQVPAAJFLH-UHFFFAOYSA-N 2 0 212.297 -0.565 10 0 BBAERP [NH3+]Cc1cc(N2CC[NH+](CCO)CC2)ccn1 ZINC000060382284 132368756 /nfs/dbraw/zinc/36/87/56/132368756.db2.gz JZDSUNJKYUCPBK-UHFFFAOYSA-N 2 0 236.319 -0.345 10 0 BBAERP C[N@@H+]1CC[C@H](NC(=O)CN2CCC[NH2+]CC2)C1 ZINC000061274108 173150869 /nfs/dbraw/zinc/15/08/69/173150869.db2.gz VOGCAXMVODXHBZ-NSHDSACASA-N 2 0 240.351 -0.898 10 0 BBAERP C[N@@H+]1CC[C@@H](NC(=O)CN2CCC[NH2+]CC2)C1 ZINC000061274109 173121752 /nfs/dbraw/zinc/12/17/52/173121752.db2.gz VOGCAXMVODXHBZ-LLVKDONJSA-N 2 0 240.351 -0.898 10 0 BBAERP C[NH+]1CCN(CCN2CCC[NH2+]CC2)CC1 ZINC000061274902 173082444 /nfs/dbraw/zinc/08/24/44/173082444.db2.gz PMIJDYXBEANMPZ-UHFFFAOYSA-N 2 0 226.368 -0.471 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000061380542 174277750 /nfs/dbraw/zinc/27/77/50/174277750.db2.gz OFUVKZSDGQEKAB-NSHDSACASA-N 2 0 243.351 -0.320 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@](C)([NH3+])C1CC1 ZINC000061380642 174277180 /nfs/dbraw/zinc/27/71/80/174277180.db2.gz IGKHIERYPCRQAQ-GFCCVEGCSA-N 2 0 243.351 -0.192 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@@](C)([NH3+])C1CC1 ZINC000061380644 174276970 /nfs/dbraw/zinc/27/69/70/174276970.db2.gz IGKHIERYPCRQAQ-LBPRGKRZSA-N 2 0 243.351 -0.192 10 0 BBAERP CCC[C@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380687 386455735 /nfs/dbraw/zinc/45/57/35/386455735.db2.gz YFHLGLUGSDMGTE-JTQLQIEISA-N 2 0 231.340 -0.192 10 0 BBAERP CCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000061380691 169389357 /nfs/dbraw/zinc/38/93/57/169389357.db2.gz YFHLGLUGSDMGTE-SNVBAGLBSA-N 2 0 231.340 -0.192 10 0 BBAERP C[NH2+][C@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000061380749 384756340 /nfs/dbraw/zinc/75/63/40/384756340.db2.gz JNNQUGPUTNWBDV-SECBINFHSA-N 2 0 217.313 -0.711 10 0 BBAERP CC[NH2+]C[C@@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000061380752 170118726 /nfs/dbraw/zinc/11/87/26/170118726.db2.gz XHOISXAAUUCJPN-LLVKDONJSA-N 2 0 245.367 -0.074 10 0 BBAERP CC[NH2+]C[C@H](C)C(=O)NCC[N@H+](C)CCOC ZINC000061380755 170122266 /nfs/dbraw/zinc/12/22/66/170122266.db2.gz XHOISXAAUUCJPN-NSHDSACASA-N 2 0 245.367 -0.074 10 0 BBAERP CC[C@H](C(N)=O)N1CC[NH+](CCCC[NH3+])CC1 ZINC000061676131 171245277 /nfs/dbraw/zinc/24/52/77/171245277.db2.gz VPHQONQXXYEHQC-LLVKDONJSA-N 2 0 242.367 -0.393 10 0 BBAERP C[NH2+]C[C@]1(C[N@@H+]2CC[C@H](O)C2)CCOC1 ZINC000061711787 173384288 /nfs/dbraw/zinc/38/42/88/173384288.db2.gz XZPJCJGYJFILSR-QWRGUYRKSA-N 2 0 214.309 -0.321 10 0 BBAERP C[NH2+]C[C@@]1(C[N@@H+]2CC[C@H](O)C2)CCOC1 ZINC000061711788 173373446 /nfs/dbraw/zinc/37/34/46/173373446.db2.gz XZPJCJGYJFILSR-WDEREUQCSA-N 2 0 214.309 -0.321 10 0 BBAERP [NH3+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000061712126 181359054 /nfs/dbraw/zinc/35/90/54/181359054.db2.gz XWDHUWJQCBZENY-SNVBAGLBSA-N 2 0 214.309 -0.192 10 0 BBAERP [NH3+]CC1(C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000061712127 181359357 /nfs/dbraw/zinc/35/93/57/181359357.db2.gz XWDHUWJQCBZENY-JTQLQIEISA-N 2 0 214.309 -0.192 10 0 BBAERP [NH3+]CCN(CC[NH3+])c1nccn(C2CC2)c1=O ZINC000061806508 181390095 /nfs/dbraw/zinc/39/00/95/181390095.db2.gz CDBDXLJYNJVHCT-UHFFFAOYSA-N 2 0 237.307 -0.698 10 0 BBAERP NC(=[NH2+])c1cc(N2CC[NH+](CCO)CC2)ccn1 ZINC000061814124 132387279 /nfs/dbraw/zinc/38/72/79/132387279.db2.gz PEKAGXPRPKYELC-UHFFFAOYSA-N 2 0 249.318 -0.520 10 0 BBAERP OC1(C[N@@H+]2CCCOCC2)CC[NH2+]CC1 ZINC000061918664 183018384 /nfs/dbraw/zinc/01/83/84/183018384.db2.gz CEFVVHXZRRPQDV-UHFFFAOYSA-N 2 0 214.309 -0.177 10 0 BBAERP C[C@@H]1C[N@H+](CCn2cc(C[NH3+])nn2)CCCO1 ZINC000061935615 176295245 /nfs/dbraw/zinc/29/52/45/176295245.db2.gz OOZXXPQBPLCSLK-SNVBAGLBSA-N 2 0 239.323 -0.152 10 0 BBAERP C[C@H]1C[N@H+](CCn2cc(C[NH3+])nn2)CCCO1 ZINC000061935616 177255466 /nfs/dbraw/zinc/25/54/66/177255466.db2.gz OOZXXPQBPLCSLK-JTQLQIEISA-N 2 0 239.323 -0.152 10 0 BBAERP CN1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000061988965 173081134 /nfs/dbraw/zinc/08/11/34/173081134.db2.gz YAPIBIONDRDCEP-GFCCVEGCSA-N 2 0 226.368 -0.473 10 0 BBAERP CN1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000061988966 173082112 /nfs/dbraw/zinc/08/21/12/173082112.db2.gz YAPIBIONDRDCEP-LBPRGKRZSA-N 2 0 226.368 -0.473 10 0 BBAERP C[C@H]1CN([C@]2(C[NH3+])CC[N@H+](C)C2)CCO1 ZINC000061990027 177276404 /nfs/dbraw/zinc/27/64/04/177276404.db2.gz GQVXMCNVWSOKEZ-QWRGUYRKSA-N 2 0 213.325 -0.260 10 0 BBAERP CN1CC[C@@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000061990122 173016452 /nfs/dbraw/zinc/01/64/52/173016452.db2.gz PTRCKPYWFCGJRE-LBPRGKRZSA-N 2 0 226.368 -0.343 10 0 BBAERP C[C@@H]1COCCN1[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990254 176336996 /nfs/dbraw/zinc/33/69/96/176336996.db2.gz MJFIHVNAIKYKDY-MNOVXSKESA-N 2 0 213.325 -0.260 10 0 BBAERP C[C@H]1COCCN1[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990255 177293655 /nfs/dbraw/zinc/29/36/55/177293655.db2.gz MJFIHVNAIKYKDY-QWRGUYRKSA-N 2 0 213.325 -0.260 10 0 BBAERP C[N@@H+]1CC[C@@](C[NH3+])(N2CCCOCC2)C1 ZINC000061990828 173136258 /nfs/dbraw/zinc/13/62/58/173136258.db2.gz JDOJIIYNDKZTND-NSHDSACASA-N 2 0 213.325 -0.258 10 0 BBAERP C[N@@H+]1CC[C@](C[NH3+])(N2CCCOCC2)C1 ZINC000061990829 173162594 /nfs/dbraw/zinc/16/25/94/173162594.db2.gz JDOJIIYNDKZTND-LLVKDONJSA-N 2 0 213.325 -0.258 10 0 BBAERP C[N@@H+]1CC[C@@](CO)(N2CCC[NH2+]CC2)C1 ZINC000061992142 173136333 /nfs/dbraw/zinc/13/63/33/173136333.db2.gz RMCSMBLHYMVQSQ-LLVKDONJSA-N 2 0 213.325 -0.652 10 0 BBAERP C[N@@H+]1CC[C@](CO)(N2CCC[NH2+]CC2)C1 ZINC000061992143 173162145 /nfs/dbraw/zinc/16/21/45/173162145.db2.gz RMCSMBLHYMVQSQ-NSHDSACASA-N 2 0 213.325 -0.652 10 0 BBAERP COCCC[N@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000062031636 174217902 /nfs/dbraw/zinc/21/79/02/174217902.db2.gz HHPPWVSNUPHVGM-NSHDSACASA-N 2 0 243.351 -0.225 10 0 BBAERP COCCC[N@H+](C)[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000062031637 174221034 /nfs/dbraw/zinc/22/10/34/174221034.db2.gz HHPPWVSNUPHVGM-LLVKDONJSA-N 2 0 243.351 -0.225 10 0 BBAERP O=C1CC[N@H+](C[C@H]2CCC[NH2+]C2)CCN1 ZINC000062100539 386566658 /nfs/dbraw/zinc/56/66/58/386566658.db2.gz HAHNELOIQJAYTO-JTQLQIEISA-N 2 0 211.309 -0.192 10 0 BBAERP O=C1CC[N@H+](C[C@@H]2CCC[NH2+]C2)CCN1 ZINC000062100540 386565350 /nfs/dbraw/zinc/56/53/50/386565350.db2.gz HAHNELOIQJAYTO-SNVBAGLBSA-N 2 0 211.309 -0.192 10 0 BBAERP O=C(NCC[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000062112819 182184777 /nfs/dbraw/zinc/18/47/77/182184777.db2.gz OMZSMIBIISUCSD-SNVBAGLBSA-N 2 0 211.309 -0.192 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115850 173045841 /nfs/dbraw/zinc/04/58/41/173045841.db2.gz IPYCMLZYHRBIKG-ZJUUUORDSA-N 2 0 211.309 -0.194 10 0 BBAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115851 173021070 /nfs/dbraw/zinc/02/10/70/173021070.db2.gz IPYCMLZYHRBIKG-NXEZZACHSA-N 2 0 211.309 -0.194 10 0 BBAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062116628 182335279 /nfs/dbraw/zinc/33/52/79/182335279.db2.gz SEWCENCOWDWGHM-ZJUUUORDSA-N 2 0 223.320 -0.051 10 0 BBAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062116629 182303190 /nfs/dbraw/zinc/30/31/90/182303190.db2.gz SEWCENCOWDWGHM-NXEZZACHSA-N 2 0 223.320 -0.051 10 0 BBAERP [NH3+]C1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062116812 181341153 /nfs/dbraw/zinc/34/11/53/181341153.db2.gz SAXANLGCQYIDLC-XNWIYYODSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062116813 181341403 /nfs/dbraw/zinc/34/14/03/181341403.db2.gz SAXANLGCQYIDLC-IDKOKCKLSA-N 2 0 211.309 -0.018 10 0 BBAERP CCC[NH+]1CCN(CC[C@H]([NH2+]C)C(N)=O)CC1 ZINC000062439581 169203098 /nfs/dbraw/zinc/20/30/98/169203098.db2.gz ADYIPUVAOAZTAS-NSHDSACASA-N 2 0 242.367 -0.523 10 0 BBAERP CCC[NH+]1CCN(CC[C@@H]([NH2+]C)C(N)=O)CC1 ZINC000062439582 169203808 /nfs/dbraw/zinc/20/38/08/169203808.db2.gz ADYIPUVAOAZTAS-LLVKDONJSA-N 2 0 242.367 -0.523 10 0 BBAERP CC[NH2+][C@@H](CCN1CCC[N@H+](C)CC1)C(N)=O ZINC000062444219 170144635 /nfs/dbraw/zinc/14/46/35/170144635.db2.gz LOVNDTCFKLDUPH-NSHDSACASA-N 2 0 242.367 -0.523 10 0 BBAERP CC[NH2+][C@H](CCN1CCC[N@H+](C)CC1)C(N)=O ZINC000062444220 170161849 /nfs/dbraw/zinc/16/18/49/170161849.db2.gz LOVNDTCFKLDUPH-LLVKDONJSA-N 2 0 242.367 -0.523 10 0 BBAERP CC(C)[NH+]1CCN(CC[C@H]([NH3+])C(N)=O)CC1 ZINC000062449873 539016868 /nfs/dbraw/zinc/01/68/68/539016868.db2.gz QJSVJHUXGIKGQE-JTQLQIEISA-N 2 0 228.340 -0.785 10 0 BBAERP CC(C)[NH+]1CCN(CC[C@@H]([NH3+])C(N)=O)CC1 ZINC000062449875 539016982 /nfs/dbraw/zinc/01/69/82/539016982.db2.gz QJSVJHUXGIKGQE-SNVBAGLBSA-N 2 0 228.340 -0.785 10 0 BBAERP CC[C@@H]1CO[C@H](C)CN1CC[C@H]([NH2+]C)C(N)=O ZINC000062523328 171112879 /nfs/dbraw/zinc/11/28/79/171112879.db2.gz MKAWXBMDWNZTCL-MXWKQRLJSA-N 2 0 243.351 -0.051 10 0 BBAERP CC(C)C[NH+]1CCN(CC[C@H]([NH3+])C(N)=O)CC1 ZINC000062532165 641057591 /nfs/dbraw/zinc/05/75/91/641057591.db2.gz FJWGXRZTOMUITQ-NSHDSACASA-N 2 0 242.367 -0.537 10 0 BBAERP CC(C)C[NH+]1CCN(CC[C@@H]([NH3+])C(N)=O)CC1 ZINC000062532173 641058265 /nfs/dbraw/zinc/05/82/65/641058265.db2.gz FJWGXRZTOMUITQ-LLVKDONJSA-N 2 0 242.367 -0.537 10 0 BBAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCN1 ZINC000062813416 169157585 /nfs/dbraw/zinc/15/75/85/169157585.db2.gz YJGPASDYBKSAOH-NSHDSACASA-N 2 0 242.367 -0.652 10 0 BBAERP CCCN(CC[NH+](C)C)C(=O)[C@H]1C[NH2+]CCN1 ZINC000062813417 169158476 /nfs/dbraw/zinc/15/84/76/169158476.db2.gz YJGPASDYBKSAOH-LLVKDONJSA-N 2 0 242.367 -0.652 10 0 BBAERP CN(C(=O)[C@@H]1C[NH2+]CCN1)[C@H]1CCC[N@H+](C)C1 ZINC000062813552 173044750 /nfs/dbraw/zinc/04/47/50/173044750.db2.gz XBSPWZYMXYRSCX-QWRGUYRKSA-N 2 0 240.351 -0.900 10 0 BBAERP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[NH2+]CCN1 ZINC000062813640 182166898 /nfs/dbraw/zinc/16/68/98/182166898.db2.gz JNPAOCDQJZWWQQ-NSHDSACASA-N 2 0 240.351 -0.850 10 0 BBAERP O=C(NCCC[NH+]1CCCC1)[C@H]1C[NH2+]CCN1 ZINC000062813641 182166808 /nfs/dbraw/zinc/16/68/08/182166808.db2.gz JNPAOCDQJZWWQQ-LLVKDONJSA-N 2 0 240.351 -0.850 10 0 BBAERP C[NH+](C)[C@@H]1CCN(CCN2CC[NH2+]CC2)C1 ZINC000062965801 411334394 /nfs/dbraw/zinc/33/43/94/411334394.db2.gz IJJYHEAZWVJLKR-GFCCVEGCSA-N 2 0 226.368 -0.473 10 0 BBAERP C[NH+](C)[C@H]1CCN(CCN2CC[NH2+]CC2)C1 ZINC000062965802 411334455 /nfs/dbraw/zinc/33/44/55/411334455.db2.gz IJJYHEAZWVJLKR-LBPRGKRZSA-N 2 0 226.368 -0.473 10 0 BBAERP CC[NH2+][C@@H](CCN1CC[C@H]([NH+](C)C)C1)C(N)=O ZINC000062968717 170144723 /nfs/dbraw/zinc/14/47/23/170144723.db2.gz IDPSUJNQYQEUCN-QWRGUYRKSA-N 2 0 242.367 -0.524 10 0 BBAERP CC[NH2+][C@H](CCN1CC[C@H]([NH+](C)C)C1)C(N)=O ZINC000062968718 170161976 /nfs/dbraw/zinc/16/19/76/170161976.db2.gz IDPSUJNQYQEUCN-WDEREUQCSA-N 2 0 242.367 -0.524 10 0 BBAERP CCC[NH2+][C@@H](CN1CC[C@H]([NH+](C)C)C1)C(N)=O ZINC000062968859 169279599 /nfs/dbraw/zinc/27/95/99/169279599.db2.gz WAYZVZZZNYCHLU-QWRGUYRKSA-N 2 0 242.367 -0.524 10 0 BBAERP CCC[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)C(N)=O ZINC000062968860 169288965 /nfs/dbraw/zinc/28/89/65/169288965.db2.gz WAYZVZZZNYCHLU-WDEREUQCSA-N 2 0 242.367 -0.524 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000062971989 386666768 /nfs/dbraw/zinc/66/67/68/386666768.db2.gz LCZIQRVIUCSHFC-ZJUUUORDSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000062971990 386667908 /nfs/dbraw/zinc/66/79/08/386667908.db2.gz LCZIQRVIUCSHFC-UWVGGRQHSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000062972135 411334150 /nfs/dbraw/zinc/33/41/50/411334150.db2.gz RGPCDDFILNMZKK-ZJUUUORDSA-N 2 0 227.308 -0.863 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000062972136 411334718 /nfs/dbraw/zinc/33/47/18/411334718.db2.gz RGPCDDFILNMZKK-UWVGGRQHSA-N 2 0 227.308 -0.863 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000062972167 386668031 /nfs/dbraw/zinc/66/80/31/386668031.db2.gz LCZIQRVIUCSHFC-NXEZZACHSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000062972168 386667340 /nfs/dbraw/zinc/66/73/40/386667340.db2.gz LCZIQRVIUCSHFC-VHSXEESVSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000062972345 411334200 /nfs/dbraw/zinc/33/42/00/411334200.db2.gz KSPJVWAYIFSSQG-LLVKDONJSA-N 2 0 240.351 -0.946 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000062972346 411335100 /nfs/dbraw/zinc/33/51/00/411335100.db2.gz KSPJVWAYIFSSQG-NSHDSACASA-N 2 0 240.351 -0.946 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000062972423 349503157 /nfs/dbraw/zinc/50/31/57/349503157.db2.gz UUAKVUGXQGXTHS-SNVBAGLBSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000062972424 349503507 /nfs/dbraw/zinc/50/35/07/349503507.db2.gz UUAKVUGXQGXTHS-JTQLQIEISA-N 2 0 211.309 -0.099 10 0 BBAERP [NH3+]CCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062973777 411334431 /nfs/dbraw/zinc/33/44/31/411334431.db2.gz VONTTZBNPBZRNC-LLVKDONJSA-N 2 0 213.325 -0.258 10 0 BBAERP [NH3+]CCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973778 411335083 /nfs/dbraw/zinc/33/50/83/411335083.db2.gz VONTTZBNPBZRNC-NSHDSACASA-N 2 0 213.325 -0.258 10 0 BBAERP [NH3+]CCNC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062978091 181394004 /nfs/dbraw/zinc/39/40/04/181394004.db2.gz IELLVMGYZMXWGE-LLVKDONJSA-N 2 0 240.351 -0.769 10 0 BBAERP [NH3+]CCNC(=O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978092 181394165 /nfs/dbraw/zinc/39/41/65/181394165.db2.gz IELLVMGYZMXWGE-NSHDSACASA-N 2 0 240.351 -0.769 10 0 BBAERP CC[NH2+][C@@H](CN(C)CC[NH+]1CCCC1)C(N)=O ZINC000063053327 170144640 /nfs/dbraw/zinc/14/46/40/170144640.db2.gz AQZVWQQPMDQMJH-NSHDSACASA-N 2 0 242.367 -0.523 10 0 BBAERP CC[NH2+][C@H](CN(C)CC[NH+]1CCCC1)C(N)=O ZINC000063053328 170162450 /nfs/dbraw/zinc/16/24/50/170162450.db2.gz AQZVWQQPMDQMJH-LLVKDONJSA-N 2 0 242.367 -0.523 10 0 BBAERP C[N@H+](CC1CC[NH+](C)CC1)C[C@](C)(N)C(N)=O ZINC000063121733 172984703 /nfs/dbraw/zinc/98/47/03/172984703.db2.gz GYIJDASRSHQDCJ-LBPRGKRZSA-N 2 0 242.367 -0.537 10 0 BBAERP C[NH2+]CC1CC[NH+](CCN2CCNC2=O)CC1 ZINC000063165784 173338772 /nfs/dbraw/zinc/33/87/72/173338772.db2.gz SSVOLWVJANWAFB-UHFFFAOYSA-N 2 0 240.351 -0.057 10 0 BBAERP C[C@@H]1CC(C)(C)[NH2+]CCNCC[NH2+]CCN1 ZINC000068606304 176052742 /nfs/dbraw/zinc/05/27/42/176052742.db2.gz MGCDCXPCHTVINT-LLVKDONJSA-N 2 0 228.384 -0.084 10 0 BBAERP C[C@H]1CC(C)(C)[NH2+]CCNCC[NH2+]CCN1 ZINC000068606307 177064171 /nfs/dbraw/zinc/06/41/71/177064171.db2.gz MGCDCXPCHTVINT-NSHDSACASA-N 2 0 228.384 -0.084 10 0 BBAERP COC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000068891317 388811856 /nfs/dbraw/zinc/81/18/56/388811856.db2.gz RRVXWZAQWWCYEY-QWRGUYRKSA-N 2 0 216.325 -0.123 10 0 BBAERP COC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068891318 388811019 /nfs/dbraw/zinc/81/10/19/388811019.db2.gz RRVXWZAQWWCYEY-MNOVXSKESA-N 2 0 216.325 -0.123 10 0 BBAERP C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000069803316 349960674 /nfs/dbraw/zinc/96/06/74/349960674.db2.gz MAZBYHUMTUNLBS-RKDXNWHRSA-N 2 0 215.297 -0.959 10 0 BBAERP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000070069918 181395117 /nfs/dbraw/zinc/39/51/17/181395117.db2.gz CWIRUPZJPYEWJL-WDEREUQCSA-N 2 0 241.335 -0.438 10 0 BBAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000070069919 181394364 /nfs/dbraw/zinc/39/43/64/181394364.db2.gz CWIRUPZJPYEWJL-GHMZBOCLSA-N 2 0 241.335 -0.438 10 0 BBAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000070502756 181647090 /nfs/dbraw/zinc/64/70/90/181647090.db2.gz BVDZRXKGHDTKGC-UWVGGRQHSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000070502757 385872836 /nfs/dbraw/zinc/87/28/36/385872836.db2.gz BVDZRXKGHDTKGC-ZJUUUORDSA-N 2 0 211.309 -0.064 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000070621378 487984687 /nfs/dbraw/zinc/98/46/87/487984687.db2.gz IQMQWYBUPIYKBY-MNOVXSKESA-N 2 0 213.325 -0.389 10 0 BBAERP C[NH+](C)[C@H]1CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000070621379 487984517 /nfs/dbraw/zinc/98/45/17/487984517.db2.gz IQMQWYBUPIYKBY-QWRGUYRKSA-N 2 0 213.325 -0.389 10 0 BBAERP COC(=O)NC1(C[NH3+])CC[NH+](C)CC1 ZINC000070626843 361666845 /nfs/dbraw/zinc/66/68/45/361666845.db2.gz MMLRNAHUMIMGBU-UHFFFAOYSA-N 2 0 201.270 -0.235 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ncc[nH]1 ZINC000070646737 350039324 /nfs/dbraw/zinc/03/93/24/350039324.db2.gz WXHXYAUMZJILCO-HTQZYQBOSA-N 2 0 208.265 -0.119 10 0 BBAERP C[NH2+]C[C@H]1CCN(CC(=O)N2CCOC2=O)C1 ZINC000071146757 173380464 /nfs/dbraw/zinc/38/04/64/173380464.db2.gz ISGMTAGSTOUZHE-SECBINFHSA-N 2 0 241.291 -0.494 10 0 BBAERP C[NH2+]C[C@H]1CCN(CC(=O)N2CCNC2=O)C1 ZINC000071147491 173380862 /nfs/dbraw/zinc/38/08/62/173380862.db2.gz GQEHXLWADFDOIR-SECBINFHSA-N 2 0 240.307 -0.921 10 0 BBAERP CCNC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150854 170049251 /nfs/dbraw/zinc/04/92/51/170049251.db2.gz QERQREJFMMSEFL-UHFFFAOYSA-N 2 0 242.367 -0.650 10 0 BBAERP CC[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071190814 170145297 /nfs/dbraw/zinc/14/52/97/170145297.db2.gz MYEONCNNONEHNN-MNOVXSKESA-N 2 0 242.367 -0.667 10 0 BBAERP CC[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071190815 170162226 /nfs/dbraw/zinc/16/22/26/170162226.db2.gz MYEONCNNONEHNN-GHMZBOCLSA-N 2 0 242.367 -0.667 10 0 BBAERP C[NH2+]C[C@@H]1CN(CC[NH+](C)C)CCO1 ZINC000071508310 173371559 /nfs/dbraw/zinc/37/15/59/173371559.db2.gz UBYUCNIBYMBWAZ-SNVBAGLBSA-N 2 0 201.314 -0.532 10 0 BBAERP C[NH2+]C[C@H]1CN(CC[NH+](C)C)CCO1 ZINC000071508311 173382815 /nfs/dbraw/zinc/38/28/15/173382815.db2.gz UBYUCNIBYMBWAZ-JTQLQIEISA-N 2 0 201.314 -0.532 10 0 BBAERP COCCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC000071508487 174246897 /nfs/dbraw/zinc/24/68/97/174246897.db2.gz UHXTXGQSDQVUEJ-UHFFFAOYSA-N 2 0 202.298 -0.273 10 0 BBAERP [NH3+]CC1(O)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000071519052 643153552 /nfs/dbraw/zinc/15/35/52/643153552.db2.gz QYGFPNDUAFLOJO-JTQLQIEISA-N 2 0 214.309 -0.049 10 0 BBAERP CCC[NH+]1CCN(C[C@H](O)CC[NH3+])CC1 ZINC000071519435 169202349 /nfs/dbraw/zinc/20/23/49/169202349.db2.gz VFIAOBMQAHODBB-LLVKDONJSA-N 2 0 215.341 -0.276 10 0 BBAERP CCC[NH+]1CCN(C[C@@H](O)CC[NH3+])CC1 ZINC000071519436 169202419 /nfs/dbraw/zinc/20/24/19/169202419.db2.gz VFIAOBMQAHODBB-NSHDSACASA-N 2 0 215.341 -0.276 10 0 BBAERP CCCC[NH+]1CCN(C[C@H](O)C[NH3+])CC1 ZINC000071519439 168831935 /nfs/dbraw/zinc/83/19/35/168831935.db2.gz SAFPBDGTTJEJJP-LLVKDONJSA-N 2 0 215.341 -0.276 10 0 BBAERP C[NH2+]C[C@@H]1CN(CCC[NH+](C)C)CCO1 ZINC000071519447 173371493 /nfs/dbraw/zinc/37/14/93/173371493.db2.gz BVURLWNQSWONNL-LLVKDONJSA-N 2 0 215.341 -0.142 10 0 BBAERP C[NH2+]C[C@H]1CN(CCC[NH+](C)C)CCO1 ZINC000071519448 173382549 /nfs/dbraw/zinc/38/25/49/173382549.db2.gz BVURLWNQSWONNL-NSHDSACASA-N 2 0 215.341 -0.142 10 0 BBAERP C[NH2+]CC1(O)CCN(CCC[NH+](C)C)CC1 ZINC000071534307 173338201 /nfs/dbraw/zinc/33/82/01/173338201.db2.gz CWFVTZANOZMEBH-UHFFFAOYSA-N 2 0 229.368 -0.016 10 0 BBAERP [NH3+]CCc1nnc(CCN2CCOCC2)[nH]1 ZINC000072236556 384841993 /nfs/dbraw/zinc/84/19/93/384841993.db2.gz UUFQOHYLDVMVAZ-UHFFFAOYSA-N 2 0 225.296 -0.819 10 0 BBAERP Cc1nc2c(c(N3CC([NH3+])C3)n1)CC[NH2+]CC2 ZINC000072410888 180067846 /nfs/dbraw/zinc/06/78/46/180067846.db2.gz HQEVMJODEYSHGU-UHFFFAOYSA-N 2 0 233.319 -0.379 10 0 BBAERP CC[NH+]1CCN(c2ccc(NN)[nH+]n2)CC1 ZINC000073665875 535748267 /nfs/dbraw/zinc/74/82/67/535748267.db2.gz NPSNWNQNZQTYPY-UHFFFAOYSA-N 2 0 222.296 -0.096 10 0 BBAERP CN1CCO[C@H](CNC(=O)[C@@H]2CSCN2)C1 ZINC000074884835 359667660 /nfs/dbraw/zinc/66/76/60/359667660.db2.gz CFZMNIGQJBRZKR-BDAKNGLRSA-N 2 0 245.348 -0.904 10 0 BBAERP CN1CCO[C@@H](CNC(=O)[C@@H]2CSCN2)C1 ZINC000074884836 359667602 /nfs/dbraw/zinc/66/76/02/359667602.db2.gz CFZMNIGQJBRZKR-IUCAKERBSA-N 2 0 245.348 -0.904 10 0 BBAERP C[NH2+]CCN(C)CCN1CC[NH+](C)CC1 ZINC000077306749 173352800 /nfs/dbraw/zinc/35/28/00/173352800.db2.gz MZXWVAHNNGLFSJ-UHFFFAOYSA-N 2 0 214.357 -0.615 10 0 BBAERP C[NH2+]CC[C@@H]1CN(CC[NH+](C)C)C(=O)O1 ZINC000077307411 173358641 /nfs/dbraw/zinc/35/86/41/173358641.db2.gz OLVVPRLSWBKVRI-SECBINFHSA-N 2 0 215.297 -0.022 10 0 BBAERP C[NH2+]CC[C@H]1CN(CC[NH+](C)C)C(=O)O1 ZINC000077307414 173358936 /nfs/dbraw/zinc/35/89/36/173358936.db2.gz OLVVPRLSWBKVRI-VIFPVBQESA-N 2 0 215.297 -0.022 10 0 BBAERP C[NH2+]C[C@@H]1CN(CCC[NH+](C)C)C(=O)O1 ZINC000077307416 173372070 /nfs/dbraw/zinc/37/20/70/173372070.db2.gz FAGFXMQRIDEMGG-SECBINFHSA-N 2 0 215.297 -0.022 10 0 BBAERP C[NH2+]C[C@H]1CN(CCC[NH+](C)C)C(=O)O1 ZINC000077307420 173382440 /nfs/dbraw/zinc/38/24/40/173382440.db2.gz FAGFXMQRIDEMGG-VIFPVBQESA-N 2 0 215.297 -0.022 10 0 BBAERP C[NH+](C)CCCNC1(C(N)=O)CC[NH2+]CC1 ZINC000077342785 172440245 /nfs/dbraw/zinc/44/02/45/172440245.db2.gz MGCGPSAXQSWXNF-UHFFFAOYSA-N 2 0 228.340 -0.865 10 0 BBAERP C[NH+](C)CCCNC(=O)CN1CC[C@H]([NH3+])C1 ZINC000077342788 172438248 /nfs/dbraw/zinc/43/82/48/172438248.db2.gz XFSPQPKDOWUHIB-JTQLQIEISA-N 2 0 228.340 -0.913 10 0 BBAERP O[C@@]1(C[NH2+]CCn2cc(Cl)cn2)CC[NH2+]C1 ZINC000077540883 183215835 /nfs/dbraw/zinc/21/58/35/183215835.db2.gz DZLHJWCBQPZBQH-JTQLQIEISA-N 2 0 244.726 -0.150 10 0 BBAERP O[C@]1(C[NH2+]CCn2cc(Cl)cn2)CC[NH2+]C1 ZINC000077540884 183251287 /nfs/dbraw/zinc/25/12/87/183251287.db2.gz DZLHJWCBQPZBQH-SNVBAGLBSA-N 2 0 244.726 -0.150 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079521202 487641137 /nfs/dbraw/zinc/64/11/37/487641137.db2.gz PUPMJLPKOIWWBA-GFCCVEGCSA-N 2 0 243.351 -0.177 10 0 BBAERP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000082259465 384214110 /nfs/dbraw/zinc/21/41/10/384214110.db2.gz WSFKCYMAYLMPNM-VIFPVBQESA-N 2 0 211.309 -0.146 10 0 BBAERP CC(C)[NH+]1CCN([C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000082524162 566409642 /nfs/dbraw/zinc/40/96/42/566409642.db2.gz DFGMFZKGKRNVOV-GHMZBOCLSA-N 2 0 213.325 -0.655 10 0 BBAERP CC(C)C[NH+]1CCN([C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000082524502 566410147 /nfs/dbraw/zinc/41/01/47/566410147.db2.gz KTVLUCMGMXODOU-VXGBXAGGSA-N 2 0 227.352 -0.407 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC[NH+](C)C ZINC000082558873 368693486 /nfs/dbraw/zinc/69/34/86/368693486.db2.gz KPQVSNZLODACBK-NXEZZACHSA-N 2 0 213.325 -0.090 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000082559440 362060966 /nfs/dbraw/zinc/06/09/66/362060966.db2.gz ZXGCNKGDOWWNBQ-OUAUKWLOSA-N 2 0 225.336 -0.090 10 0 BBAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+](C)C ZINC000082559598 490290354 /nfs/dbraw/zinc/29/03/54/490290354.db2.gz LBXWRTMTASGDIO-OPRDCNLKSA-N 2 0 213.325 -0.092 10 0 BBAERP C[N@@H+]1CCCN(C(=O)C2(C[NH3+])CC2)CC1 ZINC000082641719 173013019 /nfs/dbraw/zinc/01/30/19/173013019.db2.gz JLQLDIZOKBTXGR-UHFFFAOYSA-N 2 0 211.309 -0.111 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH3+])CC2)C1 ZINC000082641745 173043271 /nfs/dbraw/zinc/04/32/71/173043271.db2.gz OVLVTIGOVPNTPM-VIFPVBQESA-N 2 0 211.309 -0.064 10 0 BBAERP C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH3+])CC2)C1 ZINC000082641746 173020478 /nfs/dbraw/zinc/02/04/78/173020478.db2.gz OVLVTIGOVPNTPM-SECBINFHSA-N 2 0 211.309 -0.064 10 0 BBAERP C[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCC2)C1 ZINC000082641747 173150478 /nfs/dbraw/zinc/15/04/78/173150478.db2.gz QMHXIZDPWSYYQX-VIFPVBQESA-N 2 0 211.309 -0.064 10 0 BBAERP C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCC2)C1 ZINC000082641748 173122742 /nfs/dbraw/zinc/12/27/42/173122742.db2.gz QMHXIZDPWSYYQX-SECBINFHSA-N 2 0 211.309 -0.064 10 0 BBAERP C[NH+](C)C1(C(=O)N2CC[NH2+]CC2)CCC1 ZINC000082643683 384515773 /nfs/dbraw/zinc/51/57/73/384515773.db2.gz DFOLLQFMSOZXHZ-UHFFFAOYSA-N 2 0 211.309 -0.098 10 0 BBAERP CC(C)(C(=O)N1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000082654570 487707842 /nfs/dbraw/zinc/70/78/42/487707842.db2.gz ISARZAJEZSTMCB-UHFFFAOYSA-N 2 0 240.351 -0.898 10 0 BBAERP O=C(CSC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000082654872 182008538 /nfs/dbraw/zinc/00/85/38/182008538.db2.gz CNOAUOQNTFRUDG-UHFFFAOYSA-N 2 0 243.376 -0.097 10 0 BBAERP C[C@H](O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000082996763 487696629 /nfs/dbraw/zinc/69/66/29/487696629.db2.gz IUUDNUAXBKYKDW-QWRGUYRKSA-N 2 0 216.325 -0.196 10 0 BBAERP C[C@H](O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000082996766 487769574 /nfs/dbraw/zinc/76/95/74/487769574.db2.gz IUUDNUAXBKYKDW-WDEREUQCSA-N 2 0 216.325 -0.196 10 0 BBAERP CCOCCC[NH2+]CC1C(=O)[O+]=NN1C ZINC000083250892 170380331 /nfs/dbraw/zinc/38/03/31/170380331.db2.gz LUDZIMCCNMMGRI-UHFFFAOYSA-O 2 0 216.261 -0.279 10 0 BBAERP COCCC[NH2+]CC1C(=O)[O+]=NN1C ZINC000083250926 174246775 /nfs/dbraw/zinc/24/67/75/174246775.db2.gz YCDQKYRUURJRKR-UHFFFAOYSA-O 2 0 202.234 -0.669 10 0 BBAERP CCC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000083356306 169389349 /nfs/dbraw/zinc/38/93/49/169389349.db2.gz JCHHJEMKHNYXDY-SNVBAGLBSA-N 2 0 228.340 -0.865 10 0 BBAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])COC ZINC000083356954 398108930 /nfs/dbraw/zinc/10/89/30/398108930.db2.gz CIIMZOBOZNDHMU-ZJUUUORDSA-N 2 0 229.324 -0.439 10 0 BBAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C(CO)CO ZINC000083690765 176278270 /nfs/dbraw/zinc/27/82/70/176278270.db2.gz BSNDBZKSJFOHGQ-KKZNHRDASA-N 2 0 216.325 -0.342 10 0 BBAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C(CO)CO ZINC000083690768 177367878 /nfs/dbraw/zinc/36/78/78/177367878.db2.gz BSNDBZKSJFOHGQ-YWVKMMECSA-N 2 0 216.325 -0.342 10 0 BBAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C(CO)CO ZINC000083690773 176278175 /nfs/dbraw/zinc/27/81/75/176278175.db2.gz BSNDBZKSJFOHGQ-FXPVBKGRSA-N 2 0 216.325 -0.342 10 0 BBAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C(CO)CO ZINC000083690776 177330605 /nfs/dbraw/zinc/33/06/05/177330605.db2.gz BSNDBZKSJFOHGQ-WCABBAIRSA-N 2 0 216.325 -0.342 10 0 BBAERP C[C@H](CNC(=O)[C@@H]1COCCN1)[NH+](C)C ZINC000083872943 136286698 /nfs/dbraw/zinc/28/66/98/136286698.db2.gz FTIJBSXLLASWJW-BDAKNGLRSA-N 2 0 215.297 -0.959 10 0 BBAERP C[C@@H](CNC(=O)[C@H]1COCCN1)[NH+](C)C ZINC000083872945 136286789 /nfs/dbraw/zinc/28/67/89/136286789.db2.gz FTIJBSXLLASWJW-DTWKUNHWSA-N 2 0 215.297 -0.959 10 0 BBAERP C[C@H](CNC(=O)[C@H]1COCCN1)[NH+](C)C ZINC000083872947 136286511 /nfs/dbraw/zinc/28/65/11/136286511.db2.gz FTIJBSXLLASWJW-RKDXNWHRSA-N 2 0 215.297 -0.959 10 0 BBAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1COCCN1 ZINC000083873516 384807584 /nfs/dbraw/zinc/80/75/84/384807584.db2.gz QFWQHIIWECXFDV-SNVBAGLBSA-N 2 0 229.324 -0.569 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000084309465 487705258 /nfs/dbraw/zinc/70/52/58/487705258.db2.gz YHIVLLJJOXSENV-NXEZZACHSA-N 2 0 211.309 -0.207 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000084309467 488043972 /nfs/dbraw/zinc/04/39/72/488043972.db2.gz YHIVLLJJOXSENV-VHSXEESVSA-N 2 0 211.309 -0.207 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000084309470 488043887 /nfs/dbraw/zinc/04/38/87/488043887.db2.gz YHIVLLJJOXSENV-ZJUUUORDSA-N 2 0 211.309 -0.207 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000084309472 488043899 /nfs/dbraw/zinc/04/38/99/488043899.db2.gz YHIVLLJJOXSENV-UWVGGRQHSA-N 2 0 211.309 -0.207 10 0 BBAERP O=C(NCC[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000084411286 135471339 /nfs/dbraw/zinc/47/13/39/135471339.db2.gz UYMPVNRTXSBLSS-UHFFFAOYSA-N 2 0 211.309 -0.192 10 0 BBAERP C[NH+](C)[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000084420047 135249486 /nfs/dbraw/zinc/24/94/86/135249486.db2.gz MHDMLYVKHRGGKP-SNVBAGLBSA-N 2 0 211.309 -0.242 10 0 BBAERP C[NH+](C)[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000084420049 135249347 /nfs/dbraw/zinc/24/93/47/135249347.db2.gz MHDMLYVKHRGGKP-JTQLQIEISA-N 2 0 211.309 -0.242 10 0 BBAERP C[NH+](C)[C@@H]1CCCN(CC[C@H]([NH3+])C(N)=O)C1 ZINC000084420745 538533106 /nfs/dbraw/zinc/53/31/06/538533106.db2.gz ZGEAMABHFOBHMZ-ZJUUUORDSA-N 2 0 228.340 -0.785 10 0 BBAERP C[NH+](C)[C@H]1CCCN(CC[C@H]([NH3+])C(N)=O)C1 ZINC000084420746 538532064 /nfs/dbraw/zinc/53/20/64/538532064.db2.gz ZGEAMABHFOBHMZ-UWVGGRQHSA-N 2 0 228.340 -0.785 10 0 BBAERP O[C@H](C[NH2+]CC1CC(O)C1)C[NH+]1CCCC1 ZINC000084449441 384623038 /nfs/dbraw/zinc/62/30/38/384623038.db2.gz SYDOGPNVHNLUSA-HTAVTVPLSA-N 2 0 228.336 -0.196 10 0 BBAERP O[C@@H](C[NH2+]CC1CC(O)C1)C[NH+]1CCCC1 ZINC000084449443 384623591 /nfs/dbraw/zinc/62/35/91/384623591.db2.gz SYDOGPNVHNLUSA-MCIGGMRASA-N 2 0 228.336 -0.196 10 0 BBAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000085010337 343462604 /nfs/dbraw/zinc/46/26/04/343462604.db2.gz JEVVTYHHWKIOIE-ZJUUUORDSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000085010340 343462557 /nfs/dbraw/zinc/46/25/57/343462557.db2.gz JEVVTYHHWKIOIE-UWVGGRQHSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000085010343 368860713 /nfs/dbraw/zinc/86/07/13/368860713.db2.gz JEVVTYHHWKIOIE-NXEZZACHSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000085010345 368860177 /nfs/dbraw/zinc/86/01/77/368860177.db2.gz JEVVTYHHWKIOIE-VHSXEESVSA-N 2 0 211.309 -0.064 10 0 BBAERP C[C@@H]1C[n+]2cnc(N3CC[NH2+]CC3)cc2N1 ZINC000085347708 384938018 /nfs/dbraw/zinc/93/80/18/384938018.db2.gz ISIJFCLXZRCKHP-SECBINFHSA-O 2 0 220.300 -0.407 10 0 BBAERP C[C@H]1C[n+]2cnc(N3CC[NH2+]CC3)cc2N1 ZINC000085347710 384938353 /nfs/dbraw/zinc/93/83/53/384938353.db2.gz ISIJFCLXZRCKHP-VIFPVBQESA-O 2 0 220.300 -0.407 10 0 BBAERP C[C@@H]1CNc2cc(N3CC[NH2+]CC3)nc[n+]21 ZINC000085347712 132426592 /nfs/dbraw/zinc/42/65/92/132426592.db2.gz MFWZWMYQFDASPE-SECBINFHSA-O 2 0 220.300 -0.235 10 0 BBAERP C[C@H]1CNc2cc(N3CC[NH2+]CC3)nc[n+]21 ZINC000085347714 384937806 /nfs/dbraw/zinc/93/78/06/384937806.db2.gz MFWZWMYQFDASPE-VIFPVBQESA-O 2 0 220.300 -0.235 10 0 BBAERP CC[C@@H]1C[n+]2cnc(N3CC[NH2+]CC3)cc2N1 ZINC000085347777 384939711 /nfs/dbraw/zinc/93/97/11/384939711.db2.gz GQNUSGGRIMOHTI-SNVBAGLBSA-O 2 0 234.327 -0.017 10 0 BBAERP CC[C@H]1C[n+]2cnc(N3CC[NH2+]CC3)cc2N1 ZINC000085347779 384939297 /nfs/dbraw/zinc/93/92/97/384939297.db2.gz GQNUSGGRIMOHTI-JTQLQIEISA-O 2 0 234.327 -0.017 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085374469 134343358 /nfs/dbraw/zinc/34/33/58/134343358.db2.gz QIQCIAJOXWWCLS-QWRGUYRKSA-N 2 0 243.351 -0.192 10 0 BBAERP COCC[NH2+]CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000086158268 387516160 /nfs/dbraw/zinc/51/61/60/387516160.db2.gz OUVAKIWSEITBRL-SNVBAGLBSA-N 2 0 229.324 -0.615 10 0 BBAERP COCC[NH2+]CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000086158269 387514851 /nfs/dbraw/zinc/51/48/51/387514851.db2.gz OUVAKIWSEITBRL-JTQLQIEISA-N 2 0 229.324 -0.615 10 0 BBAERP [NH3+]CCOCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086434566 487504295 /nfs/dbraw/zinc/50/42/95/487504295.db2.gz XKLPKUUVIMTFMP-SNVBAGLBSA-N 2 0 227.308 -0.732 10 0 BBAERP [NH3+]CCOCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000086434567 487504061 /nfs/dbraw/zinc/50/40/61/487504061.db2.gz XKLPKUUVIMTFMP-JTQLQIEISA-N 2 0 227.308 -0.732 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000086434992 487506056 /nfs/dbraw/zinc/50/60/56/487506056.db2.gz FMDBTYSJOCDABY-SECBINFHSA-N 2 0 215.297 -0.876 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000086434993 487506124 /nfs/dbraw/zinc/50/61/24/487506124.db2.gz FMDBTYSJOCDABY-VIFPVBQESA-N 2 0 215.297 -0.876 10 0 BBAERP C[NH+](C)[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000086435731 487506987 /nfs/dbraw/zinc/50/69/87/487506987.db2.gz SMISAUPLDJULEB-SNVBAGLBSA-N 2 0 201.314 -0.402 10 0 BBAERP C[NH+](C)[C@H]1CCN(CCOCC[NH3+])C1 ZINC000086435733 487507116 /nfs/dbraw/zinc/50/71/16/487507116.db2.gz SMISAUPLDJULEB-JTQLQIEISA-N 2 0 201.314 -0.402 10 0 BBAERP C([C@@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086932578 487588897 /nfs/dbraw/zinc/58/88/97/487588897.db2.gz XDRRRVJCIXSEFC-NEPJUHHUSA-N 2 0 225.336 -0.245 10 0 BBAERP C([C@@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000086932581 487588212 /nfs/dbraw/zinc/58/82/12/487588212.db2.gz XDRRRVJCIXSEFC-RYUDHWBXSA-N 2 0 225.336 -0.245 10 0 BBAERP [NH3+]CCOCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086932942 384720581 /nfs/dbraw/zinc/72/05/81/384720581.db2.gz NGRKYBXXKOZUKX-LLVKDONJSA-N 2 0 213.325 -0.258 10 0 BBAERP [NH3+]CCOCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000086932943 384719845 /nfs/dbraw/zinc/71/98/45/384719845.db2.gz NGRKYBXXKOZUKX-NSHDSACASA-N 2 0 213.325 -0.258 10 0 BBAERP C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000087471805 366599153 /nfs/dbraw/zinc/59/91/53/366599153.db2.gz RXOHMLMWBBFYJP-NXEZZACHSA-N 2 0 213.325 -0.090 10 0 BBAERP CC(C)(C(=O)NCCC[NH3+])N1CC[NH2+]CC1 ZINC000087638916 383855757 /nfs/dbraw/zinc/85/57/57/383855757.db2.gz NIKQHCRKXZMSPZ-UHFFFAOYSA-N 2 0 228.340 -0.865 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000088002537 343689700 /nfs/dbraw/zinc/68/97/00/343689700.db2.gz BOLQWKWMUUMXCN-SECBINFHSA-N 2 0 215.297 -0.876 10 0 BBAERP COC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000088002796 641222513 /nfs/dbraw/zinc/22/25/13/641222513.db2.gz JUPYFISXVFHKOP-VIFPVBQESA-N 2 0 215.297 -0.828 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000088002797 641145510 /nfs/dbraw/zinc/14/55/10/641145510.db2.gz JUPYFISXVFHKOP-SECBINFHSA-N 2 0 215.297 -0.828 10 0 BBAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])COC)C1 ZINC000088003139 136282537 /nfs/dbraw/zinc/28/25/37/136282537.db2.gz OJXFWWNNLLGOIY-NXEZZACHSA-N 2 0 229.324 -0.582 10 0 BBAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])COC)C1 ZINC000088003140 136282553 /nfs/dbraw/zinc/28/25/53/136282553.db2.gz OJXFWWNNLLGOIY-VHSXEESVSA-N 2 0 229.324 -0.582 10 0 BBAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])COC)C1 ZINC000088003594 351508934 /nfs/dbraw/zinc/50/89/34/351508934.db2.gz RHRZVTISHBQTPO-VHSXEESVSA-N 2 0 229.324 -0.439 10 0 BBAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])COC)C1 ZINC000088003595 351509006 /nfs/dbraw/zinc/50/90/06/351509006.db2.gz RHRZVTISHBQTPO-NXEZZACHSA-N 2 0 229.324 -0.439 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000088003838 351508213 /nfs/dbraw/zinc/50/82/13/351508213.db2.gz GAEDTEVJUOYGPR-SNVBAGLBSA-N 2 0 229.324 -0.438 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088003919 136282856 /nfs/dbraw/zinc/28/28/56/136282856.db2.gz PZPUQVJKIURRQA-SCZZXKLOSA-N 2 0 227.308 -0.687 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088003920 536667076 /nfs/dbraw/zinc/66/70/76/536667076.db2.gz PZPUQVJKIURRQA-PSASIEDQSA-N 2 0 227.308 -0.687 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088003921 136282718 /nfs/dbraw/zinc/28/27/18/136282718.db2.gz PZPUQVJKIURRQA-WPRPVWTQSA-N 2 0 227.308 -0.687 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088003922 536670102 /nfs/dbraw/zinc/67/01/02/536670102.db2.gz PZPUQVJKIURRQA-WCBMZHEXSA-N 2 0 227.308 -0.687 10 0 BBAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])COC ZINC000088003988 535576329 /nfs/dbraw/zinc/57/63/29/535576329.db2.gz TXYXMVMXROKTBT-NXEZZACHSA-N 2 0 231.340 -0.193 10 0 BBAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])COC ZINC000088003989 136282793 /nfs/dbraw/zinc/28/27/93/136282793.db2.gz TXYXMVMXROKTBT-VHSXEESVSA-N 2 0 231.340 -0.193 10 0 BBAERP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])COC ZINC000088003992 362819891 /nfs/dbraw/zinc/81/98/91/362819891.db2.gz VZLAPZQQEKXJNI-SNVBAGLBSA-N 2 0 231.340 -0.240 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000088004185 362819567 /nfs/dbraw/zinc/81/95/67/362819567.db2.gz HJQYWBUAXGNMCK-VHSXEESVSA-N 2 0 229.324 -0.487 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000088004186 362819414 /nfs/dbraw/zinc/81/94/14/362819414.db2.gz HJQYWBUAXGNMCK-NXEZZACHSA-N 2 0 229.324 -0.487 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000088004187 362819601 /nfs/dbraw/zinc/81/96/01/362819601.db2.gz HJQYWBUAXGNMCK-UWVGGRQHSA-N 2 0 229.324 -0.487 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000088004188 362819342 /nfs/dbraw/zinc/81/93/42/362819342.db2.gz HJQYWBUAXGNMCK-ZJUUUORDSA-N 2 0 229.324 -0.487 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000088004225 136283263 /nfs/dbraw/zinc/28/32/63/136283263.db2.gz YTCNROSWRRGRIA-SECBINFHSA-N 2 0 215.297 -0.830 10 0 BBAERP COC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000088004226 536861728 /nfs/dbraw/zinc/86/17/28/536861728.db2.gz YTCNROSWRRGRIA-VIFPVBQESA-N 2 0 215.297 -0.830 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000088004249 536658781 /nfs/dbraw/zinc/65/87/81/536658781.db2.gz BHOSKFFGHPBXKG-RKDXNWHRSA-N 2 0 215.297 -0.877 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000088004250 136283552 /nfs/dbraw/zinc/28/35/52/136283552.db2.gz BHOSKFFGHPBXKG-DTWKUNHWSA-N 2 0 215.297 -0.877 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000088004251 136283464 /nfs/dbraw/zinc/28/34/64/136283464.db2.gz BHOSKFFGHPBXKG-BDAKNGLRSA-N 2 0 215.297 -0.877 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000088004252 136283492 /nfs/dbraw/zinc/28/34/92/136283492.db2.gz BHOSKFFGHPBXKG-IUCAKERBSA-N 2 0 215.297 -0.877 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000088004828 351510835 /nfs/dbraw/zinc/51/08/35/351510835.db2.gz RMUBUTDNPWHLQU-NXEZZACHSA-N 2 0 229.324 -0.487 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000088004829 351510898 /nfs/dbraw/zinc/51/08/98/351510898.db2.gz RMUBUTDNPWHLQU-VHSXEESVSA-N 2 0 229.324 -0.487 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000088004830 351510432 /nfs/dbraw/zinc/51/04/32/351510432.db2.gz RMUBUTDNPWHLQU-ZJUUUORDSA-N 2 0 229.324 -0.487 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000088004831 351510974 /nfs/dbraw/zinc/51/09/74/351510974.db2.gz RMUBUTDNPWHLQU-UWVGGRQHSA-N 2 0 229.324 -0.487 10 0 BBAERP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])COC ZINC000088005070 343688394 /nfs/dbraw/zinc/68/83/94/343688394.db2.gz KUTKEKBXYCYQKP-MRVPVSSYSA-N 2 0 203.286 -0.972 10 0 BBAERP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])COC ZINC000088005071 343688412 /nfs/dbraw/zinc/68/84/12/343688412.db2.gz KUTKEKBXYCYQKP-QMMMGPOBSA-N 2 0 203.286 -0.972 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091312048 369008660 /nfs/dbraw/zinc/00/86/60/369008660.db2.gz LHUCIFQCYHAXKJ-GHMZBOCLSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000091312050 369009450 /nfs/dbraw/zinc/00/94/50/369009450.db2.gz LHUCIFQCYHAXKJ-WDEREUQCSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000091312053 369009160 /nfs/dbraw/zinc/00/91/60/369009160.db2.gz LHUCIFQCYHAXKJ-MNOVXSKESA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000091312055 369009484 /nfs/dbraw/zinc/00/94/84/369009484.db2.gz LHUCIFQCYHAXKJ-QWRGUYRKSA-N 2 0 241.335 -0.473 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548572 174276800 /nfs/dbraw/zinc/27/68/00/174276800.db2.gz JNVMHEJLMYHOOA-MNOVXSKESA-N 2 0 243.351 -0.192 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548574 174277346 /nfs/dbraw/zinc/27/73/46/174277346.db2.gz JNVMHEJLMYHOOA-QWRGUYRKSA-N 2 0 243.351 -0.192 10 0 BBAERP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668421 631541859 /nfs/dbraw/zinc/54/18/59/631541859.db2.gz ICAICLPNQGIEKW-GMTAPVOTSA-N 2 0 241.335 -0.426 10 0 BBAERP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091668423 631543487 /nfs/dbraw/zinc/54/34/87/631543487.db2.gz ICAICLPNQGIEKW-MXWKQRLJSA-N 2 0 241.335 -0.426 10 0 BBAERP CN1CCO[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000091669231 343669547 /nfs/dbraw/zinc/66/95/47/343669547.db2.gz QEGTVNCLIIJYNB-JQWIXIFHSA-N 2 0 241.335 -0.567 10 0 BBAERP CC[N@@H+]1CCC[C@H](NC(=O)C[NH2+]CCOC)C1 ZINC000092509446 636043521 /nfs/dbraw/zinc/04/35/21/636043521.db2.gz KDRMNUBGUPQYQL-NSHDSACASA-N 2 0 243.351 -0.177 10 0 BBAERP [NH3+]CCOCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000093231505 488145930 /nfs/dbraw/zinc/14/59/30/488145930.db2.gz BNEIZWODIZFPTJ-NSHDSACASA-N 2 0 241.335 -0.342 10 0 BBAERP [NH3+]CCOCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093231506 488145709 /nfs/dbraw/zinc/14/57/09/488145709.db2.gz BNEIZWODIZFPTJ-LLVKDONJSA-N 2 0 241.335 -0.342 10 0 BBAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COCC[NH3+] ZINC000093232430 488147113 /nfs/dbraw/zinc/14/71/13/488147113.db2.gz FIESAMYMEFRNLE-LLVKDONJSA-N 2 0 243.351 -0.096 10 0 BBAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COCC[NH3+] ZINC000093232431 488146997 /nfs/dbraw/zinc/14/69/97/488146997.db2.gz FIESAMYMEFRNLE-NSHDSACASA-N 2 0 243.351 -0.096 10 0 BBAERP [NH3+]CCOCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000093232481 188049964 /nfs/dbraw/zinc/04/99/64/188049964.db2.gz HGDVAPNJHDLBDT-GFCCVEGCSA-N 2 0 243.351 -0.632 10 0 BBAERP [NH3+]CCOCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000093232482 181399366 /nfs/dbraw/zinc/39/93/66/181399366.db2.gz HGDVAPNJHDLBDT-LBPRGKRZSA-N 2 0 243.351 -0.632 10 0 BBAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COCC[NH3+] ZINC000094459963 487536854 /nfs/dbraw/zinc/53/68/54/487536854.db2.gz JLUVZHNDGOVKOH-GHMZBOCLSA-N 2 0 241.335 -0.343 10 0 BBAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COCC[NH3+] ZINC000094459964 487537203 /nfs/dbraw/zinc/53/72/03/487537203.db2.gz JLUVZHNDGOVKOH-WDEREUQCSA-N 2 0 241.335 -0.343 10 0 BBAERP C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000094460839 487536834 /nfs/dbraw/zinc/53/68/34/487536834.db2.gz IEZSVZXYESDMSU-CYBMUJFWSA-N 2 0 238.379 -0.328 10 0 BBAERP C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000094460840 487537092 /nfs/dbraw/zinc/53/70/92/487537092.db2.gz IEZSVZXYESDMSU-ZDUSSCGKSA-N 2 0 238.379 -0.328 10 0 BBAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094567241 173144665 /nfs/dbraw/zinc/14/46/65/173144665.db2.gz DBPBOCURSYBRLC-MXWKQRLJSA-N 2 0 241.335 -0.439 10 0 BBAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094567242 173114971 /nfs/dbraw/zinc/11/49/71/173114971.db2.gz DBPBOCURSYBRLC-AXFHLTTASA-N 2 0 241.335 -0.439 10 0 BBAERP C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH3+])CC2 ZINC000095075616 173003485 /nfs/dbraw/zinc/00/34/85/173003485.db2.gz JUHYWXMBXURUFR-UHFFFAOYSA-N 2 0 211.309 -0.111 10 0 BBAERP C[NH+]1CCC2(CCN(C(=O)C[NH3+])C2)CC1 ZINC000095075644 173001143 /nfs/dbraw/zinc/00/11/43/173001143.db2.gz IHEYRFKUKPLJFU-UHFFFAOYSA-N 2 0 211.309 -0.111 10 0 BBAERP [NH3+]CC(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000095077526 181349971 /nfs/dbraw/zinc/34/99/71/181349971.db2.gz STYLRZUWEUFPDY-MWLCHTKSSA-N 2 0 211.309 -0.077 10 0 BBAERP [NH3+]CC(=O)N1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000095077527 181349844 /nfs/dbraw/zinc/34/98/44/181349844.db2.gz STYLRZUWEUFPDY-KOLCDFICSA-N 2 0 211.309 -0.077 10 0 BBAERP [NH3+]CC(=O)N1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095077528 181350650 /nfs/dbraw/zinc/35/06/50/181350650.db2.gz STYLRZUWEUFPDY-GXSJLCMTSA-N 2 0 211.309 -0.077 10 0 BBAERP [NH3+]CC(=O)N1CC[C@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095077529 181349471 /nfs/dbraw/zinc/34/94/71/181349471.db2.gz STYLRZUWEUFPDY-ONGXEEELSA-N 2 0 211.309 -0.077 10 0 BBAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]2)C1 ZINC000095088025 187287216 /nfs/dbraw/zinc/28/72/16/187287216.db2.gz OUGIGYPWDHFZKI-GXSJLCMTSA-N 2 0 211.309 -0.066 10 0 BBAERP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]2)C1 ZINC000095088026 384359685 /nfs/dbraw/zinc/35/96/85/384359685.db2.gz OUGIGYPWDHFZKI-MWLCHTKSSA-N 2 0 211.309 -0.066 10 0 BBAERP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]2)C1 ZINC000095088027 384360511 /nfs/dbraw/zinc/36/05/11/384360511.db2.gz OUGIGYPWDHFZKI-ONGXEEELSA-N 2 0 211.309 -0.066 10 0 BBAERP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]2)C1 ZINC000095088028 384360217 /nfs/dbraw/zinc/36/02/17/384360217.db2.gz OUGIGYPWDHFZKI-KOLCDFICSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]([NH3+])C(=O)N1CCC2(CC(C[NH3+])C2)C1 ZINC000095088862 384361518 /nfs/dbraw/zinc/36/15/18/384361518.db2.gz DPXMWLOWPZJWSA-SILCLGDVSA-N 2 0 211.309 -0.079 10 0 BBAERP C[C@@H]([NH3+])C(=O)N1CCC2(CC(C[NH3+])C2)C1 ZINC000095088863 384361271 /nfs/dbraw/zinc/36/12/71/384361271.db2.gz DPXMWLOWPZJWSA-FKTRJACZSA-N 2 0 211.309 -0.079 10 0 BBAERP C[NH+](C)C[C@H]1CO[C@](C)(C[NH+](C)C)[C@H]1O ZINC000100307867 172496955 /nfs/dbraw/zinc/49/69/55/172496955.db2.gz QPPJWHSBSSEEGG-GARJFASQSA-N 2 0 216.325 -0.124 10 0 BBAERP C[NH+](C)C[C@H]1CO[C@](C)(C[NH+](C)C)[C@@H]1O ZINC000100307871 384634594 /nfs/dbraw/zinc/63/45/94/384634594.db2.gz QPPJWHSBSSEEGG-HBNTYKKESA-N 2 0 216.325 -0.124 10 0 BBAERP C[NH+](C)C[C@H]1CO[C@@](C)(C[NH+](C)C)[C@H]1O ZINC000100307875 384633711 /nfs/dbraw/zinc/63/37/11/384633711.db2.gz QPPJWHSBSSEEGG-DCAQKATOSA-N 2 0 216.325 -0.124 10 0 BBAERP C[NH+](C)C[C@H]1CO[C@@](C)(C[NH+](C)C)[C@@H]1O ZINC000100307881 384633283 /nfs/dbraw/zinc/63/32/83/384633283.db2.gz QPPJWHSBSSEEGG-AXFHLTTASA-N 2 0 216.325 -0.124 10 0 BBAERP CNC(=O)CC[NH+]1CCN(C(C)(C)C[NH3+])CC1 ZINC000104059903 173254147 /nfs/dbraw/zinc/25/41/47/173254147.db2.gz MBXHBZVNEWWONP-UHFFFAOYSA-N 2 0 242.367 -0.523 10 0 BBAERP CC[NH2+][C@@H](CN1CC[N@H+](CC)[C@H](C)C1)C(N)=O ZINC000104127304 170145156 /nfs/dbraw/zinc/14/51/56/170145156.db2.gz NLEAAZCDXBPNEA-MNOVXSKESA-N 2 0 242.367 -0.524 10 0 BBAERP CC[NH2+][C@H](CN1CC[N@H+](CC)[C@H](C)C1)C(N)=O ZINC000104127307 170162497 /nfs/dbraw/zinc/16/24/97/170162497.db2.gz NLEAAZCDXBPNEA-GHMZBOCLSA-N 2 0 242.367 -0.524 10 0 BBAERP C[N@@H+]1CCN(CC[C@](C)([NH3+])C(N)=O)CC1(C)C ZINC000104127330 173081507 /nfs/dbraw/zinc/08/15/07/173081507.db2.gz YJSDDYVNYFGQLP-LBPRGKRZSA-N 2 0 242.367 -0.395 10 0 BBAERP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1(C)C ZINC000104127491 173069133 /nfs/dbraw/zinc/06/91/33/173069133.db2.gz DNMFSPSFGATNBU-JTQLQIEISA-N 2 0 240.351 -0.900 10 0 BBAERP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCN2)CC1(C)C ZINC000104127496 173071146 /nfs/dbraw/zinc/07/11/46/173071146.db2.gz DNMFSPSFGATNBU-SNVBAGLBSA-N 2 0 240.351 -0.900 10 0 BBAERP CC[C@@H]1CN(CCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000104144246 171082091 /nfs/dbraw/zinc/08/20/91/171082091.db2.gz HAIOJBZTHIWKKF-CYBMUJFWSA-N 2 0 240.395 -0.082 10 0 BBAERP CC[NH2+][C@@](C)(CN1CC[N@H+](C)[C@H](C)C1)C(N)=O ZINC000104144373 170155089 /nfs/dbraw/zinc/15/50/89/170155089.db2.gz FBOKDYGBWWOVQP-PWSUYJOCSA-N 2 0 242.367 -0.524 10 0 BBAERP CC[NH2+][C@](C)(CN1CC[N@H+](C)[C@H](C)C1)C(N)=O ZINC000104144376 170170161 /nfs/dbraw/zinc/17/01/61/170170161.db2.gz FBOKDYGBWWOVQP-ZYHUDNBSSA-N 2 0 242.367 -0.524 10 0 BBAERP CCC[C@@H](C[NH3+])N1CC[NH+](CCC(N)=O)CC1 ZINC000104152772 169383637 /nfs/dbraw/zinc/38/36/37/169383637.db2.gz ACRNELAXHDYLFX-NSHDSACASA-N 2 0 242.367 -0.393 10 0 BBAERP CC(C)[NH2+][C@@H](CN(C)CCC[NH+](C)C)C(N)=O ZINC000104192351 167132439 /nfs/dbraw/zinc/13/24/39/167132439.db2.gz MFYKSIZFTNLLHI-NSHDSACASA-N 2 0 244.383 -0.278 10 0 BBAERP CC(C)[NH2+][C@H](CN(C)CCC[NH+](C)C)C(N)=O ZINC000104192353 167141016 /nfs/dbraw/zinc/14/10/16/167141016.db2.gz MFYKSIZFTNLLHI-LLVKDONJSA-N 2 0 244.383 -0.278 10 0 BBAERP CC(C)[NH2+][C@@H](CCN(C)CC[NH+](C)C)C(N)=O ZINC000104197067 167132323 /nfs/dbraw/zinc/13/23/23/167132323.db2.gz NIDAGZYQGOCRJJ-NSHDSACASA-N 2 0 244.383 -0.278 10 0 BBAERP CC(C)[NH2+][C@H](CCN(C)CC[NH+](C)C)C(N)=O ZINC000104197069 167138856 /nfs/dbraw/zinc/13/88/56/167138856.db2.gz NIDAGZYQGOCRJJ-LLVKDONJSA-N 2 0 244.383 -0.278 10 0 BBAERP CCC[NH2+][C@](C)(CN(C)CC[NH+](C)C)C(N)=O ZINC000104199517 169293556 /nfs/dbraw/zinc/29/35/56/169293556.db2.gz QJXNFMPWESJAJW-GFCCVEGCSA-N 2 0 244.383 -0.277 10 0 BBAERP C[NH2+]Cc1cn(CCN(C)CC[NH+](C)C)nn1 ZINC000104203307 173391877 /nfs/dbraw/zinc/39/18/77/173391877.db2.gz UAVYBYPSWDEGFC-UHFFFAOYSA-N 2 0 240.355 -0.509 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CCOCC1 ZINC000104223836 176330340 /nfs/dbraw/zinc/33/03/40/176330340.db2.gz OCCPOQVOAZHHSN-GHMZBOCLSA-N 2 0 241.335 -0.710 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1nccn1C ZINC000104225671 176330334 /nfs/dbraw/zinc/33/03/34/176330334.db2.gz KIVRERYZTYZEKE-NXEZZACHSA-N 2 0 236.319 -0.066 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104227268 174277040 /nfs/dbraw/zinc/27/70/40/174277040.db2.gz SGSQLBSMVDXJFL-MNOVXSKESA-N 2 0 243.351 -0.464 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104227272 174276957 /nfs/dbraw/zinc/27/69/57/174276957.db2.gz SGSQLBSMVDXJFL-QWRGUYRKSA-N 2 0 243.351 -0.464 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104227276 174278140 /nfs/dbraw/zinc/27/81/40/174278140.db2.gz SGSQLBSMVDXJFL-GHMZBOCLSA-N 2 0 243.351 -0.464 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104227280 174277451 /nfs/dbraw/zinc/27/74/51/174277451.db2.gz SGSQLBSMVDXJFL-WDEREUQCSA-N 2 0 243.351 -0.464 10 0 BBAERP COC(C[NH2+]CCCN1CC[NH+](C)CC1)OC ZINC000104242543 410930489 /nfs/dbraw/zinc/93/04/89/410930489.db2.gz SZERIYJFWWHPJA-UHFFFAOYSA-N 2 0 245.367 -0.168 10 0 BBAERP C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000104388334 173151108 /nfs/dbraw/zinc/15/11/08/173151108.db2.gz RGCHHQDNEGSZEC-JTQLQIEISA-N 2 0 241.335 -0.425 10 0 BBAERP C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000104388337 173121285 /nfs/dbraw/zinc/12/12/85/173121285.db2.gz RGCHHQDNEGSZEC-SNVBAGLBSA-N 2 0 241.335 -0.425 10 0 BBAERP COCC[NH2+]CC1CC[NH+](CCC(N)=O)CC1 ZINC000104417173 174332364 /nfs/dbraw/zinc/33/23/64/174332364.db2.gz LSTAOBHGLNJKMF-UHFFFAOYSA-N 2 0 243.351 -0.190 10 0 BBAERP [NH3+]CC1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000104899710 181365511 /nfs/dbraw/zinc/36/55/11/181365511.db2.gz KZSDBDIINZSKNC-MRVPVSSYSA-N 2 0 211.265 -0.928 10 0 BBAERP C[C@H]1CCC[N@H+](C[C@@H](O)CN2CC[NH2+]CC2)C1 ZINC000108015205 177099486 /nfs/dbraw/zinc/09/94/86/177099486.db2.gz UNESPBDLVCUJDC-STQMWFEESA-N 2 0 241.379 -0.016 10 0 BBAERP CN1CCN(C2CC[NH2+]CC2)CCC1=O ZINC000108356386 368572064 /nfs/dbraw/zinc/57/20/64/368572064.db2.gz BZULPEBZSJTJQS-UHFFFAOYSA-N 2 0 211.309 -0.098 10 0 BBAERP C[NH+](C)CCOCC[N@H+](C)CCC[NH3+] ZINC000118880568 343060520 /nfs/dbraw/zinc/06/05/20/343060520.db2.gz DNRUQHYIUPKPOQ-UHFFFAOYSA-N 3 0 203.330 -0.155 10 0 BBAERP C[C@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CCC[NH2+]1 ZINC000118987487 343064961 /nfs/dbraw/zinc/06/49/61/343064961.db2.gz NMJKHOXYNXBIAX-GXSJLCMTSA-N 2 0 211.309 -0.018 10 0 BBAERP C[C@@]1(C(=O)N[C@@H](C[NH3+])C2CC2)CCC[NH2+]1 ZINC000118987612 343065261 /nfs/dbraw/zinc/06/52/61/343065261.db2.gz NMJKHOXYNXBIAX-ONGXEEELSA-N 2 0 211.309 -0.018 10 0 BBAERP C[C@]1(C(=O)N[C@H](C[NH3+])C2CC2)CCC[NH2+]1 ZINC000118987732 343065009 /nfs/dbraw/zinc/06/50/09/343065009.db2.gz NMJKHOXYNXBIAX-MWLCHTKSSA-N 2 0 211.309 -0.018 10 0 BBAERP C[C@@]1(C(=O)N[C@H](C[NH3+])C2CC2)CCC[NH2+]1 ZINC000118987833 343065049 /nfs/dbraw/zinc/06/50/49/343065049.db2.gz NMJKHOXYNXBIAX-KOLCDFICSA-N 2 0 211.309 -0.018 10 0 BBAERP COc1cc(N2CCN(C)C[C@H]2C[NH3+])ncn1 ZINC000122822520 343161012 /nfs/dbraw/zinc/16/10/12/343161012.db2.gz DBHYARLVKLMGCY-SECBINFHSA-N 2 0 237.307 -0.436 10 0 BBAERP COc1ccnc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000122826056 343161119 /nfs/dbraw/zinc/16/11/19/343161119.db2.gz NCGGSOVIADEOJC-SECBINFHSA-N 2 0 237.307 -0.436 10 0 BBAERP C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@@H]1[NH+](C)C ZINC000124189048 388660694 /nfs/dbraw/zinc/66/06/94/388660694.db2.gz RVGTWRUQZWRBPC-OLZOCXBDSA-N 2 0 240.395 -0.227 10 0 BBAERP C[C@H]1CN(CCN2CC[NH2+]CC2)C[C@@H]1[NH+](C)C ZINC000124189242 388661457 /nfs/dbraw/zinc/66/14/57/388661457.db2.gz RVGTWRUQZWRBPC-STQMWFEESA-N 2 0 240.395 -0.227 10 0 BBAERP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH+](C)C ZINC000124192401 631267230 /nfs/dbraw/zinc/26/72/30/631267230.db2.gz ASZGAPDHVFXYOG-WOPDTQHZSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1CN(CCOCC[NH3+])C[C@@H]1[NH+](C)C ZINC000124293550 176292611 /nfs/dbraw/zinc/29/26/11/176292611.db2.gz RVVZQWFPFOZOTK-MNOVXSKESA-N 2 0 215.341 -0.156 10 0 BBAERP C[C@H]1CN(CCOCC[NH3+])C[C@@H]1[NH+](C)C ZINC000124293790 177252340 /nfs/dbraw/zinc/25/23/40/177252340.db2.gz RVVZQWFPFOZOTK-QWRGUYRKSA-N 2 0 215.341 -0.156 10 0 BBAERP COCC[N@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000124352925 174293606 /nfs/dbraw/zinc/29/36/06/174293606.db2.gz HWBPSXUSGDVCHI-LLVKDONJSA-N 2 0 216.325 -0.073 10 0 BBAERP COCC[N@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000124353183 174294087 /nfs/dbraw/zinc/29/40/87/174294087.db2.gz HWBPSXUSGDVCHI-NSHDSACASA-N 2 0 216.325 -0.073 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000124576233 176325330 /nfs/dbraw/zinc/32/53/30/176325330.db2.gz GWQALCLDYDLQBG-ZJUUUORDSA-N 2 0 211.309 -0.194 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000124716962 411315179 /nfs/dbraw/zinc/31/51/79/411315179.db2.gz MMXKRHODPWWEOX-BBBLOLIVSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000124717160 411315188 /nfs/dbraw/zinc/31/51/88/411315188.db2.gz MMXKRHODPWWEOX-UTLUCORTSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000124717396 411315219 /nfs/dbraw/zinc/31/52/19/411315219.db2.gz MMXKRHODPWWEOX-OPRDCNLKSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000124717630 411314751 /nfs/dbraw/zinc/31/47/51/411314751.db2.gz MMXKRHODPWWEOX-KXUCPTDWSA-N 2 0 211.309 -0.066 10 0 BBAERP COC(=O)CC[NH+]1CCN(CC[NH3+])CC1 ZINC000125307243 343173158 /nfs/dbraw/zinc/17/31/58/343173158.db2.gz FIBFXGZTFBKAIE-UHFFFAOYSA-N 2 0 215.297 -0.874 10 0 BBAERP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000125714624 177284045 /nfs/dbraw/zinc/28/40/45/177284045.db2.gz GWQALCLDYDLQBG-UWVGGRQHSA-N 2 0 211.309 -0.194 10 0 BBAERP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000125848453 343663733 /nfs/dbraw/zinc/66/37/33/343663733.db2.gz MMXKRHODPWWEOX-AEJSXWLSSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000125848668 343663694 /nfs/dbraw/zinc/66/36/94/343663694.db2.gz MMXKRHODPWWEOX-GUBZILKMSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000125848885 343663739 /nfs/dbraw/zinc/66/37/39/343663739.db2.gz MMXKRHODPWWEOX-IVZWLZJFSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000125849116 343663382 /nfs/dbraw/zinc/66/33/82/343663382.db2.gz MMXKRHODPWWEOX-LPEHRKFASA-N 2 0 211.309 -0.066 10 0 BBAERP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000126600731 490249333 /nfs/dbraw/zinc/24/93/33/490249333.db2.gz DVQPFBQWYKPVRK-IVZWLZJFSA-N 2 0 211.309 -0.018 10 0 BBAERP C[NH+]1CCN(C[C@@H]2CSCC[NH2+]2)CC1 ZINC000127038570 342814860 /nfs/dbraw/zinc/81/48/60/342814860.db2.gz OYUJYYWYPVJASJ-SNVBAGLBSA-N 2 0 215.366 -0.061 10 0 BBAERP C[NH+]1CCN(C[C@H]2CSCC[NH2+]2)CC1 ZINC000127038787 342814789 /nfs/dbraw/zinc/81/47/89/342814789.db2.gz OYUJYYWYPVJASJ-JTQLQIEISA-N 2 0 215.366 -0.061 10 0 BBAERP C[C@@H]1CN(C[C@H](O)C[NH3+])C[C@H](C)[N@H+]1C ZINC000127694081 344606964 /nfs/dbraw/zinc/60/69/64/344606964.db2.gz DBYGOHHMARXCFZ-KXUCPTDWSA-N 2 0 201.314 -0.670 10 0 BBAERP C[C@H]1CN(C[C@H](O)C[NH3+])C[C@H](C)[NH+]1C ZINC000127694305 344607093 /nfs/dbraw/zinc/60/70/93/344607093.db2.gz DBYGOHHMARXCFZ-LPEHRKFASA-N 2 0 201.314 -0.670 10 0 BBAERP C[C@@H]1CN(C[C@H](O)C[NH3+])C[C@@H](C)[NH+]1C ZINC000127694511 344607129 /nfs/dbraw/zinc/60/71/29/344607129.db2.gz DBYGOHHMARXCFZ-OPRDCNLKSA-N 2 0 201.314 -0.670 10 0 BBAERP CC[NH+](CC)CCNC(=O)C1([NH3+])CCOCC1 ZINC000127696519 582818584 /nfs/dbraw/zinc/81/85/84/582818584.db2.gz HNYDNQSRFLUSGA-UHFFFAOYSA-N 2 0 243.351 -0.048 10 0 BBAERP [NH3+]C1(C(=O)NCC[NH+]2CCCC2)CCOCC1 ZINC000127746016 181326287 /nfs/dbraw/zinc/32/62/87/181326287.db2.gz OFLUMNVPXMZLNN-UHFFFAOYSA-N 2 0 241.335 -0.294 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000127860015 409761581 /nfs/dbraw/zinc/76/15/81/409761581.db2.gz OOSWOPJBHRDCTK-JTQLQIEISA-N 2 0 241.335 -0.295 10 0 BBAERP C[N@@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000127860249 409760365 /nfs/dbraw/zinc/76/03/65/409760365.db2.gz OOSWOPJBHRDCTK-SNVBAGLBSA-N 2 0 241.335 -0.295 10 0 BBAERP C[NH+](C)C(C)(C)CNC(=O)C1([NH3+])CCOCC1 ZINC000127863828 172393400 /nfs/dbraw/zinc/39/34/00/172393400.db2.gz MMVJYIMHAZGZEY-UHFFFAOYSA-N 2 0 243.351 -0.049 10 0 BBAERP CC(C)[N@H+](C)CCNC(=O)C1([NH3+])CCOCC1 ZINC000127921797 188047979 /nfs/dbraw/zinc/04/79/79/188047979.db2.gz OFYCHOUKVUBRMH-UHFFFAOYSA-N 2 0 243.351 -0.049 10 0 BBAERP C[N@H+](CCNC(=O)C1([NH3+])CCOCC1)C1CC1 ZINC000127930903 385945846 /nfs/dbraw/zinc/94/58/46/385945846.db2.gz HKTLYPQBWOQRKO-UHFFFAOYSA-N 2 0 241.335 -0.295 10 0 BBAERP C[C@@H]1CN(C[C@H]([NH3+])CO)C[C@H](C)[N@H+]1C ZINC000127936595 344686721 /nfs/dbraw/zinc/68/67/21/344686721.db2.gz ISKZZYLOSZCBND-AEJSXWLSSA-N 2 0 201.314 -0.670 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129223670 343176848 /nfs/dbraw/zinc/17/68/48/343176848.db2.gz ONHWBWFUCASHFO-GHMZBOCLSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129223880 343176754 /nfs/dbraw/zinc/17/67/54/343176754.db2.gz ONHWBWFUCASHFO-MNOVXSKESA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000129224112 343176823 /nfs/dbraw/zinc/17/68/23/343176823.db2.gz ONHWBWFUCASHFO-WDEREUQCSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000129224342 343176505 /nfs/dbraw/zinc/17/65/05/343176505.db2.gz ONHWBWFUCASHFO-QWRGUYRKSA-N 2 0 241.335 -0.473 10 0 BBAERP CCNC(=[NH2+])NC[C@@H]1CN(CC)CCO1 ZINC000129530885 591321447 /nfs/dbraw/zinc/32/14/47/591321447.db2.gz LJFGMPDBWGAJMB-SECBINFHSA-N 2 0 214.313 -0.159 10 0 BBAERP CCNC(=[NH2+])NC[C@H]1CN(CC)CCO1 ZINC000129531128 591321496 /nfs/dbraw/zinc/32/14/96/591321496.db2.gz LJFGMPDBWGAJMB-VIFPVBQESA-N 2 0 214.313 -0.159 10 0 BBAERP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000130630002 344151437 /nfs/dbraw/zinc/15/14/37/344151437.db2.gz SXJWKKOBJHXHJM-JLIMGVALSA-N 2 0 211.309 -0.081 10 0 BBAERP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000130630409 344151243 /nfs/dbraw/zinc/15/12/43/344151243.db2.gz SXJWKKOBJHXHJM-SGIHWFKDSA-N 2 0 211.309 -0.081 10 0 BBAERP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000130788516 411361554 /nfs/dbraw/zinc/36/15/54/411361554.db2.gz KHNRGJOZHJEKSJ-ZJUUUORDSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000130788707 411360875 /nfs/dbraw/zinc/36/08/75/411360875.db2.gz KHNRGJOZHJEKSJ-NXEZZACHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000130788933 411361781 /nfs/dbraw/zinc/36/17/81/411361781.db2.gz KHNRGJOZHJEKSJ-UWVGGRQHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000130789142 411361748 /nfs/dbraw/zinc/36/17/48/411361748.db2.gz KHNRGJOZHJEKSJ-VHSXEESVSA-N 2 0 211.309 -0.146 10 0 BBAERP COCC[NH2+]CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000131159801 344241497 /nfs/dbraw/zinc/24/14/97/344241497.db2.gz XNRDMSAFWBAAIF-JTQLQIEISA-N 2 0 229.324 -0.438 10 0 BBAERP C[NH+](C)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131187899 384791818 /nfs/dbraw/zinc/79/18/18/384791818.db2.gz YSNAOBCTLJBGEQ-UHFFFAOYSA-N 2 0 242.367 -0.652 10 0 BBAERP C[NH2+]CCN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131300434 343183054 /nfs/dbraw/zinc/18/30/54/343183054.db2.gz SUJYKXKQFTZDEQ-UHFFFAOYSA-N 2 0 242.367 -0.652 10 0 BBAERP O=C(NCC[NH2+]C1CC1)[C@H]1CCC[NH2+]C1 ZINC000131807190 411627224 /nfs/dbraw/zinc/62/72/24/411627224.db2.gz XEMQAZZPRYCXEB-VIFPVBQESA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000131881798 176258365 /nfs/dbraw/zinc/25/83/65/176258365.db2.gz LDIVKFIHNMUBBC-ZJUUUORDSA-N 2 0 211.309 -0.194 10 0 BBAERP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000131882014 177224706 /nfs/dbraw/zinc/22/47/06/177224706.db2.gz LDIVKFIHNMUBBC-UWVGGRQHSA-N 2 0 211.309 -0.194 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000131940940 343259471 /nfs/dbraw/zinc/25/94/71/343259471.db2.gz BQVCLCSQUPKYBZ-UWVGGRQHSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000131941131 325191782 /nfs/dbraw/zinc/19/17/82/325191782.db2.gz BQVCLCSQUPKYBZ-ZJUUUORDSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000131941359 343259563 /nfs/dbraw/zinc/25/95/63/343259563.db2.gz BQVCLCSQUPKYBZ-VHSXEESVSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000131941546 322964387 /nfs/dbraw/zinc/96/43/87/322964387.db2.gz BQVCLCSQUPKYBZ-NXEZZACHSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000131942675 344240582 /nfs/dbraw/zinc/24/05/82/344240582.db2.gz HLEVDMYQSSUQPN-UWVGGRQHSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000131943121 343259733 /nfs/dbraw/zinc/25/97/33/343259733.db2.gz HLEVDMYQSSUQPN-VHSXEESVSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000131955921 344241072 /nfs/dbraw/zinc/24/10/72/344241072.db2.gz ANLMFBOBSWDSIE-VHSXEESVSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131956165 344240920 /nfs/dbraw/zinc/24/09/20/344240920.db2.gz ANLMFBOBSWDSIE-NXEZZACHSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000131956377 344241126 /nfs/dbraw/zinc/24/11/26/344241126.db2.gz ANLMFBOBSWDSIE-UWVGGRQHSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000131956591 134637141 /nfs/dbraw/zinc/63/71/41/134637141.db2.gz ANLMFBOBSWDSIE-ZJUUUORDSA-N 2 0 211.309 -0.064 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000132426811 386235260 /nfs/dbraw/zinc/23/52/60/386235260.db2.gz DEOOXMOSWYXAND-SNVBAGLBSA-N 2 0 243.351 -0.049 10 0 BBAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCCN2)CC[N@@H+]1C ZINC000132920954 176373530 /nfs/dbraw/zinc/37/35/30/176373530.db2.gz OAHABIYDARLQBP-VWYCJHECSA-N 2 0 241.335 -0.426 10 0 BBAERP CS[C@@H]1C[NH2+]C[C@@H]1N1CCC[NH2+]CC1 ZINC000134897272 342920617 /nfs/dbraw/zinc/92/06/17/342920617.db2.gz KJAXYAYJYBXGCS-VHSXEESVSA-N 2 0 215.366 -0.015 10 0 BBAERP CS[C@H]1C[NH2+]C[C@@H]1N1CCC[NH2+]CC1 ZINC000134897295 342920504 /nfs/dbraw/zinc/92/05/04/342920504.db2.gz KJAXYAYJYBXGCS-UWVGGRQHSA-N 2 0 215.366 -0.015 10 0 BBAERP CS[C@@H]1C[NH2+]C[C@H]1N1CCC[NH2+]CC1 ZINC000134897310 342920552 /nfs/dbraw/zinc/92/05/52/342920552.db2.gz KJAXYAYJYBXGCS-NXEZZACHSA-N 2 0 215.366 -0.015 10 0 BBAERP CS[C@H]1C[NH2+]C[C@H]1N1CCC[NH2+]CC1 ZINC000134897335 342920593 /nfs/dbraw/zinc/92/05/93/342920593.db2.gz KJAXYAYJYBXGCS-ZJUUUORDSA-N 2 0 215.366 -0.015 10 0 BBAERP CS[C@@H]1C[NH2+]C[C@@H]1N1CC[NH2+]CC1 ZINC000134897363 345425041 /nfs/dbraw/zinc/42/50/41/345425041.db2.gz NDOIFGNCMRYYNS-DTWKUNHWSA-N 2 0 201.339 -0.405 10 0 BBAERP CS[C@H]1C[NH2+]C[C@@H]1N1CC[NH2+]CC1 ZINC000134897385 345425131 /nfs/dbraw/zinc/42/51/31/345425131.db2.gz NDOIFGNCMRYYNS-IUCAKERBSA-N 2 0 201.339 -0.405 10 0 BBAERP CS[C@@H]1C[NH2+]C[C@H]1N1CC[NH2+]CC1 ZINC000134897402 342920591 /nfs/dbraw/zinc/92/05/91/342920591.db2.gz NDOIFGNCMRYYNS-RKDXNWHRSA-N 2 0 201.339 -0.405 10 0 BBAERP CS[C@H]1C[NH2+]C[C@H]1N1CC[NH2+]CC1 ZINC000134897422 345425150 /nfs/dbraw/zinc/42/51/50/345425150.db2.gz NDOIFGNCMRYYNS-BDAKNGLRSA-N 2 0 201.339 -0.405 10 0 BBAERP [NH3+][C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000137470221 388561258 /nfs/dbraw/zinc/56/12/58/388561258.db2.gz ICRCACPWFUOIDY-UWVGGRQHSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+][C@H](CNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000137470364 388561833 /nfs/dbraw/zinc/56/18/33/388561833.db2.gz ICRCACPWFUOIDY-VHSXEESVSA-N 2 0 211.309 -0.161 10 0 BBAERP C[NH2+]CCCN(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000138205690 345759939 /nfs/dbraw/zinc/75/99/39/345759939.db2.gz MAKWDSJCJRAFFD-UHFFFAOYSA-N 2 0 243.351 -0.190 10 0 BBAERP C1CC[NH2+]CCNCC[NH2+]CC[NH2+]CC1 ZINC000139797421 188145717 /nfs/dbraw/zinc/14/57/17/188145717.db2.gz OIFMESATLHOYDX-UHFFFAOYSA-N 3 0 214.357 -0.471 10 0 BBAERP C[NH+]1CCN(CCn2cnc(N)c2)CC1 ZINC000142727355 541504697 /nfs/dbraw/zinc/50/46/97/541504697.db2.gz ZGSUYOBENUDQPW-UHFFFAOYSA-N 2 0 209.297 -0.287 10 0 BBAERP CN(C)CCS(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000143516022 345866336 /nfs/dbraw/zinc/86/63/36/345866336.db2.gz SKJQOTPOCJCAIC-VIFPVBQESA-N 2 0 235.353 -0.781 10 0 BBAERP CCC[C@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000152392312 346256364 /nfs/dbraw/zinc/25/63/64/346256364.db2.gz GVSRIZBHWMFLCZ-VIFPVBQESA-N 2 0 217.313 -0.534 10 0 BBAERP CCC[C@@H]([NH3+])C(=O)NCC[NH2+]CCOC ZINC000152392392 343542417 /nfs/dbraw/zinc/54/24/17/343542417.db2.gz GVSRIZBHWMFLCZ-SECBINFHSA-N 2 0 217.313 -0.534 10 0 BBAERP COCC[NH2+]CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000152503715 343558844 /nfs/dbraw/zinc/55/88/44/343558844.db2.gz NUGFVZGVLSFWHM-JTQLQIEISA-N 2 0 229.324 -0.662 10 0 BBAERP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000154220342 326136231 /nfs/dbraw/zinc/13/62/31/326136231.db2.gz BZTKSYRSCZKEIK-KXUCPTDWSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000154220409 326136101 /nfs/dbraw/zinc/13/61/01/326136101.db2.gz BZTKSYRSCZKEIK-LPEHRKFASA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000154220524 326136195 /nfs/dbraw/zinc/13/61/95/326136195.db2.gz BZTKSYRSCZKEIK-OPRDCNLKSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC[NH2+]1 ZINC000155019200 134683564 /nfs/dbraw/zinc/68/35/64/134683564.db2.gz WGVUQSZCZXQKMC-UTLUCORTSA-N 2 0 211.309 -0.066 10 0 BBAERP [NH3+][C@H]1CCCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000158221912 487948143 /nfs/dbraw/zinc/94/81/43/487948143.db2.gz UTIUMVCFYCCTPU-JTQLQIEISA-N 2 0 211.309 -0.064 10 0 BBAERP COCC[NH2+]CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000158512437 487962217 /nfs/dbraw/zinc/96/22/17/487962217.db2.gz CPPIMWFZTAXPEE-VIFPVBQESA-N 2 0 215.297 -0.828 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159233574 134766965 /nfs/dbraw/zinc/76/69/65/134766965.db2.gz YGQDJRPDXRPLGW-LLVKDONJSA-N 2 0 243.351 -0.051 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159233695 345416993 /nfs/dbraw/zinc/41/69/93/345416993.db2.gz YGQDJRPDXRPLGW-NSHDSACASA-N 2 0 243.351 -0.051 10 0 BBAERP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])COC)CC1 ZINC000159621100 345448837 /nfs/dbraw/zinc/44/88/37/345448837.db2.gz KMSVDHPCAJZZMS-LLVKDONJSA-N 2 0 243.351 -0.097 10 0 BBAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])COC)CC1 ZINC000159621215 345448524 /nfs/dbraw/zinc/44/85/24/345448524.db2.gz KMSVDHPCAJZZMS-NSHDSACASA-N 2 0 243.351 -0.097 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159637175 345447906 /nfs/dbraw/zinc/44/79/06/345447906.db2.gz HFGACRLOEYCXMN-WDEREUQCSA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159637316 345448174 /nfs/dbraw/zinc/44/81/74/345448174.db2.gz HFGACRLOEYCXMN-GHMZBOCLSA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159637459 345448146 /nfs/dbraw/zinc/44/81/46/345448146.db2.gz HFGACRLOEYCXMN-QWRGUYRKSA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159637597 345447879 /nfs/dbraw/zinc/44/78/79/345447879.db2.gz HFGACRLOEYCXMN-MNOVXSKESA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000159668346 345462009 /nfs/dbraw/zinc/46/20/09/345462009.db2.gz NBWQOBAMILVHNX-GARJFASQSA-N 2 0 241.335 -0.297 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000159769228 345527384 /nfs/dbraw/zinc/52/73/84/345527384.db2.gz YHJHTYNGFWTLGH-LLVKDONJSA-N 2 0 243.351 -0.240 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000159769304 345526989 /nfs/dbraw/zinc/52/69/89/345526989.db2.gz YHJHTYNGFWTLGH-NSHDSACASA-N 2 0 243.351 -0.240 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000159813962 323049234 /nfs/dbraw/zinc/04/92/34/323049234.db2.gz PXDIOGWMWDKMRB-GHMZBOCLSA-N 2 0 243.351 -0.193 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000159814117 323049187 /nfs/dbraw/zinc/04/91/87/323049187.db2.gz PXDIOGWMWDKMRB-WDEREUQCSA-N 2 0 243.351 -0.193 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000159817371 345556519 /nfs/dbraw/zinc/55/65/19/345556519.db2.gz XTZSOOQWMUDUFN-LLVKDONJSA-N 2 0 243.351 -0.192 10 0 BBAERP COC[C@H]([NH3+])C(=O)NCC[NH+]1CCC(C)CC1 ZINC000159817489 345550693 /nfs/dbraw/zinc/55/06/93/345550693.db2.gz XTZSOOQWMUDUFN-NSHDSACASA-N 2 0 243.351 -0.192 10 0 BBAERP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])COC)CC1 ZINC000159826758 345560875 /nfs/dbraw/zinc/56/08/75/345560875.db2.gz ANHUADQSACCKBB-LLVKDONJSA-N 2 0 243.351 -0.049 10 0 BBAERP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])COC)CC1 ZINC000159826902 345560831 /nfs/dbraw/zinc/56/08/31/345560831.db2.gz ANHUADQSACCKBB-NSHDSACASA-N 2 0 243.351 -0.049 10 0 BBAERP CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000159864934 343202768 /nfs/dbraw/zinc/20/27/68/343202768.db2.gz GHPPNLYZJVNXNH-LLVKDONJSA-N 2 0 243.351 -0.192 10 0 BBAERP CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])COC)CC1 ZINC000159865079 343202985 /nfs/dbraw/zinc/20/29/85/343202985.db2.gz GHPPNLYZJVNXNH-NSHDSACASA-N 2 0 243.351 -0.192 10 0 BBAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000159915852 134793642 /nfs/dbraw/zinc/79/36/42/134793642.db2.gz JJKLJBWSNXGCJB-GHMZBOCLSA-N 2 0 243.351 -0.097 10 0 BBAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000159915985 345648596 /nfs/dbraw/zinc/64/85/96/345648596.db2.gz JJKLJBWSNXGCJB-WDEREUQCSA-N 2 0 243.351 -0.097 10 0 BBAERP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000159916122 345649141 /nfs/dbraw/zinc/64/91/41/345649141.db2.gz JJKLJBWSNXGCJB-MNOVXSKESA-N 2 0 243.351 -0.097 10 0 BBAERP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000159916256 345649183 /nfs/dbraw/zinc/64/91/83/345649183.db2.gz JJKLJBWSNXGCJB-QWRGUYRKSA-N 2 0 243.351 -0.097 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000159919087 323053938 /nfs/dbraw/zinc/05/39/38/323053938.db2.gz JTVSTFZBUVJKMJ-LLVKDONJSA-N 2 0 243.351 -0.240 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000159919229 323053999 /nfs/dbraw/zinc/05/39/99/323053999.db2.gz JTVSTFZBUVJKMJ-NSHDSACASA-N 2 0 243.351 -0.240 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000159922756 345660572 /nfs/dbraw/zinc/66/05/72/345660572.db2.gz QQHYOMYIFJBBOL-LLVKDONJSA-N 2 0 243.351 -0.049 10 0 BBAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])COC ZINC000160008957 353252502 /nfs/dbraw/zinc/25/25/02/353252502.db2.gz GWGPQGBEEQCPAT-GHMZBOCLSA-N 2 0 243.351 -0.097 10 0 BBAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])COC ZINC000160009094 353252185 /nfs/dbraw/zinc/25/21/85/353252185.db2.gz GWGPQGBEEQCPAT-WDEREUQCSA-N 2 0 243.351 -0.097 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000161172426 487481904 /nfs/dbraw/zinc/48/19/04/487481904.db2.gz UJTCQJROHACALT-JTQLQIEISA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000161172556 487481848 /nfs/dbraw/zinc/48/18/48/487481848.db2.gz UJTCQJROHACALT-SNVBAGLBSA-N 2 0 241.335 -0.473 10 0 BBAERP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000162440155 487570654 /nfs/dbraw/zinc/57/06/54/487570654.db2.gz CMUOOMKIVPFYSP-KXUCPTDWSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000162440301 487570470 /nfs/dbraw/zinc/57/04/70/487570470.db2.gz CMUOOMKIVPFYSP-OPRDCNLKSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000162440424 487570521 /nfs/dbraw/zinc/57/05/21/487570521.db2.gz CMUOOMKIVPFYSP-UTLUCORTSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000162440540 487570453 /nfs/dbraw/zinc/57/04/53/487570453.db2.gz CMUOOMKIVPFYSP-BBBLOLIVSA-N 2 0 211.309 -0.018 10 0 BBAERP C[C@@H]([NH3+])CN1CC[C@@H](N2CCOCC2)C1 ZINC000163731670 384352756 /nfs/dbraw/zinc/35/27/56/384352756.db2.gz OYURMBNWGMNWRW-GHMZBOCLSA-N 2 0 213.325 -0.260 10 0 BBAERP [NH3+]C[C@@H]1CN([C@H]2CCCOC2)CCO1 ZINC000165599791 343934851 /nfs/dbraw/zinc/93/48/51/343934851.db2.gz DSQWMZSHXCSBFN-VHSXEESVSA-N 2 0 200.282 -0.175 10 0 BBAERP [NH3+]C[C@@H]1CN([C@@H]2CCCOC2)CCO1 ZINC000165599934 343934920 /nfs/dbraw/zinc/93/49/20/343934920.db2.gz DSQWMZSHXCSBFN-NXEZZACHSA-N 2 0 200.282 -0.175 10 0 BBAERP CCOC(=O)CC(CC(=O)OCC)NCC[NH3+] ZINC000166177336 347404662 /nfs/dbraw/zinc/40/46/62/347404662.db2.gz BDLWOGHASNEISY-UHFFFAOYSA-N 2 0 246.307 -0.190 10 0 BBAERP C[N@H+](CCC[NH3+])CC1(O)CCOCC1 ZINC000167146321 384260415 /nfs/dbraw/zinc/26/04/15/384260415.db2.gz TYBJNKTWQYFAGX-UHFFFAOYSA-N 2 0 202.298 -0.192 10 0 BBAERP C[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000167900338 487475242 /nfs/dbraw/zinc/47/52/42/487475242.db2.gz JGLVHRVQCAAFBS-ULKQDVFKSA-N 2 0 211.309 -0.053 10 0 BBAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH3+])C[C@H]1C ZINC000167993357 134155515 /nfs/dbraw/zinc/15/55/15/134155515.db2.gz CZNTYILKQOMHQI-NXEZZACHSA-N 2 0 229.324 -0.751 10 0 BBAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH3+])C[C@@H]1C ZINC000167993461 134155387 /nfs/dbraw/zinc/15/53/87/134155387.db2.gz CZNTYILKQOMHQI-VHSXEESVSA-N 2 0 229.324 -0.751 10 0 BBAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCC[NH3+])C[C@H]1C ZINC000167993589 134155478 /nfs/dbraw/zinc/15/54/78/134155478.db2.gz JVCMXFFOCDNSHK-GHMZBOCLSA-N 2 0 243.351 -0.361 10 0 BBAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCC[NH3+])C[C@@H]1C ZINC000167993692 134155308 /nfs/dbraw/zinc/15/53/08/134155308.db2.gz JVCMXFFOCDNSHK-WDEREUQCSA-N 2 0 243.351 -0.361 10 0 BBAERP CC[C@@H]1CN(C(=O)C[NH2+]C)CC[N@@H+]1C[C@@H](C)O ZINC000168003762 385344704 /nfs/dbraw/zinc/34/47/04/385344704.db2.gz GSBBXAQWCAVNHW-GHMZBOCLSA-N 2 0 243.351 -0.491 10 0 BBAERP CC[C@H]1CN(C(=O)C[NH2+]C)CC[N@@H+]1C[C@@H](C)O ZINC000168003874 536110481 /nfs/dbraw/zinc/11/04/81/536110481.db2.gz GSBBXAQWCAVNHW-MNOVXSKESA-N 2 0 243.351 -0.491 10 0 BBAERP CC[C@@H]1CN(C(=O)C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000168009365 134155219 /nfs/dbraw/zinc/15/52/19/134155219.db2.gz MYCLFURBYVHBCT-NXEZZACHSA-N 2 0 229.324 -0.751 10 0 BBAERP CC[C@H]1CN(C(=O)C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000168009461 536108592 /nfs/dbraw/zinc/10/85/92/536108592.db2.gz MYCLFURBYVHBCT-ZJUUUORDSA-N 2 0 229.324 -0.751 10 0 BBAERP CC[C@@H]1CN(C(=O)CC[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000168013034 134155248 /nfs/dbraw/zinc/15/52/48/134155248.db2.gz IKRGQTIOXAYJMS-GHMZBOCLSA-N 2 0 243.351 -0.361 10 0 BBAERP CC[C@H]1CN(C(=O)CC[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000168013154 134155138 /nfs/dbraw/zinc/15/51/38/134155138.db2.gz IKRGQTIOXAYJMS-MNOVXSKESA-N 2 0 243.351 -0.361 10 0 BBAERP CC[C@@H]1CN(C(=O)CC[NH3+])CC[N@@H+]1CCOC ZINC000168070345 134155792 /nfs/dbraw/zinc/15/57/92/134155792.db2.gz JHTGPIHECSURPG-LLVKDONJSA-N 2 0 243.351 -0.096 10 0 BBAERP CC[C@H]1CN(C(=O)CC[NH3+])CC[N@@H+]1CCOC ZINC000168070447 134155809 /nfs/dbraw/zinc/15/58/09/134155809.db2.gz JHTGPIHECSURPG-NSHDSACASA-N 2 0 243.351 -0.096 10 0 BBAERP O=C1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)N1 ZINC000168757258 487540754 /nfs/dbraw/zinc/54/07/54/487540754.db2.gz DUJZKHNRFJDFSQ-UWVGGRQHSA-N 2 0 211.309 -0.003 10 0 BBAERP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N1 ZINC000168757345 487540769 /nfs/dbraw/zinc/54/07/69/487540769.db2.gz DUJZKHNRFJDFSQ-ZJUUUORDSA-N 2 0 211.309 -0.003 10 0 BBAERP OC[C@@H]1C[NH2+]C[C@H]1C1CCN(C2C[NH2+]C2)CC1 ZINC000169789107 361117566 /nfs/dbraw/zinc/11/75/66/361117566.db2.gz LMGQFWFRKVFJFX-AAEUAGOBSA-N 2 0 239.363 -0.502 10 0 BBAERP [NH3+][C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000170786913 134254054 /nfs/dbraw/zinc/25/40/54/134254054.db2.gz IZRVJQNBDFHAHR-UWVGGRQHSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000170786915 134254108 /nfs/dbraw/zinc/25/41/08/134254108.db2.gz IZRVJQNBDFHAHR-ZJUUUORDSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000170786917 134254183 /nfs/dbraw/zinc/25/41/83/134254183.db2.gz IZRVJQNBDFHAHR-VHSXEESVSA-N 2 0 211.309 -0.064 10 0 BBAERP COCCN1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000172295772 372933594 /nfs/dbraw/zinc/93/35/94/372933594.db2.gz UUGXHERHZPQYGQ-LLVKDONJSA-N 2 0 243.351 -0.273 10 0 BBAERP COCCN1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000172295776 372934315 /nfs/dbraw/zinc/93/43/15/372934315.db2.gz UUGXHERHZPQYGQ-NSHDSACASA-N 2 0 243.351 -0.273 10 0 BBAERP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000178406749 134309993 /nfs/dbraw/zinc/30/99/93/134309993.db2.gz SBKXALNUAJJRNT-UWVGGRQHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000178406775 134310123 /nfs/dbraw/zinc/31/01/23/134310123.db2.gz SBKXALNUAJJRNT-VHSXEESVSA-N 2 0 211.309 -0.146 10 0 BBAERP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000178409616 366121692 /nfs/dbraw/zinc/12/16/92/366121692.db2.gz IECHKGZATPBDHU-VHSXEESVSA-N 2 0 211.309 -0.194 10 0 BBAERP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000178409629 366122449 /nfs/dbraw/zinc/12/24/49/366122449.db2.gz IECHKGZATPBDHU-UWVGGRQHSA-N 2 0 211.309 -0.194 10 0 BBAERP C[C@@H]([NH3+])CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000178744135 346711695 /nfs/dbraw/zinc/71/16/95/346711695.db2.gz BJQBOHUQVCWQHL-RKDXNWHRSA-N 2 0 231.365 -0.065 10 0 BBAERP C[C@@H]([NH3+])CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000178744150 346711924 /nfs/dbraw/zinc/71/19/24/346711924.db2.gz BJQBOHUQVCWQHL-BDAKNGLRSA-N 2 0 231.365 -0.065 10 0 BBAERP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000178784372 635700769 /nfs/dbraw/zinc/70/07/69/635700769.db2.gz ZRXPAKZEUVFCKX-PWSUYJOCSA-N 2 0 241.310 -0.005 10 0 BBAERP O=C(N1CC[N@@H+]2CCC[C@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000178784384 635701431 /nfs/dbraw/zinc/70/14/31/635701431.db2.gz ZRXPAKZEUVFCKX-JQWIXIFHSA-N 2 0 241.310 -0.005 10 0 BBAERP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000178977396 134314162 /nfs/dbraw/zinc/31/41/62/134314162.db2.gz IFASOPSBAVNGKY-MWLCHTKSSA-N 2 0 241.335 -0.439 10 0 BBAERP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000178977403 134314033 /nfs/dbraw/zinc/31/40/33/134314033.db2.gz IFASOPSBAVNGKY-KOLCDFICSA-N 2 0 241.335 -0.439 10 0 BBAERP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000179063745 366202259 /nfs/dbraw/zinc/20/22/59/366202259.db2.gz KRXNBFDAZUORBJ-KXUCPTDWSA-N 2 0 211.309 -0.066 10 0 BBAERP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000179063755 366202703 /nfs/dbraw/zinc/20/27/03/366202703.db2.gz KRXNBFDAZUORBJ-UTLUCORTSA-N 2 0 211.309 -0.066 10 0 BBAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000182199767 386396971 /nfs/dbraw/zinc/39/69/71/386396971.db2.gz GTPYARLGCOFIRF-MNOVXSKESA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000182199784 386396128 /nfs/dbraw/zinc/39/61/28/386396128.db2.gz GTPYARLGCOFIRF-QWRGUYRKSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000182199805 386397764 /nfs/dbraw/zinc/39/77/64/386397764.db2.gz GTPYARLGCOFIRF-GHMZBOCLSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000182199820 386397419 /nfs/dbraw/zinc/39/74/19/386397419.db2.gz GTPYARLGCOFIRF-WDEREUQCSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)C[C@@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000182199913 366873841 /nfs/dbraw/zinc/87/38/41/366873841.db2.gz DCLZGOKOTKXYTG-LLVKDONJSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)C[C@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000182199926 366874056 /nfs/dbraw/zinc/87/40/56/366874056.db2.gz DCLZGOKOTKXYTG-NSHDSACASA-N 2 0 241.335 -0.473 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C[NH2+]C3CC3)C[C@@H]12 ZINC000185137903 367120812 /nfs/dbraw/zinc/12/08/12/367120812.db2.gz AMKGBHIHCBTIEK-JMJZKYOTSA-N 2 0 223.320 -0.066 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[NH2+]C3CC3)C[C@@H]12 ZINC000185137924 367121793 /nfs/dbraw/zinc/12/17/93/367121793.db2.gz AMKGBHIHCBTIEK-FBIMIBRVSA-N 2 0 223.320 -0.066 10 0 BBAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000186688925 388602176 /nfs/dbraw/zinc/60/21/76/388602176.db2.gz GOABRZOTWGEFKZ-BBBLOLIVSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000186688933 385780129 /nfs/dbraw/zinc/78/01/29/385780129.db2.gz GOABRZOTWGEFKZ-AEJSXWLSSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000186688951 385781540 /nfs/dbraw/zinc/78/15/40/385781540.db2.gz GOABRZOTWGEFKZ-OPRDCNLKSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000186688965 385781229 /nfs/dbraw/zinc/78/12/29/385781229.db2.gz GOABRZOTWGEFKZ-IVZWLZJFSA-N 2 0 211.309 -0.290 10 0 BBAERP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188183680 398344658 /nfs/dbraw/zinc/34/46/58/398344658.db2.gz XOMQLZKMSYYTSR-IVZWLZJFSA-N 2 0 229.299 -0.103 10 0 BBAERP C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188183707 398344642 /nfs/dbraw/zinc/34/46/42/398344642.db2.gz XOMQLZKMSYYTSR-LPEHRKFASA-N 2 0 229.299 -0.103 10 0 BBAERP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000188425697 346811048 /nfs/dbraw/zinc/81/10/48/346811048.db2.gz WLKYZSDSGIOMFP-BBBLOLIVSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000188425722 346810938 /nfs/dbraw/zinc/81/09/38/346810938.db2.gz WLKYZSDSGIOMFP-UTLUCORTSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000188425746 346810972 /nfs/dbraw/zinc/81/09/72/346810972.db2.gz WLKYZSDSGIOMFP-OPRDCNLKSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000188425769 346810718 /nfs/dbraw/zinc/81/07/18/346810718.db2.gz WLKYZSDSGIOMFP-KXUCPTDWSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC[NH2+]1 ZINC000188439383 176258488 /nfs/dbraw/zinc/25/84/88/176258488.db2.gz WGVUQSZCZXQKMC-KXUCPTDWSA-N 2 0 211.309 -0.066 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)C[C@H]12 ZINC000188801346 344010012 /nfs/dbraw/zinc/01/00/12/344010012.db2.gz ORQBRFPDFMDSPM-LADJIXMOSA-N 2 0 241.310 -0.118 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)C[C@@H]12 ZINC000188801393 344010001 /nfs/dbraw/zinc/01/00/01/344010001.db2.gz ORQBRFPDFMDSPM-FBDQPXRJSA-N 2 0 241.310 -0.118 10 0 BBAERP C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188801844 357586945 /nfs/dbraw/zinc/58/69/45/357586945.db2.gz GJBZOOKQBLHLGZ-VHSXEESVSA-N 2 0 229.299 -0.150 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000193500064 644247249 /nfs/dbraw/zinc/24/72/49/644247249.db2.gz WVUCSZQPHZUFRQ-BBBLOLIVSA-N 2 0 211.309 -0.005 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000193500078 644247601 /nfs/dbraw/zinc/24/76/01/644247601.db2.gz WVUCSZQPHZUFRQ-AEJSXWLSSA-N 2 0 211.309 -0.005 10 0 BBAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000193500094 134597323 /nfs/dbraw/zinc/59/73/23/134597323.db2.gz WVUCSZQPHZUFRQ-UTLUCORTSA-N 2 0 211.309 -0.005 10 0 BBAERP COCC[NH2+]CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193523968 388366187 /nfs/dbraw/zinc/36/61/87/388366187.db2.gz KZPGMMJXWWEVMP-VHSXEESVSA-N 2 0 229.324 -0.521 10 0 BBAERP COCC[NH2+]CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193523981 388366320 /nfs/dbraw/zinc/36/63/20/388366320.db2.gz KZPGMMJXWWEVMP-ZJUUUORDSA-N 2 0 229.324 -0.521 10 0 BBAERP COCC[NH2+]CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193523999 388366195 /nfs/dbraw/zinc/36/61/95/388366195.db2.gz KZPGMMJXWWEVMP-UWVGGRQHSA-N 2 0 229.324 -0.521 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000193545187 388370329 /nfs/dbraw/zinc/37/03/29/388370329.db2.gz RDRWWPDRBYCRPA-PSASIEDQSA-N 2 0 211.309 -0.005 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000193545200 388370344 /nfs/dbraw/zinc/37/03/44/388370344.db2.gz RDRWWPDRBYCRPA-WCBMZHEXSA-N 2 0 211.309 -0.005 10 0 BBAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000193545213 388370671 /nfs/dbraw/zinc/37/06/71/388370671.db2.gz RDRWWPDRBYCRPA-SCZZXKLOSA-N 2 0 211.309 -0.005 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000193639660 388404931 /nfs/dbraw/zinc/40/49/31/388404931.db2.gz UPICGLIMWZEAAV-OPRDCNLKSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000193639681 388404724 /nfs/dbraw/zinc/40/47/24/388404724.db2.gz UPICGLIMWZEAAV-IVZWLZJFSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000193639702 388404672 /nfs/dbraw/zinc/40/46/72/388404672.db2.gz UPICGLIMWZEAAV-BBBLOLIVSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000193639725 367197201 /nfs/dbraw/zinc/19/72/01/367197201.db2.gz UPICGLIMWZEAAV-AEJSXWLSSA-N 2 0 211.309 -0.147 10 0 BBAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195263820 397923598 /nfs/dbraw/zinc/92/35/98/397923598.db2.gz QNUWJMDVZGZDQF-QCLAVDOMSA-N 2 0 227.283 -0.636 10 0 BBAERP C[NH+]1CCCNCC[NH2+]CCNCCC1 ZINC000207606464 173018948 /nfs/dbraw/zinc/01/89/48/173018948.db2.gz GLIBQDUDOWVLDQ-UHFFFAOYSA-N 2 0 214.357 -0.519 10 0 BBAERP C[C@@H]1CCC[N@H+](C[C@@H](O)CN2CC[NH2+]CC2)C1 ZINC000216108713 524231319 /nfs/dbraw/zinc/23/13/19/524231319.db2.gz UNESPBDLVCUJDC-OLZOCXBDSA-N 2 0 241.379 -0.016 10 0 BBAERP C[N@@H+]1CCN(C[C@@H](O)C[NH3+])CC1(C)C ZINC000216508768 349508045 /nfs/dbraw/zinc/50/80/45/349508045.db2.gz JBHMUIDEKAKRKM-VIFPVBQESA-N 2 0 201.314 -0.668 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000217774095 411231024 /nfs/dbraw/zinc/23/10/24/411231024.db2.gz BHFFDEHZZMESLJ-GHMZBOCLSA-N 2 0 241.335 -0.426 10 0 BBAERP C[N@@H+]1CC[C@@](O)([C@@]2(C[NH3+])CCOC2)C1 ZINC000218738423 353146507 /nfs/dbraw/zinc/14/65/07/353146507.db2.gz GYWZVIWCBCQKFV-ZJUUUORDSA-N 2 0 200.282 -0.582 10 0 BBAERP C[N@@H+]1CC[C@](O)([C@@]2(C[NH3+])CCOC2)C1 ZINC000218738477 353146064 /nfs/dbraw/zinc/14/60/64/353146064.db2.gz GYWZVIWCBCQKFV-NXEZZACHSA-N 2 0 200.282 -0.582 10 0 BBAERP [NH3+]C[C@@]1([C@@]2(O)CC[NH2+]C2)CCCOC1 ZINC000218748761 372150153 /nfs/dbraw/zinc/15/01/53/372150153.db2.gz AVVWZFIRRZHGBY-VHSXEESVSA-N 2 0 200.282 -0.534 10 0 BBAERP [NH3+]C[C@]1([C@@]2(O)CC[NH2+]C2)CCCOC1 ZINC000218748801 357276962 /nfs/dbraw/zinc/27/69/62/357276962.db2.gz AVVWZFIRRZHGBY-NXEZZACHSA-N 2 0 200.282 -0.534 10 0 BBAERP [NH3+]C[C@@]1([C@]2(O)CC[NH2+]C2)CCCOC1 ZINC000218748848 372149319 /nfs/dbraw/zinc/14/93/19/372149319.db2.gz AVVWZFIRRZHGBY-UWVGGRQHSA-N 2 0 200.282 -0.534 10 0 BBAERP [NH3+]C[C@]1([C@]2(O)CC[NH2+]C2)CCCOC1 ZINC000218748893 372149725 /nfs/dbraw/zinc/14/97/25/372149725.db2.gz AVVWZFIRRZHGBY-ZJUUUORDSA-N 2 0 200.282 -0.534 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000219173490 357980115 /nfs/dbraw/zinc/98/01/15/357980115.db2.gz JNOAFKCFBNNYJR-HBNTYKKESA-N 2 0 243.351 -0.180 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219978352 134295656 /nfs/dbraw/zinc/29/56/56/134295656.db2.gz YNSGHGOYINYJBE-PSASIEDQSA-N 2 0 229.324 -0.441 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219978574 134295957 /nfs/dbraw/zinc/29/59/57/134295957.db2.gz YNSGHGOYINYJBE-WPRPVWTQSA-N 2 0 229.324 -0.441 10 0 BBAERP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])COC ZINC000220147891 353823846 /nfs/dbraw/zinc/82/38/46/353823846.db2.gz CIIMZOBOZNDHMU-UWVGGRQHSA-N 2 0 229.324 -0.439 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000220155022 353823886 /nfs/dbraw/zinc/82/38/86/353823886.db2.gz NBWQOBAMILVHNX-AXFHLTTASA-N 2 0 241.335 -0.297 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000220155130 353823963 /nfs/dbraw/zinc/82/39/63/353823963.db2.gz NBWQOBAMILVHNX-DCAQKATOSA-N 2 0 241.335 -0.297 10 0 BBAERP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])COC)C1 ZINC000220159516 353824066 /nfs/dbraw/zinc/82/40/66/353824066.db2.gz OJXFWWNNLLGOIY-UWVGGRQHSA-N 2 0 229.324 -0.582 10 0 BBAERP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])COC)C1 ZINC000220159592 353823866 /nfs/dbraw/zinc/82/38/66/353823866.db2.gz OJXFWWNNLLGOIY-ZJUUUORDSA-N 2 0 229.324 -0.582 10 0 BBAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])COC)C1 ZINC000220167014 353824272 /nfs/dbraw/zinc/82/42/72/353824272.db2.gz RHRZVTISHBQTPO-ZJUUUORDSA-N 2 0 229.324 -0.439 10 0 BBAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])COC)C1 ZINC000220167077 353824187 /nfs/dbraw/zinc/82/41/87/353824187.db2.gz RHRZVTISHBQTPO-UWVGGRQHSA-N 2 0 229.324 -0.439 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000220167298 358019076 /nfs/dbraw/zinc/01/90/76/358019076.db2.gz PXDIOGWMWDKMRB-QWRGUYRKSA-N 2 0 243.351 -0.193 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000220167364 358019001 /nfs/dbraw/zinc/01/90/01/358019001.db2.gz PXDIOGWMWDKMRB-MNOVXSKESA-N 2 0 243.351 -0.193 10 0 BBAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])COC ZINC000220191686 353820267 /nfs/dbraw/zinc/82/02/67/353820267.db2.gz GWGPQGBEEQCPAT-MNOVXSKESA-N 2 0 243.351 -0.097 10 0 BBAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])COC ZINC000220191740 353820602 /nfs/dbraw/zinc/82/06/02/353820602.db2.gz GWGPQGBEEQCPAT-QWRGUYRKSA-N 2 0 243.351 -0.097 10 0 BBAERP NC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000220358218 388603306 /nfs/dbraw/zinc/60/33/06/388603306.db2.gz XJKGYSUHSRCISD-NXEZZACHSA-N 2 0 211.309 -0.207 10 0 BBAERP NC(=O)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000220358281 388603653 /nfs/dbraw/zinc/60/36/53/388603653.db2.gz XJKGYSUHSRCISD-ZJUUUORDSA-N 2 0 211.309 -0.207 10 0 BBAERP NC(=[NH2+])NC(=[NH2+])N[C@@H]1CCCSC1 ZINC000220786958 350186317 /nfs/dbraw/zinc/18/63/17/350186317.db2.gz CNGYWVCLBDHIFF-RXMQYKEDSA-N 2 0 201.299 -0.111 10 0 BBAERP NC(=[NH2+])NC(=[NH2+])NC1CCSCC1 ZINC000220787846 344583972 /nfs/dbraw/zinc/58/39/72/344583972.db2.gz QNTISKPUQRXERJ-UHFFFAOYSA-N 2 0 201.299 -0.111 10 0 BBAERP C[C@@H]1CN(C[C@@](C)([NH3+])CO)CC[N@@H+]1C ZINC000222887315 351144121 /nfs/dbraw/zinc/14/41/21/351144121.db2.gz XNMZPJAWMSKYGX-NXEZZACHSA-N 2 0 201.314 -0.668 10 0 BBAERP C[C@H]1CN(C[C@@](C)([NH3+])CO)CC[N@@H+]1C ZINC000222887375 351144088 /nfs/dbraw/zinc/14/40/88/351144088.db2.gz XNMZPJAWMSKYGX-VHSXEESVSA-N 2 0 201.314 -0.668 10 0 BBAERP CC(C)(C)OC(=O)NCCOC(C[NH3+])C[NH3+] ZINC000222915709 350256131 /nfs/dbraw/zinc/25/61/31/350256131.db2.gz OCSBGMFPCREWCK-UHFFFAOYSA-N 2 0 233.312 -0.186 10 0 BBAERP C[C@@H]1CN(C[C@@](C)(O)C[NH3+])CC[N@@H+]1C ZINC000223280438 353698812 /nfs/dbraw/zinc/69/88/12/353698812.db2.gz PDMNGYUBCSDOLB-ZJUUUORDSA-N 2 0 201.314 -0.668 10 0 BBAERP C[C@H]1CN(C[C@@](C)(O)C[NH3+])CC[N@@H+]1C ZINC000223280484 353698857 /nfs/dbraw/zinc/69/88/57/353698857.db2.gz PDMNGYUBCSDOLB-UWVGGRQHSA-N 2 0 201.314 -0.668 10 0 BBAERP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000223452738 488162980 /nfs/dbraw/zinc/16/29/80/488162980.db2.gz WHZOEUDJEDRBTH-GMTAPVOTSA-N 2 0 243.351 -0.444 10 0 BBAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000223452797 488163031 /nfs/dbraw/zinc/16/30/31/488163031.db2.gz WHZOEUDJEDRBTH-HBNTYKKESA-N 2 0 243.351 -0.444 10 0 BBAERP C[C@H]([NH3+])[C@@H](CO)N1CC[N@H+](C)[C@@H](C)C1 ZINC000224822576 350341417 /nfs/dbraw/zinc/34/14/17/350341417.db2.gz PXFCQKGKZVAVHX-LPEHRKFASA-N 2 0 201.314 -0.670 10 0 BBAERP C[C@H]([NH3+])[C@H](CO)N1CC[N@H+](C)[C@@H](C)C1 ZINC000224822617 363495326 /nfs/dbraw/zinc/49/53/26/363495326.db2.gz PXFCQKGKZVAVHX-GUBZILKMSA-N 2 0 201.314 -0.670 10 0 BBAERP COC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000225474850 388679108 /nfs/dbraw/zinc/67/91/08/388679108.db2.gz RRVXWZAQWWCYEY-GHMZBOCLSA-N 2 0 216.325 -0.123 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226083116 487656430 /nfs/dbraw/zinc/65/64/30/487656430.db2.gz ZLFWIOIOWAXDBN-DTWKUNHWSA-N 2 0 215.297 -0.830 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226083138 487656059 /nfs/dbraw/zinc/65/60/59/487656059.db2.gz ZLFWIOIOWAXDBN-RKDXNWHRSA-N 2 0 215.297 -0.830 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226083148 488103493 /nfs/dbraw/zinc/10/34/93/488103493.db2.gz ZLFWIOIOWAXDBN-BDAKNGLRSA-N 2 0 215.297 -0.830 10 0 BBAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226394871 388717199 /nfs/dbraw/zinc/71/71/99/388717199.db2.gz AMKZHSZEABHFOS-NXEZZACHSA-N 2 0 211.309 -0.194 10 0 BBAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226394878 388717340 /nfs/dbraw/zinc/71/73/40/388717340.db2.gz AMKZHSZEABHFOS-ZJUUUORDSA-N 2 0 211.309 -0.194 10 0 BBAERP CN([C@@H]1CCOC1)[C@@]1(C[NH3+])CCOC1 ZINC000226477487 371673289 /nfs/dbraw/zinc/67/32/89/371673289.db2.gz JWOYYRXIMWWFNY-NXEZZACHSA-N 2 0 200.282 -0.175 10 0 BBAERP CN([C@H]1CCOC1)[C@@]1(C[NH3+])CCOC1 ZINC000226477497 371673758 /nfs/dbraw/zinc/67/37/58/371673758.db2.gz JWOYYRXIMWWFNY-VHSXEESVSA-N 2 0 200.282 -0.175 10 0 BBAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCOC)C1 ZINC000226523715 635433445 /nfs/dbraw/zinc/43/34/45/635433445.db2.gz AGUFEPBBUPZZAC-MNOVXSKESA-N 2 0 243.351 -0.049 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000226693860 487868561 /nfs/dbraw/zinc/86/85/61/487868561.db2.gz IAJACQMSSXCVRS-OPRDCNLKSA-N 2 0 229.324 -0.570 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000227119797 371788020 /nfs/dbraw/zinc/78/80/20/371788020.db2.gz OTCQVOCMGINDNR-BBBLOLIVSA-N 2 0 200.282 -0.393 10 0 BBAERP [NH3+][C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000227119810 371787697 /nfs/dbraw/zinc/78/76/97/371787697.db2.gz OTCQVOCMGINDNR-UTLUCORTSA-N 2 0 200.282 -0.393 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@H+](C)C(C)C)C1 ZINC000227182025 358350884 /nfs/dbraw/zinc/35/08/84/358350884.db2.gz AWTVBCFVOIGHRN-GHMZBOCLSA-N 2 0 243.351 -0.180 10 0 BBAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000227227336 134376498 /nfs/dbraw/zinc/37/64/98/134376498.db2.gz GASSFSBMQMAJPU-VWYCJHECSA-N 2 0 243.351 -0.051 10 0 BBAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000227227349 134376187 /nfs/dbraw/zinc/37/61/87/134376187.db2.gz GASSFSBMQMAJPU-OUAUKWLOSA-N 2 0 243.351 -0.051 10 0 BBAERP CO[C@H](C[NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000227349360 174858828 /nfs/dbraw/zinc/85/88/28/174858828.db2.gz MBHONKUTOFTMKP-SECBINFHSA-N 2 0 215.297 -0.828 10 0 BBAERP C([C@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227459298 487914471 /nfs/dbraw/zinc/91/44/71/487914471.db2.gz XDRRRVJCIXSEFC-VXGBXAGGSA-N 2 0 225.336 -0.245 10 0 BBAERP [NH3+][C@@H]1COC[C@@H]1C[N@@H+]1CCCOCC1 ZINC000227617927 371905173 /nfs/dbraw/zinc/90/51/73/371905173.db2.gz RGKPOFJIIXGVOC-VHSXEESVSA-N 2 0 200.282 -0.318 10 0 BBAERP [NH3+][C@@H]1COC[C@H]1C[N@@H+]1CCCOCC1 ZINC000227617933 371905530 /nfs/dbraw/zinc/90/55/30/371905530.db2.gz RGKPOFJIIXGVOC-NXEZZACHSA-N 2 0 200.282 -0.318 10 0 BBAERP C[NH+](C)[C@@H]1CCCN(CC[C@@H]([NH3+])C(N)=O)C1 ZINC000227706687 538718314 /nfs/dbraw/zinc/71/83/14/538718314.db2.gz ZGEAMABHFOBHMZ-NXEZZACHSA-N 2 0 228.340 -0.785 10 0 BBAERP C[NH+](C)[C@H]1CCCN(CC[C@@H]([NH3+])C(N)=O)C1 ZINC000227706693 538718511 /nfs/dbraw/zinc/71/85/11/538718511.db2.gz ZGEAMABHFOBHMZ-VHSXEESVSA-N 2 0 228.340 -0.785 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227813037 174278018 /nfs/dbraw/zinc/27/80/18/174278018.db2.gz JNVMHEJLMYHOOA-GHMZBOCLSA-N 2 0 243.351 -0.192 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227813044 174277246 /nfs/dbraw/zinc/27/72/46/174277246.db2.gz JNVMHEJLMYHOOA-WDEREUQCSA-N 2 0 243.351 -0.192 10 0 BBAERP NC(=[NH2+])NC(=[NH2+])NC[C@@H]1CCSC1 ZINC000228579846 361851467 /nfs/dbraw/zinc/85/14/67/361851467.db2.gz RNHLTYPFSXKMBQ-YFKPBYRVSA-N 2 0 201.299 -0.253 10 0 BBAERP C[C@@H]1CN(C[C@@H]([NH3+])CO)C[C@H](C)[N@H+]1C ZINC000228861146 372084365 /nfs/dbraw/zinc/08/43/65/372084365.db2.gz ISKZZYLOSZCBND-KXUCPTDWSA-N 2 0 201.314 -0.670 10 0 BBAERP [NH3+]C1CC([NH2+]C2CCS(=O)CC2)C1 ZINC000229178474 372124604 /nfs/dbraw/zinc/12/46/04/372124604.db2.gz QQFKQGVQFOKVLR-UHFFFAOYSA-N 2 0 202.323 -0.023 10 0 BBAERP C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000229217786 173031381 /nfs/dbraw/zinc/03/13/81/173031381.db2.gz MUMRHKUIKUPBTH-SNVBAGLBSA-N 2 0 241.335 -0.295 10 0 BBAERP C[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000229217798 173052709 /nfs/dbraw/zinc/05/27/09/173052709.db2.gz MUMRHKUIKUPBTH-JTQLQIEISA-N 2 0 241.335 -0.295 10 0 BBAERP [NH3+]C[C@H]1CNCCN1C(=O)C(F)(F)F ZINC000229555023 345721370 /nfs/dbraw/zinc/72/13/70/345721370.db2.gz QPGFSMGJRKIYBX-YFKPBYRVSA-N 2 0 211.187 -0.692 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000229944238 640996001 /nfs/dbraw/zinc/99/60/01/640996001.db2.gz SJWAFFPCZBMDRR-LLVKDONJSA-N 2 0 243.351 -0.192 10 0 BBAERP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])COC ZINC000230711408 488109753 /nfs/dbraw/zinc/10/97/53/488109753.db2.gz QWAFYEREXFLZGL-JTQLQIEISA-N 2 0 231.340 -0.240 10 0 BBAERP CCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000230711830 358409863 /nfs/dbraw/zinc/40/98/63/358409863.db2.gz GGKHQVMUDQUMHL-GHMZBOCLSA-N 2 0 243.351 -0.491 10 0 BBAERP [NH3+][C@@H]1CCOC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000231325027 353593582 /nfs/dbraw/zinc/59/35/82/353593582.db2.gz AAQQSDPQYWRSOM-IVZWLZJFSA-N 2 0 200.282 -0.583 10 0 BBAERP [NH3+][C@@H]1CCOC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000231325032 359776793 /nfs/dbraw/zinc/77/67/93/359776793.db2.gz AAQQSDPQYWRSOM-OPRDCNLKSA-N 2 0 200.282 -0.583 10 0 BBAERP CNC(=O)NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000231669192 641191387 /nfs/dbraw/zinc/19/13/87/641191387.db2.gz MOBGVUGQTANCSD-VIFPVBQESA-N 2 0 242.323 -0.484 10 0 BBAERP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000232120305 342787892 /nfs/dbraw/zinc/78/78/92/342787892.db2.gz XMWBREOCHCKJIS-NXEZZACHSA-N 2 0 229.324 -0.487 10 0 BBAERP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000232120307 342787854 /nfs/dbraw/zinc/78/78/54/342787854.db2.gz XMWBREOCHCKJIS-ZJUUUORDSA-N 2 0 229.324 -0.487 10 0 BBAERP CO[C@@H](C[NH3+])CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000232120308 342787924 /nfs/dbraw/zinc/78/79/24/342787924.db2.gz XMWBREOCHCKJIS-VHSXEESVSA-N 2 0 229.324 -0.487 10 0 BBAERP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000232120310 342788046 /nfs/dbraw/zinc/78/80/46/342788046.db2.gz XMWBREOCHCKJIS-UWVGGRQHSA-N 2 0 229.324 -0.487 10 0 BBAERP CCC[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000233291090 487707505 /nfs/dbraw/zinc/70/75/05/487707505.db2.gz WGAWSOJNMREOEZ-SNVBAGLBSA-N 2 0 231.340 -0.192 10 0 BBAERP CCC[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000233353908 487712487 /nfs/dbraw/zinc/71/24/87/487712487.db2.gz WGAWSOJNMREOEZ-JTQLQIEISA-N 2 0 231.340 -0.192 10 0 BBAERP C[NH+](C)CCOCC[NH2+]CC(C)(C)O ZINC000234245178 342919133 /nfs/dbraw/zinc/91/91/33/342919133.db2.gz IXLPYWCHOPGEQX-UHFFFAOYSA-N 2 0 204.314 -0.075 10 0 BBAERP C[N@H+](CCOCCO)C[C@@H]1CCC[NH2+]C1 ZINC000234298396 388355493 /nfs/dbraw/zinc/35/54/93/388355493.db2.gz IVRIAQDHJWOTSL-LLVKDONJSA-N 2 0 216.325 -0.073 10 0 BBAERP C[N@H+](CCOCCO)C[C@H]1CCC[NH2+]C1 ZINC000234298467 388354992 /nfs/dbraw/zinc/35/49/92/388354992.db2.gz IVRIAQDHJWOTSL-NSHDSACASA-N 2 0 216.325 -0.073 10 0 BBAERP C[NH2+][C@H](C)C(=O)NCCOCC[NH+](C)C ZINC000234429065 388355329 /nfs/dbraw/zinc/35/53/29/388355329.db2.gz NJPUIJZAXOAZEN-SECBINFHSA-N 2 0 217.313 -0.711 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000235289177 388367408 /nfs/dbraw/zinc/36/74/08/388367408.db2.gz NNFRNLUZSKXDAS-GHMZBOCLSA-N 2 0 243.351 -0.464 10 0 BBAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+](C)C ZINC000235290659 487940577 /nfs/dbraw/zinc/94/05/77/487940577.db2.gz LBXWRTMTASGDIO-KXUCPTDWSA-N 2 0 213.325 -0.092 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000235291912 343000922 /nfs/dbraw/zinc/00/09/22/343000922.db2.gz ZXGCNKGDOWWNBQ-GMTAPVOTSA-N 2 0 225.336 -0.090 10 0 BBAERP C[C@H](O)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000235545333 343048076 /nfs/dbraw/zinc/04/80/76/343048076.db2.gz HDUGLQYPLJJBGN-LBPRGKRZSA-N 2 0 241.379 -0.016 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000236170510 346203861 /nfs/dbraw/zinc/20/38/61/346203861.db2.gz CIWJTLSNVULSDH-AATLWQCWSA-N 2 0 200.282 -0.849 10 0 BBAERP [NH3+]CCCc1nc2n(n1)[C@H](C[NH3+])CCN2 ZINC000236188252 582641238 /nfs/dbraw/zinc/64/12/38/582641238.db2.gz KBJFSOZJZSZCCP-ZETCQYMHSA-N 2 0 210.285 -0.515 10 0 BBAERP [NH3+]CCCc1nc2n(n1)[C@@H](C[NH3+])CCN2 ZINC000236188581 582641037 /nfs/dbraw/zinc/64/10/37/582641037.db2.gz KBJFSOZJZSZCCP-SSDOTTSWSA-N 2 0 210.285 -0.515 10 0 BBAERP [NH3+]CCCc1nc2nccc(C[NH3+])n2n1 ZINC000236189050 643608930 /nfs/dbraw/zinc/60/89/30/643608930.db2.gz RSHAEGRHUNGVHJ-UHFFFAOYSA-N 2 0 206.253 -0.526 10 0 BBAERP [NH3+]CCc1nc2n(n1)[C@H]1CC[NH2+]C[C@H]1CN2 ZINC000236246823 582643390 /nfs/dbraw/zinc/64/33/90/582643390.db2.gz ZKRIEUPWOVEZHT-YUMQZZPRSA-N 2 0 222.296 -0.645 10 0 BBAERP [NH3+]CCc1nc2n(n1)[C@@H]1CC[NH2+]C[C@H]1CN2 ZINC000236246891 582643271 /nfs/dbraw/zinc/64/32/71/582643271.db2.gz ZKRIEUPWOVEZHT-JGVFFNPUSA-N 2 0 222.296 -0.645 10 0 BBAERP [NH3+]CCc1nc2n(n1)[C@H]1CC[NH2+]C[C@@H]1CN2 ZINC000236247368 582643327 /nfs/dbraw/zinc/64/33/27/582643327.db2.gz ZKRIEUPWOVEZHT-SFYZADRCSA-N 2 0 222.296 -0.645 10 0 BBAERP [NH3+]CCc1nc2n(n1)[C@@H]1CC[NH2+]C[C@@H]1CN2 ZINC000236247438 582643075 /nfs/dbraw/zinc/64/30/75/582643075.db2.gz ZKRIEUPWOVEZHT-HTQZYQBOSA-N 2 0 222.296 -0.645 10 0 BBAERP [NH3+]CCc1nc2ncc3c(n2n1)CC[NH2+]C3 ZINC000236247659 582643079 /nfs/dbraw/zinc/64/30/79/582643079.db2.gz UVSMZEIQBZWRIH-UHFFFAOYSA-N 2 0 218.264 -0.729 10 0 BBAERP [NH3+][C@@H]1CCC[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000236303708 346225419 /nfs/dbraw/zinc/22/54/19/346225419.db2.gz DMCSBDPNAMEFNU-KYXWUPHJSA-N 2 0 200.282 -0.706 10 0 BBAERP [NH3+][C@@H]1CCC[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000236310453 346223931 /nfs/dbraw/zinc/22/39/31/346223931.db2.gz DMCSBDPNAMEFNU-RGOKHQFPSA-N 2 0 200.282 -0.706 10 0 BBAERP O[C@@H]1C[NH+](CC2CC[NH2+]CC2)C[C@H]1O ZINC000236526853 183206363 /nfs/dbraw/zinc/20/63/63/183206363.db2.gz HYVWFUOQLRJQJQ-NXEZZACHSA-N 2 0 200.282 -0.977 10 0 BBAERP O[C@H]1C[NH+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000236584104 183242665 /nfs/dbraw/zinc/24/26/65/183242665.db2.gz HYVWFUOQLRJQJQ-UWVGGRQHSA-N 2 0 200.282 -0.977 10 0 BBAERP O[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000236584122 183242613 /nfs/dbraw/zinc/24/26/13/183242613.db2.gz HYVWFUOQLRJQJQ-AOOOYVTPSA-N 2 0 200.282 -0.977 10 0 BBAERP O[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000236590267 183243228 /nfs/dbraw/zinc/24/32/28/183243228.db2.gz DDRZHLKYEDBBAY-BBBLOLIVSA-N 2 0 200.282 -0.977 10 0 BBAERP O[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000236590947 183243732 /nfs/dbraw/zinc/24/37/32/183243732.db2.gz DDRZHLKYEDBBAY-LPEHRKFASA-N 2 0 200.282 -0.977 10 0 BBAERP CCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000236855412 343113583 /nfs/dbraw/zinc/11/35/83/343113583.db2.gz JCHHJEMKHNYXDY-JTQLQIEISA-N 2 0 228.340 -0.865 10 0 BBAERP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000237104755 536456769 /nfs/dbraw/zinc/45/67/69/536456769.db2.gz OZDZZCHXIUAXGT-ZJUUUORDSA-N 2 0 211.309 -0.194 10 0 BBAERP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000237112619 388389774 /nfs/dbraw/zinc/38/97/74/388389774.db2.gz OZDZZCHXIUAXGT-UWVGGRQHSA-N 2 0 211.309 -0.194 10 0 BBAERP COCC[NH2+]CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000237148528 343127462 /nfs/dbraw/zinc/12/74/62/343127462.db2.gz BPOYGMRERDQWKM-SECBINFHSA-N 2 0 215.297 -0.828 10 0 BBAERP COCC[NH2+]CC(=O)N1CCC[C@H]1C[NH3+] ZINC000237150401 343127075 /nfs/dbraw/zinc/12/70/75/343127075.db2.gz BPOYGMRERDQWKM-VIFPVBQESA-N 2 0 215.297 -0.828 10 0 BBAERP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000237206682 173363542 /nfs/dbraw/zinc/36/35/42/173363542.db2.gz SCAQNEYWQRRHGP-MNOVXSKESA-N 2 0 243.351 -0.321 10 0 BBAERP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000237240206 388391639 /nfs/dbraw/zinc/39/16/39/388391639.db2.gz OZDZZCHXIUAXGT-NXEZZACHSA-N 2 0 211.309 -0.194 10 0 BBAERP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000237246418 388391684 /nfs/dbraw/zinc/39/16/84/388391684.db2.gz OZDZZCHXIUAXGT-VHSXEESVSA-N 2 0 211.309 -0.194 10 0 BBAERP C[C@](C[NH3+])(NC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000237602453 259684371 /nfs/dbraw/zinc/68/43/71/259684371.db2.gz ODOIWBAGRDIUBK-LDYMZIIASA-N 2 0 211.309 -0.161 10 0 BBAERP C[C@](C[NH3+])(NC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000237605874 343157105 /nfs/dbraw/zinc/15/71/05/343157105.db2.gz ODOIWBAGRDIUBK-GZMMTYOYSA-N 2 0 211.309 -0.161 10 0 BBAERP C[C@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000237622488 343158713 /nfs/dbraw/zinc/15/87/13/343158713.db2.gz WLKYZSDSGIOMFP-IVZWLZJFSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000237631046 343161238 /nfs/dbraw/zinc/16/12/38/343161238.db2.gz WLKYZSDSGIOMFP-LPEHRKFASA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@](C[NH3+])(NC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000237631458 388398036 /nfs/dbraw/zinc/39/80/36/388398036.db2.gz ODOIWBAGRDIUBK-KCJUWKMLSA-N 2 0 211.309 -0.161 10 0 BBAERP C[C@@](C[NH3+])(NC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000237633807 343161158 /nfs/dbraw/zinc/16/11/58/343161158.db2.gz ODOIWBAGRDIUBK-KWQFWETISA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000237826261 487518489 /nfs/dbraw/zinc/51/84/89/487518489.db2.gz FTCCHOCXKHPMQQ-BBBLOLIVSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000237827061 487518477 /nfs/dbraw/zinc/51/84/77/487518477.db2.gz HDQSYWLESWWZEI-OPRDCNLKSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000237839048 388399181 /nfs/dbraw/zinc/39/91/81/388399181.db2.gz XMPPERIKCHCPSO-ZJUUUORDSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000237841963 388399759 /nfs/dbraw/zinc/39/97/59/388399759.db2.gz XMPPERIKCHCPSO-UWVGGRQHSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000237932202 487535423 /nfs/dbraw/zinc/53/54/23/487535423.db2.gz MNDZSJDSAMGXIE-BDAKNGLRSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000237935877 487535474 /nfs/dbraw/zinc/53/54/74/487535474.db2.gz VWSDKRNYCTWEMF-KXUCPTDWSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@H]1CC[C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000237939721 487536418 /nfs/dbraw/zinc/53/64/18/487536418.db2.gz MNDZSJDSAMGXIE-IUCAKERBSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000237942864 487536052 /nfs/dbraw/zinc/53/60/52/487536052.db2.gz VWSDKRNYCTWEMF-LPEHRKFASA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000237950878 388399651 /nfs/dbraw/zinc/39/96/51/388399651.db2.gz XMPPERIKCHCPSO-NXEZZACHSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000237952978 388399172 /nfs/dbraw/zinc/39/91/72/388399172.db2.gz XMPPERIKCHCPSO-VHSXEESVSA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000237989341 487547187 /nfs/dbraw/zinc/54/71/87/487547187.db2.gz MNDZSJDSAMGXIE-RKDXNWHRSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000237991921 487547633 /nfs/dbraw/zinc/54/76/33/487547633.db2.gz VWSDKRNYCTWEMF-OPRDCNLKSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CC[C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000237995201 487546937 /nfs/dbraw/zinc/54/69/37/487546937.db2.gz MNDZSJDSAMGXIE-DTWKUNHWSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000237997516 487547020 /nfs/dbraw/zinc/54/70/20/487547020.db2.gz FTCCHOCXKHPMQQ-GUBZILKMSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000237997639 487547836 /nfs/dbraw/zinc/54/78/36/487547836.db2.gz VWSDKRNYCTWEMF-IVZWLZJFSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000237998123 487638435 /nfs/dbraw/zinc/63/84/35/487638435.db2.gz HDQSYWLESWWZEI-AEJSXWLSSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]CC1(NC(=O)[C@@H]2CC[NH2+]C2)CCCC1 ZINC000238018198 387930652 /nfs/dbraw/zinc/93/06/52/387930652.db2.gz XDPAFUCDVCZFPJ-SECBINFHSA-N 2 0 211.309 -0.016 10 0 BBAERP [NH3+]CC1(NC(=O)[C@H]2CC[NH2+]C2)CCCC1 ZINC000238018265 388400147 /nfs/dbraw/zinc/40/01/47/388400147.db2.gz XDPAFUCDVCZFPJ-VIFPVBQESA-N 2 0 211.309 -0.016 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000238035173 487557157 /nfs/dbraw/zinc/55/71/57/487557157.db2.gz FTCCHOCXKHPMQQ-AEJSXWLSSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000238035782 487557226 /nfs/dbraw/zinc/55/72/26/487557226.db2.gz HDQSYWLESWWZEI-IVZWLZJFSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000238072834 487559967 /nfs/dbraw/zinc/55/99/67/487559967.db2.gz FTCCHOCXKHPMQQ-UTLUCORTSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000238073385 487560112 /nfs/dbraw/zinc/56/01/12/487560112.db2.gz HDQSYWLESWWZEI-BBBLOLIVSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]CCSCC(O)CSCC[NH3+] ZINC000238595112 343258179 /nfs/dbraw/zinc/25/81/79/343258179.db2.gz WZQGABTUZSBJMJ-UHFFFAOYSA-N 2 0 210.368 -0.269 10 0 BBAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH3+])C[C@@H]1C ZINC000246189215 385120727 /nfs/dbraw/zinc/12/07/27/385120727.db2.gz CZNTYILKQOMHQI-UWVGGRQHSA-N 2 0 229.324 -0.751 10 0 BBAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH3+])C[C@H]1C ZINC000246189389 385120777 /nfs/dbraw/zinc/12/07/77/385120777.db2.gz CZNTYILKQOMHQI-ZJUUUORDSA-N 2 0 229.324 -0.751 10 0 BBAERP CC[C@H]1CN(C(=O)C[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000246220638 385124007 /nfs/dbraw/zinc/12/40/07/385124007.db2.gz GSBBXAQWCAVNHW-QWRGUYRKSA-N 2 0 243.351 -0.491 10 0 BBAERP CC[C@@H]1CN(C(=O)C[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000246220648 171063342 /nfs/dbraw/zinc/06/33/42/171063342.db2.gz GSBBXAQWCAVNHW-WDEREUQCSA-N 2 0 243.351 -0.491 10 0 BBAERP CC[C@@H]1CN(C(=O)CC[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246238247 171064160 /nfs/dbraw/zinc/06/41/60/171064160.db2.gz IKRGQTIOXAYJMS-WDEREUQCSA-N 2 0 243.351 -0.361 10 0 BBAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CCC[NH3+])C[C@H]1C ZINC000246250821 644575577 /nfs/dbraw/zinc/57/55/77/644575577.db2.gz JVCMXFFOCDNSHK-MNOVXSKESA-N 2 0 243.351 -0.361 10 0 BBAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CCC[NH3+])C[C@@H]1C ZINC000246250829 644576361 /nfs/dbraw/zinc/57/63/61/644576361.db2.gz JVCMXFFOCDNSHK-QWRGUYRKSA-N 2 0 243.351 -0.361 10 0 BBAERP CC[C@@H]1CN(C(=O)C[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000246286361 171063625 /nfs/dbraw/zinc/06/36/25/171063625.db2.gz MYCLFURBYVHBCT-VHSXEESVSA-N 2 0 229.324 -0.751 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H](C)[NH2+]1 ZINC000246575073 349102182 /nfs/dbraw/zinc/10/21/82/349102182.db2.gz BZTKSYRSCZKEIK-AEJSXWLSSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 ZINC000246575078 349102102 /nfs/dbraw/zinc/10/21/02/349102102.db2.gz BZTKSYRSCZKEIK-BBBLOLIVSA-N 2 0 211.309 -0.195 10 0 BBAERP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000246665871 349103532 /nfs/dbraw/zinc/10/35/32/349103532.db2.gz DVQPFBQWYKPVRK-AEJSXWLSSA-N 2 0 211.309 -0.018 10 0 BBAERP O=C(N1CC[N@@H+]2CCC[C@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000246748687 644603986 /nfs/dbraw/zinc/60/39/86/644603986.db2.gz ZRXPAKZEUVFCKX-CMPLNLGQSA-N 2 0 241.310 -0.005 10 0 BBAERP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000246750050 644604351 /nfs/dbraw/zinc/60/43/51/644604351.db2.gz ZRXPAKZEUVFCKX-ZYHUDNBSSA-N 2 0 241.310 -0.005 10 0 BBAERP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000246907670 349109136 /nfs/dbraw/zinc/10/91/36/349109136.db2.gz KHMHTHIYAPIINN-AEJSXWLSSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000246907688 345276988 /nfs/dbraw/zinc/27/69/88/345276988.db2.gz KHMHTHIYAPIINN-BBBLOLIVSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000246907701 349108991 /nfs/dbraw/zinc/10/89/91/349108991.db2.gz KHMHTHIYAPIINN-IVZWLZJFSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000246907709 349108510 /nfs/dbraw/zinc/10/85/10/349108510.db2.gz KHMHTHIYAPIINN-OPRDCNLKSA-N 2 0 211.309 -0.018 10 0 BBAERP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CC[NH2+]C1 ZINC000247103780 349104668 /nfs/dbraw/zinc/10/46/68/349104668.db2.gz KRXNBFDAZUORBJ-BBBLOLIVSA-N 2 0 211.309 -0.066 10 0 BBAERP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CC[NH2+]C1 ZINC000247103797 349104816 /nfs/dbraw/zinc/10/48/16/349104816.db2.gz KRXNBFDAZUORBJ-OPRDCNLKSA-N 2 0 211.309 -0.066 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[NH2+]C3CC3)C[C@H]12 ZINC000248559219 350862773 /nfs/dbraw/zinc/86/27/73/350862773.db2.gz AMKGBHIHCBTIEK-DVVUODLYSA-N 2 0 223.320 -0.066 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C[NH2+]C3CC3)C[C@H]12 ZINC000248559222 349137475 /nfs/dbraw/zinc/13/74/75/349137475.db2.gz AMKGBHIHCBTIEK-INTQDDNPSA-N 2 0 223.320 -0.066 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@@H]12 ZINC000248598241 644688675 /nfs/dbraw/zinc/68/86/75/644688675.db2.gz IOVLWFAJPRDALB-BFLSOPEQSA-N 2 0 241.310 -0.116 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)C[C@@H]12 ZINC000248598242 644687926 /nfs/dbraw/zinc/68/79/26/644687926.db2.gz IOVLWFAJPRDALB-DNRKLUKYSA-N 2 0 241.310 -0.116 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)C[C@H]12 ZINC000248598243 644689350 /nfs/dbraw/zinc/68/93/50/644689350.db2.gz IOVLWFAJPRDALB-DTHBNOIPSA-N 2 0 241.310 -0.116 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@H]12 ZINC000248598244 644689326 /nfs/dbraw/zinc/68/93/26/644689326.db2.gz IOVLWFAJPRDALB-KLBPJQLPSA-N 2 0 241.310 -0.116 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000248886360 487992818 /nfs/dbraw/zinc/99/28/18/487992818.db2.gz UPICGLIMWZEAAV-GUBZILKMSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000248886362 487993153 /nfs/dbraw/zinc/99/31/53/487993153.db2.gz UPICGLIMWZEAAV-LPEHRKFASA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000248892916 176459554 /nfs/dbraw/zinc/45/95/54/176459554.db2.gz WVUCSZQPHZUFRQ-IVZWLZJFSA-N 2 0 211.309 -0.005 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)C[C@@H]12 ZINC000249000818 349152986 /nfs/dbraw/zinc/15/29/86/349152986.db2.gz ORQBRFPDFMDSPM-RCZSTQMZSA-N 2 0 241.310 -0.118 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)C[C@H]12 ZINC000249000822 349152972 /nfs/dbraw/zinc/15/29/72/349152972.db2.gz ORQBRFPDFMDSPM-ZKKRXERASA-N 2 0 241.310 -0.118 10 0 BBAERP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000249873301 349165308 /nfs/dbraw/zinc/16/53/08/349165308.db2.gz GOABRZOTWGEFKZ-KXUCPTDWSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000249873303 349165661 /nfs/dbraw/zinc/16/56/61/349165661.db2.gz GOABRZOTWGEFKZ-UTLUCORTSA-N 2 0 211.309 -0.290 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000249997644 174276793 /nfs/dbraw/zinc/27/67/93/174276793.db2.gz QIQCIAJOXWWCLS-GHMZBOCLSA-N 2 0 243.351 -0.192 10 0 BBAERP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000249997650 174277204 /nfs/dbraw/zinc/27/72/04/174277204.db2.gz QIQCIAJOXWWCLS-WDEREUQCSA-N 2 0 243.351 -0.192 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000250348963 362799370 /nfs/dbraw/zinc/79/93/70/362799370.db2.gz IQMQWYBUPIYKBY-GHMZBOCLSA-N 2 0 213.325 -0.389 10 0 BBAERP C[NH+](C)[C@H]1CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000250348965 362800590 /nfs/dbraw/zinc/80/05/90/362800590.db2.gz IQMQWYBUPIYKBY-WDEREUQCSA-N 2 0 213.325 -0.389 10 0 BBAERP C[NH+](C)[C@@H]1CCCN([C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000250349986 537920317 /nfs/dbraw/zinc/92/03/17/537920317.db2.gz JERFEVLGCQKOKG-GMTAPVOTSA-N 2 0 213.325 -0.655 10 0 BBAERP COCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250473348 644759429 /nfs/dbraw/zinc/75/94/29/644759429.db2.gz RRGOOMGVZJYEDM-QWRGUYRKSA-N 2 0 241.335 -0.343 10 0 BBAERP COCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250473353 644760462 /nfs/dbraw/zinc/76/04/62/644760462.db2.gz RRGOOMGVZJYEDM-WDEREUQCSA-N 2 0 241.335 -0.343 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250595520 487612257 /nfs/dbraw/zinc/61/22/57/487612257.db2.gz IPYCMLZYHRBIKG-UWVGGRQHSA-N 2 0 211.309 -0.194 10 0 BBAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250595524 487735636 /nfs/dbraw/zinc/73/56/36/487735636.db2.gz IPYCMLZYHRBIKG-VHSXEESVSA-N 2 0 211.309 -0.194 10 0 BBAERP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2COCCO2)C1 ZINC000250827292 362822815 /nfs/dbraw/zinc/82/28/15/362822815.db2.gz HVZNRJHDFVDWIA-UWVGGRQHSA-N 2 0 200.282 -0.318 10 0 BBAERP [NH3+]C[C@H]1CC[N@H+](C[C@H]2COCCO2)C1 ZINC000250827295 362822765 /nfs/dbraw/zinc/82/27/65/362822765.db2.gz HVZNRJHDFVDWIA-ZJUUUORDSA-N 2 0 200.282 -0.318 10 0 BBAERP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251017297 349181958 /nfs/dbraw/zinc/18/19/58/349181958.db2.gz BFPNVAFZVDNIKJ-UWVGGRQHSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH2+][C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251017299 349181803 /nfs/dbraw/zinc/18/18/03/349181803.db2.gz BFPNVAFZVDNIKJ-ZJUUUORDSA-N 2 0 211.309 -0.099 10 0 BBAERP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000251420839 182335054 /nfs/dbraw/zinc/33/50/54/182335054.db2.gz SEWCENCOWDWGHM-UWVGGRQHSA-N 2 0 223.320 -0.051 10 0 BBAERP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000251420843 182301510 /nfs/dbraw/zinc/30/15/10/182301510.db2.gz SEWCENCOWDWGHM-VHSXEESVSA-N 2 0 223.320 -0.051 10 0 BBAERP C([C@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251525118 487765836 /nfs/dbraw/zinc/76/58/36/487765836.db2.gz XDRRRVJCIXSEFC-NWDGAFQWSA-N 2 0 225.336 -0.245 10 0 BBAERP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@H]1[NH+](C)C ZINC000251540784 487766165 /nfs/dbraw/zinc/76/61/65/487766165.db2.gz ASZGAPDHVFXYOG-GRYCIOLGSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@H]1[NH+](C)C ZINC000251540798 487766934 /nfs/dbraw/zinc/76/69/34/487766934.db2.gz ASZGAPDHVFXYOG-IJLUTSLNSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@@H]1[NH+](C)C ZINC000251540806 487767115 /nfs/dbraw/zinc/76/71/15/487767115.db2.gz ASZGAPDHVFXYOG-UTUOFQBUSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COCC[NH3+] ZINC000251711685 491079350 /nfs/dbraw/zinc/07/93/50/491079350.db2.gz JLUVZHNDGOVKOH-MNOVXSKESA-N 2 0 241.335 -0.343 10 0 BBAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COCC[NH3+] ZINC000251711688 491079357 /nfs/dbraw/zinc/07/93/57/491079357.db2.gz JLUVZHNDGOVKOH-QWRGUYRKSA-N 2 0 241.335 -0.343 10 0 BBAERP C[C@@H]1COCCN1C[C@H]1COC[C@H]1[NH3+] ZINC000251760385 362907797 /nfs/dbraw/zinc/90/77/97/362907797.db2.gz LUAZXCBWFAWRGT-KXUCPTDWSA-N 2 0 200.282 -0.319 10 0 BBAERP C[C@@H]1COCCN1C[C@@H]1COC[C@H]1[NH3+] ZINC000251760387 362907637 /nfs/dbraw/zinc/90/76/37/362907637.db2.gz LUAZXCBWFAWRGT-OPRDCNLKSA-N 2 0 200.282 -0.319 10 0 BBAERP C[C@@H]1COCCN1C[C@H]1COC[C@@H]1[NH3+] ZINC000251760388 362907267 /nfs/dbraw/zinc/90/72/67/362907267.db2.gz LUAZXCBWFAWRGT-UTLUCORTSA-N 2 0 200.282 -0.319 10 0 BBAERP C[C@H]([NH3+])[C@@H](CO)N1CC[N@H+](C)[C@H](C)C1 ZINC000251834912 350905008 /nfs/dbraw/zinc/90/50/08/350905008.db2.gz PXFCQKGKZVAVHX-KXUCPTDWSA-N 2 0 201.314 -0.670 10 0 BBAERP C[C@H]([NH3+])[C@H](CO)N1CC[N@H+](C)[C@H](C)C1 ZINC000251834913 362932172 /nfs/dbraw/zinc/93/21/72/362932172.db2.gz PXFCQKGKZVAVHX-UTLUCORTSA-N 2 0 201.314 -0.670 10 0 BBAERP C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@H]1[NH+](C)C ZINC000251854610 388757053 /nfs/dbraw/zinc/75/70/53/388757053.db2.gz RVGTWRUQZWRBPC-CHWSQXEVSA-N 2 0 240.395 -0.227 10 0 BBAERP C[C@H]1CN(CCN2CC[NH2+]CC2)C[C@H]1[NH+](C)C ZINC000251854615 388756011 /nfs/dbraw/zinc/75/60/11/388756011.db2.gz RVGTWRUQZWRBPC-QWHCGFSZSA-N 2 0 240.395 -0.227 10 0 BBAERP C[C@@H]1CN(CCOCC[NH3+])C[C@H]1[NH+](C)C ZINC000251855069 135078753 /nfs/dbraw/zinc/07/87/53/135078753.db2.gz RVVZQWFPFOZOTK-GHMZBOCLSA-N 2 0 215.341 -0.156 10 0 BBAERP C[C@H]1CN(CCOCC[NH3+])C[C@H]1[NH+](C)C ZINC000251855070 135079320 /nfs/dbraw/zinc/07/93/20/135079320.db2.gz RVVZQWFPFOZOTK-WDEREUQCSA-N 2 0 215.341 -0.156 10 0 BBAERP C[N@@H+]1CC[C@H](C[NH2+][C@H]2COC[C@H]2O)C1 ZINC000252450099 363257763 /nfs/dbraw/zinc/25/77/63/363257763.db2.gz COHMEUGQFKKXPX-KXUCPTDWSA-N 2 0 200.282 -0.713 10 0 BBAERP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2COC[C@H]2O)C1 ZINC000252450100 363256784 /nfs/dbraw/zinc/25/67/84/363256784.db2.gz COHMEUGQFKKXPX-OPRDCNLKSA-N 2 0 200.282 -0.713 10 0 BBAERP C[N@@H+]1CC[C@H](C[NH2+][C@H]2COC[C@@H]2O)C1 ZINC000252450101 363256812 /nfs/dbraw/zinc/25/68/12/363256812.db2.gz COHMEUGQFKKXPX-UTLUCORTSA-N 2 0 200.282 -0.713 10 0 BBAERP COC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000252459688 388766246 /nfs/dbraw/zinc/76/62/46/388766246.db2.gz RRVXWZAQWWCYEY-WDEREUQCSA-N 2 0 216.325 -0.123 10 0 BBAERP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544353 644864778 /nfs/dbraw/zinc/86/47/78/644864778.db2.gz ICAICLPNQGIEKW-OUAUKWLOSA-N 2 0 241.335 -0.426 10 0 BBAERP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544354 644864948 /nfs/dbraw/zinc/86/49/48/644864948.db2.gz ICAICLPNQGIEKW-VWYCJHECSA-N 2 0 241.335 -0.426 10 0 BBAERP NC(=[NH2+])NC(=[NH2+])N[C@H]1CCCSC1 ZINC000252978567 368177177 /nfs/dbraw/zinc/17/71/77/368177177.db2.gz CNGYWVCLBDHIFF-YFKPBYRVSA-N 2 0 201.299 -0.111 10 0 BBAERP C[C@H]1CN(C(=[NH2+])NC(N)=[NH2+])CCS1 ZINC000252979666 368177233 /nfs/dbraw/zinc/17/72/33/368177233.db2.gz IXAQWYSOBJLYKC-YFKPBYRVSA-N 2 0 201.299 -0.158 10 0 BBAERP [NH3+]C[C@H]1CN([C@H]2CCCOC2)CCO1 ZINC000253150132 368560874 /nfs/dbraw/zinc/56/08/74/368560874.db2.gz DSQWMZSHXCSBFN-UWVGGRQHSA-N 2 0 200.282 -0.175 10 0 BBAERP [NH3+][C@@H]1CCCN(C(=O)N2CC[NH2+]CC2)C1 ZINC000253567407 385684044 /nfs/dbraw/zinc/68/40/44/385684044.db2.gz JZWNHTOVOGSGLR-SECBINFHSA-N 2 0 212.297 -0.565 10 0 BBAERP [NH3+][C@H]1CCCN(C(=O)N2CC[NH2+]CC2)C1 ZINC000253567408 385684169 /nfs/dbraw/zinc/68/41/69/385684169.db2.gz JZWNHTOVOGSGLR-VIFPVBQESA-N 2 0 212.297 -0.565 10 0 BBAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000257652169 349470367 /nfs/dbraw/zinc/47/03/67/349470367.db2.gz BNWXDQQMOPNJLB-BBBLOLIVSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000257652171 349470398 /nfs/dbraw/zinc/47/03/98/349470398.db2.gz BNWXDQQMOPNJLB-KXUCPTDWSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000257652172 349470340 /nfs/dbraw/zinc/47/03/40/349470340.db2.gz BNWXDQQMOPNJLB-OPRDCNLKSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000257652173 349470438 /nfs/dbraw/zinc/47/04/38/349470438.db2.gz BNWXDQQMOPNJLB-UTLUCORTSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000257656481 488076578 /nfs/dbraw/zinc/07/65/78/488076578.db2.gz CMUOOMKIVPFYSP-AEJSXWLSSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000257656482 488075876 /nfs/dbraw/zinc/07/58/76/488075876.db2.gz CMUOOMKIVPFYSP-IVZWLZJFSA-N 2 0 211.309 -0.018 10 0 BBAERP O=C(NCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000257675567 349471054 /nfs/dbraw/zinc/47/10/54/349471054.db2.gz HQPOXVILTRUFPQ-JTQLQIEISA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000257675570 488079070 /nfs/dbraw/zinc/07/90/70/488079070.db2.gz HQPOXVILTRUFPQ-SNVBAGLBSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C([C@H]1CC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000257707204 642509081 /nfs/dbraw/zinc/50/90/81/642509081.db2.gz RQDWRTMTODWRLY-CMPLNLGQSA-N 2 0 223.320 -0.050 10 0 BBAERP O=C([C@H]1CC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257707205 634472343 /nfs/dbraw/zinc/47/23/43/634472343.db2.gz RQDWRTMTODWRLY-JQWIXIFHSA-N 2 0 223.320 -0.050 10 0 BBAERP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257707206 634473064 /nfs/dbraw/zinc/47/30/64/634473064.db2.gz RQDWRTMTODWRLY-PWSUYJOCSA-N 2 0 223.320 -0.050 10 0 BBAERP O=C([C@@H]1CC[NH2+]C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000257707207 634473989 /nfs/dbraw/zinc/47/39/89/634473989.db2.gz RQDWRTMTODWRLY-ZYHUDNBSSA-N 2 0 223.320 -0.050 10 0 BBAERP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000257707927 349482133 /nfs/dbraw/zinc/48/21/33/349482133.db2.gz PXXVMEYWTXFOOG-NXEZZACHSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000257707928 488084401 /nfs/dbraw/zinc/08/44/01/488084401.db2.gz PXXVMEYWTXFOOG-UWVGGRQHSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000257707929 349482167 /nfs/dbraw/zinc/48/21/67/349482167.db2.gz PXXVMEYWTXFOOG-VHSXEESVSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000257708323 488084268 /nfs/dbraw/zinc/08/42/68/488084268.db2.gz PXXVMEYWTXFOOG-ZJUUUORDSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000257712389 349481917 /nfs/dbraw/zinc/48/19/17/349481917.db2.gz RDUYMFIDYMRBLE-NXEZZACHSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000257712390 349482192 /nfs/dbraw/zinc/48/21/92/349482192.db2.gz RDUYMFIDYMRBLE-UWVGGRQHSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000257712391 349481903 /nfs/dbraw/zinc/48/19/03/349481903.db2.gz RDUYMFIDYMRBLE-VHSXEESVSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000257712392 349482026 /nfs/dbraw/zinc/48/20/26/349482026.db2.gz RDUYMFIDYMRBLE-ZJUUUORDSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C([C@H]1CC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257732618 349482823 /nfs/dbraw/zinc/48/28/23/349482823.db2.gz XKTRKTILZTXENM-CMPLNLGQSA-N 2 0 223.320 -0.192 10 0 BBAERP O=C([C@H]1CC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257732619 349482978 /nfs/dbraw/zinc/48/29/78/349482978.db2.gz XKTRKTILZTXENM-JQWIXIFHSA-N 2 0 223.320 -0.192 10 0 BBAERP O=C([C@@H]1CC[NH2+]C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257732620 349483071 /nfs/dbraw/zinc/48/30/71/349483071.db2.gz XKTRKTILZTXENM-PWSUYJOCSA-N 2 0 223.320 -0.192 10 0 BBAERP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257732621 349483020 /nfs/dbraw/zinc/48/30/20/349483020.db2.gz XKTRKTILZTXENM-ZYHUDNBSSA-N 2 0 223.320 -0.192 10 0 BBAERP [NH3+]CCN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000257750378 135141569 /nfs/dbraw/zinc/14/15/69/135141569.db2.gz HYMDFPKFWRLLRB-GFCCVEGCSA-N 2 0 227.352 -0.011 10 0 BBAERP [NH3+]CCN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000257750379 135141639 /nfs/dbraw/zinc/14/16/39/135141639.db2.gz HYMDFPKFWRLLRB-LBPRGKRZSA-N 2 0 227.352 -0.011 10 0 BBAERP CN1CC[NH+](C2CCN(CC[NH3+])CC2)CC1 ZINC000257756296 582682842 /nfs/dbraw/zinc/68/28/42/582682842.db2.gz PENQDRFUJMTUFZ-UHFFFAOYSA-N 2 0 226.368 -0.343 10 0 BBAERP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCCC[NH2+]C1 ZINC000258264779 384557779 /nfs/dbraw/zinc/55/77/79/384557779.db2.gz AZJWGVUKHCDHFA-NXEZZACHSA-N 2 0 226.324 -0.210 10 0 BBAERP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCCC[NH2+]C1 ZINC000258264788 349501762 /nfs/dbraw/zinc/50/17/62/349501762.db2.gz AZJWGVUKHCDHFA-UWVGGRQHSA-N 2 0 226.324 -0.210 10 0 BBAERP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCCC[NH2+]C1 ZINC000258264798 384559722 /nfs/dbraw/zinc/55/97/22/384559722.db2.gz AZJWGVUKHCDHFA-VHSXEESVSA-N 2 0 226.324 -0.210 10 0 BBAERP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCCC[NH2+]C1 ZINC000258264807 349501781 /nfs/dbraw/zinc/50/17/81/349501781.db2.gz AZJWGVUKHCDHFA-ZJUUUORDSA-N 2 0 226.324 -0.210 10 0 BBAERP O=C(NCC1CC[NH2+]CC1)NC1C[NH2+]C1 ZINC000258402536 635131944 /nfs/dbraw/zinc/13/19/44/635131944.db2.gz ILFBAYCAPJEJAN-UHFFFAOYSA-N 2 0 212.297 -0.743 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000258439349 488118080 /nfs/dbraw/zinc/11/80/80/488118080.db2.gz JSLMQKMRTWDKEC-BDAKNGLRSA-N 2 0 212.297 -0.743 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000258439351 384575238 /nfs/dbraw/zinc/57/52/38/384575238.db2.gz JSLMQKMRTWDKEC-DTWKUNHWSA-N 2 0 212.297 -0.743 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)N[C@H]1CC[NH2+]C1 ZINC000258439352 488118106 /nfs/dbraw/zinc/11/81/06/488118106.db2.gz JSLMQKMRTWDKEC-IUCAKERBSA-N 2 0 212.297 -0.743 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)N[C@@H]1CC[NH2+]C1 ZINC000258439354 384576259 /nfs/dbraw/zinc/57/62/59/384576259.db2.gz JSLMQKMRTWDKEC-RKDXNWHRSA-N 2 0 212.297 -0.743 10 0 BBAERP C[N@@H+]1CCC[C@@H](NC(=O)NC2C[NH2+]C2)C1 ZINC000258604331 488124803 /nfs/dbraw/zinc/12/48/03/488124803.db2.gz QUNJKXNJGJRGSB-MRVPVSSYSA-N 2 0 212.297 -0.648 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)NC2C[NH2+]C2)C1 ZINC000258604352 488124824 /nfs/dbraw/zinc/12/48/24/488124824.db2.gz QUNJKXNJGJRGSB-QMMMGPOBSA-N 2 0 212.297 -0.648 10 0 BBAERP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1C[NH2+]C1 ZINC000258682498 536371364 /nfs/dbraw/zinc/37/13/64/536371364.db2.gz TYOPPKLHKJECJH-SECBINFHSA-N 2 0 212.297 -0.648 10 0 BBAERP C[N@@H+]1CCC[C@H]1CNC(=O)NC1C[NH2+]C1 ZINC000258682500 135133557 /nfs/dbraw/zinc/13/35/57/135133557.db2.gz TYOPPKLHKJECJH-VIFPVBQESA-N 2 0 212.297 -0.648 10 0 BBAERP C[NH+]1CCC(NC(=O)C2CC([NH3+])C2)CC1 ZINC000258744904 635193939 /nfs/dbraw/zinc/19/39/39/635193939.db2.gz PPHHRFZBQWDXDC-UHFFFAOYSA-N 2 0 211.309 -0.066 10 0 BBAERP C[N@@H+]1CC[C@@H](CNC(=O)C2CC([NH3+])C2)C1 ZINC000258754238 635196055 /nfs/dbraw/zinc/19/60/55/635196055.db2.gz QMQZGAOEGCMYQD-IDKOKCKLSA-N 2 0 211.309 -0.208 10 0 BBAERP C[N@@H+]1CC[C@H](CNC(=O)C2CC([NH3+])C2)C1 ZINC000258754239 635195716 /nfs/dbraw/zinc/19/57/16/635195716.db2.gz QMQZGAOEGCMYQD-XNWIYYODSA-N 2 0 211.309 -0.208 10 0 BBAERP O=C(NC[C@H]1CCCC[NH2+]1)NC1C[NH2+]C1 ZINC000258785873 384667446 /nfs/dbraw/zinc/66/74/46/384667446.db2.gz XJHUTIWJHFCAAI-MRVPVSSYSA-N 2 0 212.297 -0.601 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000258793682 631640736 /nfs/dbraw/zinc/64/07/36/631640736.db2.gz VEVWYZKGBXIMDH-RTBKNWGFSA-N 2 0 211.309 -0.066 10 0 BBAERP C[N@@H+]1CCC[C@@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000258793683 631639790 /nfs/dbraw/zinc/63/97/90/631639790.db2.gz VEVWYZKGBXIMDH-UDNWOFFPSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH3+])C[C@H]1C ZINC000261527448 135151846 /nfs/dbraw/zinc/15/18/46/135151846.db2.gz BHQFKVJVSDADHX-NXEZZACHSA-N 2 0 201.314 -0.668 10 0 BBAERP C[C@H](O)C[N@@H+]1CCN(CC[NH3+])C[C@@H]1C ZINC000261527449 135151602 /nfs/dbraw/zinc/15/16/02/135151602.db2.gz BHQFKVJVSDADHX-UWVGGRQHSA-N 2 0 201.314 -0.668 10 0 BBAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH3+])C[C@@H]1C ZINC000261527450 135151733 /nfs/dbraw/zinc/15/17/33/135151733.db2.gz BHQFKVJVSDADHX-VHSXEESVSA-N 2 0 201.314 -0.668 10 0 BBAERP C[C@H](O)C[N@@H+]1CCN(CC[NH3+])C[C@H]1C ZINC000261527451 135151907 /nfs/dbraw/zinc/15/19/07/135151907.db2.gz BHQFKVJVSDADHX-ZJUUUORDSA-N 2 0 201.314 -0.668 10 0 BBAERP O[C@@H]1C[NH+](C[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261527584 135152283 /nfs/dbraw/zinc/15/22/83/135152283.db2.gz DDRZHLKYEDBBAY-IVZWLZJFSA-N 2 0 200.282 -0.977 10 0 BBAERP O[C@@H]1C[NH+](C[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261527585 135152413 /nfs/dbraw/zinc/15/24/13/135152413.db2.gz DDRZHLKYEDBBAY-OPRDCNLKSA-N 2 0 200.282 -0.977 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000261528729 135154590 /nfs/dbraw/zinc/15/45/90/135154590.db2.gz VAAZMHWZMBAJLM-IVZWLZJFSA-N 2 0 216.350 -0.091 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000261528730 135154104 /nfs/dbraw/zinc/15/41/04/135154104.db2.gz VAAZMHWZMBAJLM-KXUCPTDWSA-N 2 0 216.350 -0.091 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000261528731 135154351 /nfs/dbraw/zinc/15/43/51/135154351.db2.gz VAAZMHWZMBAJLM-LPEHRKFASA-N 2 0 216.350 -0.091 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000261528732 135154246 /nfs/dbraw/zinc/15/42/46/135154246.db2.gz VAAZMHWZMBAJLM-OPRDCNLKSA-N 2 0 216.350 -0.091 10 0 BBAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000261529260 536374352 /nfs/dbraw/zinc/37/43/52/536374352.db2.gz AMKZHSZEABHFOS-VHSXEESVSA-N 2 0 211.309 -0.194 10 0 BBAERP [NH3+]CCOCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000261530826 135158930 /nfs/dbraw/zinc/15/89/30/135158930.db2.gz DGBRUQWSGDUEHR-JTQLQIEISA-N 2 0 202.298 -0.334 10 0 BBAERP [NH3+]CCOCC[N@@H+]1CC[C@H](CCO)C1 ZINC000261530827 135159344 /nfs/dbraw/zinc/15/93/44/135159344.db2.gz DGBRUQWSGDUEHR-SNVBAGLBSA-N 2 0 202.298 -0.334 10 0 BBAERP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1C[NH2+]C1 ZINC000261532321 135162298 /nfs/dbraw/zinc/16/22/98/135162298.db2.gz AEQQKKXAMNUJFL-BDAKNGLRSA-N 2 0 211.309 -0.066 10 0 BBAERP CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1C[NH2+]C1 ZINC000261532322 135162450 /nfs/dbraw/zinc/16/24/50/135162450.db2.gz AEQQKKXAMNUJFL-DTWKUNHWSA-N 2 0 211.309 -0.066 10 0 BBAERP CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1C[NH2+]C1 ZINC000261532323 135162199 /nfs/dbraw/zinc/16/21/99/135162199.db2.gz AEQQKKXAMNUJFL-IUCAKERBSA-N 2 0 211.309 -0.066 10 0 BBAERP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1C[NH2+]C1 ZINC000261532324 135162178 /nfs/dbraw/zinc/16/21/78/135162178.db2.gz AEQQKKXAMNUJFL-RKDXNWHRSA-N 2 0 211.309 -0.066 10 0 BBAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCN1 ZINC000261534977 135168866 /nfs/dbraw/zinc/16/88/66/135168866.db2.gz VACLBIHHXFZLPJ-VHSXEESVSA-N 2 0 227.308 -0.815 10 0 BBAERP CC[C@@H]1CN(CC[NH3+])CC[N@@H+]1CCOC ZINC000261535931 135170340 /nfs/dbraw/zinc/17/03/40/135170340.db2.gz PSQMHWRCNFXSHL-LLVKDONJSA-N 2 0 215.341 -0.012 10 0 BBAERP CC[C@H]1CN(CC[NH3+])CC[N@@H+]1CCOC ZINC000261535932 135170608 /nfs/dbraw/zinc/17/06/08/135170608.db2.gz PSQMHWRCNFXSHL-NSHDSACASA-N 2 0 215.341 -0.012 10 0 BBAERP NC(=O)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261538074 135175408 /nfs/dbraw/zinc/17/54/08/135175408.db2.gz XJKGYSUHSRCISD-UWVGGRQHSA-N 2 0 211.309 -0.207 10 0 BBAERP NC(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261538075 135175491 /nfs/dbraw/zinc/17/54/91/135175491.db2.gz XJKGYSUHSRCISD-VHSXEESVSA-N 2 0 211.309 -0.207 10 0 BBAERP C[C@@H](NC(=O)C1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000261539275 135178012 /nfs/dbraw/zinc/17/80/12/135178012.db2.gz CAERTIOQNBOXKP-BDAKNGLRSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H](NC(=O)C1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000261539276 135177673 /nfs/dbraw/zinc/17/76/73/135177673.db2.gz CAERTIOQNBOXKP-DTWKUNHWSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H](NC(=O)C1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000261539277 135178112 /nfs/dbraw/zinc/17/81/12/135178112.db2.gz CAERTIOQNBOXKP-IUCAKERBSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H](NC(=O)C1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000261539278 135178120 /nfs/dbraw/zinc/17/81/20/135178120.db2.gz CAERTIOQNBOXKP-RKDXNWHRSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1CN(C(=O)C2C[NH2+]C2)[C@@H](C)C[N@@H+]1C ZINC000261540810 135179785 /nfs/dbraw/zinc/17/97/85/135179785.db2.gz FHBUPDIKAKLXEZ-BDAKNGLRSA-N 2 0 211.309 -0.243 10 0 BBAERP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1C[NH2+]C1 ZINC000261540811 135180120 /nfs/dbraw/zinc/18/01/20/135180120.db2.gz FHBUPDIKAKLXEZ-DTWKUNHWSA-N 2 0 211.309 -0.243 10 0 BBAERP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1C[NH2+]C1 ZINC000261540812 135179774 /nfs/dbraw/zinc/17/97/74/135179774.db2.gz FHBUPDIKAKLXEZ-IUCAKERBSA-N 2 0 211.309 -0.243 10 0 BBAERP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1C[NH2+]C1 ZINC000261540813 135180100 /nfs/dbraw/zinc/18/01/00/135180100.db2.gz FHBUPDIKAKLXEZ-RKDXNWHRSA-N 2 0 211.309 -0.243 10 0 BBAERP CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1C[NH2+]C1 ZINC000261542313 536003662 /nfs/dbraw/zinc/00/36/62/536003662.db2.gz GPORLXNIQMWNTP-MRVPVSSYSA-N 2 0 229.349 -0.488 10 0 BBAERP CN(C(=O)C[C@H]1CSCC[NH2+]1)C1C[NH2+]C1 ZINC000261542314 536006091 /nfs/dbraw/zinc/00/60/91/536006091.db2.gz GPORLXNIQMWNTP-QMMMGPOBSA-N 2 0 229.349 -0.488 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000261544556 135186146 /nfs/dbraw/zinc/18/61/46/135186146.db2.gz JAXXQGJEWKZFDH-GARJFASQSA-N 2 0 214.309 -0.417 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000261544557 135186038 /nfs/dbraw/zinc/18/60/38/135186038.db2.gz JAXXQGJEWKZFDH-GMTAPVOTSA-N 2 0 214.309 -0.417 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000261544558 135186347 /nfs/dbraw/zinc/18/63/47/135186347.db2.gz JAXXQGJEWKZFDH-HBNTYKKESA-N 2 0 214.309 -0.417 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000261544559 135185986 /nfs/dbraw/zinc/18/59/86/135185986.db2.gz JAXXQGJEWKZFDH-OUAUKWLOSA-N 2 0 214.309 -0.417 10 0 BBAERP CC1(CNC(=O)C2C[NH2+]C2)CC[NH2+]CC1 ZINC000261546093 535131965 /nfs/dbraw/zinc/13/19/65/535131965.db2.gz KTKFEWJQQBGJFS-UHFFFAOYSA-N 2 0 211.309 -0.288 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000261546816 135239672 /nfs/dbraw/zinc/23/96/72/135239672.db2.gz LHGAQWPBWWNEEY-GARJFASQSA-N 2 0 214.309 -0.417 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000261546817 135239494 /nfs/dbraw/zinc/23/94/94/135239494.db2.gz LHGAQWPBWWNEEY-GMTAPVOTSA-N 2 0 214.309 -0.417 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000261546818 135239531 /nfs/dbraw/zinc/23/95/31/135239531.db2.gz LHGAQWPBWWNEEY-HBNTYKKESA-N 2 0 214.309 -0.417 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000261546819 135239406 /nfs/dbraw/zinc/23/94/06/135239406.db2.gz LHGAQWPBWWNEEY-OUAUKWLOSA-N 2 0 214.309 -0.417 10 0 BBAERP C[C@@]1(CNC(=O)C2C[NH2+]C2)CCC[NH2+]C1 ZINC000261548341 135186554 /nfs/dbraw/zinc/18/65/54/135186554.db2.gz NNBGVUNLNUCJFX-LLVKDONJSA-N 2 0 211.309 -0.288 10 0 BBAERP C[C@]1(CNC(=O)C2C[NH2+]C2)CCC[NH2+]C1 ZINC000261548342 135186783 /nfs/dbraw/zinc/18/67/83/135186783.db2.gz NNBGVUNLNUCJFX-NSHDSACASA-N 2 0 211.309 -0.288 10 0 BBAERP C[C@@H]([NH3+])C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000261548657 135187232 /nfs/dbraw/zinc/18/72/32/135187232.db2.gz NTOHZEMIYVOEQU-MRVPVSSYSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@H]([NH3+])C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000261548658 135187913 /nfs/dbraw/zinc/18/79/13/135187913.db2.gz NTOHZEMIYVOEQU-QMMMGPOBSA-N 2 0 211.309 -0.208 10 0 BBAERP O=C(NCC[C@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000261549484 135188126 /nfs/dbraw/zinc/18/81/26/135188126.db2.gz OQQNXLJQRAWIEC-SECBINFHSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NCC[C@@H]1CCC[NH2+]C1)C1C[NH2+]C1 ZINC000261549485 135188773 /nfs/dbraw/zinc/18/87/73/135188773.db2.gz OQQNXLJQRAWIEC-VIFPVBQESA-N 2 0 211.309 -0.288 10 0 BBAERP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1C[NH2+]C1 ZINC000261551718 136272533 /nfs/dbraw/zinc/27/25/33/136272533.db2.gz QWHOYMRHRUPFAU-NXEZZACHSA-N 2 0 211.309 -0.195 10 0 BBAERP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1C[NH2+]C1 ZINC000261551719 136272520 /nfs/dbraw/zinc/27/25/20/136272520.db2.gz QWHOYMRHRUPFAU-UWVGGRQHSA-N 2 0 211.309 -0.195 10 0 BBAERP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1C[NH2+]C1 ZINC000261551720 136272534 /nfs/dbraw/zinc/27/25/34/136272534.db2.gz QWHOYMRHRUPFAU-VHSXEESVSA-N 2 0 211.309 -0.195 10 0 BBAERP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1C[NH2+]C1 ZINC000261551721 136272522 /nfs/dbraw/zinc/27/25/22/136272522.db2.gz QWHOYMRHRUPFAU-ZJUUUORDSA-N 2 0 211.309 -0.195 10 0 BBAERP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[NH2+]C1 ZINC000261552310 135191512 /nfs/dbraw/zinc/19/15/12/135191512.db2.gz RBGQLPYCTMFZIO-ULKQDVFKSA-N 2 0 209.293 -0.395 10 0 BBAERP COCC(C)(C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000261554142 135193705 /nfs/dbraw/zinc/19/37/05/135193705.db2.gz TZHFTHNCBXFWMB-NXEZZACHSA-N 2 0 216.325 -0.171 10 0 BBAERP COCC(C)(C)C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000261554144 135193634 /nfs/dbraw/zinc/19/36/34/135193634.db2.gz TZHFTHNCBXFWMB-UWVGGRQHSA-N 2 0 216.325 -0.171 10 0 BBAERP COCC(C)(C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000261554146 135193627 /nfs/dbraw/zinc/19/36/27/135193627.db2.gz TZHFTHNCBXFWMB-VHSXEESVSA-N 2 0 216.325 -0.171 10 0 BBAERP COCC(C)(C)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000261554148 135193737 /nfs/dbraw/zinc/19/37/37/135193737.db2.gz TZHFTHNCBXFWMB-ZJUUUORDSA-N 2 0 216.325 -0.171 10 0 BBAERP CS[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H]1[NH+](C)C ZINC000261554759 135194718 /nfs/dbraw/zinc/19/47/18/135194718.db2.gz UMRMRSWUQKVLAZ-DJLDLDEBSA-N 2 0 231.365 -0.162 10 0 BBAERP CS[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H]1[NH+](C)C ZINC000261554760 135194660 /nfs/dbraw/zinc/19/46/60/135194660.db2.gz UMRMRSWUQKVLAZ-HRDYMLBCSA-N 2 0 231.365 -0.162 10 0 BBAERP CS[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1[NH+](C)C ZINC000261554761 135108972 /nfs/dbraw/zinc/10/89/72/135108972.db2.gz UMRMRSWUQKVLAZ-IWSPIJDZSA-N 2 0 231.365 -0.162 10 0 BBAERP CS[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@@H]1[NH+](C)C ZINC000261554762 135108792 /nfs/dbraw/zinc/10/87/92/135108792.db2.gz UMRMRSWUQKVLAZ-XHNCKOQMSA-N 2 0 231.365 -0.162 10 0 BBAERP C[N@H+](C[C@@H]1CCC[NH2+]C1)CC(C)(CO)CO ZINC000261555730 135194914 /nfs/dbraw/zinc/19/49/14/135194914.db2.gz VERNTHUPEWYKID-LLVKDONJSA-N 2 0 230.352 -0.091 10 0 BBAERP C[N@H+](C[C@H]1CCC[NH2+]C1)CC(C)(CO)CO ZINC000261555731 135195602 /nfs/dbraw/zinc/19/56/02/135195602.db2.gz VERNTHUPEWYKID-NSHDSACASA-N 2 0 230.352 -0.091 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCN3CCOCC3)C[C@H]12 ZINC000261556108 135195836 /nfs/dbraw/zinc/19/58/36/135195836.db2.gz QHLAHKQSICNWCK-FRRDWIJNSA-N 2 0 239.363 -0.012 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCN3CCOCC3)C[C@@H]12 ZINC000261556109 135195986 /nfs/dbraw/zinc/19/59/86/135195986.db2.gz QHLAHKQSICNWCK-JHJVBQTASA-N 2 0 239.363 -0.012 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCN3CCOCC3)C[C@H]12 ZINC000261556110 135196067 /nfs/dbraw/zinc/19/60/67/135196067.db2.gz QHLAHKQSICNWCK-RWMBFGLXSA-N 2 0 239.363 -0.012 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCN3CCOCC3)C[C@@H]12 ZINC000261556111 135196393 /nfs/dbraw/zinc/19/63/93/135196393.db2.gz QHLAHKQSICNWCK-YNEHKIRRSA-N 2 0 239.363 -0.012 10 0 BBAERP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000261557097 135198000 /nfs/dbraw/zinc/19/80/00/135198000.db2.gz WZMFTCIPPMTOJE-NXEZZACHSA-N 2 0 213.325 -0.044 10 0 BBAERP C[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000261557098 135197718 /nfs/dbraw/zinc/19/77/18/135197718.db2.gz WZMFTCIPPMTOJE-UWVGGRQHSA-N 2 0 213.325 -0.044 10 0 BBAERP C[NH2+]CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000261557099 135197652 /nfs/dbraw/zinc/19/76/52/135197652.db2.gz WZMFTCIPPMTOJE-VHSXEESVSA-N 2 0 213.325 -0.044 10 0 BBAERP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000261557100 135198012 /nfs/dbraw/zinc/19/80/12/135198012.db2.gz WZMFTCIPPMTOJE-ZJUUUORDSA-N 2 0 213.325 -0.044 10 0 BBAERP C[NH2+]C[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000261559776 135200673 /nfs/dbraw/zinc/20/06/73/135200673.db2.gz ZJAJYQWOOUUWIE-SECBINFHSA-N 2 0 211.309 -0.336 10 0 BBAERP C[NH2+]C[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000261559779 135200465 /nfs/dbraw/zinc/20/04/65/135200465.db2.gz ZJAJYQWOOUUWIE-VIFPVBQESA-N 2 0 211.309 -0.336 10 0 BBAERP C[NH2+]CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000261560040 135200357 /nfs/dbraw/zinc/20/03/57/135200357.db2.gz ZKCAGLZPPDOXFU-BDAKNGLRSA-N 2 0 231.365 -0.290 10 0 BBAERP C[NH2+]CC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000261560041 135200313 /nfs/dbraw/zinc/20/03/13/135200313.db2.gz ZKCAGLZPPDOXFU-DTWKUNHWSA-N 2 0 231.365 -0.290 10 0 BBAERP C[NH2+]CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000261560042 135200120 /nfs/dbraw/zinc/20/01/20/135200120.db2.gz ZKCAGLZPPDOXFU-IUCAKERBSA-N 2 0 231.365 -0.290 10 0 BBAERP C[NH2+]CC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000261560043 135200661 /nfs/dbraw/zinc/20/06/61/135200661.db2.gz ZKCAGLZPPDOXFU-RKDXNWHRSA-N 2 0 231.365 -0.290 10 0 BBAERP CN(C(=O)CC[C@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000261560411 135200908 /nfs/dbraw/zinc/20/09/08/135200908.db2.gz ZWYCRVKIGWDICV-SECBINFHSA-N 2 0 211.309 -0.051 10 0 BBAERP CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1C[NH2+]C1 ZINC000261560412 135201425 /nfs/dbraw/zinc/20/14/25/135201425.db2.gz ZWYCRVKIGWDICV-VIFPVBQESA-N 2 0 211.309 -0.051 10 0 BBAERP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560843 135201598 /nfs/dbraw/zinc/20/15/98/135201598.db2.gz UYSLWXBMPSGRSZ-CIUDSAMLSA-N 2 0 240.307 -0.760 10 0 BBAERP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560844 135201929 /nfs/dbraw/zinc/20/19/29/135201929.db2.gz UYSLWXBMPSGRSZ-DJLDLDEBSA-N 2 0 240.307 -0.760 10 0 BBAERP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560845 135202036 /nfs/dbraw/zinc/20/20/36/135202036.db2.gz UYSLWXBMPSGRSZ-XHNCKOQMSA-N 2 0 240.307 -0.760 10 0 BBAERP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000261560934 135202252 /nfs/dbraw/zinc/20/22/52/135202252.db2.gz AJHPZUIJQBXEEY-PSASIEDQSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000261560935 135201629 /nfs/dbraw/zinc/20/16/29/135201629.db2.gz AJHPZUIJQBXEEY-SCZZXKLOSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1C[NH2+]C1 ZINC000261560936 135201593 /nfs/dbraw/zinc/20/15/93/135201593.db2.gz AJHPZUIJQBXEEY-WCBMZHEXSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000261560937 135201806 /nfs/dbraw/zinc/20/18/06/135201806.db2.gz AJHPZUIJQBXEEY-WPRPVWTQSA-N 2 0 211.309 -0.161 10 0 BBAERP NC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261561046 135201617 /nfs/dbraw/zinc/20/16/17/135201617.db2.gz UYSLWXBMPSGRSZ-YIZRAAEISA-N 2 0 240.307 -0.760 10 0 BBAERP C[C@H](C(=O)NC(N)=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562652 135204535 /nfs/dbraw/zinc/20/45/35/135204535.db2.gz WLZRAHQMCDKYEM-HTQZYQBOSA-N 2 0 242.323 -0.371 10 0 BBAERP C[C@@H](C(=O)NC(N)=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562655 135204408 /nfs/dbraw/zinc/20/44/08/135204408.db2.gz WLZRAHQMCDKYEM-JGVFFNPUSA-N 2 0 242.323 -0.371 10 0 BBAERP C[C@H](C(=O)NC(N)=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562658 135204439 /nfs/dbraw/zinc/20/44/39/135204439.db2.gz WLZRAHQMCDKYEM-SFYZADRCSA-N 2 0 242.323 -0.371 10 0 BBAERP C[C@@H](C(=O)NC(N)=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562661 135204758 /nfs/dbraw/zinc/20/47/58/135204758.db2.gz WLZRAHQMCDKYEM-YUMQZZPRSA-N 2 0 242.323 -0.371 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000261564447 135206040 /nfs/dbraw/zinc/20/60/40/135206040.db2.gz COJVNBWTKTXYRB-BBBLOLIVSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000261564448 135205888 /nfs/dbraw/zinc/20/58/88/135205888.db2.gz COJVNBWTKTXYRB-IVZWLZJFSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000261564449 135205821 /nfs/dbraw/zinc/20/58/21/135205821.db2.gz COJVNBWTKTXYRB-KXUCPTDWSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000261564450 135206402 /nfs/dbraw/zinc/20/64/02/135206402.db2.gz COJVNBWTKTXYRB-OPRDCNLKSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000261564451 135206243 /nfs/dbraw/zinc/20/62/43/135206243.db2.gz COJVNBWTKTXYRB-UTLUCORTSA-N 2 0 211.309 -0.066 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]12 ZINC000261568444 135209957 /nfs/dbraw/zinc/20/99/57/135209957.db2.gz FPSXDAZTSLTZKK-GARJFASQSA-N 2 0 221.308 -0.053 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]12 ZINC000261568445 135210139 /nfs/dbraw/zinc/21/01/39/135210139.db2.gz FPSXDAZTSLTZKK-GMTAPVOTSA-N 2 0 221.308 -0.053 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCn3cncn3)C[C@@H]12 ZINC000261568446 135210736 /nfs/dbraw/zinc/21/07/36/135210736.db2.gz FPSXDAZTSLTZKK-HBNTYKKESA-N 2 0 221.308 -0.053 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]12 ZINC000261568447 135210805 /nfs/dbraw/zinc/21/08/05/135210805.db2.gz FPSXDAZTSLTZKK-OUAUKWLOSA-N 2 0 221.308 -0.053 10 0 BBAERP [NH3+]C1(CNC(=O)C2C[NH2+]C2)CCCCC1 ZINC000261570116 135212507 /nfs/dbraw/zinc/21/25/07/135212507.db2.gz GQYIJZOWTOJHGM-UHFFFAOYSA-N 2 0 211.309 -0.016 10 0 BBAERP CC1(C)CN(C(=O)C2C[NH2+]C2)CC[C@H]1[NH3+] ZINC000261570422 135212345 /nfs/dbraw/zinc/21/23/45/135212345.db2.gz GXWCGICHWVMVBO-SECBINFHSA-N 2 0 211.309 -0.208 10 0 BBAERP CC1(C)CN(C(=O)C2C[NH2+]C2)CC[C@@H]1[NH3+] ZINC000261570423 135212064 /nfs/dbraw/zinc/21/20/64/135212064.db2.gz GXWCGICHWVMVBO-VIFPVBQESA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000261572378 135214114 /nfs/dbraw/zinc/21/41/14/135214114.db2.gz IBLOEFBCAQTWRR-FXPVBKGRSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000261572379 135213718 /nfs/dbraw/zinc/21/37/18/135213718.db2.gz IBLOEFBCAQTWRR-KKZNHRDASA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000261572380 135214059 /nfs/dbraw/zinc/21/40/59/135214059.db2.gz IBLOEFBCAQTWRR-WCABBAIRSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000261572381 135213773 /nfs/dbraw/zinc/21/37/73/135213773.db2.gz IBLOEFBCAQTWRR-YWVKMMECSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1CCCN(C(=O)C2C[NH2+]C2)[C@@H]1C[NH3+] ZINC000261572854 135214478 /nfs/dbraw/zinc/21/44/78/135214478.db2.gz IKPQVLXZKBICIP-PSASIEDQSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@@H]1CCCN(C(=O)C2C[NH2+]C2)[C@H]1C[NH3+] ZINC000261572855 135214640 /nfs/dbraw/zinc/21/46/40/135214640.db2.gz IKPQVLXZKBICIP-SCZZXKLOSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@H]1CCCN(C(=O)C2C[NH2+]C2)[C@@H]1C[NH3+] ZINC000261572856 135215339 /nfs/dbraw/zinc/21/53/39/135215339.db2.gz IKPQVLXZKBICIP-WCBMZHEXSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@H]1CCCN(C(=O)C2C[NH2+]C2)[C@H]1C[NH3+] ZINC000261572857 135215348 /nfs/dbraw/zinc/21/53/48/135215348.db2.gz IKPQVLXZKBICIP-WPRPVWTQSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@@H](O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000261580295 135221862 /nfs/dbraw/zinc/22/18/62/135221862.db2.gz MXBLYFXVZAJLCG-SNVBAGLBSA-N 2 0 215.341 -0.278 10 0 BBAERP [NH3+]C[C@H](NC(=O)C1C[NH2+]C1)C1CCCC1 ZINC000261581229 135221678 /nfs/dbraw/zinc/22/16/78/135221678.db2.gz NKBMIFBPFRXCRI-JTQLQIEISA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H](NC(=O)C1C[NH2+]C1)C1CCCC1 ZINC000261581230 135221667 /nfs/dbraw/zinc/22/16/67/135221667.db2.gz NKBMIFBPFRXCRI-SNVBAGLBSA-N 2 0 211.309 -0.161 10 0 BBAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN)CC1 ZINC000261581369 135222774 /nfs/dbraw/zinc/22/27/74/135222774.db2.gz NNDJQDFPBXCPOT-LLVKDONJSA-N 2 0 229.368 -0.030 10 0 BBAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN)CC1 ZINC000261581370 135221976 /nfs/dbraw/zinc/22/19/76/135221976.db2.gz NNDJQDFPBXCPOT-NSHDSACASA-N 2 0 229.368 -0.030 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[NH2+]CC1CC1 ZINC000261588860 135229081 /nfs/dbraw/zinc/22/90/81/135229081.db2.gz SRPVHLRTQBROFD-PSASIEDQSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[NH2+]CC1CC1 ZINC000261588861 135229416 /nfs/dbraw/zinc/22/94/16/135229416.db2.gz SRPVHLRTQBROFD-SCZZXKLOSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)C[NH2+]CC1CC1 ZINC000261588862 135229273 /nfs/dbraw/zinc/22/92/73/135229273.db2.gz SRPVHLRTQBROFD-WCBMZHEXSA-N 2 0 211.309 -0.066 10 0 BBAERP [NH3+]CC[C@@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000261589033 135229450 /nfs/dbraw/zinc/22/94/50/135229450.db2.gz SVBLHUNAQJREKO-JTQLQIEISA-N 2 0 211.309 -0.064 10 0 BBAERP [NH3+]CC[C@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000261589034 135230111 /nfs/dbraw/zinc/23/01/11/135230111.db2.gz SVBLHUNAQJREKO-SNVBAGLBSA-N 2 0 211.309 -0.064 10 0 BBAERP C[NH+](C)C[C@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000261593980 135234427 /nfs/dbraw/zinc/23/44/27/135234427.db2.gz XEYBENNWDSCKPT-JTQLQIEISA-N 2 0 215.341 -0.014 10 0 BBAERP C[NH+](C)C[C@@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000261593981 135234629 /nfs/dbraw/zinc/23/46/29/135234629.db2.gz XEYBENNWDSCKPT-SNVBAGLBSA-N 2 0 215.341 -0.014 10 0 BBAERP O=C(C1C[NH2+]C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261638947 135242438 /nfs/dbraw/zinc/24/24/38/135242438.db2.gz AOMCIVNBQHRWLU-UHFFFAOYSA-N 2 0 223.320 -0.192 10 0 BBAERP CCC[NH2+]CCNC(=O)C1([NH3+])CCOCC1 ZINC000261656312 135243614 /nfs/dbraw/zinc/24/36/14/135243614.db2.gz NHNJEFFEGCWTHC-UHFFFAOYSA-N 2 0 229.324 -0.390 10 0 BBAERP CC1(C)CN(CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261724453 135248075 /nfs/dbraw/zinc/24/80/75/135248075.db2.gz NSONVGOLVMIHCS-SECBINFHSA-N 2 0 249.380 -0.405 10 0 BBAERP CC1(C)CN(CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261724455 135248539 /nfs/dbraw/zinc/24/85/39/135248539.db2.gz NSONVGOLVMIHCS-VIFPVBQESA-N 2 0 249.380 -0.405 10 0 BBAERP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1C[NH2+]C1 ZINC000261732639 135248569 /nfs/dbraw/zinc/24/85/69/135248569.db2.gz HUTBACONYVNOQW-PSASIEDQSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@@H]([NH3+])CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000261734096 135248924 /nfs/dbraw/zinc/24/89/24/135248924.db2.gz GBDQBGCYHRGAKI-NXEZZACHSA-N 2 0 229.324 -0.487 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000261734100 135249313 /nfs/dbraw/zinc/24/93/13/135249313.db2.gz GBDQBGCYHRGAKI-UWVGGRQHSA-N 2 0 229.324 -0.487 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000261734103 135249067 /nfs/dbraw/zinc/24/90/67/135249067.db2.gz GBDQBGCYHRGAKI-VHSXEESVSA-N 2 0 229.324 -0.487 10 0 BBAERP C[C@@H]([NH3+])CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000261734104 135248981 /nfs/dbraw/zinc/24/89/81/135248981.db2.gz GBDQBGCYHRGAKI-ZJUUUORDSA-N 2 0 229.324 -0.487 10 0 BBAERP CC[NH+]1CCN(CC(=O)NC[C@@H](C)[NH2+]C)CC1 ZINC000261741586 535658486 /nfs/dbraw/zinc/65/84/86/535658486.db2.gz MOLAREVBNZDOES-LLVKDONJSA-N 2 0 242.367 -0.652 10 0 BBAERP CC[NH+]1CCN(CC(=O)NC[C@H](C)[NH2+]C)CC1 ZINC000261741588 535659017 /nfs/dbraw/zinc/65/90/17/535659017.db2.gz MOLAREVBNZDOES-NSHDSACASA-N 2 0 242.367 -0.652 10 0 BBAERP CN(CC(C)(C)C[NH3+])C(=O)C1([NH3+])CCOCC1 ZINC000261743391 135248983 /nfs/dbraw/zinc/24/89/83/135248983.db2.gz DSJDMPQZUOKUTP-UHFFFAOYSA-N 2 0 243.351 -0.062 10 0 BBAERP C[C@@H]1CCN(C(=O)C2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000261748226 135250114 /nfs/dbraw/zinc/25/01/14/135250114.db2.gz IVTHIVRJHSNRRL-PSASIEDQSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@@H]1CCN(C(=O)C2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000261748229 135249971 /nfs/dbraw/zinc/24/99/71/135249971.db2.gz IVTHIVRJHSNRRL-SCZZXKLOSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@H]1CCN(C(=O)C2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000261748233 135249854 /nfs/dbraw/zinc/24/98/54/135249854.db2.gz IVTHIVRJHSNRRL-WCBMZHEXSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@H]1CCN(C(=O)C2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000261748236 135249811 /nfs/dbraw/zinc/24/98/11/135249811.db2.gz IVTHIVRJHSNRRL-WPRPVWTQSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000261763663 135250753 /nfs/dbraw/zinc/25/07/53/135250753.db2.gz JXFCLEJPQZHZIB-IVZWLZJFSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@H](C[NH3+])C1 ZINC000261763669 135251085 /nfs/dbraw/zinc/25/10/85/135251085.db2.gz JXFCLEJPQZHZIB-LPEHRKFASA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000261763670 135250255 /nfs/dbraw/zinc/25/02/55/135250255.db2.gz JXFCLEJPQZHZIB-OPRDCNLKSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1CCN(C(=O)COC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000261771113 135251726 /nfs/dbraw/zinc/25/17/26/135251726.db2.gz KKXMDLFUGQDALZ-NXEZZACHSA-N 2 0 241.335 -0.439 10 0 BBAERP C[C@H]1CCN(C(=O)COC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000261771117 135251802 /nfs/dbraw/zinc/25/18/02/135251802.db2.gz KKXMDLFUGQDALZ-UWVGGRQHSA-N 2 0 241.335 -0.439 10 0 BBAERP C[C@H]1CCN(C(=O)COC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000261771122 135251749 /nfs/dbraw/zinc/25/17/49/135251749.db2.gz KKXMDLFUGQDALZ-VHSXEESVSA-N 2 0 241.335 -0.439 10 0 BBAERP C[C@@H]1CCN(C(=O)COC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000261771128 135251767 /nfs/dbraw/zinc/25/17/67/135251767.db2.gz KKXMDLFUGQDALZ-ZJUUUORDSA-N 2 0 241.335 -0.439 10 0 BBAERP COCC[NH2+]CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261791418 135253398 /nfs/dbraw/zinc/25/33/98/135253398.db2.gz LYVUKAIKZGQNSH-GHMZBOCLSA-N 2 0 243.351 -0.192 10 0 BBAERP COCC[NH2+]CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261791423 135253599 /nfs/dbraw/zinc/25/35/99/135253599.db2.gz LYVUKAIKZGQNSH-QWRGUYRKSA-N 2 0 243.351 -0.192 10 0 BBAERP COCC[NH2+]CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261791424 135253414 /nfs/dbraw/zinc/25/34/14/135253414.db2.gz LYVUKAIKZGQNSH-WDEREUQCSA-N 2 0 243.351 -0.192 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000261802798 135254778 /nfs/dbraw/zinc/25/47/78/135254778.db2.gz LDSPAIVQLPEGJG-AXFHLTTASA-N 2 0 243.351 -0.363 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000261802800 135254152 /nfs/dbraw/zinc/25/41/52/135254152.db2.gz LDSPAIVQLPEGJG-DCAQKATOSA-N 2 0 243.351 -0.363 10 0 BBAERP C[C@@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000261802801 135254489 /nfs/dbraw/zinc/25/44/89/135254489.db2.gz LDSPAIVQLPEGJG-GARJFASQSA-N 2 0 243.351 -0.363 10 0 BBAERP C[C@@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000261802803 135254358 /nfs/dbraw/zinc/25/43/58/135254358.db2.gz LDSPAIVQLPEGJG-HBNTYKKESA-N 2 0 243.351 -0.363 10 0 BBAERP C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@H](C)[NH2+]1 ZINC000261814985 135255150 /nfs/dbraw/zinc/25/51/50/135255150.db2.gz JXGQQGMFOYBHAK-AOOOYVTPSA-N 2 0 241.335 -0.297 10 0 BBAERP C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@@H](C)[NH2+]1 ZINC000261814987 135255508 /nfs/dbraw/zinc/25/55/08/135255508.db2.gz JXGQQGMFOYBHAK-NXEZZACHSA-N 2 0 241.335 -0.297 10 0 BBAERP C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@H](C)[NH2+]1 ZINC000261814988 135255288 /nfs/dbraw/zinc/25/52/88/135255288.db2.gz JXGQQGMFOYBHAK-UWVGGRQHSA-N 2 0 241.335 -0.297 10 0 BBAERP C[C@@H](O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261819457 135255043 /nfs/dbraw/zinc/25/50/43/135255043.db2.gz IHIIAMZHJOWRLU-GFCCVEGCSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000261884194 135259760 /nfs/dbraw/zinc/25/97/60/135259760.db2.gz ULEZAJOPSDKXGS-GARJFASQSA-N 2 0 241.335 -0.439 10 0 BBAERP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000261884195 135259671 /nfs/dbraw/zinc/25/96/71/135259671.db2.gz ULEZAJOPSDKXGS-GMTAPVOTSA-N 2 0 241.335 -0.439 10 0 BBAERP C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000261884197 135260190 /nfs/dbraw/zinc/26/01/90/135260190.db2.gz ULEZAJOPSDKXGS-HBNTYKKESA-N 2 0 241.335 -0.439 10 0 BBAERP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000261884199 135260064 /nfs/dbraw/zinc/26/00/64/135260064.db2.gz ULEZAJOPSDKXGS-MXWKQRLJSA-N 2 0 241.335 -0.439 10 0 BBAERP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1C[NH2+]C1 ZINC000261890884 135112354 /nfs/dbraw/zinc/11/23/54/135112354.db2.gz VFFQPMGIBFVCIF-WCBMZHEXSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H](O)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261912054 135262222 /nfs/dbraw/zinc/26/22/22/135262222.db2.gz YLMWLEQCATXLLR-CHWSQXEVSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@@H](O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261912057 135262796 /nfs/dbraw/zinc/26/27/96/135262796.db2.gz YLMWLEQCATXLLR-OLZOCXBDSA-N 2 0 241.379 -0.016 10 0 BBAERP CC(C)[C@H](C(=O)NCC1C[NH2+]C1)[NH+](C)C ZINC000261912396 135262666 /nfs/dbraw/zinc/26/26/66/135262666.db2.gz HCKBJVMUQNPAGE-SNVBAGLBSA-N 2 0 213.325 -0.092 10 0 BBAERP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCO ZINC000261942988 135264967 /nfs/dbraw/zinc/26/49/67/135264967.db2.gz MZRVXFPOKSEGCT-CHWSQXEVSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCO ZINC000261942990 135265267 /nfs/dbraw/zinc/26/52/67/135265267.db2.gz MZRVXFPOKSEGCT-OLZOCXBDSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCO ZINC000261942991 135264956 /nfs/dbraw/zinc/26/49/56/135264956.db2.gz MZRVXFPOKSEGCT-QWHCGFSZSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCO ZINC000261942993 135265228 /nfs/dbraw/zinc/26/52/28/135265228.db2.gz MZRVXFPOKSEGCT-STQMWFEESA-N 2 0 241.379 -0.016 10 0 BBAERP CNC(=O)N[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261948624 135265274 /nfs/dbraw/zinc/26/52/74/135265274.db2.gz NPRLUVQGXWOLNK-LLVKDONJSA-N 2 0 240.351 -0.011 10 0 BBAERP CNC(=O)N[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261948626 135265383 /nfs/dbraw/zinc/26/53/83/135265383.db2.gz NPRLUVQGXWOLNK-NSHDSACASA-N 2 0 240.351 -0.011 10 0 BBAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH3+])CC1 ZINC000261984884 135269929 /nfs/dbraw/zinc/26/99/29/135269929.db2.gz JNJFQZCDLJEODM-JTQLQIEISA-N 2 0 243.351 -0.504 10 0 BBAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH3+])CC1 ZINC000261984886 135269823 /nfs/dbraw/zinc/26/98/23/135269823.db2.gz JNJFQZCDLJEODM-SNVBAGLBSA-N 2 0 243.351 -0.504 10 0 BBAERP C[C@@H](O)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262007662 135272449 /nfs/dbraw/zinc/27/24/49/135272449.db2.gz USBHUZFTTQQKAG-CHWSQXEVSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@@H](O)C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262007664 135271991 /nfs/dbraw/zinc/27/19/91/135271991.db2.gz USBHUZFTTQQKAG-OLZOCXBDSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@H](O)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262007666 135272426 /nfs/dbraw/zinc/27/24/26/135272426.db2.gz USBHUZFTTQQKAG-QWHCGFSZSA-N 2 0 241.379 -0.016 10 0 BBAERP C[C@H](O)C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262007669 135272143 /nfs/dbraw/zinc/27/21/43/135272143.db2.gz USBHUZFTTQQKAG-STQMWFEESA-N 2 0 241.379 -0.016 10 0 BBAERP CN1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262026315 135273557 /nfs/dbraw/zinc/27/35/57/135273557.db2.gz PBVLVHUJJIFYIJ-LLVKDONJSA-N 2 0 241.335 -0.486 10 0 BBAERP CN1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262026317 135274245 /nfs/dbraw/zinc/27/42/45/135274245.db2.gz PBVLVHUJJIFYIJ-NSHDSACASA-N 2 0 241.335 -0.486 10 0 BBAERP C[C@H](C[NH3+])NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000262067574 135277189 /nfs/dbraw/zinc/27/71/89/135277189.db2.gz BJOMVKIHDGZVCM-FXPVBKGRSA-N 2 0 211.309 -0.161 10 0 BBAERP CC(C)[C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[NH+](C)C ZINC000262084474 135278078 /nfs/dbraw/zinc/27/80/78/135278078.db2.gz CQCWTPOXXTZUOX-AXFHLTTASA-N 2 0 243.351 -0.731 10 0 BBAERP CC(C)[C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)[NH+](C)C ZINC000262084476 135277957 /nfs/dbraw/zinc/27/79/57/135277957.db2.gz CQCWTPOXXTZUOX-DCAQKATOSA-N 2 0 243.351 -0.731 10 0 BBAERP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)[NH+](C)C ZINC000262084478 534899430 /nfs/dbraw/zinc/89/94/30/534899430.db2.gz CQCWTPOXXTZUOX-GARJFASQSA-N 2 0 243.351 -0.731 10 0 BBAERP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)[NH+](C)C ZINC000262084479 534901768 /nfs/dbraw/zinc/90/17/68/534901768.db2.gz CQCWTPOXXTZUOX-GMTAPVOTSA-N 2 0 243.351 -0.731 10 0 BBAERP CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[NH+](C)C ZINC000262084481 534900332 /nfs/dbraw/zinc/90/03/32/534900332.db2.gz CQCWTPOXXTZUOX-HBNTYKKESA-N 2 0 243.351 -0.731 10 0 BBAERP CC(C)[C@@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)[NH+](C)C ZINC000262084483 135278102 /nfs/dbraw/zinc/27/81/02/135278102.db2.gz CQCWTPOXXTZUOX-MXWKQRLJSA-N 2 0 243.351 -0.731 10 0 BBAERP CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[NH+](C)C ZINC000262084485 534902023 /nfs/dbraw/zinc/90/20/23/534902023.db2.gz CQCWTPOXXTZUOX-OUAUKWLOSA-N 2 0 243.351 -0.731 10 0 BBAERP CC(C)[C@@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[NH+](C)C ZINC000262084487 135277687 /nfs/dbraw/zinc/27/76/87/135277687.db2.gz CQCWTPOXXTZUOX-VWYCJHECSA-N 2 0 243.351 -0.731 10 0 BBAERP CC[NH+](CC)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262103732 135278960 /nfs/dbraw/zinc/27/89/60/135278960.db2.gz DWYGHZMYJKMEGM-NXEZZACHSA-N 2 0 229.324 -0.975 10 0 BBAERP CC[NH+](CC)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262103733 135278572 /nfs/dbraw/zinc/27/85/72/135278572.db2.gz DWYGHZMYJKMEGM-UWVGGRQHSA-N 2 0 229.324 -0.975 10 0 BBAERP CC[NH+](CC)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262103734 135278315 /nfs/dbraw/zinc/27/83/15/135278315.db2.gz DWYGHZMYJKMEGM-VHSXEESVSA-N 2 0 229.324 -0.975 10 0 BBAERP CC[NH+](CC)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262103735 135279115 /nfs/dbraw/zinc/27/91/15/135279115.db2.gz DWYGHZMYJKMEGM-ZJUUUORDSA-N 2 0 229.324 -0.975 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262162694 135283204 /nfs/dbraw/zinc/28/32/04/135283204.db2.gz ACMXBMFYFXAAOX-AXFHLTTASA-N 2 0 243.351 -0.099 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000262162715 135282895 /nfs/dbraw/zinc/28/28/95/135282895.db2.gz ACMXBMFYFXAAOX-DCAQKATOSA-N 2 0 243.351 -0.099 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262162742 135116119 /nfs/dbraw/zinc/11/61/19/135116119.db2.gz ACMXBMFYFXAAOX-MXWKQRLJSA-N 2 0 243.351 -0.099 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262162768 135282931 /nfs/dbraw/zinc/28/29/31/135282931.db2.gz ACMXBMFYFXAAOX-VWYCJHECSA-N 2 0 243.351 -0.099 10 0 BBAERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262163685 535755210 /nfs/dbraw/zinc/75/52/10/535755210.db2.gz ADYCYYDLUPGFDB-GHMZBOCLSA-N 2 0 243.351 -0.240 10 0 BBAERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262163688 135282964 /nfs/dbraw/zinc/28/29/64/135282964.db2.gz ADYCYYDLUPGFDB-MNOVXSKESA-N 2 0 243.351 -0.240 10 0 BBAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262163691 135283066 /nfs/dbraw/zinc/28/30/66/135283066.db2.gz ADYCYYDLUPGFDB-QWRGUYRKSA-N 2 0 243.351 -0.240 10 0 BBAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262163695 135283036 /nfs/dbraw/zinc/28/30/36/135283036.db2.gz ADYCYYDLUPGFDB-WDEREUQCSA-N 2 0 243.351 -0.240 10 0 BBAERP CC1(C)CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000262177251 135283687 /nfs/dbraw/zinc/28/36/87/135283687.db2.gz YXQUGEXXEUZQMS-NXEZZACHSA-N 2 0 241.335 -0.439 10 0 BBAERP CC1(C)CN(C(=O)[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000262177253 135283749 /nfs/dbraw/zinc/28/37/49/135283749.db2.gz YXQUGEXXEUZQMS-ZJUUUORDSA-N 2 0 241.335 -0.439 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1C[NH2+]C1 ZINC000262182698 135284947 /nfs/dbraw/zinc/28/49/47/135284947.db2.gz WWXAFLLKNZFMPO-PSASIEDQSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000262191200 135284951 /nfs/dbraw/zinc/28/49/51/135284951.db2.gz GAMBZENWIFCQGC-PSASIEDQSA-N 2 0 223.320 -0.053 10 0 BBAERP C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000262191202 135284542 /nfs/dbraw/zinc/28/45/42/135284542.db2.gz GAMBZENWIFCQGC-SCZZXKLOSA-N 2 0 223.320 -0.053 10 0 BBAERP C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000262191206 135284794 /nfs/dbraw/zinc/28/47/94/135284794.db2.gz GAMBZENWIFCQGC-WCBMZHEXSA-N 2 0 223.320 -0.053 10 0 BBAERP C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000262191208 135284394 /nfs/dbraw/zinc/28/43/94/135284394.db2.gz GAMBZENWIFCQGC-WPRPVWTQSA-N 2 0 223.320 -0.053 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262218437 536668412 /nfs/dbraw/zinc/66/84/12/536668412.db2.gz OWIMCZLEIRKIQM-GHMZBOCLSA-N 2 0 243.351 -0.016 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262218440 536667131 /nfs/dbraw/zinc/66/71/31/536667131.db2.gz OWIMCZLEIRKIQM-MNOVXSKESA-N 2 0 243.351 -0.016 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262234658 135286382 /nfs/dbraw/zinc/28/63/82/135286382.db2.gz HEVJJBAAOFYDCQ-GHMZBOCLSA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262234660 536862107 /nfs/dbraw/zinc/86/21/07/536862107.db2.gz HEVJJBAAOFYDCQ-MNOVXSKESA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000262234662 536862193 /nfs/dbraw/zinc/86/21/93/536862193.db2.gz HEVJJBAAOFYDCQ-QWRGUYRKSA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000262234665 135286507 /nfs/dbraw/zinc/28/65/07/135286507.db2.gz HEVJJBAAOFYDCQ-WDEREUQCSA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000262245431 135287562 /nfs/dbraw/zinc/28/75/62/135287562.db2.gz ICFBXUMEMKQZNX-GHMZBOCLSA-N 2 0 243.351 -0.192 10 0 BBAERP COC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000262245440 536861036 /nfs/dbraw/zinc/86/10/36/536861036.db2.gz ICFBXUMEMKQZNX-MNOVXSKESA-N 2 0 243.351 -0.192 10 0 BBAERP COC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262245446 536862806 /nfs/dbraw/zinc/86/28/06/536862806.db2.gz ICFBXUMEMKQZNX-QWRGUYRKSA-N 2 0 243.351 -0.192 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262245447 135287679 /nfs/dbraw/zinc/28/76/79/135287679.db2.gz ICFBXUMEMKQZNX-WDEREUQCSA-N 2 0 243.351 -0.192 10 0 BBAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262271053 135289009 /nfs/dbraw/zinc/28/90/09/135289009.db2.gz NAGXNXVLYAYWEY-NXEZZACHSA-N 2 0 229.324 -0.977 10 0 BBAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262271054 534996614 /nfs/dbraw/zinc/99/66/14/534996614.db2.gz NAGXNXVLYAYWEY-UWVGGRQHSA-N 2 0 229.324 -0.977 10 0 BBAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262271055 534998320 /nfs/dbraw/zinc/99/83/20/534998320.db2.gz NAGXNXVLYAYWEY-VHSXEESVSA-N 2 0 229.324 -0.977 10 0 BBAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262271056 135289269 /nfs/dbraw/zinc/28/92/69/135289269.db2.gz NAGXNXVLYAYWEY-ZJUUUORDSA-N 2 0 229.324 -0.977 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262294280 135291374 /nfs/dbraw/zinc/29/13/74/135291374.db2.gz NEOHEUAZIHEHIS-DVVUODLYSA-N 2 0 241.335 -0.441 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262294281 135291755 /nfs/dbraw/zinc/29/17/55/135291755.db2.gz NEOHEUAZIHEHIS-INTQDDNPSA-N 2 0 241.335 -0.441 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262294282 135291497 /nfs/dbraw/zinc/29/14/97/135291497.db2.gz NEOHEUAZIHEHIS-LSJOCFKGSA-N 2 0 241.335 -0.441 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262294283 135291533 /nfs/dbraw/zinc/29/15/33/135291533.db2.gz NEOHEUAZIHEHIS-MIMYLULJSA-N 2 0 241.335 -0.441 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262313520 135292324 /nfs/dbraw/zinc/29/23/24/135292324.db2.gz QQFHPCNSGHBXID-YIZRAAEISA-N 2 0 215.297 -0.913 10 0 BBAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])COC ZINC000262337908 535486761 /nfs/dbraw/zinc/48/67/61/535486761.db2.gz SIKHXYKGWFSMGG-GHMZBOCLSA-N 2 0 243.351 -0.049 10 0 BBAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])COC ZINC000262337909 535485431 /nfs/dbraw/zinc/48/54/31/535485431.db2.gz SIKHXYKGWFSMGG-MNOVXSKESA-N 2 0 243.351 -0.049 10 0 BBAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])COC ZINC000262337910 535508488 /nfs/dbraw/zinc/50/84/88/535508488.db2.gz SIKHXYKGWFSMGG-QWRGUYRKSA-N 2 0 243.351 -0.049 10 0 BBAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])COC ZINC000262337911 535506981 /nfs/dbraw/zinc/50/69/81/535506981.db2.gz SIKHXYKGWFSMGG-WDEREUQCSA-N 2 0 243.351 -0.049 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000262358490 135295063 /nfs/dbraw/zinc/29/50/63/135295063.db2.gz VGGUILBECQFSPE-DCAQKATOSA-N 2 0 243.351 -0.241 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000262358499 135295188 /nfs/dbraw/zinc/29/51/88/135295188.db2.gz VGGUILBECQFSPE-GARJFASQSA-N 2 0 243.351 -0.241 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000262358506 135295112 /nfs/dbraw/zinc/29/51/12/135295112.db2.gz VGGUILBECQFSPE-OUAUKWLOSA-N 2 0 243.351 -0.241 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000262358514 135295581 /nfs/dbraw/zinc/29/55/81/135295581.db2.gz VGGUILBECQFSPE-VWYCJHECSA-N 2 0 243.351 -0.241 10 0 BBAERP COCC1(CNC(=O)C2C[NH2+]C2)CC[NH2+]CC1 ZINC000262363420 135297228 /nfs/dbraw/zinc/29/72/28/135297228.db2.gz KROXWJAFXMMNLY-UHFFFAOYSA-N 2 0 241.335 -0.662 10 0 BBAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262398987 135299004 /nfs/dbraw/zinc/29/90/04/135299004.db2.gz YKZBIROGCRVVSY-NXEZZACHSA-N 2 0 229.324 -0.975 10 0 BBAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262398988 135298779 /nfs/dbraw/zinc/29/87/79/135298779.db2.gz YKZBIROGCRVVSY-UWVGGRQHSA-N 2 0 229.324 -0.975 10 0 BBAERP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262398989 135298558 /nfs/dbraw/zinc/29/85/58/135298558.db2.gz YKZBIROGCRVVSY-VHSXEESVSA-N 2 0 229.324 -0.975 10 0 BBAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262398990 135299898 /nfs/dbraw/zinc/29/98/98/135299898.db2.gz YKZBIROGCRVVSY-ZJUUUORDSA-N 2 0 229.324 -0.975 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000262419979 536661655 /nfs/dbraw/zinc/66/16/55/536661655.db2.gz RQNVPTCYPAFXOD-NXEZZACHSA-N 2 0 229.324 -0.584 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000262419983 536863854 /nfs/dbraw/zinc/86/38/54/536863854.db2.gz RQNVPTCYPAFXOD-UWVGGRQHSA-N 2 0 229.324 -0.584 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000262419986 135295913 /nfs/dbraw/zinc/29/59/13/135295913.db2.gz RQNVPTCYPAFXOD-VHSXEESVSA-N 2 0 229.324 -0.584 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000262419987 135296316 /nfs/dbraw/zinc/29/63/16/135296316.db2.gz RQNVPTCYPAFXOD-ZJUUUORDSA-N 2 0 229.324 -0.584 10 0 BBAERP C[NH2+]CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000262448891 135299306 /nfs/dbraw/zinc/29/93/06/135299306.db2.gz VQDZLHDWEZKXGE-GHMZBOCLSA-N 2 0 243.351 -0.491 10 0 BBAERP C[NH2+]CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000262448893 135299203 /nfs/dbraw/zinc/29/92/03/135299203.db2.gz VQDZLHDWEZKXGE-MNOVXSKESA-N 2 0 243.351 -0.491 10 0 BBAERP C[NH2+]CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000262448896 135299234 /nfs/dbraw/zinc/29/92/34/135299234.db2.gz VQDZLHDWEZKXGE-QWRGUYRKSA-N 2 0 243.351 -0.491 10 0 BBAERP C[NH2+]CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000262448898 135299214 /nfs/dbraw/zinc/29/92/14/135299214.db2.gz VQDZLHDWEZKXGE-WDEREUQCSA-N 2 0 243.351 -0.491 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000262457210 536661674 /nfs/dbraw/zinc/66/16/74/536661674.db2.gz WPVAKZLSGIYDDP-NXEZZACHSA-N 2 0 243.351 -0.146 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000262457212 135300214 /nfs/dbraw/zinc/30/02/14/135300214.db2.gz WPVAKZLSGIYDDP-UWVGGRQHSA-N 2 0 243.351 -0.146 10 0 BBAERP COC[C@H]([NH3+])C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000262457213 135300489 /nfs/dbraw/zinc/30/04/89/135300489.db2.gz WPVAKZLSGIYDDP-VHSXEESVSA-N 2 0 243.351 -0.146 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000262457214 135300331 /nfs/dbraw/zinc/30/03/31/135300331.db2.gz WPVAKZLSGIYDDP-ZJUUUORDSA-N 2 0 243.351 -0.146 10 0 BBAERP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])COC ZINC000262470667 135301273 /nfs/dbraw/zinc/30/12/73/135301273.db2.gz YIWMLATXVSNDMF-NXEZZACHSA-N 2 0 229.324 -0.439 10 0 BBAERP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])COC ZINC000262470670 535744182 /nfs/dbraw/zinc/74/41/82/535744182.db2.gz YIWMLATXVSNDMF-UWVGGRQHSA-N 2 0 229.324 -0.439 10 0 BBAERP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])COC ZINC000262470671 135301217 /nfs/dbraw/zinc/30/12/17/135301217.db2.gz YIWMLATXVSNDMF-VHSXEESVSA-N 2 0 229.324 -0.439 10 0 BBAERP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])COC ZINC000262470674 135301310 /nfs/dbraw/zinc/30/13/10/135301310.db2.gz YIWMLATXVSNDMF-ZJUUUORDSA-N 2 0 229.324 -0.439 10 0 BBAERP C[C@H](O)CN1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C ZINC000262696029 135314628 /nfs/dbraw/zinc/31/46/28/135314628.db2.gz DGXZKXHSFXCHKN-UWVGGRQHSA-N 2 0 241.335 -0.609 10 0 BBAERP C[C@H](O)CN1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C ZINC000262696030 135314524 /nfs/dbraw/zinc/31/45/24/135314524.db2.gz DGXZKXHSFXCHKN-ZJUUUORDSA-N 2 0 241.335 -0.609 10 0 BBAERP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263149366 135335485 /nfs/dbraw/zinc/33/54/85/135335485.db2.gz CYYBUKZJJHZJRF-NXEZZACHSA-N 2 0 244.335 -0.254 10 0 BBAERP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263149367 135335344 /nfs/dbraw/zinc/33/53/44/135335344.db2.gz CYYBUKZJJHZJRF-UWVGGRQHSA-N 2 0 244.335 -0.254 10 0 BBAERP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263149368 135335796 /nfs/dbraw/zinc/33/57/96/135335796.db2.gz CYYBUKZJJHZJRF-VHSXEESVSA-N 2 0 244.335 -0.254 10 0 BBAERP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263149370 135335660 /nfs/dbraw/zinc/33/56/60/135335660.db2.gz CYYBUKZJJHZJRF-ZJUUUORDSA-N 2 0 244.335 -0.254 10 0 BBAERP COCCC[N@H+](C)CCNC(=O)C1C[NH2+]C1 ZINC000263240521 536499907 /nfs/dbraw/zinc/49/99/07/536499907.db2.gz CEBAGXQRDDEVIA-UHFFFAOYSA-N 2 0 229.324 -0.710 10 0 BBAERP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263267641 135343811 /nfs/dbraw/zinc/34/38/11/135343811.db2.gz HRUWWZVBGDHSRH-LLVKDONJSA-N 2 0 241.335 -0.567 10 0 BBAERP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263267643 135343693 /nfs/dbraw/zinc/34/36/93/135343693.db2.gz HRUWWZVBGDHSRH-NSHDSACASA-N 2 0 241.335 -0.567 10 0 BBAERP [NH3+][C@@H]1CCOC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000299965044 358958433 /nfs/dbraw/zinc/95/84/33/358958433.db2.gz AAQQSDPQYWRSOM-KXUCPTDWSA-N 2 0 200.282 -0.583 10 0 BBAERP [NH3+][C@@H]1CCOC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000299965045 358958370 /nfs/dbraw/zinc/95/83/70/358958370.db2.gz AAQQSDPQYWRSOM-LPEHRKFASA-N 2 0 200.282 -0.583 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000300058498 352553792 /nfs/dbraw/zinc/55/37/92/352553792.db2.gz CIWJTLSNVULSDH-AXTSPUMRSA-N 2 0 200.282 -0.849 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000300058499 357180258 /nfs/dbraw/zinc/18/02/58/357180258.db2.gz CIWJTLSNVULSDH-XKNYDFJKSA-N 2 0 200.282 -0.849 10 0 BBAERP [NH3+][C@@H]1CCC[C@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1 ZINC000300058548 357180231 /nfs/dbraw/zinc/18/02/31/357180231.db2.gz DMCSBDPNAMEFNU-KATARQTJSA-N 2 0 200.282 -0.706 10 0 BBAERP [NH3+][C@@H]1CCC[C@H]([NH+]2C[C@@H](O)[C@H](O)C2)C1 ZINC000300058549 357180109 /nfs/dbraw/zinc/18/01/09/357180109.db2.gz DMCSBDPNAMEFNU-UTINFBMNSA-N 2 0 200.282 -0.706 10 0 BBAERP NC(=[NH2+])NC(=[NH2+])NC[C@H]1CCSC1 ZINC000300230169 358594830 /nfs/dbraw/zinc/59/48/30/358594830.db2.gz RNHLTYPFSXKMBQ-RXMQYKEDSA-N 2 0 201.299 -0.253 10 0 BBAERP [NH3+][C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000300377253 352561329 /nfs/dbraw/zinc/56/13/29/352561329.db2.gz OTCQVOCMGINDNR-KXUCPTDWSA-N 2 0 200.282 -0.393 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000300377256 352561275 /nfs/dbraw/zinc/56/12/75/352561275.db2.gz OTCQVOCMGINDNR-OPRDCNLKSA-N 2 0 200.282 -0.393 10 0 BBAERP [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC[NH2+]1 ZINC000306164427 711773248 /nfs/dbraw/zinc/77/32/48/711773248.db2.gz IFYZCEAPLNXSDM-BIIVOSGPSA-N 2 0 201.245 -0.754 10 0 BBAERP [NH3+]C[C@@H]1C[C@H](F)CN1C[C@H]1CC[NH2+]C1 ZINC000306167168 711773386 /nfs/dbraw/zinc/77/33/86/711773386.db2.gz JEXXTDWIZTZIFS-GUBZILKMSA-N 2 0 201.289 -0.033 10 0 BBAERP [NH3+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CC[NH2+]C1 ZINC000306167170 711773335 /nfs/dbraw/zinc/77/33/35/711773335.db2.gz JEXXTDWIZTZIFS-UTLUCORTSA-N 2 0 201.289 -0.033 10 0 BBAERP [NH3+]C[C@@H]1CN([C@@H]2CCOC2)CCCO1 ZINC000306170874 358980447 /nfs/dbraw/zinc/98/04/47/358980447.db2.gz KZXQJLRXPLPRHB-NXEZZACHSA-N 2 0 200.282 -0.175 10 0 BBAERP [NH3+]C[C@H]1CN([C@H]2CCOC2)CCCO1 ZINC000306170877 358980575 /nfs/dbraw/zinc/98/05/75/358980575.db2.gz KZXQJLRXPLPRHB-UWVGGRQHSA-N 2 0 200.282 -0.175 10 0 BBAERP [NH3+]C[C@@H]1CN([C@H]2CCOC2)CCCO1 ZINC000306170880 358980463 /nfs/dbraw/zinc/98/04/63/358980463.db2.gz KZXQJLRXPLPRHB-VHSXEESVSA-N 2 0 200.282 -0.175 10 0 BBAERP [NH3+]C[C@H]1CN([C@@H]2CCOC2)CCCO1 ZINC000306170883 358980288 /nfs/dbraw/zinc/98/02/88/358980288.db2.gz KZXQJLRXPLPRHB-ZJUUUORDSA-N 2 0 200.282 -0.175 10 0 BBAERP C[C@@H]1SCC[C@H]1NC(=[NH2+])NC(N)=[NH2+] ZINC000306364692 353007626 /nfs/dbraw/zinc/00/76/26/353007626.db2.gz DXDZAZJZYNMHNV-CRCLSJGQSA-N 2 0 201.299 -0.112 10 0 BBAERP O=C(NCC1C[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000306540243 360405383 /nfs/dbraw/zinc/40/53/83/360405383.db2.gz ONAUMTJCGCFRIO-SECBINFHSA-N 2 0 201.245 -0.976 10 0 BBAERP O=C(NCC1C[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000306540244 360405662 /nfs/dbraw/zinc/40/56/62/360405662.db2.gz ONAUMTJCGCFRIO-VIFPVBQESA-N 2 0 201.245 -0.976 10 0 BBAERP NC(=O)[C@]1(N)CC[C@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)C1 ZINC000306560013 360434981 /nfs/dbraw/zinc/43/49/81/360434981.db2.gz REIZQTLTLYWSAI-DKIAZLNASA-N 2 0 209.293 -0.327 10 0 BBAERP C[NH+](C)C1CN(C[C@@H]2CSCC[NH2+]2)C1 ZINC000306568442 360449480 /nfs/dbraw/zinc/44/94/80/360449480.db2.gz USGICBHPPQISPQ-SECBINFHSA-N 2 0 215.366 -0.063 10 0 BBAERP C[NH+](C)C1CN(C[C@H]2CSCC[NH2+]2)C1 ZINC000306568443 360449429 /nfs/dbraw/zinc/44/94/29/360449429.db2.gz USGICBHPPQISPQ-VIFPVBQESA-N 2 0 215.366 -0.063 10 0 BBAERP CC(C)(O)CCN1CC[NH2+]C[C@@H](O)C1 ZINC000306580074 360470770 /nfs/dbraw/zinc/47/07/70/360470770.db2.gz NNSAYKFFZGPYQD-SECBINFHSA-N 2 0 202.298 -0.587 10 0 BBAERP CC(C)(O)CCN1CC[NH2+]C[C@H](O)C1 ZINC000306580075 360470690 /nfs/dbraw/zinc/47/06/90/360470690.db2.gz NNSAYKFFZGPYQD-VIFPVBQESA-N 2 0 202.298 -0.587 10 0 BBAERP O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000306588887 411509566 /nfs/dbraw/zinc/50/95/66/411509566.db2.gz NWTVMKBOMFNTAM-BIIVOSGPSA-N 2 0 201.245 -0.836 10 0 BBAERP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000306588888 384642021 /nfs/dbraw/zinc/64/20/21/384642021.db2.gz NWTVMKBOMFNTAM-XLPZGREQSA-N 2 0 201.245 -0.836 10 0 BBAERP O[C@H](CF)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000306631109 361362407 /nfs/dbraw/zinc/36/24/07/361362407.db2.gz LEEZCSRWAWCGAC-IVZWLZJFSA-N 2 0 202.273 -0.142 10 0 BBAERP O[C@H](CF)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000306631110 361362468 /nfs/dbraw/zinc/36/24/68/361362468.db2.gz LEEZCSRWAWCGAC-KXUCPTDWSA-N 2 0 202.273 -0.142 10 0 BBAERP O[C@H](CF)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000306631111 361363147 /nfs/dbraw/zinc/36/31/47/361363147.db2.gz LEEZCSRWAWCGAC-LPEHRKFASA-N 2 0 202.273 -0.142 10 0 BBAERP O[C@H](CF)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000306631112 361362935 /nfs/dbraw/zinc/36/29/35/361362935.db2.gz LEEZCSRWAWCGAC-OPRDCNLKSA-N 2 0 202.273 -0.142 10 0 BBAERP [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000306648907 323031939 /nfs/dbraw/zinc/03/19/39/323031939.db2.gz QIOZTYQCTNWFNM-BIIVOSGPSA-N 2 0 201.245 -0.754 10 0 BBAERP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000306648910 411456253 /nfs/dbraw/zinc/45/62/53/411456253.db2.gz QIOZTYQCTNWFNM-XLPZGREQSA-N 2 0 201.245 -0.754 10 0 BBAERP CC(C)[C@](C)(O)CNC(=[NH2+])NC(N)=[NH2+] ZINC000306727540 372061634 /nfs/dbraw/zinc/06/16/34/372061634.db2.gz MREOWSVKJAZVBP-MRVPVSSYSA-N 2 0 201.274 -0.599 10 0 BBAERP CC(C)[C@@](C)(O)CNC(=[NH2+])NC(N)=[NH2+] ZINC000306727541 372061519 /nfs/dbraw/zinc/06/15/19/372061519.db2.gz MREOWSVKJAZVBP-QMMMGPOBSA-N 2 0 201.274 -0.599 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000306754182 350966290 /nfs/dbraw/zinc/96/62/90/350966290.db2.gz MRUJTAIGRMXPFY-KATARQTJSA-N 2 0 200.282 -0.978 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@H]1[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000306754183 350965784 /nfs/dbraw/zinc/96/57/84/350965784.db2.gz MRUJTAIGRMXPFY-KYXWUPHJSA-N 2 0 200.282 -0.978 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000306754184 350965956 /nfs/dbraw/zinc/96/59/56/350965956.db2.gz MRUJTAIGRMXPFY-RGOKHQFPSA-N 2 0 200.282 -0.978 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000306754185 350966041 /nfs/dbraw/zinc/96/60/41/350966041.db2.gz MRUJTAIGRMXPFY-UTINFBMNSA-N 2 0 200.282 -0.978 10 0 BBAERP CC1(C)SC[C@@H]1NC(=[NH2+])NC(N)=[NH2+] ZINC000306962567 351384081 /nfs/dbraw/zinc/38/40/81/351384081.db2.gz BXVRWMJMVMZIRL-BYPYZUCNSA-N 2 0 201.299 -0.112 10 0 BBAERP CC1(C)SC[C@H]1NC(=[NH2+])NC(N)=[NH2+] ZINC000306962569 351383202 /nfs/dbraw/zinc/38/32/02/351383202.db2.gz BXVRWMJMVMZIRL-SCSAIBSYSA-N 2 0 201.299 -0.112 10 0 BBAERP Cc1nnc(CNC(=[NH2+])NC(N)=[NH2+])s1 ZINC000307003987 353049022 /nfs/dbraw/zinc/04/90/22/353049022.db2.gz DJFBLKZHDZEGRY-UHFFFAOYSA-N 2 0 213.270 -0.646 10 0 BBAERP C[C@H]1CSC[C@H]1NC(=[NH2+])NC(N)=[NH2+] ZINC000307011760 351419325 /nfs/dbraw/zinc/41/93/25/351419325.db2.gz LHXIMNXWRGXDKZ-CRCLSJGQSA-N 2 0 201.299 -0.255 10 0 BBAERP C[C@@H]1CSC[C@H]1NC(=[NH2+])NC(N)=[NH2+] ZINC000307011770 351419417 /nfs/dbraw/zinc/41/94/17/351419417.db2.gz LHXIMNXWRGXDKZ-RFZPGFLSSA-N 2 0 201.299 -0.255 10 0 BBAERP C[C@@H]1CSC[C@@H]1NC(=[NH2+])NC(N)=[NH2+] ZINC000307011779 351419524 /nfs/dbraw/zinc/41/95/24/351419524.db2.gz LHXIMNXWRGXDKZ-UHNVWZDZSA-N 2 0 201.299 -0.255 10 0 BBAERP C[C@H]1CSC[C@@H]1NC(=[NH2+])NC(N)=[NH2+] ZINC000307011786 351418902 /nfs/dbraw/zinc/41/89/02/351418902.db2.gz LHXIMNXWRGXDKZ-WHFBIAKZSA-N 2 0 201.299 -0.255 10 0 BBAERP [NH3+]CC1(O)CC[NH+](C2CSC2)CC1 ZINC000307054524 351454387 /nfs/dbraw/zinc/45/43/87/351454387.db2.gz RGDWMCQMSCCOLW-UHFFFAOYSA-N 2 0 202.323 -0.113 10 0 BBAERP CO[C@H]1COCC[C@H]1[NH2+]C1CC([NH3+])C1 ZINC000307055676 351456539 /nfs/dbraw/zinc/45/65/39/351456539.db2.gz ZJFUCWFRBUBVNG-BMNUFHGDSA-N 2 0 200.282 -0.130 10 0 BBAERP CO[C@@H]1COCC[C@@H]1[NH2+]C1CC([NH3+])C1 ZINC000307055677 351456391 /nfs/dbraw/zinc/45/63/91/351456391.db2.gz ZJFUCWFRBUBVNG-HORUIINNSA-N 2 0 200.282 -0.130 10 0 BBAERP CO[C@H]1COCC[C@@H]1[NH2+]C1CC([NH3+])C1 ZINC000307055678 351456095 /nfs/dbraw/zinc/45/60/95/351456095.db2.gz ZJFUCWFRBUBVNG-QLEHZGMVSA-N 2 0 200.282 -0.130 10 0 BBAERP CO[C@@H]1COCC[C@H]1[NH2+]C1CC([NH3+])C1 ZINC000307055679 351456551 /nfs/dbraw/zinc/45/65/51/351456551.db2.gz ZJFUCWFRBUBVNG-YDYPAMBWSA-N 2 0 200.282 -0.130 10 0 BBAERP CS[C@H]1CCN([C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000307106665 351482142 /nfs/dbraw/zinc/48/21/42/351482142.db2.gz DYPRZAMDAMRVJH-DJLDLDEBSA-N 2 0 202.323 -0.244 10 0 BBAERP C[C@@](O)(C[C@@H]1COCC[NH2+]1)C1C[NH2+]C1 ZINC000307136554 351494071 /nfs/dbraw/zinc/49/40/71/351494071.db2.gz VDMNMWDLQWUSAF-NXEZZACHSA-N 2 0 200.282 -0.665 10 0 BBAERP C[C@](O)(C[C@H]1COCC[NH2+]1)C1C[NH2+]C1 ZINC000307136555 351494404 /nfs/dbraw/zinc/49/44/04/351494404.db2.gz VDMNMWDLQWUSAF-UWVGGRQHSA-N 2 0 200.282 -0.665 10 0 BBAERP C[C@@](O)(C[C@H]1COCC[NH2+]1)C1C[NH2+]C1 ZINC000307136556 351494294 /nfs/dbraw/zinc/49/42/94/351494294.db2.gz VDMNMWDLQWUSAF-VHSXEESVSA-N 2 0 200.282 -0.665 10 0 BBAERP C[C@](O)(C[C@@H]1COCC[NH2+]1)C1C[NH2+]C1 ZINC000307136557 351494099 /nfs/dbraw/zinc/49/40/99/351494099.db2.gz VDMNMWDLQWUSAF-ZJUUUORDSA-N 2 0 200.282 -0.665 10 0 BBAERP CO[C@@H]1C[C@@H](C[NH3+])N([C@@H]2CCOC2)C1 ZINC000307160372 351511787 /nfs/dbraw/zinc/51/17/87/351511787.db2.gz WCEIDTAORTWHOC-KXUCPTDWSA-N 2 0 200.282 -0.177 10 0 BBAERP CO[C@@H]1C[C@@H](C[NH3+])N([C@H]2CCOC2)C1 ZINC000307160373 351512162 /nfs/dbraw/zinc/51/21/62/351512162.db2.gz WCEIDTAORTWHOC-LPEHRKFASA-N 2 0 200.282 -0.177 10 0 BBAERP CO[C@@H]1C[C@H](C[NH3+])N([C@@H]2CCOC2)C1 ZINC000307160374 351512424 /nfs/dbraw/zinc/51/24/24/351512424.db2.gz WCEIDTAORTWHOC-OPRDCNLKSA-N 2 0 200.282 -0.177 10 0 BBAERP [NH3+][C@H]1CCC[C@H](NC2CS(=O)(=O)C2)C1 ZINC000307248989 351754785 /nfs/dbraw/zinc/75/47/85/351754785.db2.gz IQQNFMXIPYDDNX-YUMQZZPRSA-N 2 0 218.322 -0.357 10 0 BBAERP C[C@H]1C[C@@H](NC(=[NH2+])NC(N)=[NH2+])CS1 ZINC000307270195 351818191 /nfs/dbraw/zinc/81/81/91/351818191.db2.gz NBRJFKWBGBHIMC-CRCLSJGQSA-N 2 0 201.299 -0.112 10 0 BBAERP C[C@@H]1C[C@@H](NC(=[NH2+])NC(N)=[NH2+])CS1 ZINC000307270196 351818022 /nfs/dbraw/zinc/81/80/22/351818022.db2.gz NBRJFKWBGBHIMC-RFZPGFLSSA-N 2 0 201.299 -0.112 10 0 BBAERP C[C@@H]1C[C@H](NC(=[NH2+])NC(N)=[NH2+])CS1 ZINC000307270197 351818295 /nfs/dbraw/zinc/81/82/95/351818295.db2.gz NBRJFKWBGBHIMC-UHNVWZDZSA-N 2 0 201.299 -0.112 10 0 BBAERP C[C@H]1C[C@H](NC(=[NH2+])NC(N)=[NH2+])CS1 ZINC000307270198 351818227 /nfs/dbraw/zinc/81/82/27/351818227.db2.gz NBRJFKWBGBHIMC-WHFBIAKZSA-N 2 0 201.299 -0.112 10 0 BBAERP CN([C@@H]1COC[C@H]1O)C1CC[NH2+]CC1 ZINC000307313596 351990352 /nfs/dbraw/zinc/99/03/52/351990352.db2.gz KCROBEAFNYBRRF-NXEZZACHSA-N 2 0 200.282 -0.570 10 0 BBAERP CN([C@H]1COC[C@@H]1O)C1CC[NH2+]CC1 ZINC000307313599 351989965 /nfs/dbraw/zinc/98/99/65/351989965.db2.gz KCROBEAFNYBRRF-UWVGGRQHSA-N 2 0 200.282 -0.570 10 0 BBAERP CN([C@H]1COC[C@H]1O)C1CC[NH2+]CC1 ZINC000307313601 351990563 /nfs/dbraw/zinc/99/05/63/351990563.db2.gz KCROBEAFNYBRRF-VHSXEESVSA-N 2 0 200.282 -0.570 10 0 BBAERP CN([C@@H]1COC[C@@H]1O)C1CC[NH2+]CC1 ZINC000307313602 351990040 /nfs/dbraw/zinc/99/00/40/351990040.db2.gz KCROBEAFNYBRRF-ZJUUUORDSA-N 2 0 200.282 -0.570 10 0 BBAERP [NH3+]C[C@@H]1C[C@@H](F)CN1C(=O)[C@H]1CC[NH2+]1 ZINC000307362070 352444577 /nfs/dbraw/zinc/44/45/77/352444577.db2.gz IFYZCEAPLNXSDM-GJMOJQLCSA-N 2 0 201.245 -0.754 10 0 BBAERP CS[C@@H]1CCN(C(=[NH2+])NC(N)=[NH2+])C1 ZINC000307389455 352546719 /nfs/dbraw/zinc/54/67/19/352546719.db2.gz QSNZNJZLCINWKL-RXMQYKEDSA-N 2 0 201.299 -0.158 10 0 BBAERP CS[C@H]1CCN(C(=[NH2+])NC(N)=[NH2+])C1 ZINC000307389456 352546757 /nfs/dbraw/zinc/54/67/57/352546757.db2.gz QSNZNJZLCINWKL-YFKPBYRVSA-N 2 0 201.299 -0.158 10 0 BBAERP CSCC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+] ZINC000308821514 348711223 /nfs/dbraw/zinc/71/12/23/348711223.db2.gz CDRAJXLAORSERF-HTQZYQBOSA-N 2 0 219.354 -0.080 10 0 BBAERP CSCC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH3+] ZINC000308821516 323179247 /nfs/dbraw/zinc/17/92/47/323179247.db2.gz CDRAJXLAORSERF-SFYZADRCSA-N 2 0 219.354 -0.080 10 0 BBAERP CC(C)OC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000308852288 631694635 /nfs/dbraw/zinc/69/46/35/631694635.db2.gz OTEMUNPVFOKWAK-NXEZZACHSA-N 2 0 220.313 -0.976 10 0 BBAERP CC(C)OC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000308852290 631930616 /nfs/dbraw/zinc/93/06/16/631930616.db2.gz OTEMUNPVFOKWAK-UWVGGRQHSA-N 2 0 220.313 -0.976 10 0 BBAERP CC(C)OC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000308852292 631932207 /nfs/dbraw/zinc/93/22/07/631932207.db2.gz OTEMUNPVFOKWAK-VHSXEESVSA-N 2 0 220.313 -0.976 10 0 BBAERP CC(C)OC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000308852294 631695474 /nfs/dbraw/zinc/69/54/74/631695474.db2.gz OTEMUNPVFOKWAK-ZJUUUORDSA-N 2 0 220.313 -0.976 10 0 BBAERP COC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000308873813 537909569 /nfs/dbraw/zinc/90/95/69/537909569.db2.gz LYSNBMAEFVXPKP-BBBLOLIVSA-N 2 0 202.298 -0.561 10 0 BBAERP COC[C@H](C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000308873814 537908990 /nfs/dbraw/zinc/90/89/90/537908990.db2.gz LYSNBMAEFVXPKP-KXUCPTDWSA-N 2 0 202.298 -0.561 10 0 BBAERP COC[C@H](C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000308873816 537908477 /nfs/dbraw/zinc/90/84/77/537908477.db2.gz LYSNBMAEFVXPKP-OPRDCNLKSA-N 2 0 202.298 -0.561 10 0 BBAERP COC[C@H](C)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000308873817 537908199 /nfs/dbraw/zinc/90/81/99/537908199.db2.gz LYSNBMAEFVXPKP-UTLUCORTSA-N 2 0 202.298 -0.561 10 0 BBAERP CCC[NH2+]CCNC(=O)[C@H]([NH3+])COC ZINC000308915983 323181594 /nfs/dbraw/zinc/18/15/94/323181594.db2.gz BEFSGSXHOPCIQP-MRVPVSSYSA-N 2 0 203.286 -0.924 10 0 BBAERP COC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309005506 631798584 /nfs/dbraw/zinc/79/85/84/631798584.db2.gz UJIUWYYOFFKPNN-LNFKQOIKSA-N 2 0 214.309 -0.337 10 0 BBAERP COC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309005507 631799636 /nfs/dbraw/zinc/79/96/36/631799636.db2.gz UJIUWYYOFFKPNN-VLEAKVRGSA-N 2 0 214.309 -0.337 10 0 BBAERP COC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309005508 631799024 /nfs/dbraw/zinc/79/90/24/631799024.db2.gz UJIUWYYOFFKPNN-ZDCRXTMVSA-N 2 0 214.309 -0.337 10 0 BBAERP COC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309005509 631799770 /nfs/dbraw/zinc/79/97/70/631799770.db2.gz UJIUWYYOFFKPNN-ZRUFSTJUSA-N 2 0 214.309 -0.337 10 0 BBAERP COCC[NH2+]CC(=O)NCC[C@@H](C)[NH3+] ZINC000309112733 259342161 /nfs/dbraw/zinc/34/21/61/259342161.db2.gz KGIVJXMWMHMXQC-MRVPVSSYSA-N 2 0 203.286 -0.924 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309127039 491129021 /nfs/dbraw/zinc/12/90/21/491129021.db2.gz QCNQTUXLSYCSQV-HTQZYQBOSA-N 2 0 203.286 -0.940 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000309127041 491129056 /nfs/dbraw/zinc/12/90/56/491129056.db2.gz QCNQTUXLSYCSQV-JGVFFNPUSA-N 2 0 203.286 -0.940 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CCSC ZINC000309153521 350108986 /nfs/dbraw/zinc/10/89/86/350108986.db2.gz WVLHJEXQDKIFGF-HTQZYQBOSA-N 2 0 219.354 -0.209 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)[C@H]([NH3+])CCSC ZINC000309153525 346971635 /nfs/dbraw/zinc/97/16/35/346971635.db2.gz WVLHJEXQDKIFGF-JGVFFNPUSA-N 2 0 219.354 -0.209 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CCSC ZINC000309153529 350108846 /nfs/dbraw/zinc/10/88/46/350108846.db2.gz WVLHJEXQDKIFGF-SFYZADRCSA-N 2 0 219.354 -0.209 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)[C@@H]([NH3+])CCSC ZINC000309153533 350109005 /nfs/dbraw/zinc/10/90/05/350109005.db2.gz WVLHJEXQDKIFGF-YUMQZZPRSA-N 2 0 219.354 -0.209 10 0 BBAERP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])COC ZINC000309159249 350108878 /nfs/dbraw/zinc/10/88/78/350108878.db2.gz YGOXAINABUJBAA-HTQZYQBOSA-N 2 0 203.286 -0.926 10 0 BBAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])COC ZINC000309159250 350108980 /nfs/dbraw/zinc/10/89/80/350108980.db2.gz YGOXAINABUJBAA-SFYZADRCSA-N 2 0 203.286 -0.926 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000309257593 410667884 /nfs/dbraw/zinc/66/78/84/410667884.db2.gz ASWIKZYSBGPZEW-AEJSXWLSSA-N 2 0 211.309 -0.079 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000309257596 410668327 /nfs/dbraw/zinc/66/83/27/410668327.db2.gz ASWIKZYSBGPZEW-BBBLOLIVSA-N 2 0 211.309 -0.079 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000309257599 410667772 /nfs/dbraw/zinc/66/77/72/410667772.db2.gz ASWIKZYSBGPZEW-IVZWLZJFSA-N 2 0 211.309 -0.079 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000309257601 410667955 /nfs/dbraw/zinc/66/79/55/410667955.db2.gz ASWIKZYSBGPZEW-OPRDCNLKSA-N 2 0 211.309 -0.079 10 0 BBAERP CC(C)([NH3+])CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000309267864 323337491 /nfs/dbraw/zinc/33/74/91/323337491.db2.gz KASHTQNPRMJOQB-NXEZZACHSA-N 2 0 213.325 -0.214 10 0 BBAERP CC(C)([NH3+])CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000309267865 323337659 /nfs/dbraw/zinc/33/76/59/323337659.db2.gz KASHTQNPRMJOQB-UWVGGRQHSA-N 2 0 213.325 -0.214 10 0 BBAERP CC(C)([NH3+])CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000309267866 323337277 /nfs/dbraw/zinc/33/72/77/323337277.db2.gz KASHTQNPRMJOQB-VHSXEESVSA-N 2 0 213.325 -0.214 10 0 BBAERP CC(C)([NH3+])CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000309267867 323337127 /nfs/dbraw/zinc/33/71/27/323337127.db2.gz KASHTQNPRMJOQB-ZJUUUORDSA-N 2 0 213.325 -0.214 10 0 BBAERP [NH3+]CCOCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000309274112 410701700 /nfs/dbraw/zinc/70/17/00/410701700.db2.gz DOTQLRITZUGKPN-VIFPVBQESA-N 2 0 215.297 -0.699 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309281830 410713279 /nfs/dbraw/zinc/71/32/79/410713279.db2.gz FTCCHOCXKHPMQQ-IVZWLZJFSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309281831 410712920 /nfs/dbraw/zinc/71/29/20/410712920.db2.gz FTCCHOCXKHPMQQ-LPEHRKFASA-N 2 0 211.309 -0.018 10 0 BBAERP CC(C)([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309290364 350256075 /nfs/dbraw/zinc/25/60/75/350256075.db2.gz QANGYVRBMOOCDA-CIUDSAMLSA-N 2 0 211.309 -0.081 10 0 BBAERP CC(C)([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309290365 350255624 /nfs/dbraw/zinc/25/56/24/350255624.db2.gz QANGYVRBMOOCDA-DJLDLDEBSA-N 2 0 211.309 -0.081 10 0 BBAERP CC(C)([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309290366 350255762 /nfs/dbraw/zinc/25/57/62/350255762.db2.gz QANGYVRBMOOCDA-XHNCKOQMSA-N 2 0 211.309 -0.081 10 0 BBAERP CC(C)([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309290367 350256038 /nfs/dbraw/zinc/25/60/38/350256038.db2.gz QANGYVRBMOOCDA-YIZRAAEISA-N 2 0 211.309 -0.081 10 0 BBAERP COCCN(C)C[C@H](O)C[NH2+]C(C)(C)CO ZINC000309304314 631997199 /nfs/dbraw/zinc/99/71/99/631997199.db2.gz ZIPRWOMSRDXEBC-SNVBAGLBSA-N 2 0 234.340 -0.714 10 0 BBAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309358168 411108192 /nfs/dbraw/zinc/10/81/92/411108192.db2.gz AAMGARJUGVXFKS-AATLWQCWSA-N 2 0 211.309 -0.068 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000309358169 411107704 /nfs/dbraw/zinc/10/77/04/411107704.db2.gz AAMGARJUGVXFKS-JXUBOQSCSA-N 2 0 211.309 -0.068 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000309358170 411107897 /nfs/dbraw/zinc/10/78/97/411107897.db2.gz AAMGARJUGVXFKS-QCLAVDOMSA-N 2 0 211.309 -0.068 10 0 BBAERP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])COC ZINC000309362990 350356504 /nfs/dbraw/zinc/35/65/04/350356504.db2.gz ATMVXTSELOPGLT-MRVPVSSYSA-N 2 0 217.313 -0.406 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309367926 411107890 /nfs/dbraw/zinc/10/78/90/411107890.db2.gz BMYHJVBNTCXCKT-SPFKKGSWSA-N 2 0 209.293 -0.600 10 0 BBAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309367927 411107829 /nfs/dbraw/zinc/10/78/29/411107829.db2.gz BMYHJVBNTCXCKT-SRQGCSHVSA-N 2 0 209.293 -0.600 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309367928 411107745 /nfs/dbraw/zinc/10/77/45/411107745.db2.gz BMYHJVBNTCXCKT-ZJDVBMNYSA-N 2 0 209.293 -0.600 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000309376262 398120007 /nfs/dbraw/zinc/12/00/07/398120007.db2.gz QVILIYWRXYCNQE-AEJSXWLSSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000309376264 411113864 /nfs/dbraw/zinc/11/38/64/411113864.db2.gz QVILIYWRXYCNQE-GUBZILKMSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000309376265 398120116 /nfs/dbraw/zinc/12/01/16/398120116.db2.gz QVILIYWRXYCNQE-IVZWLZJFSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000309376266 411113824 /nfs/dbraw/zinc/11/38/24/411113824.db2.gz QVILIYWRXYCNQE-LPEHRKFASA-N 2 0 211.309 -0.161 10 0 BBAERP C[C@@H]([NH3+])CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000309378099 350360401 /nfs/dbraw/zinc/36/04/01/350360401.db2.gz CXYVBXRQQNORKW-BDAKNGLRSA-N 2 0 215.297 -0.782 10 0 BBAERP C[C@@H]([NH3+])CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309378106 350360292 /nfs/dbraw/zinc/36/02/92/350360292.db2.gz CXYVBXRQQNORKW-RKDXNWHRSA-N 2 0 215.297 -0.782 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)C[C@H]12 ZINC000309383958 350366831 /nfs/dbraw/zinc/36/68/31/350366831.db2.gz ABJDDMIMFZAQEB-AXTSPUMRSA-N 2 0 209.293 -0.456 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3CC[NH2+]3)C[C@@H]12 ZINC000309383972 347044600 /nfs/dbraw/zinc/04/46/00/347044600.db2.gz ABJDDMIMFZAQEB-SGIHWFKDSA-N 2 0 209.293 -0.456 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)C[C@H]12 ZINC000309383983 350366963 /nfs/dbraw/zinc/36/69/63/350366963.db2.gz ABJDDMIMFZAQEB-UTINFBMNSA-N 2 0 209.293 -0.456 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH2+]3)C[C@@H]12 ZINC000309383998 347044608 /nfs/dbraw/zinc/04/46/08/347044608.db2.gz ABJDDMIMFZAQEB-ZYUZMQFOSA-N 2 0 209.293 -0.456 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000309397172 410930457 /nfs/dbraw/zinc/93/04/57/410930457.db2.gz GTKQCMDKGRXUNR-CIUDSAMLSA-N 2 0 215.297 -0.926 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000309397173 410930993 /nfs/dbraw/zinc/93/09/93/410930993.db2.gz GTKQCMDKGRXUNR-HRDYMLBCSA-N 2 0 215.297 -0.926 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000309397175 411163278 /nfs/dbraw/zinc/16/32/78/411163278.db2.gz GTKQCMDKGRXUNR-VGMNWLOBSA-N 2 0 215.297 -0.926 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000309397176 411163495 /nfs/dbraw/zinc/16/34/95/411163495.db2.gz GTKQCMDKGRXUNR-XHNCKOQMSA-N 2 0 215.297 -0.926 10 0 BBAERP C[C@@H]([NH3+])CCNC(=O)CCOC1C[NH2+]C1 ZINC000309405632 259343457 /nfs/dbraw/zinc/34/34/57/259343457.db2.gz HXKGSCBTWKEKAH-MRVPVSSYSA-N 2 0 215.297 -0.782 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000309421240 488064485 /nfs/dbraw/zinc/06/44/85/488064485.db2.gz JWQUYLMSRHAKLX-MRVPVSSYSA-N 2 0 217.313 -0.597 10 0 BBAERP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])COC ZINC000309422129 347058974 /nfs/dbraw/zinc/05/89/74/347058974.db2.gz JYQHCUBXTOKTCE-MRVPVSSYSA-N 2 0 217.313 -0.406 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000309445292 411397150 /nfs/dbraw/zinc/39/71/50/411397150.db2.gz LDAHDUZLOCYYMR-KXUCPTDWSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309445293 350498733 /nfs/dbraw/zinc/49/87/33/350498733.db2.gz LDAHDUZLOCYYMR-OPRDCNLKSA-N 2 0 211.309 -0.208 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CCC[NH3+])C1 ZINC000309452903 487558366 /nfs/dbraw/zinc/55/83/66/487558366.db2.gz MYRZKSMBQVWKGC-RKDXNWHRSA-N 2 0 215.297 -0.830 10 0 BBAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000309457550 323410691 /nfs/dbraw/zinc/41/06/91/323410691.db2.gz NYLXTDMQTPYLNJ-AEJSXWLSSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000309457552 387791368 /nfs/dbraw/zinc/79/13/68/387791368.db2.gz NYLXTDMQTPYLNJ-GUBZILKMSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000309457555 387792167 /nfs/dbraw/zinc/79/21/67/387792167.db2.gz NYLXTDMQTPYLNJ-IVZWLZJFSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000309457557 387791580 /nfs/dbraw/zinc/79/15/80/387791580.db2.gz NYLXTDMQTPYLNJ-LPEHRKFASA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]([NH3+])CNC(=O)[C@@H]1CCNCC1(F)F ZINC000309458238 411403324 /nfs/dbraw/zinc/40/33/24/411403324.db2.gz OCLFQJJHZHMDSC-BQBZGAKWSA-N 2 0 221.251 -0.305 10 0 BBAERP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000309464792 350538679 /nfs/dbraw/zinc/53/86/79/350538679.db2.gz PPRNJZAMFHGEGK-RQJHMYQMSA-N 2 0 221.251 -0.305 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000309464799 387802686 /nfs/dbraw/zinc/80/26/86/387802686.db2.gz PQEAZCGQOHQVLH-SECBINFHSA-N 2 0 217.313 -0.536 10 0 BBAERP [NH3+]C[C@@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000309467394 632099565 /nfs/dbraw/zinc/09/95/65/632099565.db2.gz TVDFBBNHXOKUBS-NWDGAFQWSA-N 2 0 227.352 -0.134 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000309477904 411497311 /nfs/dbraw/zinc/49/73/11/411497311.db2.gz COJMVKJYUQGNIQ-NXEZZACHSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000309477906 411497237 /nfs/dbraw/zinc/49/72/37/411497237.db2.gz COJMVKJYUQGNIQ-UWVGGRQHSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000309477908 411497258 /nfs/dbraw/zinc/49/72/58/411497258.db2.gz COJMVKJYUQGNIQ-VHSXEESVSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000309478279 411497470 /nfs/dbraw/zinc/49/74/70/411497470.db2.gz COJMVKJYUQGNIQ-ZJUUUORDSA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000309483267 411499273 /nfs/dbraw/zinc/49/92/73/411499273.db2.gz FHCOPXSUJXMAPK-NXEZZACHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000309483268 411499125 /nfs/dbraw/zinc/49/91/25/411499125.db2.gz FHCOPXSUJXMAPK-UWVGGRQHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000309483269 411498602 /nfs/dbraw/zinc/49/86/02/411498602.db2.gz FHCOPXSUJXMAPK-VHSXEESVSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000309483270 411498575 /nfs/dbraw/zinc/49/85/75/411498575.db2.gz FHCOPXSUJXMAPK-ZJUUUORDSA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@@]1(C(=O)NC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000309488167 411498754 /nfs/dbraw/zinc/49/87/54/411498754.db2.gz HIDHDXIIJLPMOK-GXSJLCMTSA-N 2 0 211.309 -0.288 10 0 BBAERP C[C@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000309488169 411499348 /nfs/dbraw/zinc/49/93/48/411499348.db2.gz HIDHDXIIJLPMOK-KOLCDFICSA-N 2 0 211.309 -0.288 10 0 BBAERP C[C@@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000309488170 411499211 /nfs/dbraw/zinc/49/92/11/411499211.db2.gz HIDHDXIIJLPMOK-MWLCHTKSSA-N 2 0 211.309 -0.288 10 0 BBAERP C[C@]1(C(=O)NC[C@H]2CC[NH2+]C2)CC[NH2+]C1 ZINC000309488171 411498830 /nfs/dbraw/zinc/49/88/30/411498830.db2.gz HIDHDXIIJLPMOK-ONGXEEELSA-N 2 0 211.309 -0.288 10 0 BBAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000309488212 347074351 /nfs/dbraw/zinc/07/43/51/347074351.db2.gz HJNJVLQNMCYWDP-AEJSXWLSSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000309488213 347074250 /nfs/dbraw/zinc/07/42/50/347074250.db2.gz HJNJVLQNMCYWDP-BBBLOLIVSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000309488215 347074490 /nfs/dbraw/zinc/07/44/90/347074490.db2.gz HJNJVLQNMCYWDP-GUBZILKMSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1[NH2+]CCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000309488216 347074271 /nfs/dbraw/zinc/07/42/71/347074271.db2.gz HJNJVLQNMCYWDP-UTLUCORTSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@]1(C(=O)NCC2C[NH2+]C2)CCCC[NH2+]1 ZINC000309488927 385618668 /nfs/dbraw/zinc/61/86/68/385618668.db2.gz HRHPCFUWRLVDKI-LLVKDONJSA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@@]1(C(=O)NCC2C[NH2+]C2)CCCC[NH2+]1 ZINC000309488930 385619596 /nfs/dbraw/zinc/61/95/96/385619596.db2.gz HRHPCFUWRLVDKI-NSHDSACASA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000309496474 487887568 /nfs/dbraw/zinc/88/75/68/487887568.db2.gz KGZGJVMTXZAJLY-PSASIEDQSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000309497754 487889150 /nfs/dbraw/zinc/88/91/50/487889150.db2.gz UFZVFWIOJOTGOU-GUBZILKMSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000309497759 487889370 /nfs/dbraw/zinc/88/93/70/487889370.db2.gz UFZVFWIOJOTGOU-LPEHRKFASA-N 2 0 211.309 -0.066 10 0 BBAERP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000309504513 411156071 /nfs/dbraw/zinc/15/60/71/411156071.db2.gz VOPXLWIYYLOPMD-DTWKUNHWSA-N 2 0 215.297 -0.700 10 0 BBAERP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000309504514 411156128 /nfs/dbraw/zinc/15/61/28/411156128.db2.gz VOPXLWIYYLOPMD-IUCAKERBSA-N 2 0 215.297 -0.700 10 0 BBAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309505961 411156173 /nfs/dbraw/zinc/15/61/73/411156173.db2.gz NDXMZMZZWXUOBP-AEJSXWLSSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309505962 411156295 /nfs/dbraw/zinc/15/62/95/411156295.db2.gz NDXMZMZZWXUOBP-GUBZILKMSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309505963 411156155 /nfs/dbraw/zinc/15/61/55/411156155.db2.gz NDXMZMZZWXUOBP-IVZWLZJFSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309505965 411156330 /nfs/dbraw/zinc/15/63/30/411156330.db2.gz NDXMZMZZWXUOBP-LPEHRKFASA-N 2 0 211.309 -0.290 10 0 BBAERP CSCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000309506590 350679184 /nfs/dbraw/zinc/67/91/84/350679184.db2.gz WABNFHSASBCATC-DTWKUNHWSA-N 2 0 231.365 -0.080 10 0 BBAERP CSCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000309506591 350679058 /nfs/dbraw/zinc/67/90/58/350679058.db2.gz WABNFHSASBCATC-IUCAKERBSA-N 2 0 231.365 -0.080 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000309507254 350679026 /nfs/dbraw/zinc/67/90/26/350679026.db2.gz NSKVIGGUTIADTQ-KXUCPTDWSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309507256 387811805 /nfs/dbraw/zinc/81/18/05/387811805.db2.gz NSKVIGGUTIADTQ-OPRDCNLKSA-N 2 0 211.309 -0.290 10 0 BBAERP CC[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309507604 633181872 /nfs/dbraw/zinc/18/18/72/633181872.db2.gz NTTYYAXFHHHGJS-ULKQDVFKSA-N 2 0 211.309 -0.005 10 0 BBAERP CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309510507 411155489 /nfs/dbraw/zinc/15/54/89/411155489.db2.gz PDCNCCADEMVNAV-BDAKNGLRSA-N 2 0 211.309 -0.290 10 0 BBAERP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309510508 411155444 /nfs/dbraw/zinc/15/54/44/411155444.db2.gz PDCNCCADEMVNAV-DTWKUNHWSA-N 2 0 211.309 -0.290 10 0 BBAERP CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309510509 411154659 /nfs/dbraw/zinc/15/46/59/411154659.db2.gz PDCNCCADEMVNAV-IUCAKERBSA-N 2 0 211.309 -0.290 10 0 BBAERP CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309510510 411154746 /nfs/dbraw/zinc/15/47/46/411154746.db2.gz PDCNCCADEMVNAV-RKDXNWHRSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309510964 350685475 /nfs/dbraw/zinc/68/54/75/350685475.db2.gz XFXQCFJVEDYLQV-QNSHHTMESA-N 2 0 211.309 -0.305 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309510965 350685478 /nfs/dbraw/zinc/68/54/78/350685478.db2.gz XFXQCFJVEDYLQV-SZEHBUNVSA-N 2 0 211.309 -0.305 10 0 BBAERP CN1CCO[C@@H]2CN(CC(C)(C)[NH3+])C[C@@H]21 ZINC000309511839 387815382 /nfs/dbraw/zinc/81/53/82/387815382.db2.gz XOCMWIVSEHRINN-VHSXEESVSA-N 2 0 213.325 -0.262 10 0 BBAERP C[C@@H]([NH3+])CCNC(=O)COC1(C)C[NH2+]C1 ZINC000309512598 411158761 /nfs/dbraw/zinc/15/87/61/411158761.db2.gz XVTNCFPGKKFMIY-MRVPVSSYSA-N 2 0 215.297 -0.782 10 0 BBAERP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]([NH3+])COC ZINC000309512963 411158805 /nfs/dbraw/zinc/15/88/05/411158805.db2.gz XWCORYKPNRTGRY-DTWKUNHWSA-N 2 0 215.297 -0.830 10 0 BBAERP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]([NH3+])COC ZINC000309512966 411158746 /nfs/dbraw/zinc/15/87/46/411158746.db2.gz XWCORYKPNRTGRY-RKDXNWHRSA-N 2 0 215.297 -0.830 10 0 BBAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)COCC[NH3+] ZINC000309513904 411157751 /nfs/dbraw/zinc/15/77/51/411157751.db2.gz YBQBMRQSQMVVNZ-BDAKNGLRSA-N 2 0 215.297 -0.782 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)COCC[NH3+] ZINC000309513905 411157834 /nfs/dbraw/zinc/15/78/34/411157834.db2.gz YBQBMRQSQMVVNZ-DTWKUNHWSA-N 2 0 215.297 -0.782 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)COCC[NH3+] ZINC000309513908 411157871 /nfs/dbraw/zinc/15/78/71/411157871.db2.gz YBQBMRQSQMVVNZ-RKDXNWHRSA-N 2 0 215.297 -0.782 10 0 BBAERP CC1(NC(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000309514492 323421298 /nfs/dbraw/zinc/42/12/98/323421298.db2.gz QXRAVHCLUMZVAR-SECBINFHSA-N 2 0 211.309 -0.146 10 0 BBAERP CC1(NC(=O)[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC000309514494 387814914 /nfs/dbraw/zinc/81/49/14/387814914.db2.gz QXRAVHCLUMZVAR-VIFPVBQESA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000309516104 350694877 /nfs/dbraw/zinc/69/48/77/350694877.db2.gz ROGVGOUVUCAYCT-AEJSXWLSSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000309516105 347091525 /nfs/dbraw/zinc/09/15/25/347091525.db2.gz ROGVGOUVUCAYCT-BBBLOLIVSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000309516106 350694948 /nfs/dbraw/zinc/69/49/48/350694948.db2.gz ROGVGOUVUCAYCT-GUBZILKMSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000309516107 350694818 /nfs/dbraw/zinc/69/48/18/350694818.db2.gz ROGVGOUVUCAYCT-UTLUCORTSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309516383 350694942 /nfs/dbraw/zinc/69/49/42/350694942.db2.gz RSKKHJAQXRFTSH-AEJSXWLSSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309516386 350694630 /nfs/dbraw/zinc/69/46/30/350694630.db2.gz RSKKHJAQXRFTSH-BBBLOLIVSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309516389 350695048 /nfs/dbraw/zinc/69/50/48/350695048.db2.gz RSKKHJAQXRFTSH-GUBZILKMSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309516391 350695037 /nfs/dbraw/zinc/69/50/37/350695037.db2.gz RSKKHJAQXRFTSH-IVZWLZJFSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309516394 350695779 /nfs/dbraw/zinc/69/57/79/350695779.db2.gz RSKKHJAQXRFTSH-KXUCPTDWSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309516397 350695319 /nfs/dbraw/zinc/69/53/19/350695319.db2.gz RSKKHJAQXRFTSH-LPEHRKFASA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309516400 350695644 /nfs/dbraw/zinc/69/56/44/350695644.db2.gz RSKKHJAQXRFTSH-OPRDCNLKSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CC[NH2+]1 ZINC000309516403 350695530 /nfs/dbraw/zinc/69/55/30/350695530.db2.gz RSKKHJAQXRFTSH-UTLUCORTSA-N 2 0 211.309 -0.147 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000309516777 187308944 /nfs/dbraw/zinc/30/89/44/187308944.db2.gz RUOZRQPEHBOVJT-NXEZZACHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000309516779 182242508 /nfs/dbraw/zinc/24/25/08/182242508.db2.gz RUOZRQPEHBOVJT-UWVGGRQHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 ZINC000309516780 182243050 /nfs/dbraw/zinc/24/30/50/182243050.db2.gz RUOZRQPEHBOVJT-VHSXEESVSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 ZINC000309516781 385649517 /nfs/dbraw/zinc/64/95/17/385649517.db2.gz RUOZRQPEHBOVJT-ZJUUUORDSA-N 2 0 211.309 -0.146 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000309517730 411158430 /nfs/dbraw/zinc/15/84/30/411158430.db2.gz SEUDDZPNHWYAHB-GARJFASQSA-N 2 0 213.325 -0.844 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000309517731 411158529 /nfs/dbraw/zinc/15/85/29/411158529.db2.gz SEUDDZPNHWYAHB-GMTAPVOTSA-N 2 0 213.325 -0.844 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000309517732 411158425 /nfs/dbraw/zinc/15/84/25/411158425.db2.gz SEUDDZPNHWYAHB-HBNTYKKESA-N 2 0 213.325 -0.844 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000309517733 411158810 /nfs/dbraw/zinc/15/88/10/411158810.db2.gz SEUDDZPNHWYAHB-OUAUKWLOSA-N 2 0 213.325 -0.844 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000309517756 633184327 /nfs/dbraw/zinc/18/43/27/633184327.db2.gz SFKHDCSBALDMSR-PSASIEDQSA-N 2 0 215.272 -0.586 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000309517757 632434615 /nfs/dbraw/zinc/43/46/15/632434615.db2.gz SFKHDCSBALDMSR-SCZZXKLOSA-N 2 0 215.272 -0.586 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)[C@@]1(F)CC[NH2+]C1 ZINC000309517758 632435718 /nfs/dbraw/zinc/43/57/18/632435718.db2.gz SFKHDCSBALDMSR-WCBMZHEXSA-N 2 0 215.272 -0.586 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)[C@]1(F)CC[NH2+]C1 ZINC000309517759 632434961 /nfs/dbraw/zinc/43/49/61/632434961.db2.gz SFKHDCSBALDMSR-WPRPVWTQSA-N 2 0 215.272 -0.586 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309520646 411159838 /nfs/dbraw/zinc/15/98/38/411159838.db2.gz ZZDGIBQYCRPJES-DTWKUNHWSA-N 2 0 215.297 -0.782 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309520650 411159396 /nfs/dbraw/zinc/15/93/96/411159396.db2.gz ZZDGIBQYCRPJES-RKDXNWHRSA-N 2 0 215.297 -0.782 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000309521605 350696588 /nfs/dbraw/zinc/69/65/88/350696588.db2.gz UEIWQQFATXOTFC-BBBLOLIVSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000309521606 350696590 /nfs/dbraw/zinc/69/65/90/350696590.db2.gz UEIWQQFATXOTFC-KXUCPTDWSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000309521608 350696703 /nfs/dbraw/zinc/69/67/03/350696703.db2.gz UEIWQQFATXOTFC-OPRDCNLKSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000309521610 350696515 /nfs/dbraw/zinc/69/65/15/350696515.db2.gz UEIWQQFATXOTFC-UTLUCORTSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000309524408 411162975 /nfs/dbraw/zinc/16/29/75/411162975.db2.gz UPICGLIMWZEAAV-KXUCPTDWSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000309524412 411162979 /nfs/dbraw/zinc/16/29/79/411162979.db2.gz UPICGLIMWZEAAV-UTLUCORTSA-N 2 0 211.309 -0.147 10 0 BBAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](CO)C2)C1 ZINC000309527127 633189285 /nfs/dbraw/zinc/18/92/85/633189285.db2.gz CBQQDXOQJZGCMN-AXFHLTTASA-N 2 0 214.309 -0.193 10 0 BBAERP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000309527297 350701639 /nfs/dbraw/zinc/70/16/39/350701639.db2.gz VDALIECIKWMGAS-OPRDCNLKSA-N 2 0 211.309 -0.338 10 0 BBAERP O=C([C@@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309528089 326157635 /nfs/dbraw/zinc/15/76/35/326157635.db2.gz BIPHIGAMUGVTPE-BBBLOLIVSA-N 2 0 209.293 -0.726 10 0 BBAERP O=C([C@H]1CC[NH2+]C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309528090 398293786 /nfs/dbraw/zinc/29/37/86/398293786.db2.gz BIPHIGAMUGVTPE-LPEHRKFASA-N 2 0 209.293 -0.726 10 0 BBAERP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000309528875 411162855 /nfs/dbraw/zinc/16/28/55/411162855.db2.gz VNZCCJGRAVPJTO-SECBINFHSA-N 2 0 211.309 -0.194 10 0 BBAERP [NH3+][C@H]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000309529287 411162635 /nfs/dbraw/zinc/16/26/35/411162635.db2.gz CMUOOMKIVPFYSP-GUBZILKMSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@H]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000309529290 411162718 /nfs/dbraw/zinc/16/27/18/411162718.db2.gz CMUOOMKIVPFYSP-LPEHRKFASA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000309530146 411162956 /nfs/dbraw/zinc/16/29/56/411162956.db2.gz CRGANXUPDVTMSG-AXTSPUMRSA-N 2 0 209.293 -0.599 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000309531314 487716438 /nfs/dbraw/zinc/71/64/38/487716438.db2.gz WAZCADOVYCMCCR-GHMZBOCLSA-N 3 0 213.325 -0.844 10 0 BBAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000309531316 411165448 /nfs/dbraw/zinc/16/54/48/411165448.db2.gz WAZCADOVYCMCCR-MNOVXSKESA-N 3 0 213.325 -0.844 10 0 BBAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000309531318 411165521 /nfs/dbraw/zinc/16/55/21/411165521.db2.gz WAZCADOVYCMCCR-QWRGUYRKSA-N 3 0 213.325 -0.844 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC1CC[NH2+]CC1 ZINC000309531320 411165118 /nfs/dbraw/zinc/16/51/18/411165118.db2.gz WAZCADOVYCMCCR-WDEREUQCSA-N 3 0 213.325 -0.844 10 0 BBAERP [NH3+][C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000309535403 350707790 /nfs/dbraw/zinc/70/77/90/350707790.db2.gz FAPCDPYJXJITPJ-AEJSXWLSSA-N 2 0 211.309 -0.033 10 0 BBAERP [NH3+][C@@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000309535404 350707878 /nfs/dbraw/zinc/70/78/78/350707878.db2.gz FAPCDPYJXJITPJ-BBBLOLIVSA-N 2 0 211.309 -0.033 10 0 BBAERP [NH3+][C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000309535405 350707754 /nfs/dbraw/zinc/70/77/54/350707754.db2.gz FAPCDPYJXJITPJ-IVZWLZJFSA-N 2 0 211.309 -0.033 10 0 BBAERP [NH3+][C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000309535406 350707651 /nfs/dbraw/zinc/70/76/51/350707651.db2.gz FAPCDPYJXJITPJ-OPRDCNLKSA-N 2 0 211.309 -0.033 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309538428 411166229 /nfs/dbraw/zinc/16/62/29/411166229.db2.gz FTCCHOCXKHPMQQ-KXUCPTDWSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000309538429 411166189 /nfs/dbraw/zinc/16/61/89/411166189.db2.gz FTCCHOCXKHPMQQ-OPRDCNLKSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]CCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309541482 370224941 /nfs/dbraw/zinc/22/49/41/370224941.db2.gz GLRIPWWMDBHJCQ-AEJSXWLSSA-N 2 0 211.309 -0.079 10 0 BBAERP [NH3+]CCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309541484 370225226 /nfs/dbraw/zinc/22/52/26/370225226.db2.gz GLRIPWWMDBHJCQ-GUBZILKMSA-N 2 0 211.309 -0.079 10 0 BBAERP [NH3+]CCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309541486 370224905 /nfs/dbraw/zinc/22/49/05/370224905.db2.gz GLRIPWWMDBHJCQ-IVZWLZJFSA-N 2 0 211.309 -0.079 10 0 BBAERP [NH3+]CCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309541487 350711645 /nfs/dbraw/zinc/71/16/45/350711645.db2.gz GLRIPWWMDBHJCQ-LPEHRKFASA-N 2 0 211.309 -0.079 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000309545297 370226291 /nfs/dbraw/zinc/22/62/91/370226291.db2.gz ZPPSIHGDAFMGJO-KXUCPTDWSA-N 2 0 211.309 -0.338 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000309545298 370226139 /nfs/dbraw/zinc/22/61/39/370226139.db2.gz ZPPSIHGDAFMGJO-OPRDCNLKSA-N 2 0 211.309 -0.338 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000309565162 411175359 /nfs/dbraw/zinc/17/53/59/411175359.db2.gz QHXFVMFPPMIILV-PSASIEDQSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000309565163 411175109 /nfs/dbraw/zinc/17/51/09/411175109.db2.gz QHXFVMFPPMIILV-SCZZXKLOSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000309565165 411175271 /nfs/dbraw/zinc/17/52/71/411175271.db2.gz QHXFVMFPPMIILV-WCBMZHEXSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000309565168 411175488 /nfs/dbraw/zinc/17/54/88/411175488.db2.gz QHXFVMFPPMIILV-WPRPVWTQSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000309586593 326162175 /nfs/dbraw/zinc/16/21/75/326162175.db2.gz VWSDKRNYCTWEMF-AEJSXWLSSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000309586594 326162047 /nfs/dbraw/zinc/16/20/47/326162047.db2.gz VWSDKRNYCTWEMF-BBBLOLIVSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C1(CC(=O)NC[C@@H]2CC[NH2+]C2)CCC1 ZINC000309588029 490358385 /nfs/dbraw/zinc/35/83/85/490358385.db2.gz XBRIIVSXJZNKLZ-SECBINFHSA-N 2 0 211.309 -0.016 10 0 BBAERP [NH3+]C1(CC(=O)NC[C@H]2CC[NH2+]C2)CCC1 ZINC000309588033 490358133 /nfs/dbraw/zinc/35/81/33/490358133.db2.gz XBRIIVSXJZNKLZ-VIFPVBQESA-N 2 0 211.309 -0.016 10 0 BBAERP [NH3+]CCCNC(=O)[C@H]1CCNCC1(F)F ZINC000309594013 342729212 /nfs/dbraw/zinc/72/92/12/342729212.db2.gz HUGFCMNZJVWKCD-SSDOTTSWSA-N 2 0 221.251 -0.304 10 0 BBAERP [NH3+]CCCNC(=O)[C@@H]1CCNCC1(F)F ZINC000309594015 342729285 /nfs/dbraw/zinc/72/92/85/342729285.db2.gz HUGFCMNZJVWKCD-ZETCQYMHSA-N 2 0 221.251 -0.304 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000309605743 490359777 /nfs/dbraw/zinc/35/97/77/490359777.db2.gz XVIWSICZJNDXOU-BDAKNGLRSA-N 2 0 215.297 -0.911 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309605745 490360018 /nfs/dbraw/zinc/36/00/18/490360018.db2.gz XVIWSICZJNDXOU-DTWKUNHWSA-N 2 0 215.297 -0.911 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000309608534 410969282 /nfs/dbraw/zinc/96/92/82/410969282.db2.gz YPUTWOXJBNKDRK-IUCAKERBSA-N 2 0 231.365 -0.194 10 0 BBAERP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+]C1 ZINC000309617005 487990538 /nfs/dbraw/zinc/99/05/38/487990538.db2.gz FLOAIOKWJCLZGD-NXEZZACHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+]C1 ZINC000309617006 487990481 /nfs/dbraw/zinc/99/04/81/487990481.db2.gz FLOAIOKWJCLZGD-UWVGGRQHSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+]C1 ZINC000309617007 487990319 /nfs/dbraw/zinc/99/03/19/487990319.db2.gz FLOAIOKWJCLZGD-VHSXEESVSA-N 2 0 211.309 -0.146 10 0 BBAERP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+]C1 ZINC000309617008 487990444 /nfs/dbraw/zinc/99/04/44/487990444.db2.gz FLOAIOKWJCLZGD-ZJUUUORDSA-N 2 0 211.309 -0.146 10 0 BBAERP C[NH2+]CCCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000309623059 342759715 /nfs/dbraw/zinc/75/97/15/342759715.db2.gz HZNLJYSOTBAPLA-RKDXNWHRSA-N 2 0 215.297 -0.911 10 0 BBAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000309744625 176273581 /nfs/dbraw/zinc/27/35/81/176273581.db2.gz FEGSGAXACYMZBA-WOPDTQHZSA-N 2 0 227.352 -0.143 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000309754007 347154364 /nfs/dbraw/zinc/15/43/64/347154364.db2.gz HGPIWHJRPZSMLG-CIUDSAMLSA-N 2 0 215.297 -0.844 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000309754008 326166882 /nfs/dbraw/zinc/16/68/82/326166882.db2.gz HGPIWHJRPZSMLG-HLTSFMKQSA-N 2 0 215.297 -0.844 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000309754009 326166869 /nfs/dbraw/zinc/16/68/69/326166869.db2.gz HGPIWHJRPZSMLG-VGMNWLOBSA-N 2 0 215.297 -0.844 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309754010 326167126 /nfs/dbraw/zinc/16/71/26/326167126.db2.gz HGPIWHJRPZSMLG-YIZRAAEISA-N 2 0 215.297 -0.844 10 0 BBAERP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309762992 326167698 /nfs/dbraw/zinc/16/76/98/326167698.db2.gz JCIZTVLHCBJBDB-KATARQTJSA-N 2 0 211.309 -0.223 10 0 BBAERP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309762993 326167260 /nfs/dbraw/zinc/16/72/60/326167260.db2.gz JCIZTVLHCBJBDB-RGOKHQFPSA-N 2 0 211.309 -0.223 10 0 BBAERP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309762994 326167700 /nfs/dbraw/zinc/16/77/00/326167700.db2.gz JCIZTVLHCBJBDB-UTINFBMNSA-N 2 0 211.309 -0.223 10 0 BBAERP C[C@H](C[NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309762995 326167673 /nfs/dbraw/zinc/16/76/73/326167673.db2.gz JCIZTVLHCBJBDB-XFWSIPNHSA-N 2 0 211.309 -0.223 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309764009 386031277 /nfs/dbraw/zinc/03/12/77/386031277.db2.gz JGBZLRALWBKZPV-AATLWQCWSA-N 2 0 211.309 -0.081 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309764010 386031238 /nfs/dbraw/zinc/03/12/38/386031238.db2.gz JGBZLRALWBKZPV-AXTSPUMRSA-N 2 0 211.309 -0.081 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309764012 386030762 /nfs/dbraw/zinc/03/07/62/386030762.db2.gz JGBZLRALWBKZPV-QEYWKRMJSA-N 2 0 211.309 -0.081 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309764014 386031310 /nfs/dbraw/zinc/03/13/10/386031310.db2.gz JGBZLRALWBKZPV-XKNYDFJKSA-N 2 0 211.309 -0.081 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000309777287 488189379 /nfs/dbraw/zinc/18/93/79/488189379.db2.gz LZNBCFGOELWUHS-MRVPVSSYSA-N 2 0 215.297 -0.830 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000309785471 370260426 /nfs/dbraw/zinc/26/04/26/370260426.db2.gz NVZNWJHHWJKFOS-CIUDSAMLSA-N 2 0 215.297 -0.831 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000309785473 370260487 /nfs/dbraw/zinc/26/04/87/370260487.db2.gz NVZNWJHHWJKFOS-HLTSFMKQSA-N 2 0 215.297 -0.831 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000309785474 370260833 /nfs/dbraw/zinc/26/08/33/370260833.db2.gz NVZNWJHHWJKFOS-VGMNWLOBSA-N 2 0 215.297 -0.831 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000309785476 370260343 /nfs/dbraw/zinc/26/03/43/370260343.db2.gz NVZNWJHHWJKFOS-YIZRAAEISA-N 2 0 215.297 -0.831 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000309790961 259377552 /nfs/dbraw/zinc/37/75/52/259377552.db2.gz PFIMAMUWZQJCNG-BDAKNGLRSA-N 2 0 215.297 -0.700 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000309790962 259377503 /nfs/dbraw/zinc/37/75/03/259377503.db2.gz PFIMAMUWZQJCNG-DTWKUNHWSA-N 2 0 215.297 -0.700 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000309790965 259377429 /nfs/dbraw/zinc/37/74/29/259377429.db2.gz PFIMAMUWZQJCNG-RKDXNWHRSA-N 2 0 215.297 -0.700 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000309821314 347175935 /nfs/dbraw/zinc/17/59/35/347175935.db2.gz FPHHOMSDVBYSJD-OPRDCNLKSA-N 2 0 211.309 -0.338 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000309832316 347179210 /nfs/dbraw/zinc/17/92/10/347179210.db2.gz YYPXVGZAZOFTHA-CIUDSAMLSA-N 2 0 215.297 -0.831 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000309832318 370266250 /nfs/dbraw/zinc/26/62/50/370266250.db2.gz YYPXVGZAZOFTHA-HLTSFMKQSA-N 2 0 215.297 -0.831 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000309832319 370266301 /nfs/dbraw/zinc/26/63/01/370266301.db2.gz YYPXVGZAZOFTHA-VGMNWLOBSA-N 2 0 215.297 -0.831 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000309832320 370266180 /nfs/dbraw/zinc/26/61/80/370266180.db2.gz YYPXVGZAZOFTHA-YIZRAAEISA-N 2 0 215.297 -0.831 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000309842492 411276723 /nfs/dbraw/zinc/27/67/23/411276723.db2.gz QKXSNJOOLFWKLC-KXUCPTDWSA-N 2 0 211.309 -0.338 10 0 BBAERP C([C@H]1CC[NH2+]C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000309904260 411189342 /nfs/dbraw/zinc/18/93/42/411189342.db2.gz JHWZAKVAMZBMSS-GARJFASQSA-N 2 0 211.309 -0.732 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000310011506 370289004 /nfs/dbraw/zinc/28/90/04/370289004.db2.gz IRLONURKPKGGIT-KXUCPTDWSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000310011507 370288586 /nfs/dbraw/zinc/28/85/86/370288586.db2.gz IRLONURKPKGGIT-OPRDCNLKSA-N 2 0 211.309 -0.290 10 0 BBAERP CC1(C)C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000310037897 411195383 /nfs/dbraw/zinc/19/53/83/411195383.db2.gz VNZCCJGRAVPJTO-VIFPVBQESA-N 2 0 211.309 -0.194 10 0 BBAERP CC[N@H+](C)C[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000310242494 386168619 /nfs/dbraw/zinc/16/86/19/386168619.db2.gz IZRJLDPSCPKWPQ-SECBINFHSA-N 2 0 241.339 -0.216 10 0 BBAERP CC[N@H+](C)C[C@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000310242495 398130625 /nfs/dbraw/zinc/13/06/25/398130625.db2.gz IZRJLDPSCPKWPQ-VIFPVBQESA-N 2 0 241.339 -0.216 10 0 BBAERP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000310400425 635893179 /nfs/dbraw/zinc/89/31/79/635893179.db2.gz MVZIDOSXWLWMMA-SDDRHHMPSA-N 2 0 245.367 -0.796 10 0 BBAERP COCC[N@H+](C)C[C@H](O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000310400426 634140340 /nfs/dbraw/zinc/14/03/40/634140340.db2.gz MVZIDOSXWLWMMA-SRVKXCTJSA-N 2 0 245.367 -0.796 10 0 BBAERP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000310400428 634139941 /nfs/dbraw/zinc/13/99/41/634139941.db2.gz MVZIDOSXWLWMMA-WOPDTQHZSA-N 2 0 245.367 -0.796 10 0 BBAERP OC[C@]1(O)CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000314125199 326291799 /nfs/dbraw/zinc/29/17/99/326291799.db2.gz GMZWDBZFAJZPCK-NEPJUHHUSA-N 2 0 228.336 -0.195 10 0 BBAERP OC[C@@]1(O)CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000314125201 326291644 /nfs/dbraw/zinc/29/16/44/326291644.db2.gz GMZWDBZFAJZPCK-NWDGAFQWSA-N 2 0 228.336 -0.195 10 0 BBAERP OC[C@]1(O)CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000314125203 326291687 /nfs/dbraw/zinc/29/16/87/326291687.db2.gz GMZWDBZFAJZPCK-RYUDHWBXSA-N 2 0 228.336 -0.195 10 0 BBAERP OC[C@@]1(O)CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000314125205 326291803 /nfs/dbraw/zinc/29/18/03/326291803.db2.gz GMZWDBZFAJZPCK-VXGBXAGGSA-N 2 0 228.336 -0.195 10 0 BBAERP CC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]C1 ZINC000335046943 384779708 /nfs/dbraw/zinc/77/97/08/384779708.db2.gz QPZPDKJVIJEWHT-JTQLQIEISA-N 2 0 223.320 -0.098 10 0 BBAERP CC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]C1 ZINC000335046945 384778670 /nfs/dbraw/zinc/77/86/70/384778670.db2.gz QPZPDKJVIJEWHT-SNVBAGLBSA-N 2 0 223.320 -0.098 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335051778 384782243 /nfs/dbraw/zinc/78/22/43/384782243.db2.gz QHSIMSNOKKDBDV-SECBINFHSA-N 2 0 211.309 -0.242 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335051781 384784376 /nfs/dbraw/zinc/78/43/76/384784376.db2.gz QHSIMSNOKKDBDV-VIFPVBQESA-N 2 0 211.309 -0.242 10 0 BBAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000335140470 345140147 /nfs/dbraw/zinc/14/01/47/345140147.db2.gz NZAWQUCRCMKHLL-NXEZZACHSA-N 2 0 211.309 -0.051 10 0 BBAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000335140471 345140117 /nfs/dbraw/zinc/14/01/17/345140117.db2.gz NZAWQUCRCMKHLL-VHSXEESVSA-N 2 0 211.309 -0.051 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000335388956 176330160 /nfs/dbraw/zinc/33/01/60/176330160.db2.gz GQPPJIASNMEPNM-RKDXNWHRSA-N 2 0 211.309 -0.161 10 0 BBAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335413515 386578756 /nfs/dbraw/zinc/57/87/56/386578756.db2.gz OWXDUNHREYRJLS-BDAKNGLRSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335413516 386578723 /nfs/dbraw/zinc/57/87/23/386578723.db2.gz OWXDUNHREYRJLS-DTWKUNHWSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335413517 386577002 /nfs/dbraw/zinc/57/70/02/386577002.db2.gz OWXDUNHREYRJLS-RKDXNWHRSA-N 2 0 211.309 -0.147 10 0 BBAERP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335465015 386552553 /nfs/dbraw/zinc/55/25/53/386552553.db2.gz QXUMDVJZAHGXCX-GXSJLCMTSA-N 2 0 241.310 -0.007 10 0 BBAERP [NH3+]C1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CCC1 ZINC000335818429 181331020 /nfs/dbraw/zinc/33/10/20/181331020.db2.gz LSGNAZZUCJEALL-JGVFFNPUSA-N 2 0 215.272 -0.316 10 0 BBAERP O=C([C@H]1CC[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336174302 388456265 /nfs/dbraw/zinc/45/62/65/388456265.db2.gz AWOFYYZZIASWFZ-NXEZZACHSA-N 2 0 209.293 -0.345 10 0 BBAERP O=C([C@H]1CC[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336174303 388456800 /nfs/dbraw/zinc/45/68/00/388456800.db2.gz AWOFYYZZIASWFZ-VHSXEESVSA-N 2 0 209.293 -0.345 10 0 BBAERP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]C2)CCC1 ZINC000336518429 347074542 /nfs/dbraw/zinc/07/45/42/347074542.db2.gz WGAFBJKZEMRAMD-VIFPVBQESA-N 2 0 211.309 -0.016 10 0 BBAERP C[C@H](CC(N)=O)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336714001 398241354 /nfs/dbraw/zinc/24/13/54/398241354.db2.gz OXSPLJUZQWLEOL-GHMZBOCLSA-N 2 0 243.351 -0.313 10 0 BBAERP C[C@H](CC(N)=O)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336714002 398241408 /nfs/dbraw/zinc/24/14/08/398241408.db2.gz OXSPLJUZQWLEOL-MNOVXSKESA-N 2 0 243.351 -0.313 10 0 BBAERP C[C@@H](CC(N)=O)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336714003 398241296 /nfs/dbraw/zinc/24/12/96/398241296.db2.gz OXSPLJUZQWLEOL-QWRGUYRKSA-N 2 0 243.351 -0.313 10 0 BBAERP C[C@@H](CC(N)=O)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336714004 398241291 /nfs/dbraw/zinc/24/12/91/398241291.db2.gz OXSPLJUZQWLEOL-WDEREUQCSA-N 2 0 243.351 -0.313 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000362978168 388562888 /nfs/dbraw/zinc/56/28/88/388562888.db2.gz XWTFCVAAMPZQFW-NXEZZACHSA-N 2 0 209.297 -0.005 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000362978169 388562938 /nfs/dbraw/zinc/56/29/38/388562938.db2.gz XWTFCVAAMPZQFW-UWVGGRQHSA-N 2 0 209.297 -0.005 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000362978170 388563196 /nfs/dbraw/zinc/56/31/96/388563196.db2.gz XWTFCVAAMPZQFW-VHSXEESVSA-N 2 0 209.297 -0.005 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000362978171 388562739 /nfs/dbraw/zinc/56/27/39/388562739.db2.gz XWTFCVAAMPZQFW-ZJUUUORDSA-N 2 0 209.297 -0.005 10 0 BBAERP C[C@@H](CC[NH3+])NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000378664626 385457774 /nfs/dbraw/zinc/45/77/74/385457774.db2.gz FHPUINSZUYFBEY-BIIVOSGPSA-N 2 0 203.261 -0.460 10 0 BBAERP C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000378664627 385458444 /nfs/dbraw/zinc/45/84/44/385458444.db2.gz FHPUINSZUYFBEY-GJMOJQLCSA-N 2 0 203.261 -0.460 10 0 BBAERP CC[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378676798 712357011 /nfs/dbraw/zinc/35/70/11/712357011.db2.gz QDICQEXCTQEYFR-YUMQZZPRSA-N 2 0 203.261 -0.506 10 0 BBAERP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000378692034 712357317 /nfs/dbraw/zinc/35/73/17/712357317.db2.gz JGBZLRALWBKZPV-RGOKHQFPSA-N 2 0 211.309 -0.081 10 0 BBAERP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000378692035 712357842 /nfs/dbraw/zinc/35/78/42/712357842.db2.gz JGBZLRALWBKZPV-UTINFBMNSA-N 2 0 211.309 -0.081 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000378698087 388483403 /nfs/dbraw/zinc/48/34/03/388483403.db2.gz LZLJNKNBONUYSV-OPRDCNLKSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000378703260 388483843 /nfs/dbraw/zinc/48/38/43/388483843.db2.gz OLLBJPJPGCQFKC-PSASIEDQSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H](C[NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378704010 712393138 /nfs/dbraw/zinc/39/31/38/712393138.db2.gz LUZHPMAAOBWXPH-CSMHCCOUSA-N 2 0 203.261 -0.521 10 0 BBAERP C[C@@H](C[NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378704011 712358520 /nfs/dbraw/zinc/35/85/20/712358520.db2.gz LUZHPMAAOBWXPH-FXQIFTODSA-N 2 0 203.261 -0.521 10 0 BBAERP C[C@@H]([NH3+])CC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378712764 712359134 /nfs/dbraw/zinc/35/91/34/712359134.db2.gz VJRJZRCDKCQBRG-CSMHCCOUSA-N 2 0 203.261 -0.379 10 0 BBAERP C[C@H]([NH3+])CC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378712765 712358809 /nfs/dbraw/zinc/35/88/09/712358809.db2.gz VJRJZRCDKCQBRG-FXQIFTODSA-N 2 0 203.261 -0.379 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000378724724 388486901 /nfs/dbraw/zinc/48/69/01/388486901.db2.gz IBBFELVZITYDKU-KYXWUPHJSA-N 2 0 211.309 -0.210 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000378724725 346816266 /nfs/dbraw/zinc/81/62/66/346816266.db2.gz IBBFELVZITYDKU-RGOKHQFPSA-N 2 0 211.309 -0.210 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000378724726 388486521 /nfs/dbraw/zinc/48/65/21/388486521.db2.gz IBBFELVZITYDKU-UTINFBMNSA-N 2 0 211.309 -0.210 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000378724727 385477722 /nfs/dbraw/zinc/47/77/22/385477722.db2.gz IBBFELVZITYDKU-ZYUZMQFOSA-N 2 0 211.309 -0.210 10 0 BBAERP [NH3+]CCCC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378746611 712359163 /nfs/dbraw/zinc/35/91/63/712359163.db2.gz RSCBYOYXRWRFDR-YUMQZZPRSA-N 2 0 203.261 -0.377 10 0 BBAERP [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000378762592 712361394 /nfs/dbraw/zinc/36/13/94/712361394.db2.gz BMVZNRURGWFRHA-VGMNWLOBSA-N 2 0 215.272 -0.506 10 0 BBAERP CC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378772850 712360489 /nfs/dbraw/zinc/36/04/89/712360489.db2.gz GKOYLWGFUITBPG-FXQIFTODSA-N 2 0 203.261 -0.379 10 0 BBAERP C[NH+](C)[C@H]1CCCN([C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000378780328 538974037 /nfs/dbraw/zinc/97/40/37/538974037.db2.gz JERFEVLGCQKOKG-HBNTYKKESA-N 2 0 213.325 -0.655 10 0 BBAERP O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378786918 385505279 /nfs/dbraw/zinc/50/52/79/385505279.db2.gz LSHPMZQYDWDXSW-JLIMGVALSA-N 2 0 209.293 -0.538 10 0 BBAERP O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378786920 388504557 /nfs/dbraw/zinc/50/45/57/388504557.db2.gz LSHPMZQYDWDXSW-KYXWUPHJSA-N 2 0 209.293 -0.538 10 0 BBAERP C[C@@H](C[NH3+])CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000378792369 346834012 /nfs/dbraw/zinc/83/40/12/346834012.db2.gz OJHZZCFDGWTKJH-BIIVOSGPSA-N 2 0 203.261 -0.603 10 0 BBAERP C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000378792374 346834108 /nfs/dbraw/zinc/83/41/08/346834108.db2.gz OJHZZCFDGWTKJH-GJMOJQLCSA-N 2 0 203.261 -0.603 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000378806844 388507139 /nfs/dbraw/zinc/50/71/39/388507139.db2.gz XLBJIJBMRNIIJL-KXUCPTDWSA-N 2 0 211.309 -0.432 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000378806845 385517857 /nfs/dbraw/zinc/51/78/57/385517857.db2.gz XLBJIJBMRNIIJL-OPRDCNLKSA-N 2 0 211.309 -0.432 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000378813851 388510325 /nfs/dbraw/zinc/51/03/25/388510325.db2.gz ASWIKZYSBGPZEW-KXUCPTDWSA-N 2 0 211.309 -0.079 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000379430647 398091867 /nfs/dbraw/zinc/09/18/67/398091867.db2.gz DYSWHBPIXDBFDB-IWSPIJDZSA-N 2 0 215.297 -0.913 10 0 BBAERP CCN(C)C[C@H](O)C[NH2+]C(C)(C)CO ZINC000379538627 712387828 /nfs/dbraw/zinc/38/78/28/712387828.db2.gz NGSOHDFJLPEICT-SECBINFHSA-N 2 0 204.314 -0.341 10 0 BBAERP CCN(C)C[C@@H](O)C[NH2+]C(C)(C)CO ZINC000379538636 712387798 /nfs/dbraw/zinc/38/77/98/712387798.db2.gz NGSOHDFJLPEICT-VIFPVBQESA-N 2 0 204.314 -0.341 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCOC3=O)C[C@@H]12 ZINC000379840989 712616556 /nfs/dbraw/zinc/61/65/56/712616556.db2.gz GRTIJLQTYVNZDT-KYXWUPHJSA-N 2 0 210.277 -0.029 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCOC3=O)C[C@H]12 ZINC000379840995 712616531 /nfs/dbraw/zinc/61/65/31/712616531.db2.gz GRTIJLQTYVNZDT-RGOKHQFPSA-N 2 0 210.277 -0.029 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCOC3=O)C[C@H]12 ZINC000379840997 712616448 /nfs/dbraw/zinc/61/64/48/712616448.db2.gz GRTIJLQTYVNZDT-UTINFBMNSA-N 2 0 210.277 -0.029 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCOC3=O)C[C@@H]12 ZINC000379840999 712616511 /nfs/dbraw/zinc/61/65/11/712616511.db2.gz GRTIJLQTYVNZDT-ZYUZMQFOSA-N 2 0 210.277 -0.029 10 0 BBAERP CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000379876523 365335202 /nfs/dbraw/zinc/33/52/02/365335202.db2.gz TWFPVKOBGCMXIR-AEJSXWLSSA-N 2 0 211.309 -0.256 10 0 BBAERP CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000379876524 365334895 /nfs/dbraw/zinc/33/48/95/365334895.db2.gz TWFPVKOBGCMXIR-GUBZILKMSA-N 2 0 211.309 -0.256 10 0 BBAERP CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000379876525 365335167 /nfs/dbraw/zinc/33/51/67/365335167.db2.gz TWFPVKOBGCMXIR-IVZWLZJFSA-N 2 0 211.309 -0.256 10 0 BBAERP CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000379876526 365334739 /nfs/dbraw/zinc/33/47/39/365334739.db2.gz TWFPVKOBGCMXIR-LPEHRKFASA-N 2 0 211.309 -0.256 10 0 BBAERP COCCN(C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000380105949 365882316 /nfs/dbraw/zinc/88/23/16/365882316.db2.gz YMZVKJIQXUSOEF-IJLUTSLNSA-N 2 0 246.351 -0.308 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)C[C@H](C[NH3+])OC ZINC000380246842 398190863 /nfs/dbraw/zinc/19/08/63/398190863.db2.gz OKLWNPWQICONGQ-HTQZYQBOSA-N 2 0 203.286 -0.926 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)C[C@H](C[NH3+])OC ZINC000380246844 398190773 /nfs/dbraw/zinc/19/07/73/398190773.db2.gz OKLWNPWQICONGQ-JGVFFNPUSA-N 2 0 203.286 -0.926 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)C[C@@H](C[NH3+])OC ZINC000380246848 398190706 /nfs/dbraw/zinc/19/07/06/398190706.db2.gz OKLWNPWQICONGQ-SFYZADRCSA-N 2 0 203.286 -0.926 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)C[C@@H](C[NH3+])OC ZINC000380246851 398190678 /nfs/dbraw/zinc/19/06/78/398190678.db2.gz OKLWNPWQICONGQ-YUMQZZPRSA-N 2 0 203.286 -0.926 10 0 BBAERP [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000381022637 398219330 /nfs/dbraw/zinc/21/93/30/398219330.db2.gz AQLCJAHREPOTJN-AXTSPUMRSA-N 2 0 209.293 -0.599 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000381023241 398137123 /nfs/dbraw/zinc/13/71/23/398137123.db2.gz ASWIKZYSBGPZEW-GUBZILKMSA-N 2 0 211.309 -0.079 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000381023248 398219412 /nfs/dbraw/zinc/21/94/12/398219412.db2.gz ASWIKZYSBGPZEW-LPEHRKFASA-N 2 0 211.309 -0.079 10 0 BBAERP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@@H]1[NH3+] ZINC000381066881 710600879 /nfs/dbraw/zinc/60/08/79/710600879.db2.gz MZRAPTDWFZCZFW-UTUOFQBUSA-N 2 0 227.352 -0.278 10 0 BBAERP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1[NH3+] ZINC000381066882 710600863 /nfs/dbraw/zinc/60/08/63/710600863.db2.gz MZRAPTDWFZCZFW-WOPDTQHZSA-N 2 0 227.352 -0.278 10 0 BBAERP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000381115079 398221247 /nfs/dbraw/zinc/22/12/47/398221247.db2.gz GWJXOFMKDYEQOZ-BDAKNGLRSA-N 2 0 211.309 -0.066 10 0 BBAERP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000381115083 398221265 /nfs/dbraw/zinc/22/12/65/398221265.db2.gz GWJXOFMKDYEQOZ-DTWKUNHWSA-N 2 0 211.309 -0.066 10 0 BBAERP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000381115102 398221333 /nfs/dbraw/zinc/22/13/33/398221333.db2.gz GWJXOFMKDYEQOZ-IUCAKERBSA-N 2 0 211.309 -0.066 10 0 BBAERP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000381115108 487812944 /nfs/dbraw/zinc/81/29/44/487812944.db2.gz GWJXOFMKDYEQOZ-RKDXNWHRSA-N 2 0 211.309 -0.066 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000381238200 487502074 /nfs/dbraw/zinc/50/20/74/487502074.db2.gz MIVMNJPHYKFADP-UTLUCORTSA-N 2 0 211.309 -0.033 10 0 BBAERP [NH3+][C@H](CC(=O)NC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000381279816 710616328 /nfs/dbraw/zinc/61/63/28/710616328.db2.gz XVBHIJRURCYWFB-PSASIEDQSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+][C@@H](CC(=O)NC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000381279817 710616285 /nfs/dbraw/zinc/61/62/85/710616285.db2.gz XVBHIJRURCYWFB-SCZZXKLOSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+][C@H](CC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000381279818 710615582 /nfs/dbraw/zinc/61/55/82/710615582.db2.gz XVBHIJRURCYWFB-WCBMZHEXSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+][C@@H](CC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000381279819 710616319 /nfs/dbraw/zinc/61/63/19/710616319.db2.gz XVBHIJRURCYWFB-WPRPVWTQSA-N 2 0 211.309 -0.161 10 0 BBAERP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000381290969 367375798 /nfs/dbraw/zinc/37/57/98/367375798.db2.gz DBJSWANHTWFCTL-IVZWLZJFSA-N 2 0 211.309 -0.066 10 0 BBAERP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000381290979 367376277 /nfs/dbraw/zinc/37/62/77/367376277.db2.gz DBJSWANHTWFCTL-KXUCPTDWSA-N 2 0 211.309 -0.066 10 0 BBAERP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000381290984 367375726 /nfs/dbraw/zinc/37/57/26/367375726.db2.gz DBJSWANHTWFCTL-LPEHRKFASA-N 2 0 211.309 -0.066 10 0 BBAERP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000381290993 367376017 /nfs/dbraw/zinc/37/60/17/367376017.db2.gz DBJSWANHTWFCTL-OPRDCNLKSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000381292864 367376041 /nfs/dbraw/zinc/37/60/41/367376041.db2.gz DYXJTCMUMPQRKF-KXUCPTDWSA-N 2 0 211.309 -0.208 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000381292865 367375874 /nfs/dbraw/zinc/37/58/74/367375874.db2.gz DYXJTCMUMPQRKF-OPRDCNLKSA-N 2 0 211.309 -0.208 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000381327950 398251773 /nfs/dbraw/zinc/25/17/73/398251773.db2.gz RTCDKNZDBOFDPN-CIUDSAMLSA-N 2 0 215.297 -0.783 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000381327951 345332952 /nfs/dbraw/zinc/33/29/52/345332952.db2.gz RTCDKNZDBOFDPN-HRDYMLBCSA-N 2 0 215.297 -0.783 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000381327952 398251721 /nfs/dbraw/zinc/25/17/21/398251721.db2.gz RTCDKNZDBOFDPN-VGMNWLOBSA-N 2 0 215.297 -0.783 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000381327956 398251865 /nfs/dbraw/zinc/25/18/65/398251865.db2.gz RTCDKNZDBOFDPN-XHNCKOQMSA-N 2 0 215.297 -0.783 10 0 BBAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000381343504 367384139 /nfs/dbraw/zinc/38/41/39/367384139.db2.gz YCZKYJVKUQVVTM-HTQZYQBOSA-N 2 0 215.297 -0.783 10 0 BBAERP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000381346649 367384157 /nfs/dbraw/zinc/38/41/57/367384157.db2.gz ZGRNSJGBVBFHHA-DTWKUNHWSA-N 2 0 215.297 -0.830 10 0 BBAERP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000381346652 367384367 /nfs/dbraw/zinc/38/43/67/367384367.db2.gz ZGRNSJGBVBFHHA-RKDXNWHRSA-N 2 0 215.297 -0.830 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000381347838 367385913 /nfs/dbraw/zinc/38/59/13/367385913.db2.gz ZOEAVHSYVDYYTC-PSASIEDQSA-N 2 0 217.313 -0.550 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000381347839 367385495 /nfs/dbraw/zinc/38/54/95/367385495.db2.gz ZOEAVHSYVDYYTC-SCZZXKLOSA-N 2 0 217.313 -0.550 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000381354071 367386845 /nfs/dbraw/zinc/38/68/45/367386845.db2.gz CHCXFETXVGIXCX-CIUDSAMLSA-N 2 0 215.297 -0.844 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381354075 367386744 /nfs/dbraw/zinc/38/67/44/367386744.db2.gz CHCXFETXVGIXCX-HLTSFMKQSA-N 2 0 215.297 -0.844 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000381354084 367386885 /nfs/dbraw/zinc/38/68/85/367386885.db2.gz CHCXFETXVGIXCX-VGMNWLOBSA-N 2 0 215.297 -0.844 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000381354085 367387004 /nfs/dbraw/zinc/38/70/04/367387004.db2.gz CHCXFETXVGIXCX-YIZRAAEISA-N 2 0 215.297 -0.844 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000381402583 398255890 /nfs/dbraw/zinc/25/58/90/398255890.db2.gz ATKDTUWDKTXLHT-BDAKNGLRSA-N 2 0 215.297 -0.911 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000381402584 398255600 /nfs/dbraw/zinc/25/56/00/398255600.db2.gz ATKDTUWDKTXLHT-DTWKUNHWSA-N 2 0 215.297 -0.911 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000381402589 398255565 /nfs/dbraw/zinc/25/55/65/398255565.db2.gz ATKDTUWDKTXLHT-IUCAKERBSA-N 2 0 215.297 -0.911 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000381402596 398255805 /nfs/dbraw/zinc/25/58/05/398255805.db2.gz ATKDTUWDKTXLHT-RKDXNWHRSA-N 2 0 215.297 -0.911 10 0 BBAERP [NH3+]C1(C(=O)NC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000381408176 398256495 /nfs/dbraw/zinc/25/64/95/398256495.db2.gz RYJXNLALTSSRDE-SECBINFHSA-N 2 0 211.309 -0.016 10 0 BBAERP [NH3+]C1(C(=O)NC[C@H]2CC[NH2+]C2)CCCC1 ZINC000381408180 398256471 /nfs/dbraw/zinc/25/64/71/398256471.db2.gz RYJXNLALTSSRDE-VIFPVBQESA-N 2 0 211.309 -0.016 10 0 BBAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000381409873 344504044 /nfs/dbraw/zinc/50/40/44/344504044.db2.gz UEIWQQFATXOTFC-AEJSXWLSSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000381409874 345811080 /nfs/dbraw/zinc/81/10/80/345811080.db2.gz UEIWQQFATXOTFC-GUBZILKMSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000381409877 344503959 /nfs/dbraw/zinc/50/39/59/344503959.db2.gz UEIWQQFATXOTFC-IVZWLZJFSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000381409878 345809970 /nfs/dbraw/zinc/80/99/70/345809970.db2.gz UEIWQQFATXOTFC-LPEHRKFASA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000381430109 367402104 /nfs/dbraw/zinc/40/21/04/367402104.db2.gz WLKYZSDSGIOMFP-AEJSXWLSSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC[NH2+]1 ZINC000381430110 367401608 /nfs/dbraw/zinc/40/16/08/367401608.db2.gz WLKYZSDSGIOMFP-GUBZILKMSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000381430314 345867426 /nfs/dbraw/zinc/86/74/26/345867426.db2.gz BIHMIPVHXGRCQX-GXSJLCMTSA-N 2 0 211.309 -0.018 10 0 BBAERP C[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000381430317 345867759 /nfs/dbraw/zinc/86/77/59/345867759.db2.gz BIHMIPVHXGRCQX-MWLCHTKSSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]CCOCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000381459856 398344280 /nfs/dbraw/zinc/34/42/80/398344280.db2.gz JIGLLJNKWJMAGK-BDAKNGLRSA-N 2 0 215.297 -0.795 10 0 BBAERP [NH3+]CCOCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000381459864 398258727 /nfs/dbraw/zinc/25/87/27/398258727.db2.gz JIGLLJNKWJMAGK-DTWKUNHWSA-N 2 0 215.297 -0.795 10 0 BBAERP [NH3+]CCOCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000381459866 398258764 /nfs/dbraw/zinc/25/87/64/398258764.db2.gz JIGLLJNKWJMAGK-IUCAKERBSA-N 2 0 215.297 -0.795 10 0 BBAERP [NH3+]CCOCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000381459872 398258695 /nfs/dbraw/zinc/25/86/95/398258695.db2.gz JIGLLJNKWJMAGK-RKDXNWHRSA-N 2 0 215.297 -0.795 10 0 BBAERP O=C(C[NH2+]CC1CC1)NC[C@H]1CC[NH2+]C1 ZINC000381515219 398254318 /nfs/dbraw/zinc/25/43/18/398254318.db2.gz PTUPFJSEKWAANK-JTQLQIEISA-N 2 0 211.309 -0.288 10 0 BBAERP O=C(C[NH2+]CC1CC1)NC[C@@H]1CC[NH2+]C1 ZINC000381515223 398261326 /nfs/dbraw/zinc/26/13/26/398261326.db2.gz PTUPFJSEKWAANK-SNVBAGLBSA-N 2 0 211.309 -0.288 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000381537141 398262465 /nfs/dbraw/zinc/26/24/65/398262465.db2.gz HDQSYWLESWWZEI-GUBZILKMSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000381537144 398262644 /nfs/dbraw/zinc/26/26/44/398262644.db2.gz HDQSYWLESWWZEI-KXUCPTDWSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000381537148 398254378 /nfs/dbraw/zinc/25/43/78/398254378.db2.gz HDQSYWLESWWZEI-LPEHRKFASA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000381537153 398253904 /nfs/dbraw/zinc/25/39/04/398253904.db2.gz HDQSYWLESWWZEI-UTLUCORTSA-N 2 0 211.309 -0.161 10 0 BBAERP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000381540190 367427397 /nfs/dbraw/zinc/42/73/97/367427397.db2.gz HJNJVLQNMCYWDP-IVZWLZJFSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000381540191 367427873 /nfs/dbraw/zinc/42/78/73/367427873.db2.gz HJNJVLQNMCYWDP-KXUCPTDWSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000381540192 367427943 /nfs/dbraw/zinc/42/79/43/367427943.db2.gz HJNJVLQNMCYWDP-LPEHRKFASA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000381540194 367427151 /nfs/dbraw/zinc/42/71/51/367427151.db2.gz HJNJVLQNMCYWDP-OPRDCNLKSA-N 2 0 211.309 -0.195 10 0 BBAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000381567759 487512834 /nfs/dbraw/zinc/51/28/34/487512834.db2.gz UELTXSCCEFRQQS-KXUCPTDWSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000381567760 487512524 /nfs/dbraw/zinc/51/25/24/487512524.db2.gz UELTXSCCEFRQQS-LPEHRKFASA-N 2 0 211.309 -0.161 10 0 BBAERP CN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000381578622 367432598 /nfs/dbraw/zinc/43/25/98/367432598.db2.gz ZKDPGJXTBHHDTF-MMWGEVLESA-N 2 0 223.320 -0.114 10 0 BBAERP CN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000381578625 367432012 /nfs/dbraw/zinc/43/20/12/367432012.db2.gz ZKDPGJXTBHHDTF-NAKRPEOUSA-N 2 0 223.320 -0.114 10 0 BBAERP CN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000381578628 367432389 /nfs/dbraw/zinc/43/23/89/367432389.db2.gz ZKDPGJXTBHHDTF-VLEAKVRGSA-N 2 0 223.320 -0.114 10 0 BBAERP CN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000381578629 346382881 /nfs/dbraw/zinc/38/28/81/346382881.db2.gz ZKDPGJXTBHHDTF-ZDCRXTMVSA-N 2 0 223.320 -0.114 10 0 BBAERP CN(C(=O)[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000381592302 346396504 /nfs/dbraw/zinc/39/65/04/346396504.db2.gz JZGUHYUYPIAJES-SECBINFHSA-N 2 0 211.309 -0.194 10 0 BBAERP CN(C(=O)[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC000381592303 346396432 /nfs/dbraw/zinc/39/64/32/346396432.db2.gz JZGUHYUYPIAJES-VIFPVBQESA-N 2 0 211.309 -0.194 10 0 BBAERP [NH3+]C1CCC(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000381593789 398265229 /nfs/dbraw/zinc/26/52/29/398265229.db2.gz DWJDCPTVXCFKKD-RTBKNWGFSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+]C1CCC(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000381593792 398265506 /nfs/dbraw/zinc/26/55/06/398265506.db2.gz DWJDCPTVXCFKKD-UDNWOFFPSA-N 2 0 211.309 -0.018 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)CCOC1C[NH2+]C1 ZINC000381608577 398266910 /nfs/dbraw/zinc/26/69/10/398266910.db2.gz RIKTVUGSDWYCFP-MRVPVSSYSA-N 2 0 215.297 -0.911 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)CCOC1C[NH2+]C1 ZINC000381608579 398266893 /nfs/dbraw/zinc/26/68/93/398266893.db2.gz RIKTVUGSDWYCFP-QMMMGPOBSA-N 2 0 215.297 -0.911 10 0 BBAERP C[NH2+][C@H](C)CNC(=O)COC1(C)C[NH2+]C1 ZINC000381618132 398266960 /nfs/dbraw/zinc/26/69/60/398266960.db2.gz WQBFUBOPXAWYMM-MRVPVSSYSA-N 2 0 215.297 -0.911 10 0 BBAERP C[NH2+][C@@H](C)CNC(=O)COC1(C)C[NH2+]C1 ZINC000381618133 398266843 /nfs/dbraw/zinc/26/68/43/398266843.db2.gz WQBFUBOPXAWYMM-QMMMGPOBSA-N 2 0 215.297 -0.911 10 0 BBAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000381618317 398267306 /nfs/dbraw/zinc/26/73/06/398267306.db2.gz WVUCSZQPHZUFRQ-KXUCPTDWSA-N 2 0 211.309 -0.005 10 0 BBAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000381618318 398267195 /nfs/dbraw/zinc/26/71/95/398267195.db2.gz WVUCSZQPHZUFRQ-OPRDCNLKSA-N 2 0 211.309 -0.005 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000381620118 346452491 /nfs/dbraw/zinc/45/24/91/346452491.db2.gz YPVNHZQUAZRLPP-PSASIEDQSA-N 2 0 211.309 -0.290 10 0 BBAERP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CCC[NH2+]CC1 ZINC000381631408 367441584 /nfs/dbraw/zinc/44/15/84/367441584.db2.gz QUFXXDLARRPNKP-NXEZZACHSA-N 2 0 211.309 -0.051 10 0 BBAERP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000381631409 367442137 /nfs/dbraw/zinc/44/21/37/367442137.db2.gz QUFXXDLARRPNKP-VHSXEESVSA-N 2 0 211.309 -0.051 10 0 BBAERP CC[NH2+]CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000381632046 346488905 /nfs/dbraw/zinc/48/89/05/346488905.db2.gz RHMZZUSKAAPZIR-NXEZZACHSA-N 2 0 213.325 -0.042 10 0 BBAERP [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000381667664 367446057 /nfs/dbraw/zinc/44/60/57/367446057.db2.gz VWSDKRNYCTWEMF-GUBZILKMSA-N 2 0 211.309 -0.018 10 0 BBAERP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000381667667 367445834 /nfs/dbraw/zinc/44/58/34/367445834.db2.gz VWSDKRNYCTWEMF-UTLUCORTSA-N 2 0 211.309 -0.018 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000381696719 398269560 /nfs/dbraw/zinc/26/95/60/398269560.db2.gz HRUYFNJPYZKJCI-HLTSFMKQSA-N 2 0 211.309 -0.068 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000381696723 398269486 /nfs/dbraw/zinc/26/94/86/398269486.db2.gz HRUYFNJPYZKJCI-HRDYMLBCSA-N 2 0 211.309 -0.068 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000381696728 398269604 /nfs/dbraw/zinc/26/96/04/398269604.db2.gz HRUYFNJPYZKJCI-IWSPIJDZSA-N 2 0 211.309 -0.068 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000381696733 398269711 /nfs/dbraw/zinc/26/97/11/398269711.db2.gz HRUYFNJPYZKJCI-VGMNWLOBSA-N 2 0 211.309 -0.068 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000381776341 367456696 /nfs/dbraw/zinc/45/66/96/367456696.db2.gz XAXJPFBOLFTWOJ-DTWKUNHWSA-N 2 0 217.313 -0.550 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000381776345 367457099 /nfs/dbraw/zinc/45/70/99/367457099.db2.gz XAXJPFBOLFTWOJ-RKDXNWHRSA-N 2 0 217.313 -0.550 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000381805249 346442817 /nfs/dbraw/zinc/44/28/17/346442817.db2.gz FPHHOMSDVBYSJD-KXUCPTDWSA-N 2 0 211.309 -0.338 10 0 BBAERP [NH3+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000381999572 397858655 /nfs/dbraw/zinc/85/86/55/397858655.db2.gz JHJXGYPKBJQPFQ-RGOKHQFPSA-N 2 0 209.293 -0.314 10 0 BBAERP CN(CCC[NH3+])C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000382010497 398299683 /nfs/dbraw/zinc/29/96/83/398299683.db2.gz MHLAHNVEKSMYPO-JGVFFNPUSA-N 2 0 203.261 -0.506 10 0 BBAERP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000382025087 367480065 /nfs/dbraw/zinc/48/00/65/367480065.db2.gz RRLWEUAHMPJOQT-OPRDCNLKSA-N 2 0 213.325 -0.044 10 0 BBAERP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000382325971 367508006 /nfs/dbraw/zinc/50/80/06/367508006.db2.gz VDALIECIKWMGAS-KXUCPTDWSA-N 2 0 211.309 -0.338 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000382376591 397941790 /nfs/dbraw/zinc/94/17/90/397941790.db2.gz IEFOHKQZBMCGFT-QNSHHTMESA-N 2 0 211.309 -0.305 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000382376597 397941329 /nfs/dbraw/zinc/94/13/29/397941329.db2.gz IEFOHKQZBMCGFT-SZEHBUNVSA-N 2 0 211.309 -0.305 10 0 BBAERP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000382401279 367515763 /nfs/dbraw/zinc/51/57/63/367515763.db2.gz PZBUPJWKPZKYAR-DJLDLDEBSA-N 2 0 217.288 -0.214 10 0 BBAERP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000382401280 367516066 /nfs/dbraw/zinc/51/60/66/367516066.db2.gz PZBUPJWKPZKYAR-XHNCKOQMSA-N 2 0 217.288 -0.214 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000382402950 487541877 /nfs/dbraw/zinc/54/18/77/487541877.db2.gz QVILIYWRXYCNQE-KXUCPTDWSA-N 2 0 211.309 -0.161 10 0 BBAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000382402970 397946809 /nfs/dbraw/zinc/94/68/09/397946809.db2.gz QVILIYWRXYCNQE-OPRDCNLKSA-N 2 0 211.309 -0.161 10 0 BBAERP CC[NH2+]CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000382416037 350599445 /nfs/dbraw/zinc/59/94/45/350599445.db2.gz WANAVDLNPFYAAS-DTWKUNHWSA-N 2 0 217.288 -0.198 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000384076754 398064891 /nfs/dbraw/zinc/06/48/91/398064891.db2.gz RYDYYWBMXIANDS-GHMZBOCLSA-N 2 0 241.335 -0.487 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000384076755 398064592 /nfs/dbraw/zinc/06/45/92/398064592.db2.gz RYDYYWBMXIANDS-MNOVXSKESA-N 2 0 241.335 -0.487 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000384076757 398064857 /nfs/dbraw/zinc/06/48/57/398064857.db2.gz RYDYYWBMXIANDS-QWRGUYRKSA-N 2 0 241.335 -0.487 10 0 BBAERP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000384076759 398064516 /nfs/dbraw/zinc/06/45/16/398064516.db2.gz RYDYYWBMXIANDS-WDEREUQCSA-N 2 0 241.335 -0.487 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000384404107 367689328 /nfs/dbraw/zinc/68/93/28/367689328.db2.gz PVVPKNXFXYXGFV-UWVGGRQHSA-N 2 0 211.309 -0.194 10 0 BBAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000384404115 367688799 /nfs/dbraw/zinc/68/87/99/367688799.db2.gz PVVPKNXFXYXGFV-VHSXEESVSA-N 2 0 211.309 -0.194 10 0 BBAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000384404118 367689005 /nfs/dbraw/zinc/68/90/05/367689005.db2.gz PVVPKNXFXYXGFV-ZJUUUORDSA-N 2 0 211.309 -0.194 10 0 BBAERP CCN1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC000389302770 355955036 /nfs/dbraw/zinc/95/50/36/355955036.db2.gz CWWPBDNBPLLMDQ-NEPJUHHUSA-N 2 0 246.351 -0.306 10 0 BBAERP CCN1CC[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389302773 355955074 /nfs/dbraw/zinc/95/50/74/355955074.db2.gz CWWPBDNBPLLMDQ-NWDGAFQWSA-N 2 0 246.351 -0.306 10 0 BBAERP CCN1CC[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC000389302776 355954995 /nfs/dbraw/zinc/95/49/95/355954995.db2.gz CWWPBDNBPLLMDQ-RYUDHWBXSA-N 2 0 246.351 -0.306 10 0 BBAERP CCN1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389302779 355954872 /nfs/dbraw/zinc/95/48/72/355954872.db2.gz CWWPBDNBPLLMDQ-VXGBXAGGSA-N 2 0 246.351 -0.306 10 0 BBAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000389693661 488105803 /nfs/dbraw/zinc/10/58/03/488105803.db2.gz AYRAEKIHYQWJIN-HBNTYKKESA-N 2 0 241.335 -0.690 10 0 BBAERP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000389748179 357022564 /nfs/dbraw/zinc/02/25/64/357022564.db2.gz YCTQZBBZEGGHBO-AATLWQCWSA-N 2 0 211.309 -0.081 10 0 BBAERP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000389748181 358678627 /nfs/dbraw/zinc/67/86/27/358678627.db2.gz YCTQZBBZEGGHBO-AXTSPUMRSA-N 2 0 211.309 -0.081 10 0 BBAERP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000389748182 358678701 /nfs/dbraw/zinc/67/87/01/358678701.db2.gz YCTQZBBZEGGHBO-QCLAVDOMSA-N 2 0 211.309 -0.081 10 0 BBAERP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000389748187 358678722 /nfs/dbraw/zinc/67/87/22/358678722.db2.gz YCTQZBBZEGGHBO-SGIHWFKDSA-N 2 0 211.309 -0.081 10 0 BBAERP CC[NH2+]CCCNC(=O)[C@H]([NH3+])COC ZINC000389749465 352556228 /nfs/dbraw/zinc/55/62/28/352556228.db2.gz YKIKXZQFAAAJGQ-MRVPVSSYSA-N 2 0 203.286 -0.924 10 0 BBAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])COC)C1 ZINC000389750748 488109579 /nfs/dbraw/zinc/10/95/79/488109579.db2.gz PXONHFZQBRFICD-NXEZZACHSA-N 2 0 229.324 -0.439 10 0 BBAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])COC)C1 ZINC000389750754 488109350 /nfs/dbraw/zinc/10/93/50/488109350.db2.gz PXONHFZQBRFICD-UWVGGRQHSA-N 2 0 229.324 -0.439 10 0 BBAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)C1 ZINC000389750761 488109805 /nfs/dbraw/zinc/10/98/05/488109805.db2.gz PXONHFZQBRFICD-VHSXEESVSA-N 2 0 229.324 -0.439 10 0 BBAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])COC)C1 ZINC000389750768 488109238 /nfs/dbraw/zinc/10/92/38/488109238.db2.gz PXONHFZQBRFICD-ZJUUUORDSA-N 2 0 229.324 -0.439 10 0 BBAERP O[C@@H]1C[NH2+]C[C@@H]1CNCc1nccs1 ZINC000389915983 398148636 /nfs/dbraw/zinc/14/86/36/398148636.db2.gz NAPIBOBIWICQTQ-HTQZYQBOSA-N 2 0 213.306 -0.187 10 0 BBAERP O[C@@H]1C[NH2+]C[C@H]1CNCc1nccs1 ZINC000389915989 398148719 /nfs/dbraw/zinc/14/87/19/398148719.db2.gz NAPIBOBIWICQTQ-JGVFFNPUSA-N 2 0 213.306 -0.187 10 0 BBAERP O[C@H]1C[NH2+]C[C@@H]1CNCc1nccs1 ZINC000389915991 398148545 /nfs/dbraw/zinc/14/85/45/398148545.db2.gz NAPIBOBIWICQTQ-SFYZADRCSA-N 2 0 213.306 -0.187 10 0 BBAERP O[C@H]1C[NH2+]C[C@H]1CNCc1nccs1 ZINC000389915992 398148630 /nfs/dbraw/zinc/14/86/30/398148630.db2.gz NAPIBOBIWICQTQ-YUMQZZPRSA-N 2 0 213.306 -0.187 10 0 BBAERP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000390102872 398156503 /nfs/dbraw/zinc/15/65/03/398156503.db2.gz ASWIKZYSBGPZEW-UTLUCORTSA-N 2 0 211.309 -0.079 10 0 BBAERP NCC(F)(F)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000390312092 397885229 /nfs/dbraw/zinc/88/52/29/397885229.db2.gz GCVUWURHXPYKHW-NKWVEPMBSA-N 2 0 221.251 -0.176 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000390434881 371201772 /nfs/dbraw/zinc/20/17/72/371201772.db2.gz BLYJNKMTLPDXRF-MRVPVSSYSA-N 2 0 215.297 -0.652 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000390482793 357095424 /nfs/dbraw/zinc/09/54/24/357095424.db2.gz NKOSSTVINOWDRJ-HRDYMLBCSA-N 2 0 215.297 -0.831 10 0 BBAERP [NH3+]CCOCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000390495676 357097005 /nfs/dbraw/zinc/09/70/05/357097005.db2.gz RUZQCJGFQYSVEP-AXFHLTTASA-N 3 0 213.325 -0.369 10 0 BBAERP [NH3+]CCOCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000390495678 357096543 /nfs/dbraw/zinc/09/65/43/357096543.db2.gz RUZQCJGFQYSVEP-DCAQKATOSA-N 3 0 213.325 -0.369 10 0 BBAERP [NH3+]CCOCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000390495680 357096824 /nfs/dbraw/zinc/09/68/24/357096824.db2.gz RUZQCJGFQYSVEP-GARJFASQSA-N 3 0 213.325 -0.369 10 0 BBAERP [NH3+]CCOCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000390495682 357096477 /nfs/dbraw/zinc/09/64/77/357096477.db2.gz RUZQCJGFQYSVEP-HBNTYKKESA-N 3 0 213.325 -0.369 10 0 BBAERP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])COC ZINC000390504665 371209113 /nfs/dbraw/zinc/20/91/13/371209113.db2.gz WKVFBBLUKTZWRF-DTWKUNHWSA-N 2 0 217.313 -0.406 10 0 BBAERP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])COC ZINC000390504668 371208887 /nfs/dbraw/zinc/20/88/87/371208887.db2.gz WKVFBBLUKTZWRF-RKDXNWHRSA-N 2 0 217.313 -0.406 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000390513355 387332572 /nfs/dbraw/zinc/33/25/72/387332572.db2.gz CJSQHXBBYIFTRW-AEJSXWLSSA-N 2 0 211.309 -0.033 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000390513362 387330336 /nfs/dbraw/zinc/33/03/36/387330336.db2.gz CJSQHXBBYIFTRW-BBBLOLIVSA-N 2 0 211.309 -0.033 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000390513364 347374691 /nfs/dbraw/zinc/37/46/91/347374691.db2.gz CJSQHXBBYIFTRW-GUBZILKMSA-N 2 0 211.309 -0.033 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000390513366 387330401 /nfs/dbraw/zinc/33/04/01/387330401.db2.gz CJSQHXBBYIFTRW-UTLUCORTSA-N 2 0 211.309 -0.033 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000390525369 411074778 /nfs/dbraw/zinc/07/47/78/411074778.db2.gz GNIMDQNENVNTRG-CIUDSAMLSA-N 2 0 215.297 -0.796 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000390525370 411074757 /nfs/dbraw/zinc/07/47/57/411074757.db2.gz GNIMDQNENVNTRG-HRDYMLBCSA-N 2 0 215.297 -0.796 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000390525372 411074789 /nfs/dbraw/zinc/07/47/89/411074789.db2.gz GNIMDQNENVNTRG-VGMNWLOBSA-N 2 0 215.297 -0.796 10 0 BBAERP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000390525375 411074804 /nfs/dbraw/zinc/07/48/04/411074804.db2.gz GNIMDQNENVNTRG-XHNCKOQMSA-N 2 0 215.297 -0.796 10 0 BBAERP CN(C[C@@H](O)C[NH2+]CC1CC(O)C1)C1CC1 ZINC000390571112 346119257 /nfs/dbraw/zinc/11/92/57/346119257.db2.gz NGXVYWKMVLOVCJ-NHNAUAITSA-N 2 0 228.336 -0.198 10 0 BBAERP CN(C[C@H](O)C[NH2+]CC1CC(O)C1)C1CC1 ZINC000390571119 346119485 /nfs/dbraw/zinc/11/94/85/346119485.db2.gz NGXVYWKMVLOVCJ-QEWOUOOISA-N 2 0 228.336 -0.198 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000390602170 357111831 /nfs/dbraw/zinc/11/18/31/357111831.db2.gz BNMJYJCJUOYXAT-PSASIEDQSA-N 2 0 215.297 -0.796 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000390602171 357111735 /nfs/dbraw/zinc/11/17/35/357111735.db2.gz BNMJYJCJUOYXAT-SCZZXKLOSA-N 2 0 215.297 -0.796 10 0 BBAERP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]1C[NH3+] ZINC000390619954 357108319 /nfs/dbraw/zinc/10/83/19/357108319.db2.gz IDZFLVROBIJFOX-DTWKUNHWSA-N 2 0 215.297 -0.700 10 0 BBAERP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]1C[NH3+] ZINC000390619955 357108274 /nfs/dbraw/zinc/10/82/74/357108274.db2.gz IDZFLVROBIJFOX-IUCAKERBSA-N 2 0 215.297 -0.700 10 0 BBAERP CC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000390627594 398177610 /nfs/dbraw/zinc/17/76/10/398177610.db2.gz KFYMQRFKFIPBJG-NEPJUHHUSA-N 2 0 229.368 -0.065 10 0 BBAERP CC[N@H+](C)C[C@@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000390627598 397897112 /nfs/dbraw/zinc/89/71/12/397897112.db2.gz KFYMQRFKFIPBJG-NWDGAFQWSA-N 2 0 229.368 -0.065 10 0 BBAERP CC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000390627604 398177986 /nfs/dbraw/zinc/17/79/86/398177986.db2.gz KFYMQRFKFIPBJG-RYUDHWBXSA-N 2 0 229.368 -0.065 10 0 BBAERP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000390627607 398177665 /nfs/dbraw/zinc/17/76/65/398177665.db2.gz KFYMQRFKFIPBJG-VXGBXAGGSA-N 2 0 229.368 -0.065 10 0 BBAERP CC[NH2+]CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000390755724 357115307 /nfs/dbraw/zinc/11/53/07/357115307.db2.gz HJLXIBSVLPDMLE-RKDXNWHRSA-N 2 0 215.297 -0.911 10 0 BBAERP O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C1 ZINC000390775394 398245999 /nfs/dbraw/zinc/24/59/99/398245999.db2.gz FABYYVOHNMTGJH-NXEZZACHSA-N 2 0 211.309 -0.003 10 0 BBAERP O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000390775398 398099222 /nfs/dbraw/zinc/09/92/22/398099222.db2.gz FABYYVOHNMTGJH-ZJUUUORDSA-N 2 0 211.309 -0.003 10 0 BBAERP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000390796189 385905107 /nfs/dbraw/zinc/90/51/07/385905107.db2.gz ROGVGOUVUCAYCT-KXUCPTDWSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 ZINC000390796190 259415693 /nfs/dbraw/zinc/41/56/93/259415693.db2.gz ROGVGOUVUCAYCT-OPRDCNLKSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@]1(C(=O)NC[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000390798774 398249730 /nfs/dbraw/zinc/24/97/30/398249730.db2.gz VRNOMSXPUDHAOD-GXSJLCMTSA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000390798775 398249739 /nfs/dbraw/zinc/24/97/39/398249739.db2.gz VRNOMSXPUDHAOD-KOLCDFICSA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000390798776 398249736 /nfs/dbraw/zinc/24/97/36/398249736.db2.gz VRNOMSXPUDHAOD-MWLCHTKSSA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@@]1(C(=O)NC[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000390798777 398249514 /nfs/dbraw/zinc/24/95/14/398249514.db2.gz VRNOMSXPUDHAOD-ONGXEEELSA-N 2 0 211.309 -0.146 10 0 BBAERP C[C@]1(CNC[C@@H]2C[NH2+]C[C@H]2O)CC[NH2+]C1 ZINC000390800846 398249723 /nfs/dbraw/zinc/24/97/23/398249723.db2.gz YPWCYPDGEQFWDT-AXFHLTTASA-N 2 0 213.325 -0.844 10 0 BBAERP C[C@]1(CNC[C@@H]2C[NH2+]C[C@@H]2O)CC[NH2+]C1 ZINC000390800847 398249870 /nfs/dbraw/zinc/24/98/70/398249870.db2.gz YPWCYPDGEQFWDT-DCAQKATOSA-N 2 0 213.325 -0.844 10 0 BBAERP C[C@]1(CNC[C@H]2C[NH2+]C[C@H]2O)CC[NH2+]C1 ZINC000390800848 398249812 /nfs/dbraw/zinc/24/98/12/398249812.db2.gz YPWCYPDGEQFWDT-MXWKQRLJSA-N 2 0 213.325 -0.844 10 0 BBAERP C[C@]1(CNC[C@H]2C[NH2+]C[C@@H]2O)CC[NH2+]C1 ZINC000390800849 398249581 /nfs/dbraw/zinc/24/95/81/398249581.db2.gz YPWCYPDGEQFWDT-VWYCJHECSA-N 2 0 213.325 -0.844 10 0 BBAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392927621 387816067 /nfs/dbraw/zinc/81/60/67/387816067.db2.gz NACGRDLTKOXEOX-AXFHLTTASA-N 2 0 243.351 -0.444 10 0 BBAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392927624 387815732 /nfs/dbraw/zinc/81/57/32/387815732.db2.gz NACGRDLTKOXEOX-GMTAPVOTSA-N 2 0 243.351 -0.444 10 0 BBAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392927626 387816150 /nfs/dbraw/zinc/81/61/50/387816150.db2.gz NACGRDLTKOXEOX-HBNTYKKESA-N 2 0 243.351 -0.444 10 0 BBAERP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392927627 387815427 /nfs/dbraw/zinc/81/54/27/387815427.db2.gz NACGRDLTKOXEOX-MXWKQRLJSA-N 2 0 243.351 -0.444 10 0 BBAERP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000393487833 410698023 /nfs/dbraw/zinc/69/80/23/410698023.db2.gz RGUZVASALXKPBM-DOLQZWNJSA-N 2 0 209.293 -0.410 10 0 BBAERP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000393487835 410697852 /nfs/dbraw/zinc/69/78/52/410697852.db2.gz RGUZVASALXKPBM-IMSYWVGJSA-N 2 0 209.293 -0.410 10 0 BBAERP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000393753927 357296389 /nfs/dbraw/zinc/29/63/89/357296389.db2.gz GOABRZOTWGEFKZ-GUBZILKMSA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000393753928 357296564 /nfs/dbraw/zinc/29/65/64/357296564.db2.gz GOABRZOTWGEFKZ-LPEHRKFASA-N 2 0 211.309 -0.290 10 0 BBAERP C[C@@H]([NH3+])CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000393770025 357297852 /nfs/dbraw/zinc/29/78/52/357297852.db2.gz SCAPDDXHCIERDR-BDAKNGLRSA-N 2 0 215.297 -0.782 10 0 BBAERP C[C@@H]([NH3+])CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000393770030 357297489 /nfs/dbraw/zinc/29/74/89/357297489.db2.gz SCAPDDXHCIERDR-RKDXNWHRSA-N 2 0 215.297 -0.782 10 0 BBAERP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000393801657 343960344 /nfs/dbraw/zinc/96/03/44/343960344.db2.gz SXJWKKOBJHXHJM-AXTSPUMRSA-N 2 0 211.309 -0.081 10 0 BBAERP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000393801659 343960383 /nfs/dbraw/zinc/96/03/83/343960383.db2.gz SXJWKKOBJHXHJM-QEYWKRMJSA-N 2 0 211.309 -0.081 10 0 BBAERP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000393809319 259389142 /nfs/dbraw/zinc/38/91/42/259389142.db2.gz ROGVGOUVUCAYCT-IVZWLZJFSA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)C[NH2+]1 ZINC000393809321 259389409 /nfs/dbraw/zinc/38/94/09/259389409.db2.gz ROGVGOUVUCAYCT-LPEHRKFASA-N 2 0 211.309 -0.195 10 0 BBAERP C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000393972378 410768118 /nfs/dbraw/zinc/76/81/18/410768118.db2.gz RUKGIQOSQMSIRE-CHHOWFRJSA-N 2 0 209.293 -0.315 10 0 BBAERP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000393972383 410768972 /nfs/dbraw/zinc/76/89/72/410768972.db2.gz RUKGIQOSQMSIRE-IGORNWKESA-N 2 0 209.293 -0.315 10 0 BBAERP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000393972398 410768708 /nfs/dbraw/zinc/76/87/08/410768708.db2.gz RUKGIQOSQMSIRE-SPFKKGSWSA-N 2 0 209.293 -0.315 10 0 BBAERP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394380444 487669355 /nfs/dbraw/zinc/66/93/55/487669355.db2.gz HPRZDTAJTVXNOW-GHMZBOCLSA-N 2 0 240.351 -0.900 10 0 BBAERP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394380448 487669410 /nfs/dbraw/zinc/66/94/10/487669410.db2.gz HPRZDTAJTVXNOW-MNOVXSKESA-N 2 0 240.351 -0.900 10 0 BBAERP Cn1ccnc1[C@H]1[C@H](C[NH3+])CC(=O)N1C ZINC000394897034 388702678 /nfs/dbraw/zinc/70/26/78/388702678.db2.gz BVDXONMNSOSTFE-IONNQARKSA-N 2 0 208.265 -0.102 10 0 BBAERP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]cc1C(N)=O ZINC000398983177 357892553 /nfs/dbraw/zinc/89/25/53/357892553.db2.gz GAJLFARBXFLWQJ-BQBZGAKWSA-N 2 0 208.265 -0.250 10 0 BBAERP C[C@@H](Nc1cc[nH+]cc1C(N)=O)[C@H](C)[NH3+] ZINC000398983178 357893040 /nfs/dbraw/zinc/89/30/40/357893040.db2.gz GAJLFARBXFLWQJ-NKWVEPMBSA-N 2 0 208.265 -0.250 10 0 BBAERP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]cc1C(N)=O ZINC000398983180 357892561 /nfs/dbraw/zinc/89/25/61/357892561.db2.gz GAJLFARBXFLWQJ-RNFRBKRXSA-N 2 0 208.265 -0.250 10 0 BBAERP C[C@@H]([NH3+])[C@H](C)Nc1cc[nH+]cc1C(N)=O ZINC000398983182 357892413 /nfs/dbraw/zinc/89/24/13/357892413.db2.gz GAJLFARBXFLWQJ-RQJHMYQMSA-N 2 0 208.265 -0.250 10 0 BBAERP NC(=O)c1c[nH+]ccc1N[C@H](CC[NH3+])C(F)F ZINC000398990104 357892407 /nfs/dbraw/zinc/89/24/07/357892407.db2.gz JYYCGXMGSQMHDY-MRVPVSSYSA-N 2 0 244.245 -0.003 10 0 BBAERP NC(=O)c1c[nH+]ccc1N[C@@H](CC[NH3+])C(F)F ZINC000398990106 357892802 /nfs/dbraw/zinc/89/28/02/357892802.db2.gz JYYCGXMGSQMHDY-QMMMGPOBSA-N 2 0 244.245 -0.003 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC[C@@H]1COCC[NH2+]1 ZINC000399013900 364722912 /nfs/dbraw/zinc/72/29/12/364722912.db2.gz DAUQBYDKVFCBAC-MRVPVSSYSA-N 2 0 236.275 -0.997 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC[C@H]1COCC[NH2+]1 ZINC000399013902 364722663 /nfs/dbraw/zinc/72/26/63/364722663.db2.gz DAUQBYDKVFCBAC-QMMMGPOBSA-N 2 0 236.275 -0.997 10 0 BBAERP COCC[NH2+]CCNc1cc[nH+]cc1C(N)=O ZINC000399046149 357895317 /nfs/dbraw/zinc/89/53/17/357895317.db2.gz UQHMQJRADRLAEW-UHFFFAOYSA-N 2 0 238.291 -0.750 10 0 BBAERP CC[NH2+]CCNc1cc[nH+]cc1C(N)=O ZINC000399128904 357896532 /nfs/dbraw/zinc/89/65/32/357896532.db2.gz LYMNUGHHCKPALO-UHFFFAOYSA-N 2 0 208.265 -0.376 10 0 BBAERP NC(=O)c1c[nH+]ccc1N[C@@H]1CC[NH2+]C1 ZINC000399133518 367646051 /nfs/dbraw/zinc/64/60/51/367646051.db2.gz PCGBYFJFHKGSDL-SSDOTTSWSA-N 2 0 206.249 -0.624 10 0 BBAERP NC(=O)c1c[nH+]ccc1N[C@H]1CC[NH2+]C1 ZINC000399133519 357896564 /nfs/dbraw/zinc/89/65/64/357896564.db2.gz PCGBYFJFHKGSDL-ZETCQYMHSA-N 2 0 206.249 -0.624 10 0 BBAERP NC(=O)c1c[nH+]ccc1NCC[NH2+]C1CC1 ZINC000399163108 411022678 /nfs/dbraw/zinc/02/26/78/411022678.db2.gz DCPWXVYYSWAJJN-UHFFFAOYSA-N 2 0 220.276 -0.234 10 0 BBAERP CC(C)([NH3+])CNc1cc[nH+]cc1C(N)=O ZINC000399163245 355843896 /nfs/dbraw/zinc/84/38/96/355843896.db2.gz DIFPHJCTQPNCBC-UHFFFAOYSA-N 2 0 208.265 -0.248 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC1CC[NH2+]CC1 ZINC000399171604 367849461 /nfs/dbraw/zinc/84/94/61/367849461.db2.gz GMDGVJBHYZBESB-UHFFFAOYSA-N 2 0 220.276 -0.234 10 0 BBAERP NC(=O)c1c[nH+]ccc1NCC1([NH3+])CCC1 ZINC000399179594 357897665 /nfs/dbraw/zinc/89/76/65/357897665.db2.gz IVEHNMYJJJPTEL-UHFFFAOYSA-N 2 0 220.276 -0.104 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC[C@@H]([NH3+])C1CC1 ZINC000399217855 357898861 /nfs/dbraw/zinc/89/88/61/357898861.db2.gz JMJAUIUXIBINOG-SECBINFHSA-N 2 0 220.276 -0.248 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC[C@H]([NH3+])C1CC1 ZINC000399217858 357898815 /nfs/dbraw/zinc/89/88/15/357898815.db2.gz JMJAUIUXIBINOG-VIFPVBQESA-N 2 0 220.276 -0.248 10 0 BBAERP CC(C)[C@H]([NH3+])CNc1cc[nH+]cc1C(N)=O ZINC000399227309 357899566 /nfs/dbraw/zinc/89/95/66/357899566.db2.gz NRSWVSVASVAHEZ-SECBINFHSA-N 2 0 222.292 -0.002 10 0 BBAERP CC(C)[C@@H]([NH3+])CNc1cc[nH+]cc1C(N)=O ZINC000399227311 357899319 /nfs/dbraw/zinc/89/93/19/357899319.db2.gz NRSWVSVASVAHEZ-VIFPVBQESA-N 2 0 222.292 -0.002 10 0 BBAERP CN(CCC[NH3+])c1cc[nH+]cc1C(N)=O ZINC000399231085 357899468 /nfs/dbraw/zinc/89/94/68/357899468.db2.gz PBZRHWADXKRLNM-UHFFFAOYSA-N 2 0 208.265 -0.035 10 0 BBAERP CCN(CC[NH3+])c1cc[nH+]cc1C(N)=O ZINC000399232144 367909354 /nfs/dbraw/zinc/90/93/54/367909354.db2.gz PNCJAOIIYBNGON-UHFFFAOYSA-N 2 0 208.265 -0.035 10 0 BBAERP CC[C@@H]([NH3+])CNc1cc[nH+]cc1C(N)=O ZINC000399235984 357899415 /nfs/dbraw/zinc/89/94/15/357899415.db2.gz RDAAHZGDQGSYPG-SSDOTTSWSA-N 2 0 208.265 -0.248 10 0 BBAERP CC[C@H]([NH3+])CNc1cc[nH+]cc1C(N)=O ZINC000399235986 357899373 /nfs/dbraw/zinc/89/93/73/357899373.db2.gz RDAAHZGDQGSYPG-ZETCQYMHSA-N 2 0 208.265 -0.248 10 0 BBAERP C[C@@H]([NH3+])CCNc1cc[nH+]cc1C(N)=O ZINC000399241487 490092317 /nfs/dbraw/zinc/09/23/17/490092317.db2.gz UIJLUZWPSXVYNA-SSDOTTSWSA-N 2 0 208.265 -0.248 10 0 BBAERP C[C@H]([NH3+])CCNc1cc[nH+]cc1C(N)=O ZINC000399241489 355869105 /nfs/dbraw/zinc/86/91/05/355869105.db2.gz UIJLUZWPSXVYNA-ZETCQYMHSA-N 2 0 208.265 -0.248 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC[C@H]1CCC[NH2+]1 ZINC000399241944 357899298 /nfs/dbraw/zinc/89/92/98/357899298.db2.gz ULYQXXDUCFXTRN-MRVPVSSYSA-N 2 0 220.276 -0.234 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[NH2+]1 ZINC000399241948 357899534 /nfs/dbraw/zinc/89/95/34/357899534.db2.gz ULYQXXDUCFXTRN-QMMMGPOBSA-N 2 0 220.276 -0.234 10 0 BBAERP C[NH2+][C@H](C)CNc1cc[nH+]cc1C(N)=O ZINC000399247572 487741626 /nfs/dbraw/zinc/74/16/26/487741626.db2.gz WLQAYSWKWKKRPE-SSDOTTSWSA-N 2 0 208.265 -0.378 10 0 BBAERP C[NH2+][C@@H](C)CNc1cc[nH+]cc1C(N)=O ZINC000399247573 487741488 /nfs/dbraw/zinc/74/14/88/487741488.db2.gz WLQAYSWKWKKRPE-ZETCQYMHSA-N 2 0 208.265 -0.378 10 0 BBAERP NC(=O)c1c[nH+]ccc1N[C@@H]1CCC[NH2+]C1 ZINC000399250429 357899241 /nfs/dbraw/zinc/89/92/41/357899241.db2.gz XRFSZYXQUQDSND-MRVPVSSYSA-N 2 0 220.276 -0.234 10 0 BBAERP NC(=O)c1c[nH+]ccc1N[C@H]1CCC[NH2+]C1 ZINC000399250431 357899745 /nfs/dbraw/zinc/89/97/45/357899745.db2.gz XRFSZYXQUQDSND-QMMMGPOBSA-N 2 0 220.276 -0.234 10 0 BBAERP Cn1ccnc1[C@@H]1[C@H](C[NH3+])CC(=O)N1C ZINC000399700799 388702793 /nfs/dbraw/zinc/70/27/93/388702793.db2.gz BVDXONMNSOSTFE-CBAPKCEASA-N 2 0 208.265 -0.102 10 0 BBAERP Cn1ccnc1[C@H]1[C@@H](C[NH3+])CC(=O)N1C ZINC000399700801 388702715 /nfs/dbraw/zinc/70/27/15/388702715.db2.gz BVDXONMNSOSTFE-VXNVDRBHSA-N 2 0 208.265 -0.102 10 0 BBAERP C[NH+](C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000401732571 488059632 /nfs/dbraw/zinc/05/96/32/488059632.db2.gz PJZNIZVAFYJGBK-RXMQYKEDSA-N 2 0 213.203 -0.446 10 0 BBAERP C[NH+](C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000401732573 488059508 /nfs/dbraw/zinc/05/95/08/488059508.db2.gz PJZNIZVAFYJGBK-YFKPBYRVSA-N 2 0 213.203 -0.446 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404046020 369417306 /nfs/dbraw/zinc/41/73/06/369417306.db2.gz IWMAWMKCMOQGDL-NXEZZACHSA-N 2 0 227.308 -0.863 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404046023 369417568 /nfs/dbraw/zinc/41/75/68/369417568.db2.gz IWMAWMKCMOQGDL-UWVGGRQHSA-N 2 0 227.308 -0.863 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404046028 369417753 /nfs/dbraw/zinc/41/77/53/369417753.db2.gz IWMAWMKCMOQGDL-VHSXEESVSA-N 2 0 227.308 -0.863 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404046031 369417691 /nfs/dbraw/zinc/41/76/91/369417691.db2.gz IWMAWMKCMOQGDL-ZJUUUORDSA-N 2 0 227.308 -0.863 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404884482 369439095 /nfs/dbraw/zinc/43/90/95/369439095.db2.gz LMRDVQLRBSEMDW-GHMZBOCLSA-N 2 0 243.351 -0.097 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404884483 369438926 /nfs/dbraw/zinc/43/89/26/369438926.db2.gz LMRDVQLRBSEMDW-MNOVXSKESA-N 2 0 243.351 -0.097 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404884485 369438186 /nfs/dbraw/zinc/43/81/86/369438186.db2.gz LMRDVQLRBSEMDW-QWRGUYRKSA-N 2 0 243.351 -0.097 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404884486 369438734 /nfs/dbraw/zinc/43/87/34/369438734.db2.gz LMRDVQLRBSEMDW-WDEREUQCSA-N 2 0 243.351 -0.097 10 0 BBAERP CCO[C@@H]1C[N@H+](CCC(=O)OC)C[C@H]1C[NH3+] ZINC000405844096 364773409 /nfs/dbraw/zinc/77/34/09/364773409.db2.gz GTIYMZWDKDEXLQ-NXEZZACHSA-N 2 0 230.308 -0.155 10 0 BBAERP Cc1c[nH+]ccc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420248364 192186500 /nfs/dbraw/zinc/18/65/00/192186500.db2.gz VZACOWBNKCOPES-GXSJLCMTSA-N 2 0 207.277 -0.196 10 0 BBAERP Cc1c[nH+]ccc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420248370 192186637 /nfs/dbraw/zinc/18/66/37/192186637.db2.gz VZACOWBNKCOPES-KOLCDFICSA-N 2 0 207.277 -0.196 10 0 BBAERP Cc1c[nH+]ccc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420248373 192186883 /nfs/dbraw/zinc/18/68/83/192186883.db2.gz VZACOWBNKCOPES-MWLCHTKSSA-N 2 0 207.277 -0.196 10 0 BBAERP Cc1c[nH+]ccc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420248374 192186651 /nfs/dbraw/zinc/18/66/51/192186651.db2.gz VZACOWBNKCOPES-ONGXEEELSA-N 2 0 207.277 -0.196 10 0 BBAERP Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)cc[nH+]1 ZINC000420248466 192186835 /nfs/dbraw/zinc/18/68/35/192186835.db2.gz WEYXCAIAAGXZLP-GXSJLCMTSA-N 2 0 207.277 -0.196 10 0 BBAERP Cc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)cc[nH+]1 ZINC000420248467 192186993 /nfs/dbraw/zinc/18/69/93/192186993.db2.gz WEYXCAIAAGXZLP-KOLCDFICSA-N 2 0 207.277 -0.196 10 0 BBAERP Cc1cc(NC[C@H]2C[NH2+]C[C@H]2O)cc[nH+]1 ZINC000420248469 192187091 /nfs/dbraw/zinc/18/70/91/192187091.db2.gz WEYXCAIAAGXZLP-MWLCHTKSSA-N 2 0 207.277 -0.196 10 0 BBAERP Cc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)cc[nH+]1 ZINC000420248470 192186733 /nfs/dbraw/zinc/18/67/33/192186733.db2.gz WEYXCAIAAGXZLP-ONGXEEELSA-N 2 0 207.277 -0.196 10 0 BBAERP CC(=O)NCCC[NH+]1CCN(CCC[NH3+])CC1 ZINC000504124706 526734858 /nfs/dbraw/zinc/73/48/58/526734858.db2.gz CCTRSSOKCRHDCW-UHFFFAOYSA-N 2 0 242.367 -0.521 10 0 BBAERP CC1CC[NH+](C[C@@H]2OC[C@H]([NH3+])[C@H]2O)CC1 ZINC000514288004 384404021 /nfs/dbraw/zinc/40/40/21/384404021.db2.gz JCEIRMPNYWCATH-GARJFASQSA-N 2 0 214.309 -0.195 10 0 biogenic,in-vitro BBAERP [NH3+][C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O ZINC000514288045 384403010 /nfs/dbraw/zinc/40/30/10/384403010.db2.gz XNSAOCXDOMDYEN-XHNCKOQMSA-N 2 0 236.262 -0.196 10 0 biogenic,in-vitro BBAERP C[NH2+]C[C@H](O)C[C@@]1(C[NH3+])CCCOC1 ZINC000536953570 323961512 /nfs/dbraw/zinc/96/15/12/323961512.db2.gz IVZZRKOCQZNWOU-NXEZZACHSA-N 2 0 202.298 -0.288 10 0 BBAERP C[NH2+]C[C@@H](O)C[C@]1(C[NH3+])CCCOC1 ZINC000536953582 323961376 /nfs/dbraw/zinc/96/13/76/323961376.db2.gz IVZZRKOCQZNWOU-UWVGGRQHSA-N 2 0 202.298 -0.288 10 0 BBAERP C[NH2+]C[C@@H](O)C[C@@]1(C[NH3+])CCCOC1 ZINC000536953584 323961378 /nfs/dbraw/zinc/96/13/78/323961378.db2.gz IVZZRKOCQZNWOU-VHSXEESVSA-N 2 0 202.298 -0.288 10 0 BBAERP C[NH2+]C[C@H](O)C[C@]1(C[NH3+])CCCOC1 ZINC000536953585 323961215 /nfs/dbraw/zinc/96/12/15/323961215.db2.gz IVZZRKOCQZNWOU-ZJUUUORDSA-N 2 0 202.298 -0.288 10 0 BBAERP CC[NH+]1CCN([C@H]2C[NH2+]CC[C@@H]2O)CC1 ZINC000536955969 387169111 /nfs/dbraw/zinc/16/91/11/387169111.db2.gz WOWYHBNDZKFOTB-QWRGUYRKSA-N 2 0 213.325 -0.653 10 0 BBAERP OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000563135158 323094549 /nfs/dbraw/zinc/09/45/49/323094549.db2.gz IGCKIBSHNUHSGA-DCAQKATOSA-N 2 0 214.309 -0.587 10 0 BBAERP OC[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000563135160 323094619 /nfs/dbraw/zinc/09/46/19/323094619.db2.gz IGCKIBSHNUHSGA-VWYCJHECSA-N 2 0 214.309 -0.587 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000566736439 326078358 /nfs/dbraw/zinc/07/83/58/326078358.db2.gz AFISEPBIGXCVDK-JTQLQIEISA-N 2 0 227.308 -0.733 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000566736441 326078646 /nfs/dbraw/zinc/07/86/46/326078646.db2.gz AFISEPBIGXCVDK-SNVBAGLBSA-N 2 0 227.308 -0.733 10 0 BBAERP NC(=[NH2+])NC(=[NH2+])NCC1SCCS1 ZINC000575455690 387027342 /nfs/dbraw/zinc/02/73/42/387027342.db2.gz XTWVEBAADFGMEV-UHFFFAOYSA-N 2 0 219.339 -0.200 10 0 BBAERP C[NH2+][C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000579971573 367109554 /nfs/dbraw/zinc/10/95/54/367109554.db2.gz FPFHDUBKDJWVHS-SECBINFHSA-N 2 0 211.309 -0.099 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000580075831 346513491 /nfs/dbraw/zinc/51/34/91/346513491.db2.gz BCRQVQSYCOMMKU-AEJSXWLSSA-N 2 0 211.309 -0.114 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000580075832 346513470 /nfs/dbraw/zinc/51/34/70/346513470.db2.gz BCRQVQSYCOMMKU-KXUCPTDWSA-N 2 0 211.309 -0.114 10 0 BBAERP C[NH+](C)CCOCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000583933148 342728086 /nfs/dbraw/zinc/72/80/86/342728086.db2.gz CHLMFSXHXXARQB-VHSXEESVSA-N 2 0 247.314 -0.619 10 0 BBAERP C1=[NH+]CCN1CC[NH2+]CCN1C=[NH+]CC1 ZINC000584599623 387501566 /nfs/dbraw/zinc/50/15/66/387501566.db2.gz GDZRBRIRUCKLAA-UHFFFAOYSA-N 3 0 209.297 -0.736 10 0 BBAERP [NH3+]CCC[C@@H](C(=O)[O-])[NH+](CCC[NH3+])CCC[NH3+] ZINC000584643727 358328342 /nfs/dbraw/zinc/32/83/42/358328342.db2.gz XWKYKWUPMWQYHF-JTQLQIEISA-N 3 0 246.355 -0.822 10 0 BBAERP CC(C)(C)NC(=O)CCN(CC[NH3+])CC[NH3+] ZINC000584651445 358306349 /nfs/dbraw/zinc/30/63/49/358306349.db2.gz SLUZEKJQPMKBHL-UHFFFAOYSA-N 2 0 230.356 -0.489 10 0 BBAERP C[NH2+]CCCN(C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000584720708 358162158 /nfs/dbraw/zinc/16/21/58/358162158.db2.gz ALBFGXDLCBGMOU-DTWKUNHWSA-N 2 0 217.288 -0.246 10 0 BBAERP C1=NC2=[NH+]C[C@@H](C3CC[NH2+]CC3)CN2N1 ZINC000584904586 346641178 /nfs/dbraw/zinc/64/11/78/346641178.db2.gz HTWGSTPIXPMWEN-SECBINFHSA-N 2 0 207.281 -0.180 10 0 BBAERP C1=NC2=[NH+]C[C@H](C3CC[NH2+]CC3)CN2N1 ZINC000584904587 346641247 /nfs/dbraw/zinc/64/12/47/346641247.db2.gz HTWGSTPIXPMWEN-VIFPVBQESA-N 2 0 207.281 -0.180 10 0 BBAERP C[NH2+]CCOCC[N@H+](C)CCC(=O)OC ZINC000600730152 344363979 /nfs/dbraw/zinc/36/39/79/344363979.db2.gz YKRWFUZNIOQXNG-UHFFFAOYSA-N 2 0 218.297 -0.283 10 0 BBAERP COC(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000600739340 344366392 /nfs/dbraw/zinc/36/63/92/344366392.db2.gz BJRDKOZMZAUIAE-UHFFFAOYSA-N 2 0 204.270 -0.543 10 0 BBAERP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326062 347207851 /nfs/dbraw/zinc/20/78/51/347207851.db2.gz IZRJVDIMUWYFCA-BDAKNGLRSA-N 2 0 242.323 -0.641 10 0 BBAERP CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326063 347207945 /nfs/dbraw/zinc/20/79/45/347207945.db2.gz IZRJVDIMUWYFCA-DTWKUNHWSA-N 2 0 242.323 -0.641 10 0 BBAERP CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326064 347208027 /nfs/dbraw/zinc/20/80/27/347208027.db2.gz IZRJVDIMUWYFCA-IUCAKERBSA-N 2 0 242.323 -0.641 10 0 BBAERP C[NH2+]CCCn1cc(C[NH3+])c(=O)[nH]c1=O ZINC000616568800 369090395 /nfs/dbraw/zinc/09/03/95/369090395.db2.gz MXQRBEPXKMSUOT-UHFFFAOYSA-N 2 0 212.253 -0.983 10 0 BBAERP C[NH+](C)CC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616570403 348065620 /nfs/dbraw/zinc/06/56/20/348065620.db2.gz FZXIRFZDMLZPJR-UHFFFAOYSA-N 2 0 211.309 -0.240 10 0 BBAERP C[NH+](C)CC(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000616571815 349061271 /nfs/dbraw/zinc/06/12/71/349061271.db2.gz NPSOBMIAYMEJSO-UHFFFAOYSA-N 2 0 211.309 -0.240 10 0 BBAERP C[N@@H+]1CCCN([C@H]2CC[NH2+]CC[C@@H]2O)CC1 ZINC000616577230 349123023 /nfs/dbraw/zinc/12/30/23/349123023.db2.gz FOPLPHOASOVPKH-RYUDHWBXSA-N 2 0 227.352 -0.263 10 0 BBAERP Nc1cc([C@@H]2CN(CC[NH3+])CC[NH2+]2)ccn1 ZINC000616633457 411287724 /nfs/dbraw/zinc/28/77/24/411287724.db2.gz AQROMDDHFXLYOR-JTQLQIEISA-N 2 0 221.308 -0.431 10 0 BBAERP Nc1ncccc1[C@@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616633549 351115543 /nfs/dbraw/zinc/11/55/43/351115543.db2.gz CANDFFHCODJEDY-JTQLQIEISA-N 2 0 221.308 -0.431 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@H](c2ccncc2)C1 ZINC000616634238 351117272 /nfs/dbraw/zinc/11/72/72/351117272.db2.gz OBHIVZVPKSZPDR-NSHDSACASA-N 2 0 206.293 -0.013 10 0 BBAERP NC(=O)c1ccccc1[C@@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616634272 351116989 /nfs/dbraw/zinc/11/69/89/351116989.db2.gz PFANZBVLTGFJBB-LBPRGKRZSA-N 2 0 248.330 -0.310 10 0 BBAERP NC(=O)c1cccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616634412 351116934 /nfs/dbraw/zinc/11/69/34/351116934.db2.gz SGXOHABCTRKFHY-LBPRGKRZSA-N 2 0 248.330 -0.310 10 0 BBAERP NC(=O)c1ccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)cc1 ZINC000616634520 351116994 /nfs/dbraw/zinc/11/69/94/351116994.db2.gz USLZOHHQYIDNMX-LBPRGKRZSA-N 2 0 248.330 -0.310 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@H](c2cncnc2)C1 ZINC000616634758 351117898 /nfs/dbraw/zinc/11/78/98/351117898.db2.gz WZJUJBDUFXXPPX-JTQLQIEISA-N 2 0 207.281 -0.618 10 0 BBAERP Nc1ccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)cn1 ZINC000616634774 411405552 /nfs/dbraw/zinc/40/55/52/411405552.db2.gz XSLWDRCFILMZIO-JTQLQIEISA-N 2 0 221.308 -0.431 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@H](c2cccnc2)C1 ZINC000616634779 351118084 /nfs/dbraw/zinc/11/80/84/351118084.db2.gz XXQUDAMSDLRKLT-NSHDSACASA-N 2 0 206.293 -0.013 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@H](c2ccnnc2)C1 ZINC000616634814 351117975 /nfs/dbraw/zinc/11/79/75/351117975.db2.gz ZJZKAGYDYDACJG-JTQLQIEISA-N 2 0 207.281 -0.618 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@H](c2ccccn2)C1 ZINC000616634827 351117829 /nfs/dbraw/zinc/11/78/29/351117829.db2.gz ZXFJGELNMBCKOP-NSHDSACASA-N 2 0 206.293 -0.013 10 0 BBAERP Nc1cccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)n1 ZINC000616634828 351117971 /nfs/dbraw/zinc/11/79/71/351117971.db2.gz ZXMUYZBQLYPDLY-JTQLQIEISA-N 2 0 221.308 -0.431 10 0 BBAERP Nc1ccc([C@@H]2C[NH2+]CCN2CC[NH3+])cn1 ZINC000616635261 411287579 /nfs/dbraw/zinc/28/75/79/411287579.db2.gz BLFBSEFMMCLIJI-JTQLQIEISA-N 2 0 221.308 -0.431 10 0 BBAERP Nc1ccc([C@H]2C[NH2+]CCN2CC[NH3+])cn1 ZINC000616635523 411287559 /nfs/dbraw/zinc/28/75/59/411287559.db2.gz BLFBSEFMMCLIJI-SNVBAGLBSA-N 2 0 221.308 -0.431 10 0 BBAERP Nc1ncccc1[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000616635552 398208479 /nfs/dbraw/zinc/20/84/79/398208479.db2.gz GTCSMDUUPWNZIL-JTQLQIEISA-N 2 0 221.308 -0.431 10 0 BBAERP Nc1cc([C@@H]2C[NH2+]CCN2CC[NH3+])ccn1 ZINC000616635616 411287886 /nfs/dbraw/zinc/28/78/86/411287886.db2.gz IPNLLUYQTXDQMV-JTQLQIEISA-N 2 0 221.308 -0.431 10 0 BBAERP NC(=O)c1ccccc1[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000616635696 351108501 /nfs/dbraw/zinc/10/85/01/351108501.db2.gz KGDMBNLRMATYCJ-LBPRGKRZSA-N 2 0 248.330 -0.310 10 0 BBAERP Nc1ncccc1[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000616635744 351121416 /nfs/dbraw/zinc/12/14/16/351121416.db2.gz GTCSMDUUPWNZIL-SNVBAGLBSA-N 2 0 221.308 -0.431 10 0 BBAERP Nc1cccc([C@@H]2C[NH2+]CCN2CC[NH3+])n1 ZINC000616635751 351121262 /nfs/dbraw/zinc/12/12/62/351121262.db2.gz LKCVDMGWRVVKMB-JTQLQIEISA-N 2 0 221.308 -0.431 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccnnc1 ZINC000616635775 351121196 /nfs/dbraw/zinc/12/11/96/351121196.db2.gz MGVNSOYAFGSZTP-JTQLQIEISA-N 2 0 207.281 -0.618 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cccnn1 ZINC000616635899 385817481 /nfs/dbraw/zinc/81/74/81/385817481.db2.gz MTDQWSYTVCKAAF-JTQLQIEISA-N 2 0 207.281 -0.618 10 0 BBAERP Nc1cc([C@H]2C[NH2+]CCN2CC[NH3+])ccn1 ZINC000616636015 411287269 /nfs/dbraw/zinc/28/72/69/411287269.db2.gz IPNLLUYQTXDQMV-SNVBAGLBSA-N 2 0 221.308 -0.431 10 0 BBAERP NC(=O)c1ccc([C@@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616636033 351122702 /nfs/dbraw/zinc/12/27/02/351122702.db2.gz QBARMTGVSIFPJY-LBPRGKRZSA-N 2 0 248.330 -0.310 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1cncnc1 ZINC000616636056 351122938 /nfs/dbraw/zinc/12/29/38/351122938.db2.gz QSGRQUNACJZTBM-JTQLQIEISA-N 2 0 207.281 -0.618 10 0 BBAERP NC(=O)c1ccccc1[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000616636108 351123983 /nfs/dbraw/zinc/12/39/83/351123983.db2.gz KGDMBNLRMATYCJ-GFCCVEGCSA-N 2 0 248.330 -0.310 10 0 BBAERP Nc1cccc([C@H]2C[NH2+]CCN2CC[NH3+])n1 ZINC000616636171 351123598 /nfs/dbraw/zinc/12/35/98/351123598.db2.gz LKCVDMGWRVVKMB-SNVBAGLBSA-N 2 0 221.308 -0.431 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccnnc1 ZINC000616636230 351123834 /nfs/dbraw/zinc/12/38/34/351123834.db2.gz MGVNSOYAFGSZTP-SNVBAGLBSA-N 2 0 207.281 -0.618 10 0 BBAERP CCOC(=O)N1CC[NH2+]C[C@H]1CC[NH3+] ZINC000616636243 351124424 /nfs/dbraw/zinc/12/44/24/351124424.db2.gz SWRREQXFJGRUCF-MRVPVSSYSA-N 2 0 201.270 -0.235 10 0 BBAERP NC(=O)c1cccc([C@@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616636428 351125335 /nfs/dbraw/zinc/12/53/35/351125335.db2.gz RPVNGFDBMPTLRU-LBPRGKRZSA-N 2 0 248.330 -0.310 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccccn1 ZINC000616636445 351125188 /nfs/dbraw/zinc/12/51/88/351125188.db2.gz SWKFUPQMAQBMIC-NSHDSACASA-N 2 0 206.293 -0.013 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ncccn1 ZINC000616636467 351125494 /nfs/dbraw/zinc/12/54/94/351125494.db2.gz UCLIBFPGSGTIFL-VIFPVBQESA-N 2 0 207.281 -0.618 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000616636495 351127238 /nfs/dbraw/zinc/12/72/38/351127238.db2.gz USDZKEDETYLRTI-NSHDSACASA-N 2 0 206.293 -0.013 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cccnn1 ZINC000616636617 351128220 /nfs/dbraw/zinc/12/82/20/351128220.db2.gz MTDQWSYTVCKAAF-SNVBAGLBSA-N 2 0 207.281 -0.618 10 0 BBAERP NC(=O)c1ccc([C@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616636853 351129378 /nfs/dbraw/zinc/12/93/78/351129378.db2.gz QBARMTGVSIFPJY-GFCCVEGCSA-N 2 0 248.330 -0.310 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1cncnc1 ZINC000616636882 351130280 /nfs/dbraw/zinc/13/02/80/351130280.db2.gz QSGRQUNACJZTBM-SNVBAGLBSA-N 2 0 207.281 -0.618 10 0 BBAERP CCOC(=O)N1CC[NH2+]C[C@@H]1CC[NH3+] ZINC000616637121 351133196 /nfs/dbraw/zinc/13/31/96/351133196.db2.gz SWRREQXFJGRUCF-QMMMGPOBSA-N 2 0 201.270 -0.235 10 0 BBAERP NC(=O)c1cccc([C@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616637177 351133554 /nfs/dbraw/zinc/13/35/54/351133554.db2.gz RPVNGFDBMPTLRU-GFCCVEGCSA-N 2 0 248.330 -0.310 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccccn1 ZINC000616637211 351133594 /nfs/dbraw/zinc/13/35/94/351133594.db2.gz SWKFUPQMAQBMIC-LLVKDONJSA-N 2 0 206.293 -0.013 10 0 BBAERP [NH3+]CCN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000616637265 351131143 /nfs/dbraw/zinc/13/11/43/351131143.db2.gz USDZKEDETYLRTI-LLVKDONJSA-N 2 0 206.293 -0.013 10 0 BBAERP Nc1cc([C@@H]2CN(CC[NH3+])CCO2)ccn1 ZINC000616647763 411287404 /nfs/dbraw/zinc/28/74/04/411287404.db2.gz ICBKBMJRZJPBSF-JTQLQIEISA-N 2 0 222.292 -0.004 10 0 BBAERP Nc1cc([C@H]2CN(CC[NH3+])CC[NH2+]2)ccn1 ZINC000616651976 411287097 /nfs/dbraw/zinc/28/70/97/411287097.db2.gz AQROMDDHFXLYOR-SNVBAGLBSA-N 2 0 221.308 -0.431 10 0 BBAERP Nc1ncccc1[C@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616652146 351189641 /nfs/dbraw/zinc/18/96/41/351189641.db2.gz CANDFFHCODJEDY-SNVBAGLBSA-N 2 0 221.308 -0.431 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000616654729 351196264 /nfs/dbraw/zinc/19/62/64/351196264.db2.gz OBHIVZVPKSZPDR-LLVKDONJSA-N 2 0 206.293 -0.013 10 0 BBAERP NC(=O)c1ccccc1[C@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616654757 351196776 /nfs/dbraw/zinc/19/67/76/351196776.db2.gz PFANZBVLTGFJBB-GFCCVEGCSA-N 2 0 248.330 -0.310 10 0 BBAERP NC(=O)c1cccc([C@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616656764 351197416 /nfs/dbraw/zinc/19/74/16/351197416.db2.gz SGXOHABCTRKFHY-GFCCVEGCSA-N 2 0 248.330 -0.310 10 0 BBAERP NC(=O)c1ccc([C@H]2CN(CC[NH3+])CC[NH2+]2)cc1 ZINC000616656878 351197213 /nfs/dbraw/zinc/19/72/13/351197213.db2.gz USLZOHHQYIDNMX-GFCCVEGCSA-N 2 0 248.330 -0.310 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@@H](c2cncnc2)C1 ZINC000616657006 351197303 /nfs/dbraw/zinc/19/73/03/351197303.db2.gz WZJUJBDUFXXPPX-SNVBAGLBSA-N 2 0 207.281 -0.618 10 0 BBAERP Nc1ccc([C@H]2CN(CC[NH3+])CC[NH2+]2)cn1 ZINC000616658127 411287337 /nfs/dbraw/zinc/28/73/37/411287337.db2.gz XSLWDRCFILMZIO-SNVBAGLBSA-N 2 0 221.308 -0.431 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000616658154 351200428 /nfs/dbraw/zinc/20/04/28/351200428.db2.gz XXQUDAMSDLRKLT-LLVKDONJSA-N 2 0 206.293 -0.013 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccnnc2)C1 ZINC000616658269 351199632 /nfs/dbraw/zinc/19/96/32/351199632.db2.gz ZJZKAGYDYDACJG-SNVBAGLBSA-N 2 0 207.281 -0.618 10 0 BBAERP [NH3+]CCN1CC[NH2+][C@@H](c2ccccn2)C1 ZINC000616658311 351203630 /nfs/dbraw/zinc/20/36/30/351203630.db2.gz ZXFJGELNMBCKOP-LLVKDONJSA-N 2 0 206.293 -0.013 10 0 BBAERP Nc1cccc([C@H]2CN(CC[NH3+])CC[NH2+]2)n1 ZINC000616658315 351204236 /nfs/dbraw/zinc/20/42/36/351204236.db2.gz ZXMUYZBQLYPDLY-SNVBAGLBSA-N 2 0 221.308 -0.431 10 0 BBAERP C[C@H]([NH2+]C[C@@H]1COCCN1C)[C@@H]1CC[NH2+]C1 ZINC000629532842 361155521 /nfs/dbraw/zinc/15/55/21/361155521.db2.gz VVMHNAFLUZITCF-QJPTWQEYSA-N 2 0 227.352 -0.095 10 0 BBAERP C[C@H]([NH2+]C[C@@H]1COCCN1C)[C@H]1CC[NH2+]C1 ZINC000629532843 361156346 /nfs/dbraw/zinc/15/63/46/361156346.db2.gz VVMHNAFLUZITCF-SDDRHHMPSA-N 2 0 227.352 -0.095 10 0 BBAERP C[C@H]([NH2+]C[C@H]1COCCN1C)[C@H]1CC[NH2+]C1 ZINC000629532844 361155490 /nfs/dbraw/zinc/15/54/90/361155490.db2.gz VVMHNAFLUZITCF-SRVKXCTJSA-N 2 0 227.352 -0.095 10 0 BBAERP C[C@H]([NH2+]C[C@H]1COCCN1C)[C@@H]1CC[NH2+]C1 ZINC000629532845 361155633 /nfs/dbraw/zinc/15/56/33/361155633.db2.gz VVMHNAFLUZITCF-TUAOUCFPSA-N 2 0 227.352 -0.095 10 0 BBAERP OCC1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629585366 361474506 /nfs/dbraw/zinc/47/45/06/361474506.db2.gz SZUSXRIPWQRRMC-HTAVTVPLSA-N 2 0 228.336 -0.196 10 0 BBAERP OCC1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629585367 361474514 /nfs/dbraw/zinc/47/45/14/361474514.db2.gz SZUSXRIPWQRRMC-MCIGGMRASA-N 2 0 228.336 -0.196 10 0 BBAERP O[C@H](C[NH2+][C@H]1CCOC[C@H]1O)C[NH+]1CCCC1 ZINC000629608045 361494978 /nfs/dbraw/zinc/49/49/78/361494978.db2.gz CJMZULMYVKXBEF-GRYCIOLGSA-N 2 0 244.335 -0.818 10 0 BBAERP O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)C[NH+]1CCCC1 ZINC000629608047 361496256 /nfs/dbraw/zinc/49/62/56/361496256.db2.gz CJMZULMYVKXBEF-UTUOFQBUSA-N 2 0 244.335 -0.818 10 0 BBAERP O[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)C[NH+]1CCCC1 ZINC000629608048 361495998 /nfs/dbraw/zinc/49/59/98/361495998.db2.gz CJMZULMYVKXBEF-WOPDTQHZSA-N 2 0 244.335 -0.818 10 0 BBAERP CO[C@@H]1CN(C(=O)C[NH+](C)C)[C@@](C)(C[NH3+])C1 ZINC000630374827 364088815 /nfs/dbraw/zinc/08/88/15/364088815.db2.gz OVEPKJKODAJGIE-GXSJLCMTSA-N 2 0 229.324 -0.487 10 0 BBAERP CO[C@H]1CN(C(=O)C[NH+](C)C)[C@](C)(C[NH3+])C1 ZINC000630374828 364089196 /nfs/dbraw/zinc/08/91/96/364089196.db2.gz OVEPKJKODAJGIE-KOLCDFICSA-N 2 0 229.324 -0.487 10 0 BBAERP CO[C@H]1CN(C(=O)C[NH+](C)C)[C@@](C)(C[NH3+])C1 ZINC000630374829 364088777 /nfs/dbraw/zinc/08/87/77/364088777.db2.gz OVEPKJKODAJGIE-MWLCHTKSSA-N 2 0 229.324 -0.487 10 0 BBAERP CO[C@@H]1CN(C(=O)C[NH+](C)C)[C@](C)(C[NH3+])C1 ZINC000630374830 364089035 /nfs/dbraw/zinc/08/90/35/364089035.db2.gz OVEPKJKODAJGIE-ONGXEEELSA-N 2 0 229.324 -0.487 10 0 BBAERP C[NH2+]CCOCCNc1cc[nH+]cc1C(N)=O ZINC000630530421 364218764 /nfs/dbraw/zinc/21/87/64/364218764.db2.gz JBTVRPOWDKRQJP-UHFFFAOYSA-N 2 0 238.291 -0.750 10 0 BBAERP CN(CCOCC[NH3+])c1cc[nH+]cc1C(N)=O ZINC000630535142 364229644 /nfs/dbraw/zinc/22/96/44/364229644.db2.gz CGNZXUUDGCHYEM-UHFFFAOYSA-N 2 0 238.291 -0.408 10 0 BBAERP C[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]cc1C(N)=O ZINC000630545396 364241812 /nfs/dbraw/zinc/24/18/12/364241812.db2.gz MLCGZIKJOLEODF-IONNQARKSA-N 2 0 220.276 -0.235 10 0 BBAERP C[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000631837161 372627543 /nfs/dbraw/zinc/62/75/43/372627543.db2.gz NQXSYTDNFMGOFU-UWVGGRQHSA-N 2 0 209.297 -0.195 10 0 BBAERP C[C@H]1C[N@H+](CCn2cncn2)C[C@H]1C[NH3+] ZINC000631837162 372618313 /nfs/dbraw/zinc/61/83/13/372618313.db2.gz NQXSYTDNFMGOFU-VHSXEESVSA-N 2 0 209.297 -0.195 10 0 BBAERP C[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1C[NH3+] ZINC000631837163 372618656 /nfs/dbraw/zinc/61/86/56/372618656.db2.gz NQXSYTDNFMGOFU-ZJUUUORDSA-N 2 0 209.297 -0.195 10 0 BBAERP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000631838336 372623163 /nfs/dbraw/zinc/62/31/63/372623163.db2.gz MMDMEPJPUOPUOC-KXUCPTDWSA-N 2 0 211.309 -0.256 10 0 BBAERP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1C[NH3+] ZINC000631838338 372625807 /nfs/dbraw/zinc/62/58/07/372625807.db2.gz MMDMEPJPUOPUOC-UTLUCORTSA-N 2 0 211.309 -0.256 10 0 BBAERP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838579 372631690 /nfs/dbraw/zinc/63/16/90/372631690.db2.gz QRJVCYBJDKTEHQ-BBBLOLIVSA-N 2 0 213.325 -0.010 10 0 BBAERP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838582 372631300 /nfs/dbraw/zinc/63/13/00/372631300.db2.gz QRJVCYBJDKTEHQ-UTLUCORTSA-N 2 0 213.325 -0.010 10 0 BBAERP C[C@H]1C[N@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000631838617 372634060 /nfs/dbraw/zinc/63/40/60/372634060.db2.gz RJYABOKFZAMFDQ-UWVGGRQHSA-N 2 0 213.325 -0.009 10 0 BBAERP C[C@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000631838618 372634397 /nfs/dbraw/zinc/63/43/97/372634397.db2.gz RJYABOKFZAMFDQ-VHSXEESVSA-N 2 0 213.325 -0.009 10 0 BBAERP C[C@@H]1C[N@H+](CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000631838619 372633669 /nfs/dbraw/zinc/63/36/69/372633669.db2.gz RJYABOKFZAMFDQ-ZJUUUORDSA-N 2 0 213.325 -0.009 10 0 BBAERP C[C@@H]1C[N@H+](CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000631839774 372635917 /nfs/dbraw/zinc/63/59/17/372635917.db2.gz KRWXUHBZBLWYEE-NEPJUHHUSA-N 2 0 227.352 -0.155 10 0 BBAERP C[C@H]1C[N@H+](CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000631839776 372635551 /nfs/dbraw/zinc/63/55/51/372635551.db2.gz KRWXUHBZBLWYEE-RYUDHWBXSA-N 2 0 227.352 -0.155 10 0 BBAERP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1C[NH3+] ZINC000631841887 372638114 /nfs/dbraw/zinc/63/81/14/372638114.db2.gz RLPTYBONXKQFHY-BDAKNGLRSA-N 2 0 240.307 -0.935 10 0 BBAERP C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C[NH3+] ZINC000631841888 372638846 /nfs/dbraw/zinc/63/88/46/372638846.db2.gz RLPTYBONXKQFHY-DTWKUNHWSA-N 2 0 240.307 -0.935 10 0 BBAERP C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1C[NH3+] ZINC000631841889 372638191 /nfs/dbraw/zinc/63/81/91/372638191.db2.gz RLPTYBONXKQFHY-IUCAKERBSA-N 2 0 240.307 -0.935 10 0 BBAERP O=C(N1CC[NH2+]CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735333 344121940 /nfs/dbraw/zinc/12/19/40/344121940.db2.gz CMYNCWOBCIDBFY-JQWIXIFHSA-N 2 0 223.320 -0.192 10 0 BBAERP [NH3+]CCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735386 344121908 /nfs/dbraw/zinc/12/19/08/344121908.db2.gz FXDWSVXAVRAHLS-ONGXEEELSA-N 2 0 211.309 -0.159 10 0 BBAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638081351 351957371 /nfs/dbraw/zinc/95/73/71/351957371.db2.gz YKZPCLCALXGYNC-GARJFASQSA-N 2 0 241.335 -0.297 10 0 BBAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638081352 351957288 /nfs/dbraw/zinc/95/72/88/351957288.db2.gz YKZPCLCALXGYNC-OUAUKWLOSA-N 2 0 241.335 -0.297 10 0 BBAERP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000638107697 351985042 /nfs/dbraw/zinc/98/50/42/351985042.db2.gz IXJNJRMTNGQJEB-AXFHLTTASA-N 2 0 239.319 -0.591 10 0 BBAERP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638107698 351984421 /nfs/dbraw/zinc/98/44/21/351984421.db2.gz IXJNJRMTNGQJEB-MXWKQRLJSA-N 2 0 239.319 -0.591 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638274170 352111636 /nfs/dbraw/zinc/11/16/36/352111636.db2.gz GFLMBYARCNAWNC-KXUCPTDWSA-N 2 0 227.308 -0.735 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638274171 352111831 /nfs/dbraw/zinc/11/18/31/352111831.db2.gz GFLMBYARCNAWNC-LPEHRKFASA-N 2 0 227.308 -0.735 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638274331 352111772 /nfs/dbraw/zinc/11/17/72/352111772.db2.gz HJDKTBDIWIPMJY-CMPLNLGQSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638274332 352111905 /nfs/dbraw/zinc/11/19/05/352111905.db2.gz HJDKTBDIWIPMJY-JQWIXIFHSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638274333 352111694 /nfs/dbraw/zinc/11/16/94/352111694.db2.gz HJDKTBDIWIPMJY-PWSUYJOCSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638274334 352111648 /nfs/dbraw/zinc/11/16/48/352111648.db2.gz HJDKTBDIWIPMJY-ZYHUDNBSSA-N 2 0 241.335 -0.473 10 0 BBAERP CN1CCO[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638277803 352114078 /nfs/dbraw/zinc/11/40/78/352114078.db2.gz VZRLZSBLMOAJSA-LLVKDONJSA-N 2 0 241.335 -0.567 10 0 BBAERP CN1CCO[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638277804 352113857 /nfs/dbraw/zinc/11/38/57/352113857.db2.gz VZRLZSBLMOAJSA-NSHDSACASA-N 2 0 241.335 -0.567 10 0 BBAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638529084 352362290 /nfs/dbraw/zinc/36/22/90/352362290.db2.gz ZISXVLWYVUHUMN-GHMZBOCLSA-N 2 0 241.335 -0.567 10 0 BBAERP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638529085 352361837 /nfs/dbraw/zinc/36/18/37/352361837.db2.gz ZISXVLWYVUHUMN-WDEREUQCSA-N 2 0 241.335 -0.567 10 0 BBAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1COCCN1C ZINC000638612332 352452109 /nfs/dbraw/zinc/45/21/09/352452109.db2.gz UQMLCYZSAQFMAD-GARJFASQSA-N 2 0 243.351 -0.193 10 0 BBAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000638612335 352452024 /nfs/dbraw/zinc/45/20/24/352452024.db2.gz UQMLCYZSAQFMAD-HBNTYKKESA-N 2 0 243.351 -0.193 10 0 BBAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638729338 386649157 /nfs/dbraw/zinc/64/91/57/386649157.db2.gz ZISXVLWYVUHUMN-MNOVXSKESA-N 2 0 241.335 -0.567 10 0 BBAERP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638729339 386648999 /nfs/dbraw/zinc/64/89/99/386648999.db2.gz ZISXVLWYVUHUMN-QWRGUYRKSA-N 2 0 241.335 -0.567 10 0 BBAERP C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643767965 385048931 /nfs/dbraw/zinc/04/89/31/385048931.db2.gz KCZWORZKHYCGFX-LLVKDONJSA-N 2 0 241.335 -0.614 10 0 BBAERP C[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643767966 385050822 /nfs/dbraw/zinc/05/08/22/385050822.db2.gz KCZWORZKHYCGFX-NSHDSACASA-N 2 0 241.335 -0.614 10 0 BBAERP COC[C@@]1(C(=O)NCC[NH+](C)C)CCC[NH2+]1 ZINC000643770542 385184152 /nfs/dbraw/zinc/18/41/52/385184152.db2.gz LFBPVVFKYDHKKO-LLVKDONJSA-N 2 0 229.324 -0.567 10 0 BBAERP COC[C@]1(C(=O)NCC[NH+](C)C)CCC[NH2+]1 ZINC000643770543 385185176 /nfs/dbraw/zinc/18/51/76/385185176.db2.gz LFBPVVFKYDHKKO-NSHDSACASA-N 2 0 229.324 -0.567 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643777438 383934135 /nfs/dbraw/zinc/93/41/35/383934135.db2.gz JINSNNDWGVTUGI-GHMZBOCLSA-N 2 0 241.335 -0.615 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643777439 383934469 /nfs/dbraw/zinc/93/44/69/383934469.db2.gz JINSNNDWGVTUGI-MNOVXSKESA-N 2 0 241.335 -0.615 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643777440 383935568 /nfs/dbraw/zinc/93/55/68/383935568.db2.gz JINSNNDWGVTUGI-QWRGUYRKSA-N 2 0 241.335 -0.615 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643777441 383933834 /nfs/dbraw/zinc/93/38/34/383933834.db2.gz JINSNNDWGVTUGI-WDEREUQCSA-N 2 0 241.335 -0.615 10 0 BBAERP C[NH2+]CCCN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643801523 385120834 /nfs/dbraw/zinc/12/08/34/385120834.db2.gz JZXVXLIQZXOVPK-JTQLQIEISA-N 2 0 229.324 -0.710 10 0 BBAERP C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643801524 385120894 /nfs/dbraw/zinc/12/08/94/385120894.db2.gz JZXVXLIQZXOVPK-SNVBAGLBSA-N 2 0 229.324 -0.710 10 0 BBAERP C[NH2+]CCCN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643801658 385120147 /nfs/dbraw/zinc/12/01/47/385120147.db2.gz RTEVHNRSDCSVPR-GFCCVEGCSA-N 2 0 243.351 -0.177 10 0 BBAERP C[NH2+]CCCN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643801659 385120070 /nfs/dbraw/zinc/12/00/70/385120070.db2.gz RTEVHNRSDCSVPR-LBPRGKRZSA-N 2 0 243.351 -0.177 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000645684896 387269567 /nfs/dbraw/zinc/26/95/67/387269567.db2.gz LYEPAZVCWNHYBG-LPEHRKFASA-N 2 0 229.299 -0.103 10 0 BBAERP COC[C@@]1(C(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000647609535 384939351 /nfs/dbraw/zinc/93/93/51/384939351.db2.gz LFOODKDDHDSMTR-LLVKDONJSA-N 2 0 227.308 -0.813 10 0 BBAERP COC[C@]1(C(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000647609536 384938618 /nfs/dbraw/zinc/93/86/18/384938618.db2.gz LFOODKDDHDSMTR-NSHDSACASA-N 2 0 227.308 -0.813 10 0 BBAERP COCCC1(C(=O)NCCC[NH3+])CC[NH2+]CC1 ZINC000647610981 384949895 /nfs/dbraw/zinc/94/98/95/384949895.db2.gz KWPBRDXSMGIWQD-UHFFFAOYSA-N 2 0 243.351 -0.142 10 0 BBAERP COC[C@]1(C(=O)NCCC[NH3+])CCC[NH2+]1 ZINC000647611001 384949104 /nfs/dbraw/zinc/94/91/04/384949104.db2.gz PZPUWHYBRZBKCL-JTQLQIEISA-N 2 0 215.297 -0.780 10 0 BBAERP COC[C@@]1(C(=O)NCCC[NH3+])CCC[NH2+]1 ZINC000647611002 384949172 /nfs/dbraw/zinc/94/91/72/384949172.db2.gz PZPUWHYBRZBKCL-SNVBAGLBSA-N 2 0 215.297 -0.780 10 0 BBAERP O=C([C@H]1C[NH2+]CCOC1)N1CCC[NH2+]CC1 ZINC000647615067 384966971 /nfs/dbraw/zinc/96/69/71/384966971.db2.gz BFUZSYMLJFQSGV-JTQLQIEISA-N 2 0 227.308 -0.956 10 0 BBAERP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[NH2+]CC1 ZINC000647615068 384968523 /nfs/dbraw/zinc/96/85/23/384968523.db2.gz BFUZSYMLJFQSGV-SNVBAGLBSA-N 2 0 227.308 -0.956 10 0 BBAERP COC[C@@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000647615186 384967541 /nfs/dbraw/zinc/96/75/41/384967541.db2.gz PXBRKOBRBGFICF-GFCCVEGCSA-N 2 0 241.335 -0.423 10 0 BBAERP COC[C@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000647615187 384966807 /nfs/dbraw/zinc/96/68/07/384966807.db2.gz PXBRKOBRBGFICF-LBPRGKRZSA-N 2 0 241.335 -0.423 10 0 BBAERP [NH3+]C1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000647727027 385699221 /nfs/dbraw/zinc/69/92/21/385699221.db2.gz CALNQTHHPKJKPM-KPPDAEKUSA-N 2 0 241.335 -0.392 10 0 BBAERP [NH3+]C1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000647727028 385699561 /nfs/dbraw/zinc/69/95/61/385699561.db2.gz CALNQTHHPKJKPM-WHXUTIOJSA-N 2 0 241.335 -0.392 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]12 ZINC000647908180 386740880 /nfs/dbraw/zinc/74/08/80/386740880.db2.gz DKUOSTFAIBELMB-KYXWUPHJSA-N 2 0 209.293 -0.456 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]12 ZINC000647908181 386740742 /nfs/dbraw/zinc/74/07/42/386740742.db2.gz DKUOSTFAIBELMB-RGOKHQFPSA-N 2 0 209.293 -0.456 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]12 ZINC000647908182 386741278 /nfs/dbraw/zinc/74/12/78/386741278.db2.gz DKUOSTFAIBELMB-UTINFBMNSA-N 2 0 209.293 -0.456 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]12 ZINC000647908183 386742002 /nfs/dbraw/zinc/74/20/02/386742002.db2.gz DKUOSTFAIBELMB-ZYUZMQFOSA-N 2 0 209.293 -0.456 10 0 BBAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](O)C[C@@H]1CO ZINC000647971740 386510747 /nfs/dbraw/zinc/51/07/47/386510747.db2.gz VINHKIMBEVZPCQ-UTUOFQBUSA-N 2 0 246.351 -0.885 10 0 BBAERP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@@H]1CO ZINC000647971741 386509689 /nfs/dbraw/zinc/50/96/89/386509689.db2.gz VINHKIMBEVZPCQ-WOPDTQHZSA-N 2 0 246.351 -0.885 10 0 BBAERP CC[NH+](CC)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649275146 388493809 /nfs/dbraw/zinc/49/38/09/388493809.db2.gz IXIUXPKTIOKDHK-LLVKDONJSA-N 2 0 243.351 -0.320 10 0 BBAERP CC[NH+](CC)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649275147 388494448 /nfs/dbraw/zinc/49/44/48/388494448.db2.gz IXIUXPKTIOKDHK-NSHDSACASA-N 2 0 243.351 -0.320 10 0 BBAERP C[NH+](C)CCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649276328 388495986 /nfs/dbraw/zinc/49/59/86/388495986.db2.gz NKFZEACOPXEJGY-JTQLQIEISA-N 2 0 229.324 -0.710 10 0 BBAERP C[NH+](C)CCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649276329 388495990 /nfs/dbraw/zinc/49/59/90/388495990.db2.gz NKFZEACOPXEJGY-SNVBAGLBSA-N 2 0 229.324 -0.710 10 0 BBAERP COC[C@@]1(C(=O)NCCC[NH+](C)C)CCC[NH2+]1 ZINC000649276428 388496029 /nfs/dbraw/zinc/49/60/29/388496029.db2.gz ZASYFVAJFJLHGU-GFCCVEGCSA-N 2 0 243.351 -0.177 10 0 BBAERP COC[C@]1(C(=O)NCCC[NH+](C)C)CCC[NH2+]1 ZINC000649276429 388496260 /nfs/dbraw/zinc/49/62/60/388496260.db2.gz ZASYFVAJFJLHGU-LBPRGKRZSA-N 2 0 243.351 -0.177 10 0 BBAERP C[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649277646 388501563 /nfs/dbraw/zinc/50/15/63/388501563.db2.gz NARCHIWITMUGOJ-JTQLQIEISA-N 2 0 241.335 -0.567 10 0 BBAERP C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649277647 388501545 /nfs/dbraw/zinc/50/15/45/388501545.db2.gz NARCHIWITMUGOJ-SNVBAGLBSA-N 2 0 241.335 -0.567 10 0 BBAERP C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649278062 388502265 /nfs/dbraw/zinc/50/22/65/388502265.db2.gz ISGBVBXEWMHDIN-JTQLQIEISA-N 2 0 243.351 -0.321 10 0 BBAERP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649278063 388502763 /nfs/dbraw/zinc/50/27/63/388502763.db2.gz ISGBVBXEWMHDIN-SNVBAGLBSA-N 2 0 243.351 -0.321 10 0 BBAERP O=C(NCC[NH+]1CCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000649280717 388514784 /nfs/dbraw/zinc/51/47/84/388514784.db2.gz HNXDOTJSZMVORM-LLVKDONJSA-N 2 0 241.335 -0.566 10 0 BBAERP O=C(NCC[NH+]1CCCC1)[C@H]1C[NH2+]CCOC1 ZINC000649280718 388514604 /nfs/dbraw/zinc/51/46/04/388514604.db2.gz HNXDOTJSZMVORM-NSHDSACASA-N 2 0 241.335 -0.566 10 0 BBAERP C[NH+](C)CCCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649295388 388573149 /nfs/dbraw/zinc/57/31/49/388573149.db2.gz GJJQOVZCPJTQLF-LLVKDONJSA-N 2 0 243.351 -0.320 10 0 BBAERP C[NH+](C)CCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649295389 388573690 /nfs/dbraw/zinc/57/36/90/388573690.db2.gz GJJQOVZCPJTQLF-NSHDSACASA-N 2 0 243.351 -0.320 10 0 BBAERP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649298075 388576618 /nfs/dbraw/zinc/57/66/18/388576618.db2.gz OSVZIXHSWPPHQI-GHMZBOCLSA-N 2 0 241.335 -0.710 10 0 BBAERP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649298076 388576963 /nfs/dbraw/zinc/57/69/63/388576963.db2.gz OSVZIXHSWPPHQI-MNOVXSKESA-N 2 0 241.335 -0.710 10 0 BBAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649298077 388576486 /nfs/dbraw/zinc/57/64/86/388576486.db2.gz OSVZIXHSWPPHQI-QWRGUYRKSA-N 2 0 241.335 -0.710 10 0 BBAERP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649298078 388576801 /nfs/dbraw/zinc/57/68/01/388576801.db2.gz OSVZIXHSWPPHQI-WDEREUQCSA-N 2 0 241.335 -0.710 10 0 BBAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304913 388589262 /nfs/dbraw/zinc/58/92/62/388589262.db2.gz MMZUMRZJSHBQEK-GHMZBOCLSA-N 2 0 241.335 -0.567 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304914 388589157 /nfs/dbraw/zinc/58/91/57/388589157.db2.gz MMZUMRZJSHBQEK-MNOVXSKESA-N 2 0 241.335 -0.567 10 0 BBAERP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304915 388589011 /nfs/dbraw/zinc/58/90/11/388589011.db2.gz MMZUMRZJSHBQEK-QWRGUYRKSA-N 2 0 241.335 -0.567 10 0 BBAERP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304916 388589468 /nfs/dbraw/zinc/58/94/68/388589468.db2.gz MMZUMRZJSHBQEK-WDEREUQCSA-N 2 0 241.335 -0.567 10 0 BBAERP COC[C@@]1(C(=O)NC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000649305905 388590315 /nfs/dbraw/zinc/59/03/15/388590315.db2.gz LOUIHPDDEHIHOG-CMPLNLGQSA-N 2 0 243.351 -0.179 10 0 BBAERP COC[C@]1(C(=O)NC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000649305906 388590438 /nfs/dbraw/zinc/59/04/38/388590438.db2.gz LOUIHPDDEHIHOG-JQWIXIFHSA-N 2 0 243.351 -0.179 10 0 BBAERP COC[C@]1(C(=O)NC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000649305907 388590164 /nfs/dbraw/zinc/59/01/64/388590164.db2.gz LOUIHPDDEHIHOG-PWSUYJOCSA-N 2 0 243.351 -0.179 10 0 BBAERP COC[C@@]1(C(=O)NC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000649305908 388590826 /nfs/dbraw/zinc/59/08/26/388590826.db2.gz LOUIHPDDEHIHOG-ZYHUDNBSSA-N 2 0 243.351 -0.179 10 0 BBAERP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000649306040 388590501 /nfs/dbraw/zinc/59/05/01/388590501.db2.gz WQCZFWNDCMDYCM-NXEZZACHSA-N 2 0 229.324 -0.711 10 0 BBAERP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000649306041 388590762 /nfs/dbraw/zinc/59/07/62/388590762.db2.gz WQCZFWNDCMDYCM-UWVGGRQHSA-N 2 0 229.324 -0.711 10 0 BBAERP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000649306042 388590310 /nfs/dbraw/zinc/59/03/10/388590310.db2.gz WQCZFWNDCMDYCM-VHSXEESVSA-N 2 0 229.324 -0.711 10 0 BBAERP C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000649306043 388590780 /nfs/dbraw/zinc/59/07/80/388590780.db2.gz WQCZFWNDCMDYCM-ZJUUUORDSA-N 2 0 229.324 -0.711 10 0 BBAERP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000649307800 388593536 /nfs/dbraw/zinc/59/35/36/388593536.db2.gz MMZNMZBUYAENOO-JTQLQIEISA-N 2 0 241.335 -0.567 10 0 BBAERP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000649307801 388593660 /nfs/dbraw/zinc/59/36/60/388593660.db2.gz MMZNMZBUYAENOO-SNVBAGLBSA-N 2 0 241.335 -0.567 10 0 BBAERP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649308730 388594825 /nfs/dbraw/zinc/59/48/25/388594825.db2.gz XWLHUHORLOIEAO-GHMZBOCLSA-N 2 0 243.351 -0.321 10 0 BBAERP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649308731 388595026 /nfs/dbraw/zinc/59/50/26/388595026.db2.gz XWLHUHORLOIEAO-MNOVXSKESA-N 2 0 243.351 -0.321 10 0 BBAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649308732 388594902 /nfs/dbraw/zinc/59/49/02/388594902.db2.gz XWLHUHORLOIEAO-QWRGUYRKSA-N 2 0 243.351 -0.321 10 0 BBAERP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649308733 388594498 /nfs/dbraw/zinc/59/44/98/388594498.db2.gz XWLHUHORLOIEAO-WDEREUQCSA-N 2 0 243.351 -0.321 10 0 BBAERP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649318404 398142828 /nfs/dbraw/zinc/14/28/28/398142828.db2.gz GPARZPKILCWJQE-LLVKDONJSA-N 2 0 243.351 -0.321 10 0 BBAERP CC(C)[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649318405 398142548 /nfs/dbraw/zinc/14/25/48/398142548.db2.gz GPARZPKILCWJQE-NSHDSACASA-N 2 0 243.351 -0.321 10 0 BBAERP [NH3+]CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653043543 411401551 /nfs/dbraw/zinc/40/15/51/411401551.db2.gz ABQWTFPNHLUNNJ-RNFRBKRXSA-N 2 0 239.241 -0.151 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000662632526 409804695 /nfs/dbraw/zinc/80/46/95/409804695.db2.gz DJYREUNXRREJPN-DTWKUNHWSA-N 2 0 217.313 -0.584 10 0 BBAERP COC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632528 409803916 /nfs/dbraw/zinc/80/39/16/409803916.db2.gz DJYREUNXRREJPN-RKDXNWHRSA-N 2 0 217.313 -0.584 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662787687 412302746 /nfs/dbraw/zinc/30/27/46/412302746.db2.gz BCRQVQSYCOMMKU-GUBZILKMSA-N 2 0 211.309 -0.114 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662787688 412303195 /nfs/dbraw/zinc/30/31/95/412303195.db2.gz BCRQVQSYCOMMKU-OPRDCNLKSA-N 2 0 211.309 -0.114 10 0 BBAERP C[C@H](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+](C)C ZINC000662858325 412326967 /nfs/dbraw/zinc/32/69/67/412326967.db2.gz GGPIDOTVTPRPGO-OPRDCNLKSA-N 2 0 229.324 -0.834 10 0 BBAERP C[C@H](CCNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000662858852 412327335 /nfs/dbraw/zinc/32/73/35/412327335.db2.gz IVJVMMYIFLIJQQ-GHMZBOCLSA-N 2 0 243.351 -0.321 10 0 BBAERP C[C@H](CCNC(=O)[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000662858853 412326731 /nfs/dbraw/zinc/32/67/31/412326731.db2.gz IVJVMMYIFLIJQQ-MNOVXSKESA-N 2 0 243.351 -0.321 10 0 BBAERP C[C@@H](CCNC(=O)[C@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000662858854 412327192 /nfs/dbraw/zinc/32/71/92/412327192.db2.gz IVJVMMYIFLIJQQ-QWRGUYRKSA-N 2 0 243.351 -0.321 10 0 BBAERP C[C@@H](CCNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+](C)C ZINC000662858855 412326602 /nfs/dbraw/zinc/32/66/02/412326602.db2.gz IVJVMMYIFLIJQQ-WDEREUQCSA-N 2 0 243.351 -0.321 10 0 BBAERP C[C@@H](CCNC(=O)C1([NH3+])CCOCC1)[NH+](C)C ZINC000662861088 412327750 /nfs/dbraw/zinc/32/77/50/412327750.db2.gz XDRCUKZNGZYMGK-JTQLQIEISA-N 2 0 243.351 -0.049 10 0 BBAERP C[C@H](CCNC(=O)C1([NH3+])CCOCC1)[NH+](C)C ZINC000662861089 412327714 /nfs/dbraw/zinc/32/77/14/412327714.db2.gz XDRCUKZNGZYMGK-SNVBAGLBSA-N 2 0 243.351 -0.049 10 0 BBAERP CN(C(=O)C[NH+](C)C)[C@@H](C[NH3+])C(F)(F)F ZINC000662985559 487789563 /nfs/dbraw/zinc/78/95/63/487789563.db2.gz XKQOLJUPMLVSHI-LURJTMIESA-N 2 0 227.230 -0.104 10 0 BBAERP CN(C(=O)C[NH+](C)C)[C@H](C[NH3+])C(F)(F)F ZINC000662985560 487789553 /nfs/dbraw/zinc/78/95/53/487789553.db2.gz XKQOLJUPMLVSHI-ZCFIWIBFSA-N 2 0 227.230 -0.104 10 0 BBAERP NC(=O)c1c[nH+]ccc1NCC12CC(C1)C[NH2+]2 ZINC000663273714 412404605 /nfs/dbraw/zinc/40/46/05/412404605.db2.gz FZVZNNKLJDOWAP-UHFFFAOYSA-N 2 0 232.287 -0.234 10 0 BBAERP C[NH2+]C[C@@H](C)Nc1cc[nH+]cc1C(N)=O ZINC000663278215 412407439 /nfs/dbraw/zinc/40/74/39/412407439.db2.gz DNOVQQNFMBSSLA-SSDOTTSWSA-N 2 0 208.265 -0.378 10 0 BBAERP C[C@H]([NH2+][C@H]1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000665229504 412168869 /nfs/dbraw/zinc/16/88/69/412168869.db2.gz ZYCSYMZWWUHLIF-AEJSXWLSSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]([NH2+][C@H]1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000665229505 412168884 /nfs/dbraw/zinc/16/88/84/412168884.db2.gz ZYCSYMZWWUHLIF-GUBZILKMSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]([NH2+][C@@H]1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000665229506 412167397 /nfs/dbraw/zinc/16/73/97/412167397.db2.gz ZYCSYMZWWUHLIF-IVZWLZJFSA-N 2 0 211.309 -0.147 10 0 BBAERP C[C@H]([NH2+][C@@H]1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000665229507 412168405 /nfs/dbraw/zinc/16/84/05/412168405.db2.gz ZYCSYMZWWUHLIF-LPEHRKFASA-N 2 0 211.309 -0.147 10 0 BBAERP CN(CCC[NH2+]C1CC[NH2+]CC1)S(C)(=O)=O ZINC000665230054 412167784 /nfs/dbraw/zinc/16/77/84/412167784.db2.gz ICHPJZJJLPKETF-UHFFFAOYSA-N 2 0 249.380 -0.391 10 0 BBAERP COC[C@@H](CCN[C@@H]1CC[NH2+]C1)OC ZINC000665235664 412173436 /nfs/dbraw/zinc/17/34/36/412173436.db2.gz YGVFDFUFTCOGTF-NXEZZACHSA-N 2 0 202.298 -0.011 10 0 BBAERP COC[C@H](CCN[C@@H]1CC[NH2+]C1)OC ZINC000665235667 412173666 /nfs/dbraw/zinc/17/36/66/412173666.db2.gz YGVFDFUFTCOGTF-ZJUUUORDSA-N 2 0 202.298 -0.011 10 0 BBAERP C[NH+](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669371913 537948146 /nfs/dbraw/zinc/94/81/46/537948146.db2.gz FEYPBSYLFDOMDL-RNFRBKRXSA-N 2 0 239.241 -0.186 10 0 BBAERP C[NH+](C)CCn1ncc2c1nc[nH+]c2NN ZINC000669377228 541436538 /nfs/dbraw/zinc/43/65/38/541436538.db2.gz KFHQHUPIWSIMCY-UHFFFAOYSA-N 2 0 221.268 -0.327 10 0 BBAERP C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@@H](C[NH3+])C2)CC1 ZINC000669378343 537968278 /nfs/dbraw/zinc/96/82/78/537968278.db2.gz APVCGOHQORNGMB-NEPJUHHUSA-N 3 0 226.368 -0.582 10 0 BBAERP C[NH+]1CCN(C[C@H]2C[NH2+]C[C@H](C[NH3+])C2)CC1 ZINC000669378344 537968345 /nfs/dbraw/zinc/96/83/45/537968345.db2.gz APVCGOHQORNGMB-NWDGAFQWSA-N 3 0 226.368 -0.582 10 0 BBAERP C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H](C[NH3+])C2)CC1 ZINC000669378345 537968706 /nfs/dbraw/zinc/96/87/06/537968706.db2.gz APVCGOHQORNGMB-RYUDHWBXSA-N 3 0 226.368 -0.582 10 0 BBAERP C[NH+]1CCN(C[C@H]2C[NH2+]C[C@@H](C[NH3+])C2)CC1 ZINC000669378346 537968216 /nfs/dbraw/zinc/96/82/16/537968216.db2.gz APVCGOHQORNGMB-VXGBXAGGSA-N 3 0 226.368 -0.582 10 0 BBAERP [NH3+]C[C@@H]1C[NH2+]C[C@H](CN2CC[NH2+]CC2)C1 ZINC000669378812 537970364 /nfs/dbraw/zinc/97/03/64/537970364.db2.gz OHRSICJBXQYGKV-GHMZBOCLSA-N 3 0 212.341 -0.924 10 0 BBAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H](CN2CC[NH2+]CC2)C1 ZINC000669378813 537970953 /nfs/dbraw/zinc/97/09/53/537970953.db2.gz OHRSICJBXQYGKV-MNOVXSKESA-N 3 0 212.341 -0.924 10 0 BBAERP [NH3+]C[C@H]1C[NH2+]C[C@@H](CN2CC[NH2+]CC2)C1 ZINC000669378814 537970659 /nfs/dbraw/zinc/97/06/59/537970659.db2.gz OHRSICJBXQYGKV-QWRGUYRKSA-N 3 0 212.341 -0.924 10 0 BBAERP [NH3+]C[C@H]1C[NH2+]C[C@H](CN2CC[NH2+]CC2)C1 ZINC000669378815 537970230 /nfs/dbraw/zinc/97/02/30/537970230.db2.gz OHRSICJBXQYGKV-WDEREUQCSA-N 3 0 212.341 -0.924 10 0 BBAERP [NH3+]Cc1cncc(CN2CC[NH2+]CC2)c1 ZINC000669379006 537972778 /nfs/dbraw/zinc/97/27/78/537972778.db2.gz RZTWEBCEEMHUNG-UHFFFAOYSA-N 2 0 206.293 -0.055 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C[NH+](C)C ZINC000669379173 537975548 /nfs/dbraw/zinc/97/55/48/537975548.db2.gz VNEODBVACLCCGZ-NXEZZACHSA-N 2 0 213.325 -0.090 10 0 BBAERP [NH3+]C[C@@H]1C[NH2+]C[C@H](CN2CCOCC2)C1 ZINC000669379211 537975967 /nfs/dbraw/zinc/97/59/67/537975967.db2.gz XLSGSZGOEUBWNK-GHMZBOCLSA-N 2 0 213.325 -0.497 10 0 BBAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H](CN2CCOCC2)C1 ZINC000669379213 537976912 /nfs/dbraw/zinc/97/69/12/537976912.db2.gz XLSGSZGOEUBWNK-MNOVXSKESA-N 2 0 213.325 -0.497 10 0 BBAERP [NH3+]C[C@H]1C[NH2+]C[C@@H](CN2CCOCC2)C1 ZINC000669379214 537977344 /nfs/dbraw/zinc/97/73/44/537977344.db2.gz XLSGSZGOEUBWNK-QWRGUYRKSA-N 2 0 213.325 -0.497 10 0 BBAERP [NH3+]C[C@H]1C[NH2+]C[C@H](CN2CCOCC2)C1 ZINC000669379215 537977768 /nfs/dbraw/zinc/97/77/68/537977768.db2.gz XLSGSZGOEUBWNK-WDEREUQCSA-N 2 0 213.325 -0.497 10 0 BBAERP C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1CC[NH3+] ZINC000669379227 537974251 /nfs/dbraw/zinc/97/42/51/537974251.db2.gz XZJCIRVPQCSAMT-NXEZZACHSA-N 2 0 213.325 -0.009 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669379378 537979313 /nfs/dbraw/zinc/97/93/13/537979313.db2.gz ZJJPADWOQUAMDD-GRYCIOLGSA-N 3 0 226.368 -0.536 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669379380 537980114 /nfs/dbraw/zinc/98/01/14/537980114.db2.gz ZJJPADWOQUAMDD-IJLUTSLNSA-N 3 0 226.368 -0.536 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669379381 537979544 /nfs/dbraw/zinc/97/95/44/537979544.db2.gz ZJJPADWOQUAMDD-UTUOFQBUSA-N 3 0 226.368 -0.536 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669379382 537979325 /nfs/dbraw/zinc/97/93/25/537979325.db2.gz ZJJPADWOQUAMDD-WOPDTQHZSA-N 3 0 226.368 -0.536 10 0 BBAERP C[NH+](C)CC(=O)NC1CCN(CC[NH3+])CC1 ZINC000669380062 537985686 /nfs/dbraw/zinc/98/56/86/537985686.db2.gz HGCDSPIVMZKIPC-UHFFFAOYSA-N 2 0 228.340 -0.913 10 0 BBAERP COCC[NH+]1CCN(C[C@H]2CC[NH2+]2)CC1 ZINC000669380216 537987650 /nfs/dbraw/zinc/98/76/50/537987650.db2.gz VSCKESDWIIRTBF-LLVKDONJSA-N 2 0 213.325 -0.388 10 0 BBAERP COCC[NH+]1CCN(C[C@@H]2CC[NH2+]2)CC1 ZINC000669380217 537986552 /nfs/dbraw/zinc/98/65/52/537986552.db2.gz VSCKESDWIIRTBF-NSHDSACASA-N 2 0 213.325 -0.388 10 0 BBAERP C[NH+](C)CC(=O)NCCN1CCC([NH3+])CC1 ZINC000669380285 537986935 /nfs/dbraw/zinc/98/69/35/537986935.db2.gz KMKOZUAMJAPMPB-UHFFFAOYSA-N 2 0 228.340 -0.913 10 0 BBAERP [NH3+]CCCn1cc([C@H]2C[NH2+]CCO2)nn1 ZINC000669381232 566425770 /nfs/dbraw/zinc/42/57/70/566425770.db2.gz CKMMVNKJRITWDK-SECBINFHSA-N 2 0 211.269 -0.712 10 0 BBAERP [NH3+]CCCn1cc([C@@H]2C[NH2+]CCO2)nn1 ZINC000669381233 566425748 /nfs/dbraw/zinc/42/57/48/566425748.db2.gz CKMMVNKJRITWDK-VIFPVBQESA-N 2 0 211.269 -0.712 10 0 BBAERP C[NH+](C)CCn1cc([C@@H]2C[NH2+]CCO2)nn1 ZINC000669381527 537998749 /nfs/dbraw/zinc/99/87/49/537998749.db2.gz MRSRTPFKDJKENU-JTQLQIEISA-N 2 0 225.296 -0.499 10 0 BBAERP C[NH+](C)CCn1cc([C@H]2C[NH2+]CCO2)nn1 ZINC000669381528 537997469 /nfs/dbraw/zinc/99/74/69/537997469.db2.gz MRSRTPFKDJKENU-SNVBAGLBSA-N 2 0 225.296 -0.499 10 0 BBAERP C[NH2+]C1(CNC(=O)C[NH+](C)C)CCOCC1 ZINC000669381900 537995655 /nfs/dbraw/zinc/99/56/55/537995655.db2.gz ZRJBGAGYCBZBHG-UHFFFAOYSA-N 2 0 229.324 -0.567 10 0 BBAERP COCCN1CC[NH+](C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000675052954 537861222 /nfs/dbraw/zinc/86/12/22/537861222.db2.gz CNUPUXPWURLSDZ-HAQNSBGRSA-N 2 0 227.352 -0.012 10 0 BBAERP CN(C(=O)C[NH+](C)C)C1(C[NH3+])CCOCC1 ZINC000675053832 541433101 /nfs/dbraw/zinc/43/31/01/541433101.db2.gz NBUGCSZXJXCWCG-UHFFFAOYSA-N 2 0 229.324 -0.486 10 0 BBAERP C[NH+](C)CC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675053906 541433165 /nfs/dbraw/zinc/43/31/65/541433165.db2.gz ALCJEHQMOJWHDY-UHFFFAOYSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)CC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675053931 541433330 /nfs/dbraw/zinc/43/33/30/541433330.db2.gz BEULJPRJUZYQAL-UHFFFAOYSA-N 2 0 241.335 -0.473 10 0 BBAERP C[NH+](C)CC(=O)N1CC([NH2+]C2CCC2)C1 ZINC000675054285 636367379 /nfs/dbraw/zinc/36/73/79/636367379.db2.gz FTFFNTLBZYVJEE-UHFFFAOYSA-N 2 0 211.309 -0.099 10 0 BBAERP CO[C@@H]1C[NH2+][C@H](CN2CC[NH2+]C[C@@H]2C)C1 ZINC000675054856 537976865 /nfs/dbraw/zinc/97/68/65/537976865.db2.gz KLSZGSUGQCFUIY-DCAQKATOSA-N 2 0 213.325 -0.343 10 0 BBAERP CO[C@@H]1C[NH2+][C@H](CN2CC[NH2+]C[C@H]2C)C1 ZINC000675054857 537978303 /nfs/dbraw/zinc/97/83/03/537978303.db2.gz KLSZGSUGQCFUIY-VWYCJHECSA-N 2 0 213.325 -0.343 10 0 BBAERP Cn1ncc(C[NH3+])c1CN1CC[NH+](C)CC1 ZINC000675056472 538478368 /nfs/dbraw/zinc/47/83/68/538478368.db2.gz QXICLDGZFYZINB-UHFFFAOYSA-N 2 0 223.324 -0.374 10 0 BBAERP Cn1ncc(C[NH3+])c1CN1CC[NH2+]CC1 ZINC000675056724 538478965 /nfs/dbraw/zinc/47/89/65/538478965.db2.gz WCDRZSZLAICCDF-UHFFFAOYSA-N 2 0 209.297 -0.716 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056829 538479068 /nfs/dbraw/zinc/47/90/68/538479068.db2.gz PZADERNAZAUCSW-UWVGGRQHSA-N 2 0 211.309 -0.242 10 0 BBAERP C[C@@H]1C[NH2+]CCN1Cc1c(C[NH3+])cnn1C ZINC000675056866 538478712 /nfs/dbraw/zinc/47/87/12/538478712.db2.gz XKRYRKYZJALXOM-SECBINFHSA-N 2 0 223.324 -0.328 10 0 BBAERP C[C@H]1C[NH2+]CCN1Cc1c(C[NH3+])cnn1C ZINC000675056867 538478941 /nfs/dbraw/zinc/47/89/41/538478941.db2.gz XKRYRKYZJALXOM-VIFPVBQESA-N 2 0 223.324 -0.328 10 0 BBAERP CC[C@@]1(C[NH3+])CN(C(=O)C[NH+](C)C)CCO1 ZINC000675059018 538483200 /nfs/dbraw/zinc/48/32/00/538483200.db2.gz GTRIQKHCOUBDOM-LLVKDONJSA-N 2 0 229.324 -0.486 10 0 BBAERP CC[C@]1(C[NH3+])CN(C(=O)C[NH+](C)C)CCO1 ZINC000675059019 538483558 /nfs/dbraw/zinc/48/35/58/538483558.db2.gz GTRIQKHCOUBDOM-NSHDSACASA-N 2 0 229.324 -0.486 10 0 BBAERP CCC[C@]1(CNC(=O)C[NH+](C)C)C[NH2+]CCO1 ZINC000675059117 538483702 /nfs/dbraw/zinc/48/37/02/538483702.db2.gz KULMWERFOAIPLV-GFCCVEGCSA-N 2 0 243.351 -0.177 10 0 BBAERP CCC[C@@]1(CNC(=O)C[NH+](C)C)C[NH2+]CCO1 ZINC000675059118 538483466 /nfs/dbraw/zinc/48/34/66/538483466.db2.gz KULMWERFOAIPLV-LBPRGKRZSA-N 2 0 243.351 -0.177 10 0 BBAERP C[NH+](C)CC(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC000675059133 538483494 /nfs/dbraw/zinc/48/34/94/538483494.db2.gz LBRJHBJJJUCHTA-JTQLQIEISA-N 2 0 215.297 -0.957 10 0 BBAERP C[NH+](C)CC(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC000675059134 538483272 /nfs/dbraw/zinc/48/32/72/538483272.db2.gz LBRJHBJJJUCHTA-SNVBAGLBSA-N 2 0 215.297 -0.957 10 0 BBAERP CC[C@]1(CNC(=O)C[NH+](C)C)C[NH2+]CCO1 ZINC000675059291 538483328 /nfs/dbraw/zinc/48/33/28/538483328.db2.gz MWKFHERFNGNQTQ-LLVKDONJSA-N 2 0 229.324 -0.567 10 0 BBAERP CC[C@@]1(CNC(=O)C[NH+](C)C)C[NH2+]CCO1 ZINC000675059292 538483282 /nfs/dbraw/zinc/48/32/82/538483282.db2.gz MWKFHERFNGNQTQ-NSHDSACASA-N 2 0 229.324 -0.567 10 0 BBAERP CCC[C@@]1(C[NH3+])CN(C(=O)C[NH+](C)C)CCO1 ZINC000675059315 538483354 /nfs/dbraw/zinc/48/33/54/538483354.db2.gz NZRVMJRMRMYGQH-GFCCVEGCSA-N 2 0 243.351 -0.096 10 0 BBAERP CCC[C@]1(C[NH3+])CN(C(=O)C[NH+](C)C)CCO1 ZINC000675059316 538483599 /nfs/dbraw/zinc/48/35/99/538483599.db2.gz NZRVMJRMRMYGQH-LBPRGKRZSA-N 2 0 243.351 -0.096 10 0 BBAERP C[NH+](C)CC(=O)N1CCO[C@@](C)(C[NH3+])C1 ZINC000675059327 538483233 /nfs/dbraw/zinc/48/32/33/538483233.db2.gz OGPISETXCXXUIY-JTQLQIEISA-N 2 0 215.297 -0.876 10 0 BBAERP C[NH+](C)CC(=O)N1CCO[C@](C)(C[NH3+])C1 ZINC000675059328 538483190 /nfs/dbraw/zinc/48/31/90/538483190.db2.gz OGPISETXCXXUIY-SNVBAGLBSA-N 2 0 215.297 -0.876 10 0 BBAERP C[C@H]1C[NH2+]CCN1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000675059503 538484393 /nfs/dbraw/zinc/48/43/93/538484393.db2.gz QKVBHPXSMSKQMF-AXFHLTTASA-N 2 0 213.325 -0.214 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000675059504 538484245 /nfs/dbraw/zinc/48/42/45/538484245.db2.gz QKVBHPXSMSKQMF-MXWKQRLJSA-N 2 0 213.325 -0.214 10 0 BBAERP CC[NH+]1CCN([C@@H]2C[NH2+]CC[C@H]2O)CC1 ZINC000675061030 538486935 /nfs/dbraw/zinc/48/69/35/538486935.db2.gz WOWYHBNDZKFOTB-GHMZBOCLSA-N 2 0 213.325 -0.653 10 0 BBAERP CC[NH+]1CCN([C@@H]2C[NH2+]CC[C@@H]2O)CC1 ZINC000675061031 538487325 /nfs/dbraw/zinc/48/73/25/538487325.db2.gz WOWYHBNDZKFOTB-MNOVXSKESA-N 2 0 213.325 -0.653 10 0 BBAERP CC[NH+]1CCN([C@H]2C[NH2+]CC[C@H]2O)CC1 ZINC000675061032 538486844 /nfs/dbraw/zinc/48/68/44/538486844.db2.gz WOWYHBNDZKFOTB-WDEREUQCSA-N 2 0 213.325 -0.653 10 0 BBAERP C[NH+](C)CC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675070071 538499940 /nfs/dbraw/zinc/49/99/40/538499940.db2.gz KXULHHWHLBSZID-MWLCHTKSSA-N 2 0 211.309 -0.112 10 0 BBAERP C[NH+](C)CC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675070072 538500074 /nfs/dbraw/zinc/50/00/74/538500074.db2.gz KXULHHWHLBSZID-ONGXEEELSA-N 2 0 211.309 -0.112 10 0 BBAERP C[NH+](C)CC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070275 538499804 /nfs/dbraw/zinc/49/98/04/538499804.db2.gz NPYBYLMJLYVDKA-MWLCHTKSSA-N 2 0 211.309 -0.194 10 0 BBAERP C[NH+](C)CC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070276 538500397 /nfs/dbraw/zinc/50/03/97/538500397.db2.gz NPYBYLMJLYVDKA-ONGXEEELSA-N 2 0 211.309 -0.194 10 0 BBAERP C[NH+](C)CC(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675070685 538500781 /nfs/dbraw/zinc/50/07/81/538500781.db2.gz RTEDQFCMYJGJSK-SECBINFHSA-N 2 0 227.308 -0.863 10 0 BBAERP C[NH+](C)CC(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675070687 538500983 /nfs/dbraw/zinc/50/09/83/538500983.db2.gz RTEDQFCMYJGJSK-VIFPVBQESA-N 2 0 227.308 -0.863 10 0 BBAERP COC(=O)[C@@]12C[C@]1(C[NH2+]C1CC1)C[NH2+]C2 ZINC000675072965 538504398 /nfs/dbraw/zinc/50/43/98/538504398.db2.gz FKZYQKRJWQFEAT-MNOVXSKESA-N 2 0 210.277 -0.109 10 0 BBAERP COC(=O)[C@]12C[C@@]1(C[NH2+]C1CC1)C[NH2+]C2 ZINC000675072967 537873153 /nfs/dbraw/zinc/87/31/53/537873153.db2.gz FKZYQKRJWQFEAT-WDEREUQCSA-N 2 0 210.277 -0.109 10 0 BBAERP [NH3+]C[C@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073131 538504899 /nfs/dbraw/zinc/50/48/99/538504899.db2.gz LQVGFSACBRPPHI-HTQZYQBOSA-N 2 0 204.295 -0.888 10 0 BBAERP [NH3+]C[C@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073133 538505009 /nfs/dbraw/zinc/50/50/09/538505009.db2.gz LQVGFSACBRPPHI-JGVFFNPUSA-N 2 0 204.295 -0.888 10 0 BBAERP [NH3+]C[C@@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073134 538504924 /nfs/dbraw/zinc/50/49/24/538504924.db2.gz LQVGFSACBRPPHI-SFYZADRCSA-N 2 0 204.295 -0.888 10 0 BBAERP [NH3+]C[C@@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073136 538505256 /nfs/dbraw/zinc/50/52/56/538505256.db2.gz LQVGFSACBRPPHI-YUMQZZPRSA-N 2 0 204.295 -0.888 10 0 BBAERP COC(=O)[C@@]12C[C@]1(C[NH2+][C@@H](C)CO)C[NH2+]C2 ZINC000675073196 538505137 /nfs/dbraw/zinc/50/51/37/538505137.db2.gz HEYWFIJSOKCIFN-GDPRMGEGSA-N 2 0 228.292 -0.891 10 0 BBAERP COC(=O)[C@@]12C[C@]1(C[NH2+][C@H](C)CO)C[NH2+]C2 ZINC000675073198 538505306 /nfs/dbraw/zinc/50/53/06/538505306.db2.gz HEYWFIJSOKCIFN-IEBDPFPHSA-N 2 0 228.292 -0.891 10 0 BBAERP COCCC[NH2+]C[C@]12C[C@@]1(C(=O)OC)C[NH2+]C2 ZINC000675074074 538507061 /nfs/dbraw/zinc/50/70/61/538507061.db2.gz RDXAJVBRVZIPTC-RYUDHWBXSA-N 2 0 242.319 -0.235 10 0 BBAERP COCCC[NH2+]C[C@@]12C[C@]1(C(=O)OC)C[NH2+]C2 ZINC000675074077 538506852 /nfs/dbraw/zinc/50/68/52/538506852.db2.gz RDXAJVBRVZIPTC-VXGBXAGGSA-N 2 0 242.319 -0.235 10 0 BBAERP C[C@@H]1CN(C[C@H]2OC(=O)CC23C[NH2+]C3)CC[NH2+]1 ZINC000675074956 538507868 /nfs/dbraw/zinc/50/78/68/538507868.db2.gz DUPUIHOTEKZZSB-NXEZZACHSA-N 2 0 239.319 -0.815 10 0 BBAERP C[C@H]1CN(C[C@@H]2OC(=O)CC23C[NH2+]C3)CC[NH2+]1 ZINC000675074960 538508011 /nfs/dbraw/zinc/50/80/11/538508011.db2.gz DUPUIHOTEKZZSB-UWVGGRQHSA-N 2 0 239.319 -0.815 10 0 BBAERP C[C@H]1CN(C[C@H]2OC(=O)CC23C[NH2+]C3)CC[NH2+]1 ZINC000675074962 538507873 /nfs/dbraw/zinc/50/78/73/538507873.db2.gz DUPUIHOTEKZZSB-VHSXEESVSA-N 2 0 239.319 -0.815 10 0 BBAERP C[C@@H]1CN(C[C@@H]2OC(=O)CC23C[NH2+]C3)CC[NH2+]1 ZINC000675074966 538507718 /nfs/dbraw/zinc/50/77/18/538507718.db2.gz DUPUIHOTEKZZSB-ZJUUUORDSA-N 2 0 239.319 -0.815 10 0 BBAERP C[C@@H](O)C[N@H+](C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075055 538508050 /nfs/dbraw/zinc/50/80/50/538508050.db2.gz FQKAMAQHQQCHAM-BDAKNGLRSA-N 2 0 228.292 -0.796 10 0 BBAERP C[C@H](O)C[N@H+](C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075056 538507932 /nfs/dbraw/zinc/50/79/32/538507932.db2.gz FQKAMAQHQQCHAM-DTWKUNHWSA-N 2 0 228.292 -0.796 10 0 BBAERP C[C@H](O)C[N@H+](C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075057 538507896 /nfs/dbraw/zinc/50/78/96/538507896.db2.gz FQKAMAQHQQCHAM-IUCAKERBSA-N 2 0 228.292 -0.796 10 0 BBAERP C[C@@H](O)C[N@H+](C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075058 538507808 /nfs/dbraw/zinc/50/78/08/538507808.db2.gz FQKAMAQHQQCHAM-RKDXNWHRSA-N 2 0 228.292 -0.796 10 0 BBAERP O=C1CC2(C[NH2+]C2)[C@@H](C[N@H+]2CC[C@@H](CO)C2)O1 ZINC000675075063 538507922 /nfs/dbraw/zinc/50/79/22/538507922.db2.gz FTMIJNAXFMZNJG-NXEZZACHSA-N 2 0 240.303 -0.794 10 0 BBAERP O=C1CC2(C[NH2+]C2)[C@H](C[N@H+]2CC[C@H](CO)C2)O1 ZINC000675075064 538507797 /nfs/dbraw/zinc/50/77/97/538507797.db2.gz FTMIJNAXFMZNJG-UWVGGRQHSA-N 2 0 240.303 -0.794 10 0 BBAERP O=C1CC2(C[NH2+]C2)[C@@H](C[N@H+]2CC[C@H](CO)C2)O1 ZINC000675075065 538507953 /nfs/dbraw/zinc/50/79/53/538507953.db2.gz FTMIJNAXFMZNJG-VHSXEESVSA-N 2 0 240.303 -0.794 10 0 BBAERP O=C1CC2(C[NH2+]C2)[C@H](C[N@H+]2CC[C@@H](CO)C2)O1 ZINC000675075066 538507978 /nfs/dbraw/zinc/50/79/78/538507978.db2.gz FTMIJNAXFMZNJG-ZJUUUORDSA-N 2 0 240.303 -0.794 10 0 BBAERP COCC[N@H+](C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075096 538508133 /nfs/dbraw/zinc/50/81/33/538508133.db2.gz GNBIHBMBAGMMIP-SECBINFHSA-N 2 0 228.292 -0.530 10 0 BBAERP COCC[N@H+](C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075103 538508288 /nfs/dbraw/zinc/50/82/88/538508288.db2.gz GNBIHBMBAGMMIP-VIFPVBQESA-N 2 0 228.292 -0.530 10 0 BBAERP CC[N@H+](CCO)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075324 538509069 /nfs/dbraw/zinc/50/90/69/538509069.db2.gz MBGITRGPBBYZER-SECBINFHSA-N 2 0 228.292 -0.794 10 0 BBAERP CC[N@H+](CCO)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075325 538508870 /nfs/dbraw/zinc/50/88/70/538508870.db2.gz MBGITRGPBBYZER-VIFPVBQESA-N 2 0 228.292 -0.794 10 0 BBAERP O=C1CC2(C[NH2+]C2)[C@@H](C[NH+]2CCCC2)O1 ZINC000675075664 538509987 /nfs/dbraw/zinc/50/99/87/538509987.db2.gz TVRXGUQXPWMMPP-SECBINFHSA-N 2 0 210.277 -0.013 10 0 BBAERP O=C1CC2(C[NH2+]C2)[C@H](C[NH+]2CCCC2)O1 ZINC000675075665 538509631 /nfs/dbraw/zinc/50/96/31/538509631.db2.gz TVRXGUQXPWMMPP-VIFPVBQESA-N 2 0 210.277 -0.013 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075897 538510806 /nfs/dbraw/zinc/51/08/06/538510806.db2.gz WPUAFOXORCOBNJ-NXEZZACHSA-N 2 0 239.319 -0.815 10 0 BBAERP C[C@H]1C[NH2+]CCN1C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075898 537888199 /nfs/dbraw/zinc/88/81/99/537888199.db2.gz WPUAFOXORCOBNJ-UWVGGRQHSA-N 2 0 239.319 -0.815 10 0 BBAERP C[C@H]1C[NH2+]CCN1C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075899 538510746 /nfs/dbraw/zinc/51/07/46/538510746.db2.gz WPUAFOXORCOBNJ-VHSXEESVSA-N 2 0 239.319 -0.815 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075900 538510558 /nfs/dbraw/zinc/51/05/58/538510558.db2.gz WPUAFOXORCOBNJ-ZJUUUORDSA-N 2 0 239.319 -0.815 10 0 BBAERP c1nn2c(c1[C@H]1C[NH2+]CCN1)C[NH2+]CC2 ZINC000675076435 538511311 /nfs/dbraw/zinc/51/13/11/538511311.db2.gz NRMATBCUWFRLJD-SECBINFHSA-N 2 0 207.281 -0.780 10 0 BBAERP c1nn2c(c1[C@@H]1C[NH2+]CCN1)C[NH2+]CC2 ZINC000675076439 538511763 /nfs/dbraw/zinc/51/17/63/538511763.db2.gz NRMATBCUWFRLJD-VIFPVBQESA-N 2 0 207.281 -0.780 10 0 BBAERP Nc1cc[nH+]cc1CC1=C[C@H](N)C[NH2+]C1 ZINC000675076625 538511063 /nfs/dbraw/zinc/51/10/63/538511063.db2.gz FFCDPWUQTPKUCG-JTQLQIEISA-N 2 0 204.277 -0.106 10 0 BBAERP Nc1cc[nH+]cc1CC1=C[C@@H](N)C[NH2+]C1 ZINC000675076626 537891990 /nfs/dbraw/zinc/89/19/90/537891990.db2.gz FFCDPWUQTPKUCG-SNVBAGLBSA-N 2 0 204.277 -0.106 10 0 BBAERP Nc1cc[nH+]cc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675078599 538516483 /nfs/dbraw/zinc/51/64/83/538516483.db2.gz ZLZSORUFHGSSJF-JTQLQIEISA-N 2 0 205.261 -0.073 10 0 BBAERP Nc1cc[nH+]cc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675078600 538516261 /nfs/dbraw/zinc/51/62/61/538516261.db2.gz ZLZSORUFHGSSJF-SNVBAGLBSA-N 2 0 205.261 -0.073 10 0 BBAERP CCOC(=O)[C@H]1C[NH2+]C[C@@H]1CN(C)C ZINC000685939192 538886275 /nfs/dbraw/zinc/88/62/75/538886275.db2.gz UCRDOQJSVLYLGJ-BDAKNGLRSA-N 2 0 200.282 -0.053 10 0 BBAERP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1CN(C)C ZINC000685939193 538886280 /nfs/dbraw/zinc/88/62/80/538886280.db2.gz UCRDOQJSVLYLGJ-DTWKUNHWSA-N 2 0 200.282 -0.053 10 0 BBAERP CCOC(=O)[C@H]1C[NH2+]C[C@H]1CN(C)C ZINC000685939194 538886548 /nfs/dbraw/zinc/88/65/48/538886548.db2.gz UCRDOQJSVLYLGJ-IUCAKERBSA-N 2 0 200.282 -0.053 10 0 BBAERP CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1CN(C)C ZINC000685939195 538886172 /nfs/dbraw/zinc/88/61/72/538886172.db2.gz UCRDOQJSVLYLGJ-RKDXNWHRSA-N 2 0 200.282 -0.053 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685945882 538887550 /nfs/dbraw/zinc/88/75/50/538887550.db2.gz DOKWAMWAYDPSFA-HTQZYQBOSA-N 2 0 203.261 -0.554 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685945883 538887742 /nfs/dbraw/zinc/88/77/42/538887742.db2.gz DOKWAMWAYDPSFA-JGVFFNPUSA-N 2 0 203.261 -0.554 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685945884 538887602 /nfs/dbraw/zinc/88/76/02/538887602.db2.gz DOKWAMWAYDPSFA-SFYZADRCSA-N 2 0 203.261 -0.554 10 0 BBAERP C[NH+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685945885 538887581 /nfs/dbraw/zinc/88/75/81/538887581.db2.gz DOKWAMWAYDPSFA-YUMQZZPRSA-N 2 0 203.261 -0.554 10 0 BBAERP NC1(C2=[NH+]CCN2)CC[NH+](C2CC2)CC1 ZINC000685946563 538885603 /nfs/dbraw/zinc/88/56/03/538885603.db2.gz ATDHLWGYCWYYEK-UHFFFAOYSA-N 2 0 208.309 -0.056 10 0 BBAERP C[NH+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946975 538889045 /nfs/dbraw/zinc/88/90/45/538889045.db2.gz YARXFXDMECNWLD-HTQZYQBOSA-N 2 0 203.261 -0.636 10 0 BBAERP C[NH+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946976 538888612 /nfs/dbraw/zinc/88/86/12/538888612.db2.gz YARXFXDMECNWLD-JGVFFNPUSA-N 2 0 203.261 -0.636 10 0 BBAERP C[NH+](C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946977 538888954 /nfs/dbraw/zinc/88/89/54/538888954.db2.gz YARXFXDMECNWLD-SFYZADRCSA-N 2 0 203.261 -0.636 10 0 BBAERP C[NH+](C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946978 538888818 /nfs/dbraw/zinc/88/88/18/538888818.db2.gz YARXFXDMECNWLD-YUMQZZPRSA-N 2 0 203.261 -0.636 10 0 BBAERP C[NH+](C)CC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685947304 538889293 /nfs/dbraw/zinc/88/92/93/538889293.db2.gz LUDVGKGBOMCVHG-UHFFFAOYSA-N 2 0 211.309 -0.240 10 0 BBAERP C[NH+](C)CC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685947331 538889193 /nfs/dbraw/zinc/88/91/93/538889193.db2.gz MBYGNSWUFOUXKA-UHFFFAOYSA-N 2 0 211.309 -0.240 10 0 BBAERP C[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C[C@H]1F ZINC000685948464 538891250 /nfs/dbraw/zinc/89/12/50/538891250.db2.gz OOIWGHFKOFRGIB-BBBLOLIVSA-N 2 0 201.289 -0.020 10 0 BBAERP C[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948465 538890915 /nfs/dbraw/zinc/89/09/15/538890915.db2.gz OOIWGHFKOFRGIB-KXUCPTDWSA-N 2 0 201.289 -0.020 10 0 BBAERP C[C@@H]1C[NH2+]CCN1[C@@H]1CC[NH2+]C[C@H]1F ZINC000685948466 538890781 /nfs/dbraw/zinc/89/07/81/538890781.db2.gz OOIWGHFKOFRGIB-OPRDCNLKSA-N 2 0 201.289 -0.020 10 0 BBAERP C[C@@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948467 538890825 /nfs/dbraw/zinc/89/08/25/538890825.db2.gz OOIWGHFKOFRGIB-UTLUCORTSA-N 2 0 201.289 -0.020 10 0 BBAERP C[NH2+]CC1(C[NH3+])CCS(=O)(=O)CC1 ZINC000685948474 538891221 /nfs/dbraw/zinc/89/12/21/538891221.db2.gz OXSDHSGKXUZMOY-UHFFFAOYSA-N 2 0 206.311 -0.641 10 0 BBAERP CC[NH2+]CC1(C[NH3+])CCS(=O)(=O)CC1 ZINC000685948637 538891263 /nfs/dbraw/zinc/89/12/63/538891263.db2.gz RSPXPWALWBLUNP-UHFFFAOYSA-N 2 0 220.338 -0.250 10 0 BBAERP C[NH+](C)CC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949185 538892370 /nfs/dbraw/zinc/89/23/70/538892370.db2.gz LKIYKOGQOVAVBA-UHFFFAOYSA-N 2 0 233.262 -0.385 10 0 BBAERP C[NH+](C)CC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949514 538892346 /nfs/dbraw/zinc/89/23/46/538892346.db2.gz STGSQGARRAWNEE-UHFFFAOYSA-N 2 0 233.262 -0.385 10 0 BBAERP c1nnn(C2C[NH2+]C2)c1C1=CC[NH2+]CC1 ZINC000685951978 541497302 /nfs/dbraw/zinc/49/73/02/541497302.db2.gz NHPMQNIZMQINJG-UHFFFAOYSA-N 2 0 205.265 -0.201 10 0 BBAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702342423 712045932 /nfs/dbraw/zinc/04/59/32/712045932.db2.gz NCSSWVQSQNSOND-MNOVXSKESA-N 2 0 242.367 -0.524 10 0 BBAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702342424 712046059 /nfs/dbraw/zinc/04/60/59/712046059.db2.gz NCSSWVQSQNSOND-QWRGUYRKSA-N 2 0 242.367 -0.524 10 0 BBAERP C[NH+]1CCN(CCn2cc[nH+]c2N)CC1 ZINC000702458617 582926751 /nfs/dbraw/zinc/92/67/51/582926751.db2.gz CPKPYSCDXWKGGG-UHFFFAOYSA-N 2 0 209.297 -0.287 10 0 BBAERP C[N@H+](C[C@@H](O)Cn1cc[nH+]c1N)C1CC1 ZINC000702470724 582926657 /nfs/dbraw/zinc/92/66/57/582926657.db2.gz DUDOYPFQKPINNI-SECBINFHSA-N 2 0 210.281 -0.080 10 0 BBAERP C[N@H+](C[C@H](O)Cn1cc[nH+]c1N)C1CC1 ZINC000702470725 582926514 /nfs/dbraw/zinc/92/65/14/582926514.db2.gz DUDOYPFQKPINNI-VIFPVBQESA-N 2 0 210.281 -0.080 10 0 BBAERP Nc1[nH+]ccn1C[C@H](O)C[NH+]1CCCC1 ZINC000702471632 582927230 /nfs/dbraw/zinc/92/72/30/582927230.db2.gz NINDKCCQYSLPNY-SECBINFHSA-N 2 0 210.281 -0.078 10 0 BBAERP Nc1[nH+]ccn1C[C@@H](O)C[NH+]1CCCC1 ZINC000702471635 582927333 /nfs/dbraw/zinc/92/73/33/582927333.db2.gz NINDKCCQYSLPNY-VIFPVBQESA-N 2 0 210.281 -0.078 10 0 BBAERP C[NH+](C)C[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000705233050 712124978 /nfs/dbraw/zinc/12/49/78/712124978.db2.gz KDUCVJAORJWVDY-UWVGGRQHSA-N 2 0 228.340 -0.962 10 0 BBAERP C[NH+](C)C[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000705233053 712124832 /nfs/dbraw/zinc/12/48/32/712124832.db2.gz KDUCVJAORJWVDY-ZJUUUORDSA-N 2 0 228.340 -0.962 10 0 BBAERP C[NH+]1CCC(C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000705335354 712129038 /nfs/dbraw/zinc/12/90/38/712129038.db2.gz XXBRKYONAXMQCY-STQMWFEESA-N 2 0 242.363 -0.139 10 0 BBAERP COC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708824693 712200355 /nfs/dbraw/zinc/20/03/55/712200355.db2.gz BISAXFLQQHBLMA-IVZWLZJFSA-N 2 0 202.298 -0.480 10 0 BBAERP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708824695 712199946 /nfs/dbraw/zinc/19/99/46/712199946.db2.gz BISAXFLQQHBLMA-KXUCPTDWSA-N 2 0 202.298 -0.480 10 0 BBAERP COC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708824696 712200156 /nfs/dbraw/zinc/20/01/56/712200156.db2.gz BISAXFLQQHBLMA-LPEHRKFASA-N 2 0 202.298 -0.480 10 0 BBAERP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708830113 712200260 /nfs/dbraw/zinc/20/02/60/712200260.db2.gz KIZMDMNRGBODOL-GRYCIOLGSA-N 2 0 246.351 -0.463 10 0 BBAERP COCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708830117 712199988 /nfs/dbraw/zinc/19/99/88/712199988.db2.gz KIZMDMNRGBODOL-QJPTWQEYSA-N 2 0 246.351 -0.463 10 0 BBAERP COCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708830118 712199895 /nfs/dbraw/zinc/19/98/95/712199895.db2.gz KIZMDMNRGBODOL-SDDRHHMPSA-N 2 0 246.351 -0.463 10 0 BBAERP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000708832123 712200027 /nfs/dbraw/zinc/20/00/27/712200027.db2.gz XFHVMTCNJORGSV-AGIUHOORSA-N 2 0 241.379 -0.030 10 0 BBAERP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000708832125 712200121 /nfs/dbraw/zinc/20/01/21/712200121.db2.gz XFHVMTCNJORGSV-FRRDWIJNSA-N 2 0 241.379 -0.030 10 0 BBAERP C[C@H]1C[N@H+](CCN2CCOC2=O)C[C@@H]1C[NH3+] ZINC000708852848 712201315 /nfs/dbraw/zinc/20/13/15/712201315.db2.gz BYSJOJAPCAVBSE-UWVGGRQHSA-N 2 0 227.308 -0.035 10 0 BBAERP C[C@H]1C[N@H+](CCN2CCOC2=O)C[C@H]1C[NH3+] ZINC000708852850 712201277 /nfs/dbraw/zinc/20/12/77/712201277.db2.gz BYSJOJAPCAVBSE-VHSXEESVSA-N 2 0 227.308 -0.035 10 0 BBAERP C[C@@H]1C[N@H+](CCN2CCOC2=O)C[C@@H]1C[NH3+] ZINC000708852852 712201225 /nfs/dbraw/zinc/20/12/25/712201225.db2.gz BYSJOJAPCAVBSE-ZJUUUORDSA-N 2 0 227.308 -0.035 10 0 BBAERP CCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708864124 712201291 /nfs/dbraw/zinc/20/12/91/712201291.db2.gz WVTQRQXPFOJGPT-GARJFASQSA-N 2 0 216.325 -0.090 10 0 BBAERP CCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708864129 712201229 /nfs/dbraw/zinc/20/12/29/712201229.db2.gz WVTQRQXPFOJGPT-OUAUKWLOSA-N 2 0 216.325 -0.090 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCn3cnnn3)C[C@@H]12 ZINC000712549833 712444282 /nfs/dbraw/zinc/44/42/82/712444282.db2.gz CEWSDRLECAGVJM-IVZWLZJFSA-N 2 0 222.296 -0.658 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCn3cnnn3)C[C@H]12 ZINC000712549836 712444536 /nfs/dbraw/zinc/44/45/36/712444536.db2.gz CEWSDRLECAGVJM-KXUCPTDWSA-N 2 0 222.296 -0.658 10 0 BBAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCn3cnnn3)C[C@H]12 ZINC000712549838 712444351 /nfs/dbraw/zinc/44/43/51/712444351.db2.gz CEWSDRLECAGVJM-LPEHRKFASA-N 2 0 222.296 -0.658 10 0 BBAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCn3cnnn3)C[C@@H]12 ZINC000712549840 712444436 /nfs/dbraw/zinc/44/44/36/712444436.db2.gz CEWSDRLECAGVJM-OPRDCNLKSA-N 2 0 222.296 -0.658 10 0 BBAERP C[C@@H]1C[N@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712552383 712445030 /nfs/dbraw/zinc/44/50/30/712445030.db2.gz PADIAKIEUCTCTP-BDAKNGLRSA-N 2 0 210.285 -0.800 10 0 BBAERP C[C@H]1C[N@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712552385 712445084 /nfs/dbraw/zinc/44/50/84/712445084.db2.gz PADIAKIEUCTCTP-DTWKUNHWSA-N 2 0 210.285 -0.800 10 0 BBAERP C[C@H]1C[N@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712552386 712444921 /nfs/dbraw/zinc/44/49/21/712444921.db2.gz PADIAKIEUCTCTP-IUCAKERBSA-N 2 0 210.285 -0.800 10 0 BBAERP C[N@H+](CCn1cnnn1)[C@H]1CCC[NH2+]CC1 ZINC000712553289 712445278 /nfs/dbraw/zinc/44/52/78/712445278.db2.gz VXKDBYFOGSHQRJ-JTQLQIEISA-N 2 0 224.312 -0.253 10 0 BBAERP C[N@H+](CCn1cnnn1)[C@@H]1CCC[NH2+]CC1 ZINC000712553290 712445051 /nfs/dbraw/zinc/44/50/51/712445051.db2.gz VXKDBYFOGSHQRJ-SNVBAGLBSA-N 2 0 224.312 -0.253 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712672585 712440216 /nfs/dbraw/zinc/44/02/16/712440216.db2.gz HUVIPMONDFMTRZ-JTQLQIEISA-N 2 0 243.351 -0.097 10 0 BBAERP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712672587 712440546 /nfs/dbraw/zinc/44/05/46/712440546.db2.gz HUVIPMONDFMTRZ-SNVBAGLBSA-N 2 0 243.351 -0.097 10 0 BBAERP NC(=O)c1c[nH+]ccc1NCC1CC([NH3+])C1 ZINC000715122895 712511055 /nfs/dbraw/zinc/51/10/55/712511055.db2.gz NNOGWNVUNCGARP-UHFFFAOYSA-N 2 0 220.276 -0.248 10 0 BBAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715130514 712509916 /nfs/dbraw/zinc/50/99/16/712509916.db2.gz XGNYPFVYFAMGMI-VGMNWLOBSA-N 2 0 247.289 -0.011 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715132190 712513824 /nfs/dbraw/zinc/51/38/24/712513824.db2.gz NNOGWNVUNCGARP-OCAPTIKFSA-N 2 0 220.276 -0.248 10 0 BBAERP NC(=O)c1c[nH+]ccc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715140663 712511857 /nfs/dbraw/zinc/51/18/57/712511857.db2.gz NNOGWNVUNCGARP-ZKCHVHJHSA-N 2 0 220.276 -0.248 10 0 BBAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715154734 711476661 /nfs/dbraw/zinc/47/66/61/711476661.db2.gz XGNYPFVYFAMGMI-CIUDSAMLSA-N 2 0 247.289 -0.011 10 0 BBAERP [NH3+]CCCNC(=O)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715431827 712518726 /nfs/dbraw/zinc/51/87/26/712518726.db2.gz HASGOOMVWQGQCN-GXSJLCMTSA-N 2 0 227.308 -0.923 10 0 BBAERP O=C(N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COCC2 ZINC000715449087 712383505 /nfs/dbraw/zinc/38/35/05/712383505.db2.gz YXCZWAULTBSCCM-CMPLNLGQSA-N 2 0 239.319 -0.956 10 0 BBAERP [NH3+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715465807 712519844 /nfs/dbraw/zinc/51/98/44/712519844.db2.gz MQNWEXGBPNHHOX-MWLCHTKSSA-N 2 0 211.309 -0.159 10 0 BBAERP C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000716716936 712570820 /nfs/dbraw/zinc/57/08/20/712570820.db2.gz NRCBTUUSHVQYDD-AFWXGSBKSA-N 2 0 211.309 -0.162 10 0 BBAERP C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000716716940 712570709 /nfs/dbraw/zinc/57/07/09/712570709.db2.gz NRCBTUUSHVQYDD-DKEVHCRPSA-N 2 0 211.309 -0.162 10 0 BBAERP C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000716716944 712570807 /nfs/dbraw/zinc/57/08/07/712570807.db2.gz NRCBTUUSHVQYDD-LGUIWLBCSA-N 2 0 211.309 -0.162 10 0 BBAERP C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000716716945 711579971 /nfs/dbraw/zinc/57/99/71/711579971.db2.gz NRCBTUUSHVQYDD-XHHQTKHESA-N 2 0 211.309 -0.162 10 0 BBAERP NC(=O)C1CC([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000716742002 712572194 /nfs/dbraw/zinc/57/21/94/712572194.db2.gz VRRFLFVSSLUKRZ-HWOCKDDLSA-N 2 0 211.309 -0.018 10 0 BBAERP NC(=O)C1CC([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000716742003 712571864 /nfs/dbraw/zinc/57/18/64/712571864.db2.gz VRRFLFVSSLUKRZ-KYHHOPLUSA-N 2 0 211.309 -0.018 10 0 BBAERP NC(=O)C1CC([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000716742462 712572018 /nfs/dbraw/zinc/57/20/18/712572018.db2.gz YOPWQGKNPUELGY-AUXWQGHOSA-N 2 0 211.309 -0.033 10 0 BBAERP NC(=O)C1CC([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000716742463 712572052 /nfs/dbraw/zinc/57/20/52/712572052.db2.gz YOPWQGKNPUELGY-NFTFJBJSSA-N 2 0 211.309 -0.033 10 0 BBAERP NC(=O)C1CC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000716742464 712572176 /nfs/dbraw/zinc/57/21/76/712572176.db2.gz YOPWQGKNPUELGY-SEZDTBSWSA-N 2 0 211.309 -0.033 10 0 BBAERP NC(=O)C1CC([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000716742465 712571838 /nfs/dbraw/zinc/57/18/38/712571838.db2.gz YOPWQGKNPUELGY-WOOKNIGNSA-N 2 0 211.309 -0.033 10 0 BBAERP NC(=O)C1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000716758668 712572550 /nfs/dbraw/zinc/57/25/50/712572550.db2.gz CDHFIYMZTWACHW-ILDUYXDCSA-N 2 0 241.335 -0.703 10 0 BBAERP NC(=O)C1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000716758669 712572608 /nfs/dbraw/zinc/57/26/08/712572608.db2.gz CDHFIYMZTWACHW-VQXHTEKXSA-N 2 0 241.335 -0.703 10 0 BBAERP COC[C@@H](CCC[NH3+])[NH2+]C1CC(C(N)=O)C1 ZINC000716769961 712573026 /nfs/dbraw/zinc/57/30/26/712573026.db2.gz MJAJANNAKXXNTG-HWOCKDDLSA-N 2 0 229.324 -0.406 10 0 BBAERP COC[C@H](CCC[NH3+])[NH2+]C1CC(C(N)=O)C1 ZINC000716769962 712572757 /nfs/dbraw/zinc/57/27/57/712572757.db2.gz MJAJANNAKXXNTG-KYHHOPLUSA-N 2 0 229.324 -0.406 10 0 BBAERP NC(=O)C1CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000716782693 712573403 /nfs/dbraw/zinc/57/34/03/712573403.db2.gz JLSCNFKIQBDDAV-BDSMJPNQSA-N 2 0 235.331 -0.164 10 0 BBAERP NC(=O)C1CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000716782694 712573218 /nfs/dbraw/zinc/57/32/18/712573218.db2.gz JLSCNFKIQBDDAV-BXCDDWRZSA-N 2 0 235.331 -0.164 10 0 BBAERP NC(=O)C1CC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000716782695 712573189 /nfs/dbraw/zinc/57/31/89/712573189.db2.gz JLSCNFKIQBDDAV-QEXDAJCDSA-N 2 0 235.331 -0.164 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720906631 712876973 /nfs/dbraw/zinc/87/69/73/712876973.db2.gz LUCFUOMLIDNCPN-AXFHLTTASA-N 2 0 241.335 -0.345 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720906632 712876862 /nfs/dbraw/zinc/87/68/62/712876862.db2.gz LUCFUOMLIDNCPN-DCAQKATOSA-N 2 0 241.335 -0.345 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720906634 712876979 /nfs/dbraw/zinc/87/69/79/712876979.db2.gz LUCFUOMLIDNCPN-GARJFASQSA-N 2 0 241.335 -0.345 10 0 BBAERP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720906635 712876781 /nfs/dbraw/zinc/87/67/81/712876781.db2.gz LUCFUOMLIDNCPN-HBNTYKKESA-N 2 0 241.335 -0.345 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]cc1C(N)=O ZINC000721923682 710692180 /nfs/dbraw/zinc/69/21/80/710692180.db2.gz HARIXXYVYYMATP-GMSGAONNSA-N 2 0 220.276 -0.378 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000723786976 710731539 /nfs/dbraw/zinc/73/15/39/710731539.db2.gz VCTSJBMCWXYUHB-BDAKNGLRSA-N 2 0 234.303 -0.130 10 0 BBAERP C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724621857 711600797 /nfs/dbraw/zinc/60/07/97/711600797.db2.gz YRSRECUQXAAWRV-YTWAJWBKSA-N 2 0 212.293 -0.258 10 0 BBAERP C[NH+](C)CC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241628 537981707 /nfs/dbraw/zinc/98/17/07/537981707.db2.gz KGJRDKLUVHPVRJ-UHFFFAOYSA-N 2 0 211.309 -0.098 10 0 BBAERP C[NH+](C)CC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241945 537980604 /nfs/dbraw/zinc/98/06/04/537980604.db2.gz XIGUAZKEZAVHDA-UHFFFAOYSA-N 2 0 211.309 -0.098 10 0 BBAERP Cn1nccc1-c1c(C[NH3+])nnn1CC[NH+](C)C ZINC000725257571 538064848 /nfs/dbraw/zinc/06/48/48/538064848.db2.gz RKIOUPRJFVXBLL-UHFFFAOYSA-N 2 0 249.322 -0.301 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000725257949 538069360 /nfs/dbraw/zinc/06/93/60/538069360.db2.gz APLMJDJRYAQVRP-PRHODGIISA-N 2 0 247.302 -0.425 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000725257951 538070339 /nfs/dbraw/zinc/07/03/39/538070339.db2.gz APLMJDJRYAQVRP-UFBFGSQYSA-N 2 0 247.302 -0.425 10 0 BBAERP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257967 538069145 /nfs/dbraw/zinc/06/91/45/538069145.db2.gz BJRDSHFXSZIDHO-PSASIEDQSA-N 2 0 249.318 -0.036 10 0 BBAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257968 538070265 /nfs/dbraw/zinc/07/02/65/538070265.db2.gz BJRDSHFXSZIDHO-SCZZXKLOSA-N 2 0 249.318 -0.036 10 0 BBAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257969 538069124 /nfs/dbraw/zinc/06/91/24/538069124.db2.gz BJRDSHFXSZIDHO-WCBMZHEXSA-N 2 0 249.318 -0.036 10 0 BBAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257970 538070082 /nfs/dbraw/zinc/07/00/82/538070082.db2.gz BJRDSHFXSZIDHO-WPRPVWTQSA-N 2 0 249.318 -0.036 10 0 BBAERP CO[C@@H](CC[NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725257971 538069925 /nfs/dbraw/zinc/06/99/25/538069925.db2.gz BKNMNTNSKWIGNK-JTQLQIEISA-N 2 0 239.323 -0.197 10 0 BBAERP CO[C@H](CC[NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725257972 538070325 /nfs/dbraw/zinc/07/03/25/538070325.db2.gz BKNMNTNSKWIGNK-SNVBAGLBSA-N 2 0 239.323 -0.197 10 0 BBAERP C[C@@]1(C(=O)Nc2ccnn2C2C[NH2+]C2)CC[NH2+]C1 ZINC000725257973 538070059 /nfs/dbraw/zinc/07/00/59/538070059.db2.gz BLNORNNICWEZNH-GFCCVEGCSA-N 2 0 249.318 -0.035 10 0 BBAERP C[C@]1(C(=O)Nc2ccnn2C2C[NH2+]C2)CC[NH2+]C1 ZINC000725257974 538069693 /nfs/dbraw/zinc/06/96/93/538069693.db2.gz BLNORNNICWEZNH-LBPRGKRZSA-N 2 0 249.318 -0.035 10 0 BBAERP [NH3+]C1(CNc2ccnn2C2C[NH2+]C2)CC1 ZINC000725257977 538069196 /nfs/dbraw/zinc/06/91/96/538069196.db2.gz BNCBRGGXUOIPCL-UHFFFAOYSA-N 2 0 207.281 -0.069 10 0 BBAERP CCC[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258005 538070887 /nfs/dbraw/zinc/07/08/87/538070887.db2.gz CQDZFWBRWARPBH-UHFFFAOYSA-N 2 0 237.307 -0.035 10 0 BBAERP C[C@H]1CC[NH2+][C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258026 538071052 /nfs/dbraw/zinc/07/10/52/538071052.db2.gz DELVJLSBQJGHSE-KWQFWETISA-N 2 0 249.318 -0.036 10 0 BBAERP C[C@@H]1CC[NH2+][C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258027 538070902 /nfs/dbraw/zinc/07/09/02/538070902.db2.gz DELVJLSBQJGHSE-LDYMZIIASA-N 2 0 249.318 -0.036 10 0 BBAERP O=C(C[C@H]1CC[NH2+]C1)Nc1ccnn1C1C[NH2+]C1 ZINC000725258029 538071010 /nfs/dbraw/zinc/07/10/10/538071010.db2.gz DFPKITPQKWGUKU-SECBINFHSA-N 2 0 249.318 -0.035 10 0 BBAERP O=C(CC1C[NH2+]C1)Nc1ccnn1C1C[NH2+]C1 ZINC000725258044 538071039 /nfs/dbraw/zinc/07/10/39/538071039.db2.gz DNVLZQDVWXWIHY-UHFFFAOYSA-N 2 0 235.291 -0.425 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)C1=CC[NH2+]CC1 ZINC000725258053 566303923 /nfs/dbraw/zinc/30/39/23/566303923.db2.gz DRJKKNGOZIXAOE-UHFFFAOYSA-N 2 0 247.302 -0.114 10 0 BBAERP [NH3+][C@@H]1COC[C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258059 566303638 /nfs/dbraw/zinc/30/36/38/566303638.db2.gz FAVCJJMVCHILAZ-PSASIEDQSA-N 2 0 237.307 -0.587 10 0 BBAERP [NH3+][C@H]1COC[C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258060 566303970 /nfs/dbraw/zinc/30/39/70/566303970.db2.gz FAVCJJMVCHILAZ-SCZZXKLOSA-N 2 0 237.307 -0.587 10 0 BBAERP [NH3+][C@@H]1COC[C@@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258061 566303729 /nfs/dbraw/zinc/30/37/29/566303729.db2.gz FAVCJJMVCHILAZ-WCBMZHEXSA-N 2 0 237.307 -0.587 10 0 BBAERP [NH3+][C@H]1COC[C@@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725258062 566304066 /nfs/dbraw/zinc/30/40/66/566304066.db2.gz FAVCJJMVCHILAZ-WPRPVWTQSA-N 2 0 237.307 -0.587 10 0 BBAERP C[C@H](CC[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258063 566303571 /nfs/dbraw/zinc/30/35/71/566303571.db2.gz FCPUEFSYFYACFK-MRVPVSSYSA-N 2 0 237.307 -0.049 10 0 BBAERP C[C@@H](CC[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258064 566303835 /nfs/dbraw/zinc/30/38/35/566303835.db2.gz FCPUEFSYFYACFK-QMMMGPOBSA-N 2 0 237.307 -0.049 10 0 BBAERP [NH3+]CCOCCCNc1ccnn1C1C[NH2+]C1 ZINC000725258067 566303829 /nfs/dbraw/zinc/30/38/29/566303829.db2.gz FHQGYFZOODVGFZ-UHFFFAOYSA-N 2 0 239.323 -0.195 10 0 BBAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258111 582789007 /nfs/dbraw/zinc/78/90/07/582789007.db2.gz GWZPCIXRPAXFOP-PSASIEDQSA-N 2 0 249.318 -0.179 10 0 BBAERP C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258112 582789158 /nfs/dbraw/zinc/78/91/58/582789158.db2.gz GWZPCIXRPAXFOP-SCZZXKLOSA-N 2 0 249.318 -0.179 10 0 BBAERP C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258113 582789098 /nfs/dbraw/zinc/78/90/98/582789098.db2.gz GWZPCIXRPAXFOP-WCBMZHEXSA-N 2 0 249.318 -0.179 10 0 BBAERP C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258114 582788886 /nfs/dbraw/zinc/78/88/86/582788886.db2.gz GWZPCIXRPAXFOP-WPRPVWTQSA-N 2 0 249.318 -0.179 10 0 BBAERP COC[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258123 582788750 /nfs/dbraw/zinc/78/87/50/582788750.db2.gz HITLJUUXUROFRP-MRVPVSSYSA-N 2 0 225.296 -0.587 10 0 BBAERP COC[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258124 582789178 /nfs/dbraw/zinc/78/91/78/582789178.db2.gz HITLJUUXUROFRP-QMMMGPOBSA-N 2 0 225.296 -0.587 10 0 BBAERP COC[C@](C)([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258131 538072060 /nfs/dbraw/zinc/07/20/60/538072060.db2.gz HRANTBLRUKFUBB-LLVKDONJSA-N 2 0 239.323 -0.197 10 0 BBAERP COC[C@@](C)([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258132 538071944 /nfs/dbraw/zinc/07/19/44/538071944.db2.gz HRANTBLRUKFUBB-NSHDSACASA-N 2 0 239.323 -0.197 10 0 BBAERP CC[C@H](C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258133 538071775 /nfs/dbraw/zinc/07/17/75/538071775.db2.gz HUKCWTUFTPOZTK-MRVPVSSYSA-N 2 0 237.307 -0.049 10 0 BBAERP CC[C@@H](C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258134 538071677 /nfs/dbraw/zinc/07/16/77/538071677.db2.gz HUKCWTUFTPOZTK-QMMMGPOBSA-N 2 0 237.307 -0.049 10 0 BBAERP C/C(=C\C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258140 538072039 /nfs/dbraw/zinc/07/20/39/538072039.db2.gz IHBKVDYHIVEHJL-KRXBUXKQSA-N 2 0 235.291 -0.129 10 0 BBAERP CC(C)[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258146 538072064 /nfs/dbraw/zinc/07/20/64/538072064.db2.gz IMTGJKZIFVXPQS-UHFFFAOYSA-N 2 0 237.307 -0.036 10 0 BBAERP [NH3+]CCOCCNc1ccnn1C1C[NH2+]C1 ZINC000725258147 538072073 /nfs/dbraw/zinc/07/20/73/538072073.db2.gz IOWCIMRVWGWASR-UHFFFAOYSA-N 2 0 225.296 -0.585 10 0 BBAERP c1cc(NC[C@@H]2COCC[NH2+]2)n(C2C[NH2+]C2)n1 ZINC000725258158 538071982 /nfs/dbraw/zinc/07/19/82/538071982.db2.gz JDKOORJRQZTATR-SECBINFHSA-N 2 0 237.307 -0.572 10 0 BBAERP c1cc(NC[C@H]2COCC[NH2+]2)n(C2C[NH2+]C2)n1 ZINC000725258159 538071970 /nfs/dbraw/zinc/07/19/70/538071970.db2.gz JDKOORJRQZTATR-VIFPVBQESA-N 2 0 237.307 -0.572 10 0 BBAERP C[C@@H](C[NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258203 566304775 /nfs/dbraw/zinc/30/47/75/566304775.db2.gz KOZQWLPIYKUYEI-MRVPVSSYSA-N 2 0 237.307 -0.049 10 0 BBAERP C[C@H](C[NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258204 566304759 /nfs/dbraw/zinc/30/47/59/566304759.db2.gz KOZQWLPIYKUYEI-QMMMGPOBSA-N 2 0 237.307 -0.049 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1CCC[NH2+]1 ZINC000725258304 538072605 /nfs/dbraw/zinc/07/26/05/538072605.db2.gz NSTIVTPDVYGTLJ-SECBINFHSA-N 2 0 235.291 -0.282 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1CCC[NH2+]1 ZINC000725258305 538072631 /nfs/dbraw/zinc/07/26/31/538072631.db2.gz NSTIVTPDVYGTLJ-VIFPVBQESA-N 2 0 235.291 -0.282 10 0 BBAERP C[NH2+]CCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258322 538072659 /nfs/dbraw/zinc/07/26/59/538072659.db2.gz OJINBTFOQFIYQS-UHFFFAOYSA-N 2 0 237.307 -0.035 10 0 BBAERP [NH3+][C@@]1(CNc2ccnn2C2C[NH2+]C2)CCOC1 ZINC000725258466 538075104 /nfs/dbraw/zinc/07/51/04/538075104.db2.gz PZFGZXVMXCOOJC-LLVKDONJSA-N 2 0 237.307 -0.443 10 0 BBAERP [NH3+][C@]1(CNc2ccnn2C2C[NH2+]C2)CCOC1 ZINC000725258467 538075394 /nfs/dbraw/zinc/07/53/94/538075394.db2.gz PZFGZXVMXCOOJC-NSHDSACASA-N 2 0 237.307 -0.443 10 0 BBAERP C[NH2+][C@H]1C[C@@H](C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258468 538075419 /nfs/dbraw/zinc/07/54/19/538075419.db2.gz PZLDZTVTZUPXHY-DTORHVGOSA-N 2 0 249.318 -0.036 10 0 BBAERP C[NH2+]C1CC(C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258469 538074741 /nfs/dbraw/zinc/07/47/41/538074741.db2.gz PZLDZTVTZUPXHY-UHFFFAOYSA-N 2 0 249.318 -0.036 10 0 BBAERP c1cc(NC[C@H]2CC[NH2+]2)n(C2C[NH2+]C2)n1 ZINC000725258470 538074845 /nfs/dbraw/zinc/07/48/45/538074845.db2.gz PZQFKZGKBGVCDP-MRVPVSSYSA-N 2 0 207.281 -0.199 10 0 BBAERP c1cc(NC[C@@H]2CC[NH2+]2)n(C2C[NH2+]C2)n1 ZINC000725258471 538075365 /nfs/dbraw/zinc/07/53/65/538075365.db2.gz PZQFKZGKBGVCDP-QMMMGPOBSA-N 2 0 207.281 -0.199 10 0 BBAERP [NH3+]C1(C(=O)Nc2ccnn2C2C[NH2+]C2)CCC1 ZINC000725258505 538075325 /nfs/dbraw/zinc/07/53/25/538075325.db2.gz QVDSTFGIMBLTRV-UHFFFAOYSA-N 2 0 235.291 -0.153 10 0 BBAERP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258511 538075357 /nfs/dbraw/zinc/07/53/57/538075357.db2.gz RAGNACVIATTWSK-HTQZYQBOSA-N 2 0 237.307 -0.051 10 0 BBAERP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258512 538075058 /nfs/dbraw/zinc/07/50/58/538075058.db2.gz RAGNACVIATTWSK-JGVFFNPUSA-N 2 0 237.307 -0.051 10 0 BBAERP C[C@@H](C(=O)Nc1ccnn1C1C[NH2+]C1)[C@H](C)[NH3+] ZINC000725258513 538074856 /nfs/dbraw/zinc/07/48/56/538074856.db2.gz RAGNACVIATTWSK-SFYZADRCSA-N 2 0 237.307 -0.051 10 0 BBAERP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258514 538075275 /nfs/dbraw/zinc/07/52/75/538075275.db2.gz RAGNACVIATTWSK-YUMQZZPRSA-N 2 0 237.307 -0.051 10 0 BBAERP CO[C@H](C[NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258515 538075169 /nfs/dbraw/zinc/07/51/69/538075169.db2.gz RAMUNSQKFAPCOP-SECBINFHSA-N 2 0 225.296 -0.587 10 0 BBAERP CO[C@@H](C[NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258516 538074656 /nfs/dbraw/zinc/07/46/56/538074656.db2.gz RAMUNSQKFAPCOP-VIFPVBQESA-N 2 0 225.296 -0.587 10 0 BBAERP [NH3+][C@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725258520 538076049 /nfs/dbraw/zinc/07/60/49/538076049.db2.gz RFGOLTFVWNUJBQ-JTQLQIEISA-N 2 0 235.291 -0.297 10 0 BBAERP [NH3+][C@@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725258521 538076399 /nfs/dbraw/zinc/07/63/99/538076399.db2.gz RFGOLTFVWNUJBQ-SNVBAGLBSA-N 2 0 235.291 -0.297 10 0 BBAERP COCC[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258530 538076025 /nfs/dbraw/zinc/07/60/25/538076025.db2.gz RNUWEENDRCBNSZ-SECBINFHSA-N 2 0 239.323 -0.197 10 0 BBAERP COCC[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725258531 538075739 /nfs/dbraw/zinc/07/57/39/538075739.db2.gz RNUWEENDRCBNSZ-VIFPVBQESA-N 2 0 239.323 -0.197 10 0 BBAERP CC1(C(=O)Nc2ccnn2C2C[NH2+]C2)C[NH2+]C1 ZINC000725258536 538076490 /nfs/dbraw/zinc/07/64/90/538076490.db2.gz RPSUWOAPESRCNQ-UHFFFAOYSA-N 2 0 235.291 -0.425 10 0 BBAERP CC[C@@H]([NH2+]C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258550 538076130 /nfs/dbraw/zinc/07/61/30/538076130.db2.gz SDHPGTAFPPOLEV-SECBINFHSA-N 2 0 237.307 -0.036 10 0 BBAERP CC[C@H]([NH2+]C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258551 538076281 /nfs/dbraw/zinc/07/62/81/538076281.db2.gz SDHPGTAFPPOLEV-VIFPVBQESA-N 2 0 237.307 -0.036 10 0 BBAERP [NH3+]C/C=C/CNc1ccnn1C1C[NH2+]C1 ZINC000725258557 538076273 /nfs/dbraw/zinc/07/62/73/538076273.db2.gz SEZAPXWZVDAPHZ-OWOJBTEDSA-N 2 0 207.281 -0.046 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)C12CC(C1)C[NH2+]2 ZINC000725258563 538076032 /nfs/dbraw/zinc/07/60/32/538076032.db2.gz SLHSRGSPJNEZIN-UHFFFAOYSA-N 2 0 247.302 -0.282 10 0 BBAERP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258566 538076149 /nfs/dbraw/zinc/07/61/49/538076149.db2.gz STEYFAOWDSIIBM-OCAPTIKFSA-N 2 0 235.291 -0.297 10 0 BBAERP [NH3+]C1CC(C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258567 538076522 /nfs/dbraw/zinc/07/65/22/538076522.db2.gz STEYFAOWDSIIBM-UHFFFAOYSA-N 2 0 235.291 -0.297 10 0 BBAERP [NH3+][C@H]1C[C@H](C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258568 538076588 /nfs/dbraw/zinc/07/65/88/538076588.db2.gz STEYFAOWDSIIBM-ZKCHVHJHSA-N 2 0 235.291 -0.297 10 0 BBAERP c1cc(NCC2C[NH2+]C2)n(C2C[NH2+]C2)n1 ZINC000725258596 538076318 /nfs/dbraw/zinc/07/63/18/538076318.db2.gz UMQJEJGIMPCZKM-UHFFFAOYSA-N 2 0 207.281 -0.341 10 0 BBAERP COCC[NH2+]CCNc1ccnn1C1C[NH2+]C1 ZINC000725258600 538076198 /nfs/dbraw/zinc/07/61/98/538076198.db2.gz URNQEOHSFZVVCO-UHFFFAOYSA-N 2 0 239.323 -0.325 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC000725258613 538076256 /nfs/dbraw/zinc/07/62/56/538076256.db2.gz VEFWREFBDUIFMC-MRVPVSSYSA-N 2 0 235.291 -0.425 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC000725258614 538076454 /nfs/dbraw/zinc/07/64/54/538076454.db2.gz VEFWREFBDUIFMC-QMMMGPOBSA-N 2 0 235.291 -0.425 10 0 BBAERP O=C(C[NH2+]C1CC1)Nc1ccnn1C1C[NH2+]C1 ZINC000725258615 538076670 /nfs/dbraw/zinc/07/66/70/538076670.db2.gz VGFZLZPBDKTIBP-UHFFFAOYSA-N 2 0 235.291 -0.282 10 0 BBAERP [NH3+]C1(CC(=O)Nc2ccnn2C2C[NH2+]C2)CC1 ZINC000725258657 538076728 /nfs/dbraw/zinc/07/67/28/538076728.db2.gz WEFNYQXCLIXSKG-UHFFFAOYSA-N 2 0 235.291 -0.153 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1CC[NH2+]1 ZINC000725258673 538076711 /nfs/dbraw/zinc/07/67/11/538076711.db2.gz WYTSAFKOALDJJF-MRVPVSSYSA-N 2 0 221.264 -0.672 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1CC[NH2+]1 ZINC000725258674 538076650 /nfs/dbraw/zinc/07/66/50/538076650.db2.gz WYTSAFKOALDJJF-QMMMGPOBSA-N 2 0 221.264 -0.672 10 0 BBAERP C[NH2+]C[C@@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258683 538078243 /nfs/dbraw/zinc/07/82/43/538078243.db2.gz XFYJBKPUDSYXJL-MRVPVSSYSA-N 2 0 237.307 -0.179 10 0 BBAERP C[NH2+]C[C@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258684 538078094 /nfs/dbraw/zinc/07/80/94/538078094.db2.gz XFYJBKPUDSYXJL-QMMMGPOBSA-N 2 0 237.307 -0.179 10 0 BBAERP [NH3+]CC1(C(=O)Nc2ccnn2C2C[NH2+]C2)CC1 ZINC000725258704 538075763 /nfs/dbraw/zinc/07/57/63/538075763.db2.gz XPLHVHBAMDLSJN-UHFFFAOYSA-N 2 0 235.291 -0.295 10 0 BBAERP c1cc(NC[C@@H]2C[NH2+]CCO2)n(C2C[NH2+]C2)n1 ZINC000725258707 538076914 /nfs/dbraw/zinc/07/69/14/538076914.db2.gz XRUMPUXIKMVBHQ-JTQLQIEISA-N 2 0 237.307 -0.572 10 0 BBAERP c1cc(NC[C@H]2C[NH2+]CCO2)n(C2C[NH2+]C2)n1 ZINC000725258708 538077073 /nfs/dbraw/zinc/07/70/73/538077073.db2.gz XRUMPUXIKMVBHQ-SNVBAGLBSA-N 2 0 237.307 -0.572 10 0 BBAERP CO[C@H](C[NH3+])CCNc1ccnn1C1C[NH2+]C1 ZINC000725258713 538076853 /nfs/dbraw/zinc/07/68/53/538076853.db2.gz XWHDQODSHHLPDA-JTQLQIEISA-N 2 0 239.323 -0.197 10 0 BBAERP CO[C@@H](C[NH3+])CCNc1ccnn1C1C[NH2+]C1 ZINC000725258714 538077020 /nfs/dbraw/zinc/07/70/20/538077020.db2.gz XWHDQODSHHLPDA-SNVBAGLBSA-N 2 0 239.323 -0.197 10 0 BBAERP CC(C)(C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258724 538077750 /nfs/dbraw/zinc/07/77/50/538077750.db2.gz YERWGMOMPYRFRI-UHFFFAOYSA-N 2 0 237.307 -0.049 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000725258727 538077646 /nfs/dbraw/zinc/07/76/46/538077646.db2.gz YHAZBBGPDYROAM-SECBINFHSA-N 2 0 249.318 -0.035 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000725258728 538077419 /nfs/dbraw/zinc/07/74/19/538077419.db2.gz YHAZBBGPDYROAM-VIFPVBQESA-N 2 0 249.318 -0.035 10 0 BBAERP CC(C)[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258729 538076838 /nfs/dbraw/zinc/07/68/38/538076838.db2.gz YJOPAASRSHMMJA-JTQLQIEISA-N 2 0 237.307 -0.051 10 0 BBAERP CC(C)[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258730 538078201 /nfs/dbraw/zinc/07/82/01/538078201.db2.gz YJOPAASRSHMMJA-SNVBAGLBSA-N 2 0 237.307 -0.051 10 0 BBAERP O[C@H]1C[NH2+][C@@H](CNc2ccnn2C2C[NH2+]C2)C1 ZINC000725258778 538077011 /nfs/dbraw/zinc/07/70/11/538077011.db2.gz ZPVXOQTXFJPKCL-PSASIEDQSA-N 2 0 237.307 -0.838 10 0 BBAERP O[C@@H]1C[NH2+][C@@H](CNc2ccnn2C2C[NH2+]C2)C1 ZINC000725258779 538077731 /nfs/dbraw/zinc/07/77/31/538077731.db2.gz ZPVXOQTXFJPKCL-SCZZXKLOSA-N 2 0 237.307 -0.838 10 0 BBAERP O[C@H]1C[NH2+][C@H](CNc2ccnn2C2C[NH2+]C2)C1 ZINC000725258780 538077544 /nfs/dbraw/zinc/07/75/44/538077544.db2.gz ZPVXOQTXFJPKCL-WCBMZHEXSA-N 2 0 237.307 -0.838 10 0 BBAERP O[C@@H]1C[NH2+][C@H](CNc2ccnn2C2C[NH2+]C2)C1 ZINC000725258781 538078112 /nfs/dbraw/zinc/07/81/12/538078112.db2.gz ZPVXOQTXFJPKCL-WPRPVWTQSA-N 2 0 237.307 -0.838 10 0 BBAERP C[C@H](C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258803 538078138 /nfs/dbraw/zinc/07/81/38/538078138.db2.gz BRJQDPFFCGZBAA-SSDOTTSWSA-N 2 0 223.280 -0.439 10 0 BBAERP C[C@@H](C[NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258804 538077597 /nfs/dbraw/zinc/07/75/97/538077597.db2.gz BRJQDPFFCGZBAA-ZETCQYMHSA-N 2 0 223.280 -0.439 10 0 BBAERP [NH3+][C@@H]1C[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258806 538078189 /nfs/dbraw/zinc/07/81/89/538078189.db2.gz BVDADFUEHKPHQW-HTQZYQBOSA-N 2 0 221.264 -0.687 10 0 BBAERP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258807 538078313 /nfs/dbraw/zinc/07/83/13/538078313.db2.gz BVDADFUEHKPHQW-JGVFFNPUSA-N 2 0 221.264 -0.687 10 0 BBAERP [NH3+][C@H]1C[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258808 538077919 /nfs/dbraw/zinc/07/79/19/538077919.db2.gz BVDADFUEHKPHQW-SFYZADRCSA-N 2 0 221.264 -0.687 10 0 BBAERP [NH3+][C@H]1C[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258809 538077266 /nfs/dbraw/zinc/07/72/66/538077266.db2.gz BVDADFUEHKPHQW-YUMQZZPRSA-N 2 0 221.264 -0.687 10 0 BBAERP CC[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258810 538077468 /nfs/dbraw/zinc/07/74/68/538077468.db2.gz BVSDBXJNFYSWNJ-UHFFFAOYSA-N 2 0 223.280 -0.425 10 0 BBAERP [NH3+]C1(C(=O)Nc2ccnn2C2C[NH2+]C2)CC1 ZINC000725258811 538077895 /nfs/dbraw/zinc/07/78/95/538077895.db2.gz CDCGHERIOIIIMU-UHFFFAOYSA-N 2 0 221.264 -0.543 10 0 BBAERP [NH3+]CCCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258814 538077051 /nfs/dbraw/zinc/07/70/51/538077051.db2.gz CNJOUNGFUIVDJT-UHFFFAOYSA-N 2 0 223.280 -0.295 10 0 BBAERP [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258815 538077027 /nfs/dbraw/zinc/07/70/27/538077027.db2.gz COEOUIWNZJNKEI-BDAKNGLRSA-N 2 0 247.302 -0.131 10 0 BBAERP [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258816 538077434 /nfs/dbraw/zinc/07/74/34/538077434.db2.gz COEOUIWNZJNKEI-DTWKUNHWSA-N 2 0 247.302 -0.131 10 0 BBAERP [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258817 538078336 /nfs/dbraw/zinc/07/83/36/538078336.db2.gz COEOUIWNZJNKEI-IUCAKERBSA-N 2 0 247.302 -0.131 10 0 BBAERP [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccnn2C2C[NH2+]C2)C1 ZINC000725258818 538077841 /nfs/dbraw/zinc/07/78/41/538077841.db2.gz COEOUIWNZJNKEI-RKDXNWHRSA-N 2 0 247.302 -0.131 10 0 BBAERP O=C(C[NH2+]CC1CC1)Nc1ccnn1C1C[NH2+]C1 ZINC000725258820 538078165 /nfs/dbraw/zinc/07/81/65/538078165.db2.gz DDIXPWMILABYAG-UHFFFAOYSA-N 2 0 249.318 -0.035 10 0 BBAERP C[NH2+]CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258870 538077138 /nfs/dbraw/zinc/07/71/38/538077138.db2.gz HPWMHYTYCXZKKS-UHFFFAOYSA-N 2 0 223.280 -0.425 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)C1C[NH2+]C1 ZINC000725258890 538077172 /nfs/dbraw/zinc/07/71/72/538077172.db2.gz JCYJKCWSVWIYNF-UHFFFAOYSA-N 2 0 221.264 -0.815 10 0 BBAERP C[NH2+]C(C)(C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258897 538078081 /nfs/dbraw/zinc/07/80/81/538078081.db2.gz JGVKFQMUOSALBU-UHFFFAOYSA-N 2 0 237.307 -0.036 10 0 BBAERP C[NH2+][C@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258938 538078128 /nfs/dbraw/zinc/07/81/28/538078128.db2.gz JZTCQLXUNWIQRY-SSDOTTSWSA-N 2 0 223.280 -0.426 10 0 BBAERP C[NH2+][C@@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258940 538077129 /nfs/dbraw/zinc/07/71/29/538077129.db2.gz JZTCQLXUNWIQRY-ZETCQYMHSA-N 2 0 223.280 -0.426 10 0 BBAERP C[C@@H]([NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258941 538077824 /nfs/dbraw/zinc/07/78/24/538077824.db2.gz KCUCSJFQUFWZIS-SSDOTTSWSA-N 2 0 223.280 -0.297 10 0 BBAERP C[C@H]([NH3+])CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258944 538076959 /nfs/dbraw/zinc/07/69/59/538076959.db2.gz KCUCSJFQUFWZIS-ZETCQYMHSA-N 2 0 223.280 -0.297 10 0 BBAERP [NH3+]CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259188 582798048 /nfs/dbraw/zinc/79/80/48/582798048.db2.gz LQXQIAFNPYHTTO-UHFFFAOYSA-N 2 0 209.253 -0.685 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)C1CC[NH2+]CC1 ZINC000725259189 582798806 /nfs/dbraw/zinc/79/88/06/582798806.db2.gz LVMQUSQEMVOSLO-UHFFFAOYSA-N 2 0 249.318 -0.035 10 0 BBAERP CC[NH2+]CCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259199 582798676 /nfs/dbraw/zinc/79/86/76/582798676.db2.gz NAJRMQVSBYPYHX-UHFFFAOYSA-N 2 0 237.307 -0.035 10 0 BBAERP C[NH2+]CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259207 582798547 /nfs/dbraw/zinc/79/85/47/582798547.db2.gz NLHRGLIYXFSOCC-UHFFFAOYSA-N 2 0 209.253 -0.815 10 0 BBAERP C[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259219 582798728 /nfs/dbraw/zinc/79/87/28/582798728.db2.gz PPQUYGSPRAOJPO-LURJTMIESA-N 2 0 209.253 -0.687 10 0 BBAERP C[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259220 582798641 /nfs/dbraw/zinc/79/86/41/582798641.db2.gz PPQUYGSPRAOJPO-ZCFIWIBFSA-N 2 0 209.253 -0.687 10 0 BBAERP [NH3+]C/C=C/C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259234 538079504 /nfs/dbraw/zinc/07/95/04/538079504.db2.gz RZYUJYPMPRYSBY-OWOJBTEDSA-N 2 0 221.264 -0.519 10 0 BBAERP CC[C@@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259239 538079579 /nfs/dbraw/zinc/07/95/79/538079579.db2.gz SBFYSTNJPRHECP-MRVPVSSYSA-N 2 0 223.280 -0.297 10 0 BBAERP CC[C@H]([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259241 538079563 /nfs/dbraw/zinc/07/95/63/538079563.db2.gz SBFYSTNJPRHECP-QMMMGPOBSA-N 2 0 223.280 -0.297 10 0 BBAERP CC(C)([NH3+])C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259264 566305973 /nfs/dbraw/zinc/30/59/73/566305973.db2.gz SWPPNGNEDPABQK-UHFFFAOYSA-N 2 0 223.280 -0.297 10 0 BBAERP CCC1(C(=O)Nc2ccnn2C2C[NH2+]C2)C[NH2+]C1 ZINC000725259283 566305679 /nfs/dbraw/zinc/30/56/79/566305679.db2.gz VANRQSQVRDLTCW-UHFFFAOYSA-N 2 0 249.318 -0.035 10 0 BBAERP C[C@@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1C[NH2+]C1 ZINC000725259290 582800375 /nfs/dbraw/zinc/80/03/75/582800375.db2.gz VGPFATPKYSUPGM-MRVPVSSYSA-N 2 0 249.318 -0.179 10 0 BBAERP C[C@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1C[NH2+]C1 ZINC000725259294 582800960 /nfs/dbraw/zinc/80/09/60/582800960.db2.gz VGPFATPKYSUPGM-QMMMGPOBSA-N 2 0 249.318 -0.179 10 0 BBAERP CC(C(=O)Nc1ccnn1C1C[NH2+]C1)=C1C[NH2+]C1 ZINC000725259322 566306265 /nfs/dbraw/zinc/30/62/65/566306265.db2.gz WFWISOONKZTTHP-UHFFFAOYSA-N 2 0 247.302 -0.114 10 0 BBAERP [NH3+]C[C@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725259531 541333553 /nfs/dbraw/zinc/33/35/53/541333553.db2.gz DHBSCGFNGSNQNH-JTQLQIEISA-N 2 0 249.318 -0.049 10 0 BBAERP [NH3+]C[C@@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725259532 541333801 /nfs/dbraw/zinc/33/38/01/541333801.db2.gz DHBSCGFNGSNQNH-SNVBAGLBSA-N 2 0 249.318 -0.049 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2 ZINC000725259664 582803000 /nfs/dbraw/zinc/80/30/00/582803000.db2.gz GDJMLWXPJCSUDE-OVYXKVPISA-N 2 0 247.302 -0.426 10 0 BBAERP C[NH2+]C1(C(=O)Nc2ccnn2C2C[NH2+]C2)CC1 ZINC000725259749 538080708 /nfs/dbraw/zinc/08/07/08/538080708.db2.gz HSOQQGCHAQTVSG-UHFFFAOYSA-N 2 0 235.291 -0.282 10 0 BBAERP [NH3+]C[C@H](O)CCNc1ccnn1C1C[NH2+]C1 ZINC000725259758 538080635 /nfs/dbraw/zinc/08/06/35/538080635.db2.gz IJACBDUZNDHLDD-SECBINFHSA-N 2 0 225.296 -0.851 10 0 BBAERP [NH3+]C[C@@H](O)CCNc1ccnn1C1C[NH2+]C1 ZINC000725259764 538081065 /nfs/dbraw/zinc/08/10/65/538081065.db2.gz IJACBDUZNDHLDD-VIFPVBQESA-N 2 0 225.296 -0.851 10 0 BBAERP c1cc(NC[C@H]2[C@H]3C[NH2+]C[C@@H]23)n(C2C[NH2+]C2)n1 ZINC000725259800 538080695 /nfs/dbraw/zinc/08/06/95/538080695.db2.gz JCXMOYMZPFARBN-JGPRNRPPSA-N 2 0 233.319 -0.095 10 0 BBAERP c1cc(NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)n(C2C[NH2+]C2)n1 ZINC000725259809 538080769 /nfs/dbraw/zinc/08/07/69/538080769.db2.gz JCXMOYMZPFARBN-URLYPYJESA-N 2 0 233.319 -0.095 10 0 BBAERP CC[NH2+][C@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259919 582804303 /nfs/dbraw/zinc/80/43/03/582804303.db2.gz KRYCMGBAQNYZFI-MRVPVSSYSA-N 2 0 237.307 -0.036 10 0 BBAERP CC[NH2+][C@@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259921 582804238 /nfs/dbraw/zinc/80/42/38/582804238.db2.gz KRYCMGBAQNYZFI-QMMMGPOBSA-N 2 0 237.307 -0.036 10 0 BBAERP O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000725260020 538081477 /nfs/dbraw/zinc/08/14/77/538081477.db2.gz MESHOKBJUXQBCG-JZYVYDRUSA-N 2 0 247.302 -0.569 10 0 BBAERP CO[C@H](C)[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260180 541334279 /nfs/dbraw/zinc/33/42/79/541334279.db2.gz OPBKQBACOYSMEP-PSASIEDQSA-N 2 0 239.323 -0.199 10 0 BBAERP CO[C@H](C)[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260181 541334305 /nfs/dbraw/zinc/33/43/05/541334305.db2.gz OPBKQBACOYSMEP-SCZZXKLOSA-N 2 0 239.323 -0.199 10 0 BBAERP CO[C@@H](C)[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260182 541334935 /nfs/dbraw/zinc/33/49/35/541334935.db2.gz OPBKQBACOYSMEP-WCBMZHEXSA-N 2 0 239.323 -0.199 10 0 BBAERP CO[C@@H](C)[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260183 541334447 /nfs/dbraw/zinc/33/44/47/541334447.db2.gz OPBKQBACOYSMEP-WPRPVWTQSA-N 2 0 239.323 -0.199 10 0 BBAERP CN(C)C[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260207 541334565 /nfs/dbraw/zinc/33/45/65/541334565.db2.gz PFNAUMBAGVSZJO-SECBINFHSA-N 2 0 238.339 -0.672 10 0 BBAERP CN(C)C[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260208 541334769 /nfs/dbraw/zinc/33/47/69/541334769.db2.gz PFNAUMBAGVSZJO-VIFPVBQESA-N 2 0 238.339 -0.672 10 0 BBAERP [NH3+]C[C@H]1C[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260226 541334545 /nfs/dbraw/zinc/33/45/45/541334545.db2.gz PKZSDUISYJWJSV-APPZFPTMSA-N 2 0 235.291 -0.439 10 0 BBAERP [NH3+]C[C@@H]1C[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260227 541334675 /nfs/dbraw/zinc/33/46/75/541334675.db2.gz PKZSDUISYJWJSV-CBAPKCEASA-N 2 0 235.291 -0.439 10 0 BBAERP [NH3+]C[C@@H]1C[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260228 541334608 /nfs/dbraw/zinc/33/46/08/541334608.db2.gz PKZSDUISYJWJSV-IONNQARKSA-N 2 0 235.291 -0.439 10 0 BBAERP [NH3+]C[C@H]1C[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260230 541334411 /nfs/dbraw/zinc/33/44/11/541334411.db2.gz PKZSDUISYJWJSV-VXNVDRBHSA-N 2 0 235.291 -0.439 10 0 BBAERP [NH3+][C@@H]1CCO[C@@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725260498 538082344 /nfs/dbraw/zinc/08/23/44/538082344.db2.gz VAEATIAQYCBQGY-NXEZZACHSA-N 2 0 237.307 -0.445 10 0 BBAERP [NH3+][C@H]1CCO[C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725260499 538082776 /nfs/dbraw/zinc/08/27/76/538082776.db2.gz VAEATIAQYCBQGY-UWVGGRQHSA-N 2 0 237.307 -0.445 10 0 BBAERP [NH3+][C@H]1CCO[C@@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725260500 538082288 /nfs/dbraw/zinc/08/22/88/538082288.db2.gz VAEATIAQYCBQGY-VHSXEESVSA-N 2 0 237.307 -0.445 10 0 BBAERP [NH3+][C@@H]1CCO[C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725260501 538082274 /nfs/dbraw/zinc/08/22/74/538082274.db2.gz VAEATIAQYCBQGY-ZJUUUORDSA-N 2 0 237.307 -0.445 10 0 BBAERP O=C(CCC1C[NH2+]C1)Nc1ccnn1C1C[NH2+]C1 ZINC000725260672 538083252 /nfs/dbraw/zinc/08/32/52/538083252.db2.gz XVWPTUDFWOALRR-UHFFFAOYSA-N 2 0 249.318 -0.035 10 0 BBAERP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260754 538083987 /nfs/dbraw/zinc/08/39/87/538083987.db2.gz ZFQONGVJIDXTOU-JTQLQIEISA-N 2 0 249.318 -0.036 10 0 BBAERP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260756 538084113 /nfs/dbraw/zinc/08/41/13/538084113.db2.gz ZFQONGVJIDXTOU-SNVBAGLBSA-N 2 0 249.318 -0.036 10 0 BBAERP C[N@@H+]1CCc2nnc(N3CC[NH2+]CC3)cc2C1 ZINC000725264828 538092199 /nfs/dbraw/zinc/09/21/99/538092199.db2.gz HSNUNJBDMRQNPF-UHFFFAOYSA-N 2 0 233.319 -0.126 10 0 BBAERP C[NH+](C)CC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269076 538101278 /nfs/dbraw/zinc/10/12/78/538101278.db2.gz DAQKFSMTXKVGRR-JTQLQIEISA-N 2 0 241.335 -0.425 10 0 BBAERP C[NH+](C)CC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269077 538101282 /nfs/dbraw/zinc/10/12/82/538101282.db2.gz DAQKFSMTXKVGRR-SNVBAGLBSA-N 2 0 241.335 -0.425 10 0 BBAERP [NH3+]CCn1nnc([C@H]2CCCCO2)c1C[NH3+] ZINC000725269284 538101563 /nfs/dbraw/zinc/10/15/63/538101563.db2.gz OFUAAHKLHFJZST-SECBINFHSA-N 2 0 225.296 -0.063 10 0 BBAERP [NH3+]CCn1nnc([C@@H]2CCCCO2)c1C[NH3+] ZINC000725269288 538101461 /nfs/dbraw/zinc/10/14/61/538101461.db2.gz OFUAAHKLHFJZST-VIFPVBQESA-N 2 0 225.296 -0.063 10 0 BBAERP C[NH+](C)CC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269982 538102267 /nfs/dbraw/zinc/10/22/67/538102267.db2.gz VWACENIHNFUMPX-JTQLQIEISA-N 2 0 241.335 -0.343 10 0 BBAERP C[NH+](C)CC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269984 538101870 /nfs/dbraw/zinc/10/18/70/538101870.db2.gz VWACENIHNFUMPX-SNVBAGLBSA-N 2 0 241.335 -0.343 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)C[NH+](C)C ZINC000725270925 538103148 /nfs/dbraw/zinc/10/31/48/538103148.db2.gz GZSIOTADLGPFAF-NXEZZACHSA-N 2 0 213.325 -0.090 10 0 BBAERP C[C@H]1C[NH2+]CC[C@H]1CNC(=O)C[NH+](C)C ZINC000725270937 538103156 /nfs/dbraw/zinc/10/31/56/538103156.db2.gz GZSIOTADLGPFAF-UWVGGRQHSA-N 2 0 213.325 -0.090 10 0 BBAERP C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)C[NH+](C)C ZINC000725270938 538102987 /nfs/dbraw/zinc/10/29/87/538102987.db2.gz GZSIOTADLGPFAF-VHSXEESVSA-N 2 0 213.325 -0.090 10 0 BBAERP C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)C[NH+](C)C ZINC000725270941 538103168 /nfs/dbraw/zinc/10/31/68/538103168.db2.gz GZSIOTADLGPFAF-ZJUUUORDSA-N 2 0 213.325 -0.090 10 0 BBAERP C[NH+](C)CC(=O)N1CCC[NH2+]CCOCC1 ZINC000725271806 538103681 /nfs/dbraw/zinc/10/36/81/538103681.db2.gz SZGHOQGHHFCYJY-UHFFFAOYSA-N 2 0 229.324 -0.614 10 0 BBAERP C[NH2+]CCC1=NCCN1C(=O)C[NH+](C)C ZINC000725272379 538104247 /nfs/dbraw/zinc/10/42/47/538104247.db2.gz MFUUDTQYKUULHG-UHFFFAOYSA-N 2 0 212.297 -0.602 10 0 BBAERP C[NH+](C)C[C@@H]1COC[C@H]1N1CC[NH2+]CC1 ZINC000725273520 541340681 /nfs/dbraw/zinc/34/06/81/541340681.db2.gz ITHFMLQOTWVLSU-GHMZBOCLSA-N 2 0 213.325 -0.532 10 0 BBAERP C[NH+](C)C[C@@H]1COC[C@@H]1N1CC[NH2+]CC1 ZINC000725273521 541340645 /nfs/dbraw/zinc/34/06/45/541340645.db2.gz ITHFMLQOTWVLSU-MNOVXSKESA-N 2 0 213.325 -0.532 10 0 BBAERP C[NH+](C)C[C@H]1COC[C@@H]1N1CC[NH2+]CC1 ZINC000725273522 541340731 /nfs/dbraw/zinc/34/07/31/541340731.db2.gz ITHFMLQOTWVLSU-QWRGUYRKSA-N 2 0 213.325 -0.532 10 0 BBAERP C[NH+](C)C[C@H]1COC[C@H]1N1CC[NH2+]CC1 ZINC000725273523 541340438 /nfs/dbraw/zinc/34/04/38/541340438.db2.gz ITHFMLQOTWVLSU-WDEREUQCSA-N 2 0 213.325 -0.532 10 0 BBAERP C[C@@H]1CN([C@@H]2COC[C@@H]2C[NH+](C)C)CC[NH2+]1 ZINC000725273759 538104838 /nfs/dbraw/zinc/10/48/38/538104838.db2.gz ALJUAAXPEPRNDQ-GRYCIOLGSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1CN([C@@H]2COC[C@H]2C[NH+](C)C)CC[NH2+]1 ZINC000725273760 538104846 /nfs/dbraw/zinc/10/48/46/538104846.db2.gz ALJUAAXPEPRNDQ-IJLUTSLNSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1CN([C@H]2COC[C@H]2C[NH+](C)C)CC[NH2+]1 ZINC000725273761 538105016 /nfs/dbraw/zinc/10/50/16/538105016.db2.gz ALJUAAXPEPRNDQ-UTUOFQBUSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1CN([C@H]2COC[C@@H]2C[NH+](C)C)CC[NH2+]1 ZINC000725273762 538104764 /nfs/dbraw/zinc/10/47/64/538104764.db2.gz ALJUAAXPEPRNDQ-WOPDTQHZSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@H](O)CN(C)[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273842 538104817 /nfs/dbraw/zinc/10/48/17/538104817.db2.gz MXLGZQRPIAGHEJ-AXFHLTTASA-N 2 0 216.325 -0.124 10 0 BBAERP C[C@H](O)CN(C)[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273843 538104789 /nfs/dbraw/zinc/10/47/89/538104789.db2.gz MXLGZQRPIAGHEJ-DCAQKATOSA-N 2 0 216.325 -0.124 10 0 BBAERP C[C@H](O)CN(C)[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273844 538105040 /nfs/dbraw/zinc/10/50/40/538105040.db2.gz MXLGZQRPIAGHEJ-GARJFASQSA-N 2 0 216.325 -0.124 10 0 BBAERP C[C@H](O)CN(C)[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273845 538104905 /nfs/dbraw/zinc/10/49/05/538104905.db2.gz MXLGZQRPIAGHEJ-HBNTYKKESA-N 2 0 216.325 -0.124 10 0 BBAERP C[C@@H]1C[NH2+]CCN1[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273874 538104767 /nfs/dbraw/zinc/10/47/67/538104767.db2.gz PMADTANJXNDQMA-GRYCIOLGSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1C[NH2+]CCN1[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273875 538104778 /nfs/dbraw/zinc/10/47/78/538104778.db2.gz PMADTANJXNDQMA-IJLUTSLNSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1C[NH2+]CCN1[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273876 538104921 /nfs/dbraw/zinc/10/49/21/538104921.db2.gz PMADTANJXNDQMA-UTUOFQBUSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1C[NH2+]CCN1[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273877 538105014 /nfs/dbraw/zinc/10/50/14/538105014.db2.gz PMADTANJXNDQMA-WOPDTQHZSA-N 2 0 227.352 -0.143 10 0 BBAERP C[C@@H]1C[NH2+]CCN1C1CCN(CC[NH3+])CC1 ZINC000725273893 538105062 /nfs/dbraw/zinc/10/50/62/538105062.db2.gz RAIYVHMMJPLAJN-LLVKDONJSA-N 2 0 226.368 -0.297 10 0 BBAERP C[C@H]1C[NH2+]CCN1C1CCN(CC[NH3+])CC1 ZINC000725273894 538104843 /nfs/dbraw/zinc/10/48/43/538104843.db2.gz RAIYVHMMJPLAJN-NSHDSACASA-N 2 0 226.368 -0.297 10 0 BBAERP NC(=O)[C@H]1CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000757145265 582526882 /nfs/dbraw/zinc/52/68/82/582526882.db2.gz KZVBQJJTUAWRJG-NXEZZACHSA-N 2 0 211.309 -0.064 10 0 BBAERP NC(=O)[C@@H]1CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000757145272 582527360 /nfs/dbraw/zinc/52/73/60/582527360.db2.gz KZVBQJJTUAWRJG-UWVGGRQHSA-N 2 0 211.309 -0.064 10 0 BBAERP NC(=O)[C@H]1CC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000757145276 582527402 /nfs/dbraw/zinc/52/74/02/582527402.db2.gz KZVBQJJTUAWRJG-VHSXEESVSA-N 2 0 211.309 -0.064 10 0 BBAERP NC(=O)[C@@H]1CC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000757145284 582527546 /nfs/dbraw/zinc/52/75/46/582527546.db2.gz KZVBQJJTUAWRJG-ZJUUUORDSA-N 2 0 211.309 -0.064 10 0 BBAERP C[NH+]1CCC2(CC1)NCCC1(C[NH2+]C1)O2 ZINC000757148322 582532596 /nfs/dbraw/zinc/53/25/96/582532596.db2.gz NBKLKHXUSZBSFJ-UHFFFAOYSA-N 2 0 211.309 -0.240 10 0 BBAERP NC(=O)[C@H]1CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757155771 582540090 /nfs/dbraw/zinc/54/00/90/582540090.db2.gz HHRJRXBUDQTQEL-URJDPWSZSA-N 2 0 209.293 -0.171 10 0 BBAERP NC(=O)[C@@H]1CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757155778 582540028 /nfs/dbraw/zinc/54/00/28/582540028.db2.gz HHRJRXBUDQTQEL-WPXGONGXSA-N 2 0 209.293 -0.171 10 0 BBAERP COC[C@@H](CCC[NH3+])[N@@H+]1CC[C@H]1C(N)=O ZINC000757157423 582541406 /nfs/dbraw/zinc/54/14/06/582541406.db2.gz NAHFLXLYSULNPZ-BDAKNGLRSA-N 2 0 215.297 -0.700 10 0 BBAERP COC[C@H](CCC[NH3+])[N@@H+]1CC[C@@H]1C(N)=O ZINC000757157428 582540991 /nfs/dbraw/zinc/54/09/91/582540991.db2.gz NAHFLXLYSULNPZ-DTWKUNHWSA-N 2 0 215.297 -0.700 10 0 BBAERP COC[C@H](CCC[NH3+])[N@@H+]1CC[C@H]1C(N)=O ZINC000757157430 582541044 /nfs/dbraw/zinc/54/10/44/582541044.db2.gz NAHFLXLYSULNPZ-IUCAKERBSA-N 2 0 215.297 -0.700 10 0 BBAERP COC[C@@H](CCC[NH3+])[N@@H+]1CC[C@@H]1C(N)=O ZINC000757157431 582541018 /nfs/dbraw/zinc/54/10/18/582541018.db2.gz NAHFLXLYSULNPZ-RKDXNWHRSA-N 2 0 215.297 -0.700 10 0 BBAERP NC(=O)[C@@H]1CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000757160209 582543445 /nfs/dbraw/zinc/54/34/45/582543445.db2.gz RGCHQAFYDDIHFM-JTQLQIEISA-N 2 0 211.309 -0.064 10 0 BBAERP NC(=O)[C@H]1CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000757160210 582543653 /nfs/dbraw/zinc/54/36/53/582543653.db2.gz RGCHQAFYDDIHFM-SNVBAGLBSA-N 2 0 211.309 -0.064 10 0 BBAERP C[C@H](C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757163394 586432437 /nfs/dbraw/zinc/43/24/37/586432437.db2.gz ZREHAUCFFLRYJQ-PSASIEDQSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@H](C1CC[NH2+]CC1)[N@@H+]1CC[C@H]1C(N)=O ZINC000757163396 586432431 /nfs/dbraw/zinc/43/24/31/586432431.db2.gz ZREHAUCFFLRYJQ-SCZZXKLOSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H](C1CC[NH2+]CC1)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757163400 586432711 /nfs/dbraw/zinc/43/27/11/586432711.db2.gz ZREHAUCFFLRYJQ-WCBMZHEXSA-N 2 0 211.309 -0.066 10 0 BBAERP C[C@@H](C1CC[NH2+]CC1)[N@@H+]1CC[C@H]1C(N)=O ZINC000757163403 586432816 /nfs/dbraw/zinc/43/28/16/586432816.db2.gz ZREHAUCFFLRYJQ-WPRPVWTQSA-N 2 0 211.309 -0.066 10 0 BBAERP [NH3+]C[C@@H]1OC(=O)C[C@]12C[NH+]1CCC2CC1 ZINC000757217199 586441231 /nfs/dbraw/zinc/44/12/31/586441231.db2.gz JAFIIJRWTVZQGU-GXSJLCMTSA-N 2 0 210.277 -0.027 10 0 BBAERP [NH3+]C[C@H]1OC(=O)C[C@@]12C[NH+]1CCC2CC1 ZINC000757217205 586441426 /nfs/dbraw/zinc/44/14/26/586441426.db2.gz JAFIIJRWTVZQGU-KOLCDFICSA-N 2 0 210.277 -0.027 10 0 BBAERP [NH3+]C[C@H]1OC(=O)C[C@]12C[NH+]1CCC2CC1 ZINC000757217207 586440580 /nfs/dbraw/zinc/44/05/80/586440580.db2.gz JAFIIJRWTVZQGU-MWLCHTKSSA-N 2 0 210.277 -0.027 10 0 BBAERP [NH3+]C[C@@H]1OC(=O)C[C@@]12C[NH+]1CCC2CC1 ZINC000757217209 586441420 /nfs/dbraw/zinc/44/14/20/586441420.db2.gz JAFIIJRWTVZQGU-ONGXEEELSA-N 2 0 210.277 -0.027 10 0 BBAERP C[NH2+]CCCn1nnc2c1nc[nH+]c2NN ZINC000757564269 586461409 /nfs/dbraw/zinc/46/14/09/586461409.db2.gz CYAKTMHEHRBVLY-UHFFFAOYSA-N 2 0 222.256 -0.884 10 0 BBAERP C[NH+](C)CCCn1nnc2c1nc[nH+]c2NN ZINC000757569621 586367092 /nfs/dbraw/zinc/36/70/92/586367092.db2.gz UBMQADAJRQPBAK-UHFFFAOYSA-N 2 0 236.283 -0.541 10 0 BBAERP C[NH+](C)CCn1nnc2c1nc[nH+]c2NN ZINC000757570499 586462370 /nfs/dbraw/zinc/46/23/70/586462370.db2.gz WYDBYNVYTCYCFB-UHFFFAOYSA-N 2 0 222.256 -0.932 10 0 BBAERP