smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000003599644 173068708 /nfs/dbraw/zinc/06/87/08/173068708.db2.gz JDSZAPBISRHOMR-UHFFFAOYSA-N 2 2 226.324 -0.399 10 0 BBAELP [NH3+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+] ZINC000005178755 181381695 /nfs/dbraw/zinc/38/16/95/181381695.db2.gz BELZJFWUNQWBES-UHFFFAOYSA-N 5 2 245.415 -0.767 10 0 in-vitro BBAELP C[C@@H]1C[NH+]=C2C(N3CC[NH2+]CC3)=NC=CN21 ZINC000011422384 176323922 /nfs/dbraw/zinc/32/39/22/176323922.db2.gz FNXRPSLJPVZLGZ-SECBINFHSA-N 2 2 219.292 -0.123 10 0 BBAELP C[C@H]1C[NH+]=C2C(N3CC[NH2+]CC3)=NC=CN21 ZINC000011422385 177282100 /nfs/dbraw/zinc/28/21/00/177282100.db2.gz FNXRPSLJPVZLGZ-VIFPVBQESA-N 2 2 219.292 -0.123 10 0 BBAELP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000011885788 384674420 /nfs/dbraw/zinc/67/44/20/384674420.db2.gz UXBLAKGLNRUSJP-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000011885788 384674416 /nfs/dbraw/zinc/67/44/16/384674416.db2.gz UXBLAKGLNRUSJP-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCO1 ZINC000011885791 345051879 /nfs/dbraw/zinc/05/18/79/345051879.db2.gz UXBLAKGLNRUSJP-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCCO2)CCO1 ZINC000011885791 345051875 /nfs/dbraw/zinc/05/18/75/345051875.db2.gz UXBLAKGLNRUSJP-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]CCCC[NH+](CCC[NH3+])CCC[NH3+] ZINC000013377753 560215690 /nfs/dbraw/zinc/21/56/90/560215690.db2.gz CAARYRKDWMNHCB-UHFFFAOYSA-N 4 2 202.346 -0.275 10 0 in-vitro BBAELP CC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+] ZINC000013522208 170112490 /nfs/dbraw/zinc/11/24/90/170112490.db2.gz KGQJFMWBIDICOP-UHFFFAOYSA-N 4 2 216.373 -0.096 10 0 BBAELP C[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]C ZINC000013602316 173349033 /nfs/dbraw/zinc/34/90/33/173349033.db2.gz BMJCJVTXKSZCRL-UHFFFAOYSA-N 4 2 216.373 -0.225 10 0 BBAELP [NH3+]C[C@@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000019405262 132324683 /nfs/dbraw/zinc/32/46/83/132324683.db2.gz LQYDMMFPCPPRBL-LLVKDONJSA-N 2 2 236.319 -0.477 10 0 BBAELP [NH3+]C[C@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000019405265 132324654 /nfs/dbraw/zinc/32/46/54/132324654.db2.gz LQYDMMFPCPPRBL-NSHDSACASA-N 2 2 236.319 -0.477 10 0 BBAELP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000019411762 182187488 /nfs/dbraw/zinc/18/74/88/182187488.db2.gz WSQGIAPXMIIGCY-NSHDSACASA-N 2 2 241.335 -0.566 10 0 BBAELP NC(=[NH2+])CC[NH+]1CCN(c2ncccn2)CC1 ZINC000019422907 132324965 /nfs/dbraw/zinc/32/49/65/132324965.db2.gz GQAFZZBYNCIPNT-UHFFFAOYSA-N 2 2 234.307 -0.075 10 0 BBAELP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000019423704 176283223 /nfs/dbraw/zinc/28/32/23/176283223.db2.gz IOWKWEQHZIRNPG-SNVBAGLBSA-N 2 2 227.308 -0.861 10 0 BBAELP C[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000019423704 176283222 /nfs/dbraw/zinc/28/32/22/176283222.db2.gz IOWKWEQHZIRNPG-SNVBAGLBSA-N 2 2 227.308 -0.861 10 0 BBAELP C[C@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000019423706 177243757 /nfs/dbraw/zinc/24/37/57/177243757.db2.gz IOWKWEQHZIRNPG-JTQLQIEISA-N 2 2 227.308 -0.861 10 0 BBAELP C[C@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000019423706 177243755 /nfs/dbraw/zinc/24/37/55/177243755.db2.gz IOWKWEQHZIRNPG-JTQLQIEISA-N 2 2 227.308 -0.861 10 0 BBAELP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCO[C@@H](C)C1 ZINC000019473404 177273688 /nfs/dbraw/zinc/27/36/88/177273688.db2.gz BJWAZOYZOXZMPU-QWRGUYRKSA-N 2 2 241.335 -0.473 10 0 BBAELP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000019473404 177273686 /nfs/dbraw/zinc/27/36/86/177273686.db2.gz BJWAZOYZOXZMPU-QWRGUYRKSA-N 2 2 241.335 -0.473 10 0 BBAELP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CSC[NH2+]1 ZINC000019488452 182314857 /nfs/dbraw/zinc/31/48/57/182314857.db2.gz YOXLZONOYBHEIX-ZJUUUORDSA-N 2 2 241.360 -0.141 10 0 BBAELP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H]1CSC[NH2+]1 ZINC000019488453 182342773 /nfs/dbraw/zinc/34/27/73/182342773.db2.gz YOXLZONOYBHEIX-UWVGGRQHSA-N 2 2 241.360 -0.141 10 0 BBAELP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H]1CSC[NH2+]1 ZINC000019488454 182314607 /nfs/dbraw/zinc/31/46/07/182314607.db2.gz YOXLZONOYBHEIX-NXEZZACHSA-N 2 2 241.360 -0.141 10 0 BBAELP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H]1CSC[NH2+]1 ZINC000019488455 182342359 /nfs/dbraw/zinc/34/23/59/182342359.db2.gz YOXLZONOYBHEIX-VHSXEESVSA-N 2 2 241.360 -0.141 10 0 BBAELP C[C@@H]1C[NH+](CC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000019516034 176283226 /nfs/dbraw/zinc/28/32/26/176283226.db2.gz NUIHAQOBPNDKOV-GHMZBOCLSA-N 2 2 241.335 -0.473 10 0 BBAELP C[C@H]1C[NH+](CC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000019516039 177244295 /nfs/dbraw/zinc/24/42/95/177244295.db2.gz NUIHAQOBPNDKOV-QWRGUYRKSA-N 2 2 241.335 -0.473 10 0 BBAELP C[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000019685433 173079447 /nfs/dbraw/zinc/07/94/47/173079447.db2.gz MLKQVCUEAQBOSH-UHFFFAOYSA-N 2 2 240.351 -0.944 10 0 BBAELP CCCNC(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000019688096 169221945 /nfs/dbraw/zinc/22/19/45/169221945.db2.gz DGGCXOWYXNGBCJ-UHFFFAOYSA-N 2 2 228.340 -0.911 10 0 BBAELP [NH3+]CCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019688100 181392091 /nfs/dbraw/zinc/39/20/91/181392091.db2.gz VOXWMIARACNVPT-UHFFFAOYSA-N 2 2 240.351 -0.815 10 0 BBAELP CCCNC(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000019688203 169223147 /nfs/dbraw/zinc/22/31/47/169223147.db2.gz RNKIVCWUDKLZAX-UHFFFAOYSA-N 2 2 242.367 -0.521 10 0 BBAELP CCC[NH+]1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC000019688560 169202723 /nfs/dbraw/zinc/20/27/23/169202723.db2.gz MWMRJBFUOJGRGT-UHFFFAOYSA-N 2 2 235.353 -0.698 10 0 BBAELP CC(C)[NH+]1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC000019688562 188173411 /nfs/dbraw/zinc/17/34/11/188173411.db2.gz CQJQCZVJBCWAQY-UHFFFAOYSA-N 2 2 235.353 -0.699 10 0 BBAELP C[NH+]1CCN(C(=O)C[NH+]2CCC([NH3+])CC2)CC1 ZINC000019816753 173067042 /nfs/dbraw/zinc/06/70/42/173067042.db2.gz MYOSZMODZKOMEG-UHFFFAOYSA-N 3 2 240.351 -0.817 10 0 BBAELP C[NH+]1CCN(C(=O)CSCC[NH3+])CC1 ZINC000019817666 173067696 /nfs/dbraw/zinc/06/76/96/173067696.db2.gz ILYGNZAUIYYWHO-UHFFFAOYSA-N 2 2 217.338 -0.548 10 0 BBAELP C[N@@H+](CCC[NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000019834790 173066879 /nfs/dbraw/zinc/06/68/79/173066879.db2.gz XHUGUGQLBSKLAB-UHFFFAOYSA-N 3 2 228.340 -0.959 10 0 BBAELP C[N@H+](CCC[NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000019834790 173066876 /nfs/dbraw/zinc/06/68/76/173066876.db2.gz XHUGUGQLBSKLAB-UHFFFAOYSA-N 3 2 228.340 -0.959 10 0 BBAELP [NH3+]C[C@@H]1CCC[N@H+]1CCN1CCOCC1 ZINC000019843311 385332350 /nfs/dbraw/zinc/33/23/50/385332350.db2.gz SLUQFIKEKVQOQX-NSHDSACASA-N 2 2 213.325 -0.258 10 0 BBAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCN1CCOCC1 ZINC000019843311 385332342 /nfs/dbraw/zinc/33/23/42/385332342.db2.gz SLUQFIKEKVQOQX-NSHDSACASA-N 2 2 213.325 -0.258 10 0 BBAELP [NH3+]C[C@@H]1CCCN1CC[NH+]1CCOCC1 ZINC000019843311 385332339 /nfs/dbraw/zinc/33/23/39/385332339.db2.gz SLUQFIKEKVQOQX-NSHDSACASA-N 2 2 213.325 -0.258 10 0 BBAELP C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019863931 173364530 /nfs/dbraw/zinc/36/45/30/173364530.db2.gz HHARCPOALHCCHZ-KXUCPTDWSA-N 2 2 202.298 -0.324 10 0 BBAELP C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019863931 173364528 /nfs/dbraw/zinc/36/45/28/173364528.db2.gz HHARCPOALHCCHZ-KXUCPTDWSA-N 2 2 202.298 -0.324 10 0 BBAELP C[NH2+]C[C@@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000019863939 173364846 /nfs/dbraw/zinc/36/48/46/173364846.db2.gz HHARCPOALHCCHZ-LPEHRKFASA-N 2 2 202.298 -0.324 10 0 BBAELP [NH3+]CCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000020181722 181380831 /nfs/dbraw/zinc/38/08/31/181380831.db2.gz AWJDQWVVCUCWHQ-UHFFFAOYSA-N 2 2 211.309 -0.111 10 0 BBAELP CC(=O)NCC[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000020358416 187316553 /nfs/dbraw/zinc/31/65/53/187316553.db2.gz BNXAVVBKZYETTI-LLVKDONJSA-N 2 2 211.309 -0.194 10 0 BBAELP CC(=O)NCC[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000020358417 187316533 /nfs/dbraw/zinc/31/65/33/187316533.db2.gz BNXAVVBKZYETTI-NSHDSACASA-N 2 2 211.309 -0.194 10 0 BBAELP C[NH+]1CCN([C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC000020442121 173095600 /nfs/dbraw/zinc/09/56/00/173095600.db2.gz FDPYFEVVOFDUQS-ZDUSSCGKSA-N 3 2 238.379 -0.343 10 0 BBAELP C[NH+]1CCN([C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC000020442126 173094003 /nfs/dbraw/zinc/09/40/03/173094003.db2.gz FDPYFEVVOFDUQS-CYBMUJFWSA-N 3 2 238.379 -0.343 10 0 BBAELP [NH3+]CC[NH2+]CCNCC[NH2+]Cc1ccccc1 ZINC000022035153 181398025 /nfs/dbraw/zinc/39/80/25/181398025.db2.gz XXOQMYGARAONKF-UHFFFAOYSA-N 3 2 236.363 -0.086 10 0 BBAELP C[NH+]1CCN(CCCN2CC[NH+](C)CC2)CC1 ZINC000022873457 173080524 /nfs/dbraw/zinc/08/05/24/173080524.db2.gz ACSBRIVFKZTIIB-UHFFFAOYSA-N 2 2 240.395 -0.129 10 0 BBAELP C[C@@H](O)[C@H](C)[NH2+]CC[NH2+][C@@H](C)[C@H](C)O ZINC000022873723 177012095 /nfs/dbraw/zinc/01/20/95/177012095.db2.gz MCERRKGSGYESEK-AATLWQCWSA-N 2 2 204.314 -0.296 10 0 BBAELP COCCNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000026513486 174325988 /nfs/dbraw/zinc/32/59/88/174325988.db2.gz UFFGDEYWTGAPIN-SECBINFHSA-N 2 2 229.324 -0.439 10 0 BBAELP COCCNC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000026513488 174326581 /nfs/dbraw/zinc/32/65/81/174326581.db2.gz UFFGDEYWTGAPIN-VIFPVBQESA-N 2 2 229.324 -0.439 10 0 BBAELP O[C@@H]1C[NH2+][C@@H](C[NH2+]C2CCCC2)[C@@H]1O ZINC000026568458 183249442 /nfs/dbraw/zinc/24/94/42/183249442.db2.gz CAYLVMUUXWDLQS-AEJSXWLSSA-N 2 2 200.282 -0.788 10 0 in-vivo BBAELP O[C@@H]1C[NH2+][C@H](C[NH2+]C2CCCC2)[C@@H]1O ZINC000026568463 183213507 /nfs/dbraw/zinc/21/35/07/183213507.db2.gz CAYLVMUUXWDLQS-BBBLOLIVSA-N 2 2 200.282 -0.788 10 0 in-vivo BBAELP CCn1c[nH+]c(C[C@H]([NH2+]CC[NH3+])C(=O)[O-])c1 ZINC000028864786 187320691 /nfs/dbraw/zinc/32/06/91/187320691.db2.gz RVUXHJZTETWWDB-VIFPVBQESA-N 2 2 226.280 -0.553 10 0 BBAELP C[NH+]1CCN(c2nncc3c[nH+]cn32)CC1 ZINC000029415008 132334430 /nfs/dbraw/zinc/33/44/30/132334430.db2.gz WNUDTUMAHVBRQR-UHFFFAOYSA-N 2 2 218.264 -0.124 10 0 BBAELP COC(=O)[C@H]([NH3+])CCC[C@H]([NH3+])C(=O)OC ZINC000032297377 345760208 /nfs/dbraw/zinc/76/02/08/345760208.db2.gz UJSUWCBMTJCQAX-KNVOCYPGSA-N 2 2 218.253 -0.843 10 0 BBAELP [NH3+]CC[NH2+]CCNC(=O)c1ccccc1O ZINC000033606621 181397055 /nfs/dbraw/zinc/39/70/55/181397055.db2.gz NPBHHEOEOZUVDI-UHFFFAOYSA-N 2 2 223.276 -0.330 10 0 BBAELP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCC([NH3+])CC1 ZINC000034939789 351355527 /nfs/dbraw/zinc/35/55/27/351355527.db2.gz ZUDKOYXZSVDGMY-JTQLQIEISA-N 2 2 241.335 -0.343 10 0 BBAELP C[C@H](C(=O)N1CCOCC1)[NH+]1CCC([NH3+])CC1 ZINC000034939790 351355610 /nfs/dbraw/zinc/35/56/10/351355610.db2.gz ZUDKOYXZSVDGMY-SNVBAGLBSA-N 2 2 241.335 -0.343 10 0 BBAELP COc1cc(N2CC[NH2+]CC2)nc(N)[nH+]1 ZINC000035067447 132337573 /nfs/dbraw/zinc/33/75/73/132337573.db2.gz PCXJKACFESRZKE-UHFFFAOYSA-N 2 2 209.253 -0.523 10 0 BBAELP CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035081403 132337505 /nfs/dbraw/zinc/33/75/05/132337505.db2.gz JAAHHZQREBLWES-UHFFFAOYSA-N 2 2 249.318 -0.468 10 0 BBAELP C[C@@H](C(N)=O)[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035081413 132337482 /nfs/dbraw/zinc/33/74/82/132337482.db2.gz OYCWQIXDSAUUAI-VIFPVBQESA-N 2 2 249.318 -0.340 10 0 BBAELP C[C@H](C(N)=O)[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035081414 132337623 /nfs/dbraw/zinc/33/76/23/132337623.db2.gz OYCWQIXDSAUUAI-SECBINFHSA-N 2 2 249.318 -0.340 10 0 BBAELP C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000035240304 173365035 /nfs/dbraw/zinc/36/50/35/173365035.db2.gz HHARCPOALHCCHZ-OPRDCNLKSA-N 2 2 202.298 -0.324 10 0 BBAELP NC(=O)C[NH+]1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035367738 132338191 /nfs/dbraw/zinc/33/81/91/132338191.db2.gz ICXAUNQHRHFZKN-UHFFFAOYSA-N 2 2 235.291 -0.729 10 0 BBAELP Nc1ccc(N2CC[NH+](CCO)CC2)c[nH+]1 ZINC000035367749 132338296 /nfs/dbraw/zinc/33/82/96/132338296.db2.gz GMIRDNVYYLFXHK-UHFFFAOYSA-N 2 2 222.292 -0.222 10 0 BBAELP NC(=O)C[NH+]1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368360 132338278 /nfs/dbraw/zinc/33/82/78/132338278.db2.gz HSMAMVDDZTVLRJ-UHFFFAOYSA-N 2 2 235.291 -0.729 10 0 BBAELP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CO)CC1 ZINC000035603974 173066823 /nfs/dbraw/zinc/06/68/23/173066823.db2.gz ANKZCUADTANLTE-UHFFFAOYSA-N 2 2 229.324 -0.879 10 0 BBAELP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCOC[C@@H]1C ZINC000035776174 177293446 /nfs/dbraw/zinc/29/34/46/177293446.db2.gz XJHWVGOMCYSIGU-QWRGUYRKSA-N 2 2 241.335 -0.473 10 0 BBAELP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCOC[C@@H]1C ZINC000035776174 177293445 /nfs/dbraw/zinc/29/34/45/177293445.db2.gz XJHWVGOMCYSIGU-QWRGUYRKSA-N 2 2 241.335 -0.473 10 0 BBAELP C[C@@H]1COCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000035776177 176336389 /nfs/dbraw/zinc/33/63/89/176336389.db2.gz WTOJDJFNFGURKL-SNVBAGLBSA-N 2 2 227.308 -0.861 10 0 BBAELP C[C@@H]1COCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000035776177 176336386 /nfs/dbraw/zinc/33/63/86/176336386.db2.gz WTOJDJFNFGURKL-SNVBAGLBSA-N 2 2 227.308 -0.861 10 0 BBAELP C[C@H]1COCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000035776180 177291383 /nfs/dbraw/zinc/29/13/83/177291383.db2.gz WTOJDJFNFGURKL-JTQLQIEISA-N 2 2 227.308 -0.861 10 0 BBAELP C[C@H]1COCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000035776180 177291381 /nfs/dbraw/zinc/29/13/81/177291381.db2.gz WTOJDJFNFGURKL-JTQLQIEISA-N 2 2 227.308 -0.861 10 0 BBAELP C[C@@H]1C[N@@H+](CC(=O)N(C)CCC[NH3+])[C@H](C)CO1 ZINC000035782948 176283378 /nfs/dbraw/zinc/28/33/78/176283378.db2.gz SDMBRRRCKZQTHG-GHMZBOCLSA-N 2 2 243.351 -0.097 10 0 BBAELP C[C@@H]1C[N@H+](CC(=O)N(C)CCC[NH3+])[C@H](C)CO1 ZINC000035782948 176283376 /nfs/dbraw/zinc/28/33/76/176283376.db2.gz SDMBRRRCKZQTHG-GHMZBOCLSA-N 2 2 243.351 -0.097 10 0 BBAELP C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N(C)CCC[NH3+] ZINC000035782950 177243898 /nfs/dbraw/zinc/24/38/98/177243898.db2.gz SDMBRRRCKZQTHG-MNOVXSKESA-N 2 2 243.351 -0.097 10 0 BBAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N(C)CCC[NH3+] ZINC000035782950 177243897 /nfs/dbraw/zinc/24/38/97/177243897.db2.gz SDMBRRRCKZQTHG-MNOVXSKESA-N 2 2 243.351 -0.097 10 0 BBAELP C[NH2+]C[C@@H](O)C[N@H+]1CCOC(C)(C)C1 ZINC000036232312 173364520 /nfs/dbraw/zinc/36/45/20/173364520.db2.gz AFHDSKZKHPUVKX-SECBINFHSA-N 2 2 202.298 -0.323 10 0 BBAELP C[NH2+]C[C@@H](O)C[N@@H+]1CCOC(C)(C)C1 ZINC000036232312 173364518 /nfs/dbraw/zinc/36/45/18/173364518.db2.gz AFHDSKZKHPUVKX-SECBINFHSA-N 2 2 202.298 -0.323 10 0 BBAELP C[NH2+]C[C@H](O)C[N@H+]1CCOC(C)(C)C1 ZINC000036232313 173376654 /nfs/dbraw/zinc/37/66/54/173376654.db2.gz AFHDSKZKHPUVKX-VIFPVBQESA-N 2 2 202.298 -0.323 10 0 BBAELP C[NH2+]C[C@H](O)C[N@@H+]1CCOC(C)(C)C1 ZINC000036232313 173376652 /nfs/dbraw/zinc/37/66/52/173376652.db2.gz AFHDSKZKHPUVKX-VIFPVBQESA-N 2 2 202.298 -0.323 10 0 BBAELP [NH3+]C1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC000036237222 181340165 /nfs/dbraw/zinc/34/01/65/181340165.db2.gz YEDQHBOQXCEVSB-UHFFFAOYSA-N 2 2 208.265 -0.121 10 0 BBAELP [NH3+]C1CC[NH+](CC(=O)N2CCOC2=O)CC1 ZINC000036754498 181344053 /nfs/dbraw/zinc/34/40/53/181344053.db2.gz RQOZBBDWRUOTPG-UHFFFAOYSA-N 2 2 227.264 -0.612 10 0 BBAELP CCOC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754625 170240905 /nfs/dbraw/zinc/24/09/05/170240905.db2.gz QMIHTFRWZHFRLO-UHFFFAOYSA-N 2 2 229.280 -0.318 10 0 BBAELP CC(C)NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754783 167071307 /nfs/dbraw/zinc/07/13/07/167071307.db2.gz ZBRLMLMMUISEED-UHFFFAOYSA-N 2 2 242.323 -0.356 10 0 BBAELP CC[C@@H]1C[N@@H+](CC(=O)N(C)CCC[NH3+])CCO1 ZINC000036769192 171076752 /nfs/dbraw/zinc/07/67/52/171076752.db2.gz VGIJWYGISNGSRG-LLVKDONJSA-N 2 2 243.351 -0.096 10 0 BBAELP CC[C@@H]1C[N@H+](CC(=O)N(C)CCC[NH3+])CCO1 ZINC000036769192 171076750 /nfs/dbraw/zinc/07/67/50/171076750.db2.gz VGIJWYGISNGSRG-LLVKDONJSA-N 2 2 243.351 -0.096 10 0 BBAELP [NH3+]CC[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000036853279 181398060 /nfs/dbraw/zinc/39/80/60/181398060.db2.gz FELNBDMOTGPYKR-SECBINFHSA-N 2 2 225.292 -0.395 10 0 BBAELP C[NH+]1CCC([NH2+][C@@H]2CC(=O)NC2=O)CC1 ZINC000036853646 187249749 /nfs/dbraw/zinc/24/97/49/187249749.db2.gz BEPBXOZQNYDZRB-MRVPVSSYSA-N 2 2 211.265 -0.915 10 0 BBAELP CCC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000036872912 342992565 /nfs/dbraw/zinc/99/25/65/342992565.db2.gz MFEHHQTWTYCCLE-JTQLQIEISA-N 2 2 229.324 -0.438 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000036872913 169388885 /nfs/dbraw/zinc/38/88/85/169388885.db2.gz MFEHHQTWTYCCLE-SNVBAGLBSA-N 2 2 229.324 -0.438 10 0 BBAELP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000036873236 342992871 /nfs/dbraw/zinc/99/28/71/342992871.db2.gz KMINYBDQRBYWFP-JTQLQIEISA-N 2 2 229.324 -0.750 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000036873237 169387713 /nfs/dbraw/zinc/38/77/13/169387713.db2.gz KMINYBDQRBYWFP-SNVBAGLBSA-N 2 2 229.324 -0.750 10 0 BBAELP CCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008748 344485780 /nfs/dbraw/zinc/48/57/80/344485780.db2.gz KTDSPMBRXUAYME-QWRGUYRKSA-N 2 2 243.351 -0.049 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008749 169390300 /nfs/dbraw/zinc/39/03/00/169390300.db2.gz KTDSPMBRXUAYME-WDEREUQCSA-N 2 2 243.351 -0.049 10 0 BBAELP CCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008750 344485833 /nfs/dbraw/zinc/48/58/33/344485833.db2.gz KTDSPMBRXUAYME-MNOVXSKESA-N 2 2 243.351 -0.049 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008751 169391229 /nfs/dbraw/zinc/39/12/29/169391229.db2.gz KTDSPMBRXUAYME-GHMZBOCLSA-N 2 2 243.351 -0.049 10 0 BBAELP CCNC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037806 170074336 /nfs/dbraw/zinc/07/43/36/170074336.db2.gz WGLAXCSNXAQDAP-UHFFFAOYSA-N 2 2 214.313 -0.318 10 0 BBAELP [NH3+]CCCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000037037849 181381385 /nfs/dbraw/zinc/38/13/85/181381385.db2.gz BQYJQTIIWONCIM-UHFFFAOYSA-N 2 2 240.351 -0.769 10 0 BBAELP [NH3+]CCC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000037037849 181381383 /nfs/dbraw/zinc/38/13/83/181381383.db2.gz BQYJQTIIWONCIM-UHFFFAOYSA-N 2 2 240.351 -0.769 10 0 BBAELP CCNC(=O)N1CC[NH+](C[C@@H](C)C[NH3+])CC1 ZINC000037039355 170074117 /nfs/dbraw/zinc/07/41/17/170074117.db2.gz IASOAXIAFMRNAS-JTQLQIEISA-N 2 2 228.340 -0.072 10 0 BBAELP CCNC(=O)N1CC[NH+](C[C@H](C)C[NH3+])CC1 ZINC000037039356 170073934 /nfs/dbraw/zinc/07/39/34/170073934.db2.gz IASOAXIAFMRNAS-SNVBAGLBSA-N 2 2 228.340 -0.072 10 0 BBAELP COC(=O)N1CC[NH+](C[C@H](C)C[NH3+])CC1 ZINC000037039368 173652955 /nfs/dbraw/zinc/65/29/55/173652955.db2.gz QUHIDKDEQLXRPC-SECBINFHSA-N 2 2 215.297 -0.035 10 0 BBAELP CC(C)NC(=O)[C@@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039625 167078983 /nfs/dbraw/zinc/07/89/83/167078983.db2.gz XLUQWDCCNKOIGE-LLVKDONJSA-N 2 2 242.367 -0.524 10 0 BBAELP [NH3+]CCCCCN1CC[NH+](CCO)CC1 ZINC000037049362 181375227 /nfs/dbraw/zinc/37/52/27/181375227.db2.gz JYXMOMSCGPDKFN-UHFFFAOYSA-N 2 2 215.341 -0.275 10 0 BBAELP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037249497 173288600 /nfs/dbraw/zinc/28/86/00/173288600.db2.gz LGHVBWRUONFCTC-QMMMGPOBSA-N 2 2 242.323 -0.486 10 0 BBAELP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037249499 173288291 /nfs/dbraw/zinc/28/82/91/173288291.db2.gz LGHVBWRUONFCTC-MRVPVSSYSA-N 2 2 242.323 -0.486 10 0 BBAELP COCCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037249549 174326745 /nfs/dbraw/zinc/32/67/45/174326745.db2.gz BVGOUSKKKIQYRY-JTQLQIEISA-N 2 2 243.351 -0.179 10 0 BBAELP COCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037249552 174325934 /nfs/dbraw/zinc/32/59/34/174325934.db2.gz BVGOUSKKKIQYRY-SNVBAGLBSA-N 2 2 243.351 -0.179 10 0 BBAELP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000037469311 173323743 /nfs/dbraw/zinc/32/37/43/173323743.db2.gz MHODBKFMSHCWSH-ZETCQYMHSA-N 2 2 228.296 -0.746 10 0 BBAELP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000037469312 173324025 /nfs/dbraw/zinc/32/40/25/173324025.db2.gz MHODBKFMSHCWSH-SSDOTTSWSA-N 2 2 228.296 -0.746 10 0 BBAELP C[NH2+]C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000037469335 173323496 /nfs/dbraw/zinc/32/34/96/173323496.db2.gz AZOFYMGIPUXHLX-UHFFFAOYSA-N 2 2 226.324 -0.305 10 0 BBAELP C[NH+]1CCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000037478704 173071195 /nfs/dbraw/zinc/07/11/95/173071195.db2.gz OHUGHNJMQMOGSL-LLVKDONJSA-N 2 2 211.309 -0.112 10 0 BBAELP C[NH+]1CCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000037478705 173071584 /nfs/dbraw/zinc/07/15/84/173071584.db2.gz OHUGHNJMQMOGSL-NSHDSACASA-N 2 2 211.309 -0.112 10 0 BBAELP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000037484956 173147290 /nfs/dbraw/zinc/14/72/90/173147290.db2.gz HTPZIQRFAKVPRY-NXEZZACHSA-N 2 2 232.349 -0.285 10 0 BBAELP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000037484956 173147289 /nfs/dbraw/zinc/14/72/89/173147289.db2.gz HTPZIQRFAKVPRY-NXEZZACHSA-N 2 2 232.349 -0.285 10 0 BBAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000037484957 173118102 /nfs/dbraw/zinc/11/81/02/173118102.db2.gz HTPZIQRFAKVPRY-VHSXEESVSA-N 2 2 232.349 -0.285 10 0 BBAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000037484957 173118101 /nfs/dbraw/zinc/11/81/01/173118101.db2.gz HTPZIQRFAKVPRY-VHSXEESVSA-N 2 2 232.349 -0.285 10 0 BBAELP CN1C(=O)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)C1=O ZINC000037484960 173147411 /nfs/dbraw/zinc/14/74/11/173147411.db2.gz HFFSOJXUZRNDNI-RKDXNWHRSA-N 2 2 225.292 -0.715 10 0 BBAELP CN1C(=O)C[C@@H]([NH2+]C[C@H]2CC[N@H+](C)C2)C1=O ZINC000037484960 173147410 /nfs/dbraw/zinc/14/74/10/173147410.db2.gz HFFSOJXUZRNDNI-RKDXNWHRSA-N 2 2 225.292 -0.715 10 0 BBAELP CN1C(=O)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC000037484961 173117637 /nfs/dbraw/zinc/11/76/37/173117637.db2.gz HFFSOJXUZRNDNI-DTWKUNHWSA-N 2 2 225.292 -0.715 10 0 BBAELP CN1C(=O)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C1=O ZINC000037484961 173117634 /nfs/dbraw/zinc/11/76/34/173117634.db2.gz HFFSOJXUZRNDNI-DTWKUNHWSA-N 2 2 225.292 -0.715 10 0 BBAELP NC(=O)C[N@@H+](C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037543211 181229879 /nfs/dbraw/zinc/22/98/79/181229879.db2.gz PIUBPLVDXVBFQI-LLVKDONJSA-N 2 2 241.335 -0.295 10 0 BBAELP NC(=O)C[N@H+](C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037543211 181229877 /nfs/dbraw/zinc/22/98/77/181229877.db2.gz PIUBPLVDXVBFQI-LLVKDONJSA-N 2 2 241.335 -0.295 10 0 BBAELP NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037543213 181229395 /nfs/dbraw/zinc/22/93/95/181229395.db2.gz PIUBPLVDXVBFQI-NSHDSACASA-N 2 2 241.335 -0.295 10 0 BBAELP NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000037543213 181229392 /nfs/dbraw/zinc/22/93/92/181229392.db2.gz PIUBPLVDXVBFQI-NSHDSACASA-N 2 2 241.335 -0.295 10 0 BBAELP C[C@@H]([NH2+]CC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000037712853 488038859 /nfs/dbraw/zinc/03/88/59/488038859.db2.gz VZCRHWZRHLVPRN-MRVPVSSYSA-N 2 2 243.332 -0.057 10 0 BBAELP [NH3+]CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800350 181349854 /nfs/dbraw/zinc/34/98/54/181349854.db2.gz JFNPRNUYRIZCCU-UHFFFAOYSA-N 2 2 234.303 -0.316 10 0 BBAELP [NH3+]CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802769 181350990 /nfs/dbraw/zinc/35/09/90/181350990.db2.gz SILSGRCBUMSDEV-UHFFFAOYSA-N 2 2 234.303 -0.316 10 0 BBAELP [NH3+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000037802819 181351103 /nfs/dbraw/zinc/35/11/03/181351103.db2.gz MGVAJTLELGUGHU-UHFFFAOYSA-N 2 2 223.276 -0.118 10 0 BBAELP [NH3+]CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818441 181349939 /nfs/dbraw/zinc/34/99/39/181349939.db2.gz QNMGAXXUTWLGOG-UHFFFAOYSA-N 2 2 234.303 -0.316 10 0 BBAELP CCCNC(=O)C[NH2+]C[C@H](O)C[NH+](CC)CC ZINC000037892212 169226057 /nfs/dbraw/zinc/22/60/57/169226057.db2.gz RDWBUJWTGUWYPG-NSHDSACASA-N 2 2 245.367 -0.195 10 0 BBAELP CCCNC(=O)C[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000037892213 169226041 /nfs/dbraw/zinc/22/60/41/169226041.db2.gz RDWBUJWTGUWYPG-LLVKDONJSA-N 2 2 245.367 -0.195 10 0 BBAELP CCCNC(=O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037892223 169225992 /nfs/dbraw/zinc/22/59/92/169225992.db2.gz UXMVMXVXUSZXIV-NSHDSACASA-N 2 2 243.351 -0.441 10 0 BBAELP CCCNC(=O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037892224 169226533 /nfs/dbraw/zinc/22/65/33/169226533.db2.gz UXMVMXVXUSZXIV-LLVKDONJSA-N 2 2 243.351 -0.441 10 0 BBAELP CC(C)NC(=O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037892424 167057554 /nfs/dbraw/zinc/05/75/54/167057554.db2.gz ALTHUJNUGFHKEP-NSHDSACASA-N 2 2 243.351 -0.443 10 0 BBAELP CC(C)NC(=O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037892425 167059004 /nfs/dbraw/zinc/05/90/04/167059004.db2.gz ALTHUJNUGFHKEP-LLVKDONJSA-N 2 2 243.351 -0.443 10 0 BBAELP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037894284 173147783 /nfs/dbraw/zinc/14/77/83/173147783.db2.gz OKMXLHDAUWQZIJ-OLZOCXBDSA-N 3 2 241.379 -0.016 10 0 BBAELP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037894284 173147781 /nfs/dbraw/zinc/14/77/81/173147781.db2.gz OKMXLHDAUWQZIJ-OLZOCXBDSA-N 3 2 241.379 -0.016 10 0 BBAELP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037894285 173115694 /nfs/dbraw/zinc/11/56/94/173115694.db2.gz OKMXLHDAUWQZIJ-STQMWFEESA-N 3 2 241.379 -0.016 10 0 BBAELP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037894285 173115692 /nfs/dbraw/zinc/11/56/92/173115692.db2.gz OKMXLHDAUWQZIJ-STQMWFEESA-N 3 2 241.379 -0.016 10 0 BBAELP NC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCSC1 ZINC000037943771 181275618 /nfs/dbraw/zinc/27/56/18/181275618.db2.gz IPZAYACRYPTULU-SNVBAGLBSA-N 2 2 229.349 -0.357 10 0 BBAELP NC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCSC1 ZINC000037943771 181275615 /nfs/dbraw/zinc/27/56/15/181275615.db2.gz IPZAYACRYPTULU-SNVBAGLBSA-N 2 2 229.349 -0.357 10 0 BBAELP NC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCSC1 ZINC000037943772 181284882 /nfs/dbraw/zinc/28/48/82/181284882.db2.gz IPZAYACRYPTULU-JTQLQIEISA-N 2 2 229.349 -0.357 10 0 BBAELP NC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCSC1 ZINC000037943772 181284880 /nfs/dbraw/zinc/28/48/80/181284880.db2.gz IPZAYACRYPTULU-JTQLQIEISA-N 2 2 229.349 -0.357 10 0 BBAELP NC(=O)C1([N@H+]2CCC[NH2+]CC2)CCOCC1 ZINC000037943946 181213589 /nfs/dbraw/zinc/21/35/89/181213589.db2.gz YJFKEKIHOHFTNG-UHFFFAOYSA-N 2 2 227.308 -0.684 10 0 BBAELP NC(=O)C1([N@@H+]2CCC[NH2+]CC2)CCOCC1 ZINC000037943946 181213587 /nfs/dbraw/zinc/21/35/87/181213587.db2.gz YJFKEKIHOHFTNG-UHFFFAOYSA-N 2 2 227.308 -0.684 10 0 BBAELP NC(=O)[C@H]([C@@H]1CCOC1)[N@H+]1CCC[NH2+]CC1 ZINC000038000709 181277774 /nfs/dbraw/zinc/27/77/74/181277774.db2.gz LSVSNZKKISDXIS-ZJUUUORDSA-N 2 2 227.308 -0.828 10 0 BBAELP NC(=O)[C@H]([C@@H]1CCOC1)[N@@H+]1CCC[NH2+]CC1 ZINC000038000709 181277772 /nfs/dbraw/zinc/27/77/72/181277772.db2.gz LSVSNZKKISDXIS-ZJUUUORDSA-N 2 2 227.308 -0.828 10 0 BBAELP NC(=O)[C@@H]([C@@H]1CCOC1)[N@H+]1CCC[NH2+]CC1 ZINC000038000710 181265887 /nfs/dbraw/zinc/26/58/87/181265887.db2.gz LSVSNZKKISDXIS-NXEZZACHSA-N 2 2 227.308 -0.828 10 0 BBAELP NC(=O)[C@@H]([C@@H]1CCOC1)[N@@H+]1CCC[NH2+]CC1 ZINC000038000710 181265886 /nfs/dbraw/zinc/26/58/86/181265886.db2.gz LSVSNZKKISDXIS-NXEZZACHSA-N 2 2 227.308 -0.828 10 0 BBAELP Cc1nccc(C[NH2+]C[C@H](O)C[NH+](C)C)n1 ZINC000038037879 180190368 /nfs/dbraw/zinc/19/03/68/180190368.db2.gz TUKBFNLCKXKMOQ-NSHDSACASA-N 2 2 224.308 -0.203 10 0 BBAELP Cc1nccc(C[NH2+]C[C@@H](O)C[NH+](C)C)n1 ZINC000038037880 180190191 /nfs/dbraw/zinc/19/01/91/180190191.db2.gz TUKBFNLCKXKMOQ-LLVKDONJSA-N 2 2 224.308 -0.203 10 0 BBAELP O=C(NCCO)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043023 182191916 /nfs/dbraw/zinc/19/19/16/182191916.db2.gz CJKRGGKMMFCTOG-LLVKDONJSA-N 2 2 241.335 -0.689 10 0 BBAELP O=C(NCCO)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043023 182191914 /nfs/dbraw/zinc/19/19/14/182191914.db2.gz CJKRGGKMMFCTOG-LLVKDONJSA-N 2 2 241.335 -0.689 10 0 BBAELP O=C(NCCO)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043024 182191985 /nfs/dbraw/zinc/19/19/85/182191985.db2.gz CJKRGGKMMFCTOG-NSHDSACASA-N 2 2 241.335 -0.689 10 0 BBAELP O=C(NCCO)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043024 182191984 /nfs/dbraw/zinc/19/19/84/182191984.db2.gz CJKRGGKMMFCTOG-NSHDSACASA-N 2 2 241.335 -0.689 10 0 BBAELP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000038094161 173067324 /nfs/dbraw/zinc/06/73/24/173067324.db2.gz ZNOPPJQUTDNWHJ-NSHDSACASA-N 2 2 241.335 -0.614 10 0 BBAELP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC000038094162 173067264 /nfs/dbraw/zinc/06/72/64/173067264.db2.gz ZNOPPJQUTDNWHJ-LLVKDONJSA-N 2 2 241.335 -0.614 10 0 BBAELP O[C@@H]1[C@@H](C[NH2+]C2CCCC2)[NH2+]C[C@@H]1O ZINC000039112775 183245660 /nfs/dbraw/zinc/24/56/60/183245660.db2.gz CAYLVMUUXWDLQS-KXUCPTDWSA-N 2 2 200.282 -0.788 10 0 BBAELP O[C@@H]1C[NH2+][C@H](C[NH2+]C2CCCC2)[C@H]1O ZINC000040455070 183208179 /nfs/dbraw/zinc/20/81/79/183208179.db2.gz CAYLVMUUXWDLQS-OPRDCNLKSA-N 2 2 200.282 -0.788 10 0 in-vivo BBAELP O[C@@H]1C[NH2+][C@@H](C[NH2+]C2CCCC2)[C@H]1O ZINC000040455073 183208047 /nfs/dbraw/zinc/20/80/47/183208047.db2.gz CAYLVMUUXWDLQS-IVZWLZJFSA-N 2 2 200.282 -0.788 10 0 in-vivo BBAELP C[C@@H]1C[N@H+](CC(=O)NCC[NH3+])C[C@H](C)O1 ZINC000040605509 177243568 /nfs/dbraw/zinc/24/35/68/177243568.db2.gz VOCBRZHLBYLUBW-DTORHVGOSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@@H]1C[N@@H+](CC(=O)NCC[NH3+])C[C@H](C)O1 ZINC000040605509 177243567 /nfs/dbraw/zinc/24/35/67/177243567.db2.gz VOCBRZHLBYLUBW-DTORHVGOSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@H]1C[NH+](CC(=O)NCC[NH3+])C[C@H](C)O1 ZINC000040605510 177243222 /nfs/dbraw/zinc/24/32/22/177243222.db2.gz VOCBRZHLBYLUBW-IUCAKERBSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@@H]1C[NH+](CC(=O)NCC[NH3+])C[C@@H](C)O1 ZINC000040605511 176282703 /nfs/dbraw/zinc/28/27/03/176282703.db2.gz VOCBRZHLBYLUBW-RKDXNWHRSA-N 2 2 215.297 -0.830 10 0 BBAELP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000040629428 174899619 /nfs/dbraw/zinc/89/96/19/174899619.db2.gz VZZMFQPJSZSMNQ-NXEZZACHSA-N 2 2 227.308 -0.863 10 0 BBAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000040639483 187264600 /nfs/dbraw/zinc/26/46/00/187264600.db2.gz XNEDBLDJEZLMDI-VIFPVBQESA-N 2 2 243.332 -0.261 10 0 BBAELP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000040639727 187263926 /nfs/dbraw/zinc/26/39/26/187263926.db2.gz PMIGSJMPNSYTIK-VIFPVBQESA-N 2 2 222.292 -0.169 10 0 BBAELP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000040639756 187264666 /nfs/dbraw/zinc/26/46/66/187264666.db2.gz PMIGSJMPNSYTIK-SECBINFHSA-N 2 2 222.292 -0.169 10 0 BBAELP Cn1cc[nH+]c1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000040639768 188118599 /nfs/dbraw/zinc/11/85/99/188118599.db2.gz GXHASLBGSDDBSA-MRVPVSSYSA-N 2 2 240.332 -0.259 10 0 BBAELP NC(=O)C1([NH2+]C[C@H]2CCCO2)CC[NH2+]CC1 ZINC000040695193 181215513 /nfs/dbraw/zinc/21/55/13/181215513.db2.gz MBQLHRVTDCMXDG-SECBINFHSA-N 2 2 227.308 -0.638 10 0 BBAELP NC(=O)C1([NH2+]C[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000040695195 181214137 /nfs/dbraw/zinc/21/41/37/181214137.db2.gz MBQLHRVTDCMXDG-VIFPVBQESA-N 2 2 227.308 -0.638 10 0 BBAELP CNc1[nH+]cnc(N2CC[NH+](C)CC2)c1N ZINC000040706823 132296560 /nfs/dbraw/zinc/29/65/60/132296560.db2.gz NXOKJWKIGZOQJX-UHFFFAOYSA-N 2 2 222.296 -0.148 10 0 BBAELP CN(C)c1[nH+]cnc(N2CC[NH+](C)CC2)c1N ZINC000040723396 132348495 /nfs/dbraw/zinc/34/84/95/132348495.db2.gz ASYMXOCZMXFFIO-UHFFFAOYSA-N 2 2 236.323 -0.123 10 0 BBAELP C[NH+]1CCN(c2nc[nH+]c(N)c2N)CC1 ZINC000040723717 132348684 /nfs/dbraw/zinc/34/86/84/132348684.db2.gz INSCOECCGXYLOS-UHFFFAOYSA-N 2 2 208.269 -0.607 10 0 BBAELP CC[NH+]1CCN(c2nc[nH+]c(N)c2N)CC1 ZINC000040723720 132348559 /nfs/dbraw/zinc/34/85/59/132348559.db2.gz ABMJCLLSTIWNFW-UHFFFAOYSA-N 2 2 222.296 -0.217 10 0 BBAELP C[NH+]1CCN(Nc2[nH+]cnc(N)c2N)CC1 ZINC000040723823 173092961 /nfs/dbraw/zinc/09/29/61/173092961.db2.gz AAIWKUXCRZDPQT-UHFFFAOYSA-N 2 2 223.284 -0.785 10 0 BBAELP Cc1cc(N2CCN(CC[NH3+])CC2)nc[nH+]1 ZINC000040726872 132348574 /nfs/dbraw/zinc/34/85/74/132348574.db2.gz SLPXCQZQBMADCK-UHFFFAOYSA-N 2 2 221.308 -0.134 10 0 BBAELP Cc1cc(N(C)CC(=O)N2CC[NH2+]CC2)nc[nH+]1 ZINC000040727542 178096587 /nfs/dbraw/zinc/09/65/87/178096587.db2.gz QXVXEVFWLVXQRN-UHFFFAOYSA-N 2 2 249.318 -0.347 10 0 BBAELP COCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750076 174320670 /nfs/dbraw/zinc/32/06/70/174320670.db2.gz BPHIGQQAJMDJOM-FGWVZKOKSA-N 2 2 241.335 -0.297 10 0 BBAELP COCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750076 174320668 /nfs/dbraw/zinc/32/06/68/174320668.db2.gz BPHIGQQAJMDJOM-FGWVZKOKSA-N 2 2 241.335 -0.297 10 0 BBAELP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750349 181253831 /nfs/dbraw/zinc/25/38/31/181253831.db2.gz NJVVUMHMFVMRRQ-IEESLHIDSA-N 2 2 226.280 -0.865 10 0 BBAELP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750349 181253829 /nfs/dbraw/zinc/25/38/29/181253829.db2.gz NJVVUMHMFVMRRQ-IEESLHIDSA-N 2 2 226.280 -0.865 10 0 BBAELP C[NH+]1CCN(Nc2[nH+]cnc3[nH]cnc32)CC1 ZINC000040828013 173092159 /nfs/dbraw/zinc/09/21/59/173092159.db2.gz LNERFINZCCFYAO-UHFFFAOYSA-N 2 2 233.279 -0.073 10 0 BBAELP C[NH+]1CCN(Nc2[nH+]cnc3nc[nH]c32)CC1 ZINC000040828013 173092157 /nfs/dbraw/zinc/09/21/57/173092157.db2.gz LNERFINZCCFYAO-UHFFFAOYSA-N 2 2 233.279 -0.073 10 0 BBAELP CN1CC[NH+](C(C)(C)CNC(=O)C[NH3+])CC1 ZINC000040830970 173073228 /nfs/dbraw/zinc/07/32/28/173073228.db2.gz LHDJVAXDBTVBHI-UHFFFAOYSA-N 2 2 228.340 -0.913 10 0 BBAELP [NH3+]CCC[NH+]1CCN(c2ccncn2)CC1 ZINC000040862761 132348852 /nfs/dbraw/zinc/34/88/52/132348852.db2.gz UTCYIHGHJJXTLC-UHFFFAOYSA-N 2 2 221.308 -0.053 10 0 BBAELP Cn1cc[nH+]c1CCNC(=O)C(C)(C)[NH3+] ZINC000040924913 187290703 /nfs/dbraw/zinc/29/07/03/187290703.db2.gz HHVRQMVRAZSZBW-UHFFFAOYSA-N 2 2 210.281 -0.184 10 0 BBAELP CNc1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000040953024 132348877 /nfs/dbraw/zinc/34/88/77/132348877.db2.gz ZZGIYIUKTWQYCW-UHFFFAOYSA-N 2 2 222.296 -0.148 10 0 BBAELP COc1c[nH+]c(N)nc1N1CC[NH+](C)CC1 ZINC000040953793 537122978 /nfs/dbraw/zinc/12/29/78/537122978.db2.gz OREAPUYRKBJJQP-UHFFFAOYSA-N 2 2 223.280 -0.181 10 0 BBAELP C[NH+]1CCN(c2nc(N)[nH+]cc2N)CC1 ZINC000040954108 132348994 /nfs/dbraw/zinc/34/89/94/132348994.db2.gz KFRYEDDESLZUQI-UHFFFAOYSA-N 2 2 208.269 -0.607 10 0 BBAELP COc1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000040954240 132348910 /nfs/dbraw/zinc/34/89/10/132348910.db2.gz VDDOXGRJCNNUMV-UHFFFAOYSA-N 2 2 223.280 -0.181 10 0 BBAELP C[NH+]1CCC(OC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000041018774 188117760 /nfs/dbraw/zinc/11/77/60/188117760.db2.gz RHGDMBKTPLCGLA-WPRPVWTQSA-N 2 2 228.292 -0.653 10 0 BBAELP C[NH+]1CCC(OC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000041018780 188292779 /nfs/dbraw/zinc/29/27/79/188292779.db2.gz RHGDMBKTPLCGLA-SCZZXKLOSA-N 2 2 228.292 -0.653 10 0 BBAELP C[NH+]1CCC(OC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000041018783 188118374 /nfs/dbraw/zinc/11/83/74/188118374.db2.gz RHGDMBKTPLCGLA-PSASIEDQSA-N 2 2 228.292 -0.653 10 0 BBAELP O=C(NCCn1cc[nH+]c1)C1CC[NH2+]CC1 ZINC000041051017 182215286 /nfs/dbraw/zinc/21/52/86/182215286.db2.gz YCUQQLHMHPJRTR-UHFFFAOYSA-N 2 2 222.292 -0.001 10 0 BBAELP Cc1cc(N2CCO[C@H](C[NH3+])C2)nc[nH+]1 ZINC000041059048 132349420 /nfs/dbraw/zinc/34/94/20/132349420.db2.gz VAZCRUFLNUCWBS-SECBINFHSA-N 2 2 208.265 -0.051 10 0 BBAELP Cc1cc(N2CCO[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000041059049 132349590 /nfs/dbraw/zinc/34/95/90/132349590.db2.gz VAZCRUFLNUCWBS-VIFPVBQESA-N 2 2 208.265 -0.051 10 0 BBAELP CO[C@H]1C[NH2+][C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000041120091 358301218 /nfs/dbraw/zinc/30/12/18/358301218.db2.gz JJPKZXDKNFYILF-NXEZZACHSA-N 2 2 238.291 -0.624 10 0 BBAELP O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000041231671 182912305 /nfs/dbraw/zinc/91/23/05/182912305.db2.gz YOGMGBLTSPJSON-IUCAKERBSA-N 2 2 218.322 -0.485 10 0 BBAELP OCCOCC[NH2+]CC[NH+]1CCCC1 ZINC000041626553 183084126 /nfs/dbraw/zinc/08/41/26/183084126.db2.gz CUPVSVUJCAJQPP-UHFFFAOYSA-N 2 2 202.298 -0.319 10 0 BBAELP C[C@@H]1C[N@@H+](CC(=O)N2CCC[NH2+]CC2)CCO1 ZINC000042354455 176283565 /nfs/dbraw/zinc/28/35/65/176283565.db2.gz YKWLFCCWIXSBTD-LLVKDONJSA-N 2 2 241.335 -0.471 10 0 BBAELP C[C@@H]1C[N@H+](CC(=O)N2CCC[NH2+]CC2)CCO1 ZINC000042354455 176283564 /nfs/dbraw/zinc/28/35/64/176283564.db2.gz YKWLFCCWIXSBTD-LLVKDONJSA-N 2 2 241.335 -0.471 10 0 BBAELP C[C@H]1C[N@@H+](CC(=O)N2CCC[NH2+]CC2)CCO1 ZINC000042354458 177243992 /nfs/dbraw/zinc/24/39/92/177243992.db2.gz YKWLFCCWIXSBTD-NSHDSACASA-N 2 2 241.335 -0.471 10 0 BBAELP C[C@H]1C[N@H+](CC(=O)N2CCC[NH2+]CC2)CCO1 ZINC000042354458 177243991 /nfs/dbraw/zinc/24/39/91/177243991.db2.gz YKWLFCCWIXSBTD-NSHDSACASA-N 2 2 241.335 -0.471 10 0 BBAELP C[C@@H]1COCC[N@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000042354571 176336560 /nfs/dbraw/zinc/33/65/60/176336560.db2.gz XIVOEWQXCKCCGY-LLVKDONJSA-N 2 2 241.335 -0.471 10 0 BBAELP C[C@@H]1COCC[N@@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000042354571 176336558 /nfs/dbraw/zinc/33/65/58/176336558.db2.gz XIVOEWQXCKCCGY-LLVKDONJSA-N 2 2 241.335 -0.471 10 0 BBAELP C[C@H]1COCC[N@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000042354574 177291093 /nfs/dbraw/zinc/29/10/93/177291093.db2.gz XIVOEWQXCKCCGY-NSHDSACASA-N 2 2 241.335 -0.471 10 0 BBAELP C[C@H]1COCC[N@@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000042354574 177291090 /nfs/dbraw/zinc/29/10/90/177291090.db2.gz XIVOEWQXCKCCGY-NSHDSACASA-N 2 2 241.335 -0.471 10 0 BBAELP O=C(Cn1cc[nH+]c1)N1CCC[NH2+]CC1 ZINC000042354859 182070775 /nfs/dbraw/zinc/07/07/75/182070775.db2.gz CZRMJOSKAJBSCE-UHFFFAOYSA-N 2 2 208.265 -0.295 10 0 BBAELP C[NH2+]C[C@@H](O)C[N@H+]1CCOCC1(C)C ZINC000042461811 173365179 /nfs/dbraw/zinc/36/51/79/173365179.db2.gz FDEQJKHXOGDTIO-SECBINFHSA-N 2 2 202.298 -0.323 10 0 BBAELP C[NH2+]C[C@@H](O)C[N@@H+]1CCOCC1(C)C ZINC000042461811 173365177 /nfs/dbraw/zinc/36/51/77/173365177.db2.gz FDEQJKHXOGDTIO-SECBINFHSA-N 2 2 202.298 -0.323 10 0 BBAELP C[NH2+]C[C@H](O)C[N@H+]1CCOCC1(C)C ZINC000042461813 173376614 /nfs/dbraw/zinc/37/66/14/173376614.db2.gz FDEQJKHXOGDTIO-VIFPVBQESA-N 2 2 202.298 -0.323 10 0 BBAELP C[NH2+]C[C@H](O)C[N@@H+]1CCOCC1(C)C ZINC000042461813 173376612 /nfs/dbraw/zinc/37/66/12/173376612.db2.gz FDEQJKHXOGDTIO-VIFPVBQESA-N 2 2 202.298 -0.323 10 0 BBAELP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000042545930 188293655 /nfs/dbraw/zinc/29/36/55/188293655.db2.gz ZXBLDUXBVJIXJM-JTQLQIEISA-N 2 2 226.324 -0.177 10 0 BBAELP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000042545930 188293653 /nfs/dbraw/zinc/29/36/53/188293653.db2.gz ZXBLDUXBVJIXJM-JTQLQIEISA-N 2 2 226.324 -0.177 10 0 BBAELP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000042545932 173123805 /nfs/dbraw/zinc/12/38/05/173123805.db2.gz ZXBLDUXBVJIXJM-SNVBAGLBSA-N 2 2 226.324 -0.177 10 0 BBAELP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000042545932 173123802 /nfs/dbraw/zinc/12/38/02/173123802.db2.gz ZXBLDUXBVJIXJM-SNVBAGLBSA-N 2 2 226.324 -0.177 10 0 BBAELP C[N@H+]1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000042547611 173153019 /nfs/dbraw/zinc/15/30/19/173153019.db2.gz JGFHZYDGVXKZEG-VIFPVBQESA-N 2 2 212.297 -0.695 10 0 BBAELP C[N@@H+]1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000042547611 173153016 /nfs/dbraw/zinc/15/30/16/173153016.db2.gz JGFHZYDGVXKZEG-VIFPVBQESA-N 2 2 212.297 -0.695 10 0 BBAELP C[N@H+]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000042547614 173124194 /nfs/dbraw/zinc/12/41/94/173124194.db2.gz JGFHZYDGVXKZEG-SECBINFHSA-N 2 2 212.297 -0.695 10 0 BBAELP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000042547614 173124192 /nfs/dbraw/zinc/12/41/92/173124192.db2.gz JGFHZYDGVXKZEG-SECBINFHSA-N 2 2 212.297 -0.695 10 0 BBAELP CN1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000042547658 173066483 /nfs/dbraw/zinc/06/64/83/173066483.db2.gz UNBWHIRFKPUHRC-LLVKDONJSA-N 2 2 240.351 -0.946 10 0 BBAELP CN1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000042547661 173067630 /nfs/dbraw/zinc/06/76/30/173067630.db2.gz UNBWHIRFKPUHRC-NSHDSACASA-N 2 2 240.351 -0.946 10 0 BBAELP C[N@H+]1CC[C@H]([NH2+]CCN2CCOCC2)C1 ZINC000042547664 173152826 /nfs/dbraw/zinc/15/28/26/173152826.db2.gz CRQIDOPJBLHQEE-NSHDSACASA-N 2 2 213.325 -0.388 10 0 BBAELP C[N@@H+]1CC[C@H]([NH2+]CCN2CCOCC2)C1 ZINC000042547664 173152825 /nfs/dbraw/zinc/15/28/25/173152825.db2.gz CRQIDOPJBLHQEE-NSHDSACASA-N 2 2 213.325 -0.388 10 0 BBAELP C[N@H+]1CC[C@@H]([NH2+]CCN2CCOCC2)C1 ZINC000042547667 173123492 /nfs/dbraw/zinc/12/34/92/173123492.db2.gz CRQIDOPJBLHQEE-LLVKDONJSA-N 2 2 213.325 -0.388 10 0 BBAELP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCOCC2)C1 ZINC000042547667 173123489 /nfs/dbraw/zinc/12/34/89/173123489.db2.gz CRQIDOPJBLHQEE-LLVKDONJSA-N 2 2 213.325 -0.388 10 0 BBAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000042549000 173122521 /nfs/dbraw/zinc/12/25/21/173122521.db2.gz KHCRHBGWGBASNN-SFYZADRCSA-N 2 2 215.322 -0.531 10 0 BBAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000042549000 173122519 /nfs/dbraw/zinc/12/25/19/173122519.db2.gz KHCRHBGWGBASNN-SFYZADRCSA-N 2 2 215.322 -0.531 10 0 BBAELP C([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1COCCO1 ZINC000043327390 343051195 /nfs/dbraw/zinc/05/11/95/343051195.db2.gz ZTFKWIUOVQTUFE-VHSXEESVSA-N 2 2 200.282 -0.257 10 0 BBAELP C([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1COCCO1 ZINC000043327391 343051361 /nfs/dbraw/zinc/05/13/61/343051361.db2.gz ZTFKWIUOVQTUFE-NXEZZACHSA-N 2 2 200.282 -0.257 10 0 BBAELP C([NH2+][C@H]1CCC[NH2+]C1)[C@H]1COCCO1 ZINC000043327392 188295597 /nfs/dbraw/zinc/29/55/97/188295597.db2.gz ZTFKWIUOVQTUFE-UWVGGRQHSA-N 2 2 200.282 -0.257 10 0 BBAELP C([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1COCCO1 ZINC000043327393 384764744 /nfs/dbraw/zinc/76/47/44/384764744.db2.gz ZTFKWIUOVQTUFE-ZJUUUORDSA-N 2 2 200.282 -0.257 10 0 BBAELP [NH3+]C[C@@H](O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000043424997 343066947 /nfs/dbraw/zinc/06/69/47/343066947.db2.gz JZMUFAJBTPFOHS-OPRDCNLKSA-N 2 2 200.282 -0.441 10 0 BBAELP [NH3+]C[C@@H](O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000043424997 343066946 /nfs/dbraw/zinc/06/69/46/343066946.db2.gz JZMUFAJBTPFOHS-OPRDCNLKSA-N 2 2 200.282 -0.441 10 0 BBAELP [NH3+]C[C@@H](O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043424998 343066985 /nfs/dbraw/zinc/06/69/85/343066985.db2.gz JZMUFAJBTPFOHS-KXUCPTDWSA-N 2 2 200.282 -0.441 10 0 BBAELP [NH3+]C[C@@H](O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043424998 343066984 /nfs/dbraw/zinc/06/69/84/343066984.db2.gz JZMUFAJBTPFOHS-KXUCPTDWSA-N 2 2 200.282 -0.441 10 0 BBAELP [NH3+]C[C@@H](O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000043424999 343066900 /nfs/dbraw/zinc/06/69/00/343066900.db2.gz JZMUFAJBTPFOHS-BBBLOLIVSA-N 2 2 200.282 -0.441 10 0 BBAELP [NH3+]C[C@@H](O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000043424999 343066899 /nfs/dbraw/zinc/06/68/99/343066899.db2.gz JZMUFAJBTPFOHS-BBBLOLIVSA-N 2 2 200.282 -0.441 10 0 BBAELP [NH3+]C[C@@H](O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043425000 343066884 /nfs/dbraw/zinc/06/68/84/343066884.db2.gz JZMUFAJBTPFOHS-UTLUCORTSA-N 2 2 200.282 -0.441 10 0 BBAELP [NH3+]C[C@@H](O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043425000 343066883 /nfs/dbraw/zinc/06/68/83/343066883.db2.gz JZMUFAJBTPFOHS-UTLUCORTSA-N 2 2 200.282 -0.441 10 0 BBAELP C[NH2+]CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000043605341 173339553 /nfs/dbraw/zinc/33/95/53/173339553.db2.gz MHBNFPJEFUAIQO-UHFFFAOYSA-N 2 2 210.281 -0.012 10 0 BBAELP NC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044557946 384344097 /nfs/dbraw/zinc/34/40/97/384344097.db2.gz ANRWQUAMNKNOCK-QMMMGPOBSA-N 2 2 228.296 -0.615 10 0 BBAELP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044557946 384344089 /nfs/dbraw/zinc/34/40/89/384344089.db2.gz ANRWQUAMNKNOCK-QMMMGPOBSA-N 2 2 228.296 -0.615 10 0 BBAELP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044557949 386723309 /nfs/dbraw/zinc/72/33/09/386723309.db2.gz ANRWQUAMNKNOCK-MRVPVSSYSA-N 2 2 228.296 -0.615 10 0 BBAELP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044557949 386723303 /nfs/dbraw/zinc/72/33/03/386723303.db2.gz ANRWQUAMNKNOCK-MRVPVSSYSA-N 2 2 228.296 -0.615 10 0 BBAELP C[C@]1([NH2+]C[C@@H]2CCC[NH2+]2)CCS(=O)(=O)C1 ZINC000044933737 177469813 /nfs/dbraw/zinc/46/98/13/177469813.db2.gz LRGSZYLUTKTDKM-UWVGGRQHSA-N 2 2 232.349 -0.095 10 0 BBAELP CC(C)([NH3+])C[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000044933790 188123981 /nfs/dbraw/zinc/12/39/81/188123981.db2.gz WMMHOLXZHRMARS-SECBINFHSA-N 2 2 220.338 -0.110 10 0 BBAELP CNC(=O)CC[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000044988977 173260083 /nfs/dbraw/zinc/26/00/83/173260083.db2.gz FJUPQDXJIRZKPA-SNVBAGLBSA-N 2 2 211.309 -0.194 10 0 BBAELP CNC(=O)CC[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000044988979 173260115 /nfs/dbraw/zinc/26/01/15/173260115.db2.gz FJUPQDXJIRZKPA-JTQLQIEISA-N 2 2 211.309 -0.194 10 0 BBAELP COCC[C@@](C)(C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000045044000 174399610 /nfs/dbraw/zinc/39/96/10/174399610.db2.gz GQQKYQUTGIGYQV-NSHDSACASA-N 2 2 229.324 -0.438 10 0 BBAELP COCC[C@@](C)(C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000045044000 174399608 /nfs/dbraw/zinc/39/96/08/174399608.db2.gz GQQKYQUTGIGYQV-NSHDSACASA-N 2 2 229.324 -0.438 10 0 BBAELP CCOC(=O)[C@H]([NH3+])CN1CC[NH+](C)CC1 ZINC000045376210 170275571 /nfs/dbraw/zinc/27/55/71/170275571.db2.gz RGNSLJNTPWUPHX-SECBINFHSA-N 2 2 215.297 -0.876 10 0 BBAELP CCOC(=O)[C@@H]([NH3+])CN1CC[NH+](C)CC1 ZINC000045376212 170252732 /nfs/dbraw/zinc/25/27/32/170252732.db2.gz RGNSLJNTPWUPHX-VIFPVBQESA-N 2 2 215.297 -0.876 10 0 BBAELP C[C@](Cn1cc[nH+]c1)([NH2+]C1CC1)C(N)=O ZINC000045432262 582879047 /nfs/dbraw/zinc/87/90/47/582879047.db2.gz AYPQVBKCHPFPQL-SNVBAGLBSA-N 2 2 208.265 -0.121 10 0 BBAELP C[C@@](Cn1cc[nH+]c1)([NH2+]C1CC1)C(N)=O ZINC000045432265 582879520 /nfs/dbraw/zinc/87/95/20/582879520.db2.gz AYPQVBKCHPFPQL-JTQLQIEISA-N 2 2 208.265 -0.121 10 0 BBAELP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000045626694 173367540 /nfs/dbraw/zinc/36/75/40/173367540.db2.gz AKERANPJWXUDCW-DTWKUNHWSA-N 2 2 225.292 -0.667 10 0 BBAELP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000045626694 173367539 /nfs/dbraw/zinc/36/75/39/173367539.db2.gz AKERANPJWXUDCW-DTWKUNHWSA-N 2 2 225.292 -0.667 10 0 BBAELP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000045626695 173378442 /nfs/dbraw/zinc/37/84/42/173378442.db2.gz AKERANPJWXUDCW-RKDXNWHRSA-N 2 2 225.292 -0.667 10 0 BBAELP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000045626695 173378441 /nfs/dbraw/zinc/37/84/41/173378441.db2.gz AKERANPJWXUDCW-RKDXNWHRSA-N 2 2 225.292 -0.667 10 0 BBAELP CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)C[NH+](CC)CC ZINC000049201354 170087604 /nfs/dbraw/zinc/08/76/04/170087604.db2.gz LRSVNDURFQWCBB-MNOVXSKESA-N 2 2 245.367 -0.197 10 0 BBAELP CCNC(=O)[C@H](C)[NH2+]C[C@H](O)C[NH+](CC)CC ZINC000049201358 170095182 /nfs/dbraw/zinc/09/51/82/170095182.db2.gz LRSVNDURFQWCBB-QWRGUYRKSA-N 2 2 245.367 -0.197 10 0 BBAELP CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000049201362 170088085 /nfs/dbraw/zinc/08/80/85/170088085.db2.gz LRSVNDURFQWCBB-GHMZBOCLSA-N 2 2 245.367 -0.197 10 0 BBAELP CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000049201366 170094688 /nfs/dbraw/zinc/09/46/88/170094688.db2.gz LRSVNDURFQWCBB-WDEREUQCSA-N 2 2 245.367 -0.197 10 0 BBAELP CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000049201436 170087570 /nfs/dbraw/zinc/08/75/70/170087570.db2.gz OCTWTJSIJZNKSS-MNOVXSKESA-N 2 2 243.351 -0.443 10 0 BBAELP CCNC(=O)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000049201440 170094612 /nfs/dbraw/zinc/09/46/12/170094612.db2.gz OCTWTJSIJZNKSS-QWRGUYRKSA-N 2 2 243.351 -0.443 10 0 BBAELP CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000049201444 170087745 /nfs/dbraw/zinc/08/77/45/170087745.db2.gz OCTWTJSIJZNKSS-GHMZBOCLSA-N 2 2 243.351 -0.443 10 0 BBAELP CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000049201447 170095096 /nfs/dbraw/zinc/09/50/96/170095096.db2.gz OCTWTJSIJZNKSS-WDEREUQCSA-N 2 2 243.351 -0.443 10 0 BBAELP CC(C)OCC[N@@H+](CC(N)=O)C1CC[NH2+]CC1 ZINC000049260895 167229683 /nfs/dbraw/zinc/22/96/83/167229683.db2.gz SJFBLUSXAKEUPU-UHFFFAOYSA-N 2 2 243.351 -0.049 10 0 BBAELP CC(C)OCC[N@H+](CC(N)=O)C1CC[NH2+]CC1 ZINC000049260895 167229680 /nfs/dbraw/zinc/22/96/80/167229680.db2.gz SJFBLUSXAKEUPU-UHFFFAOYSA-N 2 2 243.351 -0.049 10 0 BBAELP COCCCNC(=O)C[N@@H+](CCC[NH3+])C1CC1 ZINC000049282684 174237914 /nfs/dbraw/zinc/23/79/14/174237914.db2.gz ZDPOYQCMIHORKN-UHFFFAOYSA-N 2 2 243.351 -0.048 10 0 BBAELP COCCCNC(=O)C[N@H+](CCC[NH3+])C1CC1 ZINC000049282684 174237912 /nfs/dbraw/zinc/23/79/12/174237912.db2.gz ZDPOYQCMIHORKN-UHFFFAOYSA-N 2 2 243.351 -0.048 10 0 BBAELP CN(C(=O)C[NH+]1CCN(CC[NH3+])CC1)C1CC1 ZINC000049304153 172309327 /nfs/dbraw/zinc/30/93/27/172309327.db2.gz YATDXFVESWKBKL-UHFFFAOYSA-N 2 2 240.351 -0.817 10 0 BBAELP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000049329650 180254793 /nfs/dbraw/zinc/25/47/93/180254793.db2.gz CTSYVGQAMVQOBI-LLVKDONJSA-N 3 2 224.308 -0.149 10 0 BBAELP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000049329650 180254791 /nfs/dbraw/zinc/25/47/91/180254791.db2.gz CTSYVGQAMVQOBI-LLVKDONJSA-N 3 2 224.308 -0.149 10 0 BBAELP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049329652 180256845 /nfs/dbraw/zinc/25/68/45/180256845.db2.gz CTSYVGQAMVQOBI-NSHDSACASA-N 3 2 224.308 -0.149 10 0 BBAELP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000049329652 180256844 /nfs/dbraw/zinc/25/68/44/180256844.db2.gz CTSYVGQAMVQOBI-NSHDSACASA-N 3 2 224.308 -0.149 10 0 BBAELP CC[NH2+]CC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000049474658 170115656 /nfs/dbraw/zinc/11/56/56/170115656.db2.gz RHXQYQLCPVZEGH-UHFFFAOYSA-N 3 2 228.384 -0.177 10 0 BBAELP CC[NH2+]CC[NH2+]CCN1CCOCC1 ZINC000049474810 170115575 /nfs/dbraw/zinc/11/55/75/170115575.db2.gz BDUOCIPSFOBZRT-UHFFFAOYSA-N 2 2 201.314 -0.482 10 0 BBAELP C[NH+]1CCN(CCC[NH2+]CC[NH3+])CC1 ZINC000049475047 173079813 /nfs/dbraw/zinc/07/98/13/173079813.db2.gz JGBRDTUJARNVDL-UHFFFAOYSA-N 3 2 200.330 -0.828 10 0 BBAELP CC[NH2+]CC[NH2+]CCCN1CCOCC1 ZINC000049475217 170115288 /nfs/dbraw/zinc/11/52/88/170115288.db2.gz IVBZCRMKVTWACM-UHFFFAOYSA-N 2 2 215.341 -0.092 10 0 BBAELP CCC[NH2+]CC[NH2+]CCN1CCOCC1 ZINC000049477767 169259339 /nfs/dbraw/zinc/25/93/39/169259339.db2.gz AGRASXLFRQXLOQ-UHFFFAOYSA-N 2 2 215.341 -0.092 10 0 BBAELP C[NH2+]CC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000049477854 173355753 /nfs/dbraw/zinc/35/57/53/173355753.db2.gz YZJANPDAGBTMGV-UHFFFAOYSA-N 3 2 214.357 -0.567 10 0 BBAELP C[NH2+]CC[NH2+]CCCN1CCOCC1 ZINC000049478500 173355864 /nfs/dbraw/zinc/35/58/64/173355864.db2.gz HSNZRJMYVDRNOY-UHFFFAOYSA-N 2 2 201.314 -0.482 10 0 BBAELP C[NH2+]CCNCCC[NH+]1CCOCC1 ZINC000049478500 173355861 /nfs/dbraw/zinc/35/58/61/173355861.db2.gz HSNZRJMYVDRNOY-UHFFFAOYSA-N 2 2 201.314 -0.482 10 0 BBAELP CC(C)[NH2+]CC[NH2+]CCN1CCOCC1 ZINC000049478704 167106516 /nfs/dbraw/zinc/10/65/16/167106516.db2.gz QQWVKYRDECTYIO-UHFFFAOYSA-N 2 2 215.341 -0.094 10 0 BBAELP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)NC2=O)CC1 ZINC000049554846 169189662 /nfs/dbraw/zinc/18/96/62/169189662.db2.gz BCQDJJJOKLBORN-SNVBAGLBSA-N 2 2 239.319 -0.135 10 0 BBAELP C[NH+]1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000049631947 173092530 /nfs/dbraw/zinc/09/25/30/173092530.db2.gz LKEQSLHXWQWGII-JTQLQIEISA-N 2 2 247.364 -0.684 10 0 BBAELP C[NH+]1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000049631948 173093471 /nfs/dbraw/zinc/09/34/71/173093471.db2.gz LKEQSLHXWQWGII-SNVBAGLBSA-N 2 2 247.364 -0.684 10 0 BBAELP C[NH+]1CCN(S(=O)(=O)C2CC[NH2+]CC2)CC1 ZINC000049631950 173091865 /nfs/dbraw/zinc/09/18/65/173091865.db2.gz CHMUTSHNMCBQMO-UHFFFAOYSA-N 2 2 247.364 -0.684 10 0 BBAELP C([C@H]1COCCO1)[N@H+]1CCC[NH2+]CC1 ZINC000049660634 188299103 /nfs/dbraw/zinc/29/91/03/188299103.db2.gz DSVQVHWHGQQSQR-JTQLQIEISA-N 2 2 200.282 -0.303 10 0 BBAELP C([C@H]1COCCO1)[N@@H+]1CCC[NH2+]CC1 ZINC000049660634 188299101 /nfs/dbraw/zinc/29/91/01/188299101.db2.gz DSVQVHWHGQQSQR-JTQLQIEISA-N 2 2 200.282 -0.303 10 0 BBAELP C[C@@H]1C[NH2+]CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC000049662703 176323887 /nfs/dbraw/zinc/32/38/87/176323887.db2.gz JBWMDQPLZTVUNI-SNVBAGLBSA-N 2 2 234.365 -0.038 10 0 BBAELP C[C@@H]1C[NH2+]CCC[N@H+](CCS(C)(=O)=O)C1 ZINC000049662703 176323885 /nfs/dbraw/zinc/32/38/85/176323885.db2.gz JBWMDQPLZTVUNI-SNVBAGLBSA-N 2 2 234.365 -0.038 10 0 BBAELP C[C@H]1C[NH2+]CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC000049662705 177281829 /nfs/dbraw/zinc/28/18/29/177281829.db2.gz JBWMDQPLZTVUNI-JTQLQIEISA-N 2 2 234.365 -0.038 10 0 BBAELP C[C@H]1C[NH2+]CCC[N@H+](CCS(C)(=O)=O)C1 ZINC000049662705 177281828 /nfs/dbraw/zinc/28/18/28/177281828.db2.gz JBWMDQPLZTVUNI-JTQLQIEISA-N 2 2 234.365 -0.038 10 0 BBAELP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000049713077 176292513 /nfs/dbraw/zinc/29/25/13/176292513.db2.gz FXJKPQGYISSWLB-BDAKNGLRSA-N 2 2 220.338 -0.300 10 0 BBAELP C[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000049713077 176292511 /nfs/dbraw/zinc/29/25/11/176292511.db2.gz FXJKPQGYISSWLB-BDAKNGLRSA-N 2 2 220.338 -0.300 10 0 BBAELP C[C@H]1C[N@@H+](CCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000049713078 177253121 /nfs/dbraw/zinc/25/31/21/177253121.db2.gz FXJKPQGYISSWLB-IUCAKERBSA-N 2 2 220.338 -0.300 10 0 BBAELP C[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000049713078 177253120 /nfs/dbraw/zinc/25/31/20/177253120.db2.gz FXJKPQGYISSWLB-IUCAKERBSA-N 2 2 220.338 -0.300 10 0 BBAELP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCS(C)(=O)=O ZINC000049713088 177365042 /nfs/dbraw/zinc/36/50/42/177365042.db2.gz RXQDIAGUGWSNBT-DTWKUNHWSA-N 2 2 220.338 -0.157 10 0 BBAELP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCS(C)(=O)=O ZINC000049713088 177365039 /nfs/dbraw/zinc/36/50/39/177365039.db2.gz RXQDIAGUGWSNBT-DTWKUNHWSA-N 2 2 220.338 -0.157 10 0 BBAELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCS(C)(=O)=O ZINC000049713089 176371120 /nfs/dbraw/zinc/37/11/20/176371120.db2.gz RXQDIAGUGWSNBT-BDAKNGLRSA-N 2 2 220.338 -0.157 10 0 BBAELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCS(C)(=O)=O ZINC000049713089 176371119 /nfs/dbraw/zinc/37/11/19/176371119.db2.gz RXQDIAGUGWSNBT-BDAKNGLRSA-N 2 2 220.338 -0.157 10 0 BBAELP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCS(C)(=O)=O ZINC000049713090 177327912 /nfs/dbraw/zinc/32/79/12/177327912.db2.gz RXQDIAGUGWSNBT-IUCAKERBSA-N 2 2 220.338 -0.157 10 0 BBAELP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCS(C)(=O)=O ZINC000049713090 177327911 /nfs/dbraw/zinc/32/79/11/177327911.db2.gz RXQDIAGUGWSNBT-IUCAKERBSA-N 2 2 220.338 -0.157 10 0 BBAELP CN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000050248273 173067385 /nfs/dbraw/zinc/06/73/85/173067385.db2.gz WLZSWMXXIRLKSO-LLVKDONJSA-N 2 2 240.351 -0.959 10 0 BBAELP CN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000050248273 173067383 /nfs/dbraw/zinc/06/73/83/173067383.db2.gz WLZSWMXXIRLKSO-LLVKDONJSA-N 2 2 240.351 -0.959 10 0 BBAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000050248273 173067382 /nfs/dbraw/zinc/06/73/82/173067382.db2.gz WLZSWMXXIRLKSO-LLVKDONJSA-N 3 2 240.351 -0.959 10 0 BBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000050248273 173067380 /nfs/dbraw/zinc/06/73/80/173067380.db2.gz WLZSWMXXIRLKSO-LLVKDONJSA-N 3 2 240.351 -0.959 10 0 BBAELP CN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000050248275 173067911 /nfs/dbraw/zinc/06/79/11/173067911.db2.gz WLZSWMXXIRLKSO-NSHDSACASA-N 2 2 240.351 -0.959 10 0 BBAELP CN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000050248275 173067909 /nfs/dbraw/zinc/06/79/09/173067909.db2.gz WLZSWMXXIRLKSO-NSHDSACASA-N 2 2 240.351 -0.959 10 0 BBAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000050248275 173067908 /nfs/dbraw/zinc/06/79/08/173067908.db2.gz WLZSWMXXIRLKSO-NSHDSACASA-N 3 2 240.351 -0.959 10 0 BBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000050248275 173067906 /nfs/dbraw/zinc/06/79/06/173067906.db2.gz WLZSWMXXIRLKSO-NSHDSACASA-N 3 2 240.351 -0.959 10 0 BBAELP CC[NH2+]C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000050270380 170108512 /nfs/dbraw/zinc/10/85/12/170108512.db2.gz UVUFFVLRJMDEHG-UHFFFAOYSA-N 2 2 206.311 -0.498 10 0 BBAELP [NH3+]CC1([NH2+]C2CC2)CCS(=O)(=O)CC1 ZINC000050271389 181360822 /nfs/dbraw/zinc/36/08/22/181360822.db2.gz DFLKXGCMEQRCRI-UHFFFAOYSA-N 2 2 218.322 -0.356 10 0 BBAELP C[NH+]1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000050393954 384202062 /nfs/dbraw/zinc/20/20/62/384202062.db2.gz NTQSHZZNNSSYBB-SNVBAGLBSA-N 2 2 211.309 -0.051 10 0 BBAELP C[NH+]1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000050393956 384202678 /nfs/dbraw/zinc/20/26/78/384202678.db2.gz NTQSHZZNNSSYBB-JTQLQIEISA-N 2 2 211.309 -0.051 10 0 BBAELP [NH3+]C1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000050602374 181344534 /nfs/dbraw/zinc/34/45/34/181344534.db2.gz OBVBOQPMKHVDIV-VIFPVBQESA-N 2 2 232.349 -0.156 10 0 BBAELP [NH3+]C1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000050602377 181344632 /nfs/dbraw/zinc/34/46/32/181344632.db2.gz OBVBOQPMKHVDIV-SECBINFHSA-N 2 2 232.349 -0.156 10 0 BBAELP CN1CC[NH+](C[C@]2(C[NH3+])CCOC2)CC1 ZINC000051209113 173084175 /nfs/dbraw/zinc/08/41/75/173084175.db2.gz LOFSSAVKYWTMGA-LLVKDONJSA-N 2 2 213.325 -0.401 10 0 BBAELP CN1CC[NH+](C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000051209116 173085366 /nfs/dbraw/zinc/08/53/66/173085366.db2.gz LOFSSAVKYWTMGA-NSHDSACASA-N 2 2 213.325 -0.401 10 0 BBAELP Cc1[nH+]ccn1CCN1CC[NH2+]CC1=O ZINC000051666655 180255234 /nfs/dbraw/zinc/25/52/34/180255234.db2.gz LVOOVPPEGGBSEO-UHFFFAOYSA-N 2 2 208.265 -0.377 10 0 BBAELP CNC(=O)C1CC[NH+]([C@@H]2CC[NH2+]C2)CC1 ZINC000051783218 173223766 /nfs/dbraw/zinc/22/37/66/173223766.db2.gz NHLRNIHYZPSEDI-SNVBAGLBSA-N 2 2 211.309 -0.194 10 0 BBAELP CNC(=O)C1CC[NH+]([C@H]2CC[NH2+]C2)CC1 ZINC000051783219 173224763 /nfs/dbraw/zinc/22/47/63/173224763.db2.gz NHLRNIHYZPSEDI-JTQLQIEISA-N 2 2 211.309 -0.194 10 0 BBAELP NC(=O)CC1CC[NH+]([C@@H]2CC[NH2+]C2)CC1 ZINC000051783334 181220486 /nfs/dbraw/zinc/22/04/86/181220486.db2.gz QULITQJRUSJBSG-SNVBAGLBSA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)CC1CC[NH+]([C@H]2CC[NH2+]C2)CC1 ZINC000051783337 181220077 /nfs/dbraw/zinc/22/00/77/181220077.db2.gz QULITQJRUSJBSG-JTQLQIEISA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)[C@H](C1CCOCC1)[N@H+]1CCC[NH2+]CC1 ZINC000052178848 181276875 /nfs/dbraw/zinc/27/68/75/181276875.db2.gz WTRFLMWOIVVKME-NSHDSACASA-N 2 2 241.335 -0.438 10 0 BBAELP NC(=O)[C@H](C1CCOCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000052178848 181276872 /nfs/dbraw/zinc/27/68/72/181276872.db2.gz WTRFLMWOIVVKME-NSHDSACASA-N 2 2 241.335 -0.438 10 0 BBAELP NC(=O)[C@@H](C1CCOCC1)[N@H+]1CCC[NH2+]CC1 ZINC000052178850 181263341 /nfs/dbraw/zinc/26/33/41/181263341.db2.gz WTRFLMWOIVVKME-LLVKDONJSA-N 2 2 241.335 -0.438 10 0 BBAELP NC(=O)[C@@H](C1CCOCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000052178850 181263337 /nfs/dbraw/zinc/26/33/37/181263337.db2.gz WTRFLMWOIVVKME-LLVKDONJSA-N 2 2 241.335 -0.438 10 0 BBAELP C[NH+]1CCN(C(=O)C[NH2+]C2CCC2)CC1 ZINC000052210563 173068064 /nfs/dbraw/zinc/06/80/64/173068064.db2.gz JEAHXKSITQLPSS-UHFFFAOYSA-N 2 2 211.309 -0.098 10 0 BBAELP C[C@H]1C[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000052288209 177349834 /nfs/dbraw/zinc/34/98/34/177349834.db2.gz FQKNUDILHOASKV-UWVGGRQHSA-N 2 2 211.309 -0.242 10 0 BBAELP C[C@H]1C[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000052288215 177385292 /nfs/dbraw/zinc/38/52/92/177385292.db2.gz FQKNUDILHOASKV-VHSXEESVSA-N 2 2 211.309 -0.242 10 0 BBAELP C[C@@H]1C[N@@H+](CCn2cc(C[NH3+])nn2)CCO1 ZINC000052382557 176295516 /nfs/dbraw/zinc/29/55/16/176295516.db2.gz ALIHZWWLVVJUDK-SECBINFHSA-N 2 2 225.296 -0.543 10 0 BBAELP C[C@@H]1C[N@H+](CCn2cc(C[NH3+])nn2)CCO1 ZINC000052382557 176295514 /nfs/dbraw/zinc/29/55/14/176295514.db2.gz ALIHZWWLVVJUDK-SECBINFHSA-N 2 2 225.296 -0.543 10 0 BBAELP C[C@H]1C[N@@H+](CCn2cc(C[NH3+])nn2)CCO1 ZINC000052382558 177255582 /nfs/dbraw/zinc/25/55/82/177255582.db2.gz ALIHZWWLVVJUDK-VIFPVBQESA-N 2 2 225.296 -0.543 10 0 BBAELP C[C@H]1C[N@H+](CCn2cc(C[NH3+])nn2)CCO1 ZINC000052382558 177255580 /nfs/dbraw/zinc/25/55/80/177255580.db2.gz ALIHZWWLVVJUDK-VIFPVBQESA-N 2 2 225.296 -0.543 10 0 BBAELP CN1CCC[N@@H+](CCn2cc(C[NH3+])nn2)CC1 ZINC000052424272 173014407 /nfs/dbraw/zinc/01/44/07/173014407.db2.gz XPWMZDMEZBNSMV-UHFFFAOYSA-N 2 2 238.339 -0.626 10 0 BBAELP CN1CCC[N@H+](CCn2cc(C[NH3+])nn2)CC1 ZINC000052424272 173014406 /nfs/dbraw/zinc/01/44/06/173014406.db2.gz XPWMZDMEZBNSMV-UHFFFAOYSA-N 2 2 238.339 -0.626 10 0 BBAELP C[C@@H]1COCC[N@H+]1CCn1cc(C[NH3+])nn1 ZINC000052475959 176336432 /nfs/dbraw/zinc/33/64/32/176336432.db2.gz PRNDFHVMGCCSBH-SECBINFHSA-N 2 2 225.296 -0.543 10 0 BBAELP C[C@@H]1COCC[N@@H+]1CCn1cc(C[NH3+])nn1 ZINC000052475959 176336430 /nfs/dbraw/zinc/33/64/30/176336430.db2.gz PRNDFHVMGCCSBH-SECBINFHSA-N 2 2 225.296 -0.543 10 0 BBAELP C[C@H]1COCC[N@H+]1CCn1cc(C[NH3+])nn1 ZINC000052475960 177292406 /nfs/dbraw/zinc/29/24/06/177292406.db2.gz PRNDFHVMGCCSBH-VIFPVBQESA-N 2 2 225.296 -0.543 10 0 BBAELP C[C@H]1COCC[N@@H+]1CCn1cc(C[NH3+])nn1 ZINC000052475960 177292405 /nfs/dbraw/zinc/29/24/05/177292405.db2.gz PRNDFHVMGCCSBH-VIFPVBQESA-N 2 2 225.296 -0.543 10 0 BBAELP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516441 173371916 /nfs/dbraw/zinc/37/19/16/173371916.db2.gz NGBLBMMAJBHTRG-WDEREUQCSA-N 2 2 246.376 -0.182 10 0 BBAELP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516442 173382547 /nfs/dbraw/zinc/38/25/47/173382547.db2.gz NGBLBMMAJBHTRG-GHMZBOCLSA-N 2 2 246.376 -0.182 10 0 BBAELP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516443 173371732 /nfs/dbraw/zinc/37/17/32/173371732.db2.gz NGBLBMMAJBHTRG-QWRGUYRKSA-N 2 2 246.376 -0.182 10 0 BBAELP C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516444 173382694 /nfs/dbraw/zinc/38/26/94/173382694.db2.gz NGBLBMMAJBHTRG-MNOVXSKESA-N 2 2 246.376 -0.182 10 0 BBAELP COCC[C@@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000052809018 174392255 /nfs/dbraw/zinc/39/22/55/174392255.db2.gz NOSCJJNIZHZEFA-SECBINFHSA-N 2 2 240.307 -0.258 10 0 BBAELP CCOC(=O)[C@H]([NH3+])CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053248370 170274717 /nfs/dbraw/zinc/27/47/17/170274717.db2.gz BJDXMVFWCRDIQB-GHMZBOCLSA-N 2 2 243.351 -0.097 10 0 BBAELP CCOC(=O)[C@H]([NH3+])CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053248370 170274716 /nfs/dbraw/zinc/27/47/16/170274716.db2.gz BJDXMVFWCRDIQB-GHMZBOCLSA-N 2 2 243.351 -0.097 10 0 BBAELP CCOC(=O)[C@@H]([NH3+])CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053248372 170252357 /nfs/dbraw/zinc/25/23/57/170252357.db2.gz BJDXMVFWCRDIQB-MNOVXSKESA-N 2 2 243.351 -0.097 10 0 BBAELP CCOC(=O)[C@@H]([NH3+])CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053248372 170252355 /nfs/dbraw/zinc/25/23/55/170252355.db2.gz BJDXMVFWCRDIQB-MNOVXSKESA-N 2 2 243.351 -0.097 10 0 BBAELP COCC[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000053256796 174330199 /nfs/dbraw/zinc/33/01/99/174330199.db2.gz MEWDDTZXZQHMNC-DHHPTOIESA-N 2 2 241.335 -0.297 10 0 BBAELP COCC[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000053256796 174330197 /nfs/dbraw/zinc/33/01/97/174330197.db2.gz MEWDDTZXZQHMNC-DHHPTOIESA-N 2 2 241.335 -0.297 10 0 BBAELP C[NH2+][C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000054071678 487680935 /nfs/dbraw/zinc/68/09/35/487680935.db2.gz JEDDFQFWOSKZMU-SECBINFHSA-N 2 2 215.297 -0.957 10 0 BBAELP C[NH2+][C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000054071915 348874804 /nfs/dbraw/zinc/87/48/04/348874804.db2.gz 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10 0 BBAELP C[C@H]1C[N@@H+](CC[C@](C)([NH3+])C(N)=O)CCCO1 ZINC000061933405 177254651 /nfs/dbraw/zinc/25/46/51/177254651.db2.gz NCMJPSFXEQNMFH-ONGXEEELSA-N 2 2 229.324 -0.310 10 0 BBAELP C[C@H]1C[N@H+](CC[C@](C)([NH3+])C(N)=O)CCCO1 ZINC000061933405 177254648 /nfs/dbraw/zinc/25/46/48/177254648.db2.gz NCMJPSFXEQNMFH-ONGXEEELSA-N 2 2 229.324 -0.310 10 0 BBAELP C[N@H+]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000061988965 173081147 /nfs/dbraw/zinc/08/11/47/173081147.db2.gz YAPIBIONDRDCEP-GFCCVEGCSA-N 3 2 226.368 -0.473 10 0 BBAELP C[N@@H+]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000061988965 173081146 /nfs/dbraw/zinc/08/11/46/173081146.db2.gz YAPIBIONDRDCEP-GFCCVEGCSA-N 3 2 226.368 -0.473 10 0 BBAELP C[N@H+]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000061988966 173082120 /nfs/dbraw/zinc/08/21/20/173082120.db2.gz YAPIBIONDRDCEP-LBPRGKRZSA-N 3 2 226.368 -0.473 10 0 BBAELP C[N@@H+]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C1 ZINC000061988966 173082118 /nfs/dbraw/zinc/08/21/18/173082118.db2.gz 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/nfs/dbraw/zinc/37/67/88/173376788.db2.gz XCAMDZVAIXBWHO-VIFPVBQESA-N 2 2 210.281 -0.721 10 0 BBAELP C[NH2+]C[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000062250115 173364925 /nfs/dbraw/zinc/36/49/25/173364925.db2.gz XCAMDZVAIXBWHO-SECBINFHSA-N 2 2 210.281 -0.721 10 0 BBAELP c1cn2c(n1)C[N@@H+](CCN1CC[NH2+]CC1)CC2 ZINC000062252246 349462501 /nfs/dbraw/zinc/46/25/01/349462501.db2.gz DMHHVSWUEVWOCX-UHFFFAOYSA-N 2 2 235.335 -0.396 10 0 BBAELP c1cn2c(n1)C[N@H+](CCN1CC[NH2+]CC1)CC2 ZINC000062252246 349462499 /nfs/dbraw/zinc/46/24/99/349462499.db2.gz DMHHVSWUEVWOCX-UHFFFAOYSA-N 2 2 235.335 -0.396 10 0 BBAELP [NH3+]CCCS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000062252858 181385027 /nfs/dbraw/zinc/38/50/27/181385027.db2.gz WKCPZDBPTLBNEE-UHFFFAOYSA-N 2 2 244.320 -0.623 10 0 BBAELP CC(C)([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254545 188183405 /nfs/dbraw/zinc/18/34/05/188183405.db2.gz SJGGOIONFQXVEM-UHFFFAOYSA-N 2 2 208.265 -0.037 10 0 BBAELP O=C([C@@H]1CCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254562 182617273 /nfs/dbraw/zinc/61/72/73/182617273.db2.gz QMRUEGJHJRAEGM-VIFPVBQESA-N 2 2 220.276 -0.023 10 0 BBAELP C[NH2+]CCC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254616 173340043 /nfs/dbraw/zinc/34/00/43/173340043.db2.gz QXHFFHNXJMRXOJ-UHFFFAOYSA-N 2 2 208.265 -0.165 10 0 BBAELP CC[NH2+]CC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254654 170109374 /nfs/dbraw/zinc/10/93/74/170109374.db2.gz TWRQUFIHKWVWCI-UHFFFAOYSA-N 2 2 208.265 -0.165 10 0 BBAELP O=C([C@@H]1CSC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254672 386506952 /nfs/dbraw/zinc/50/69/52/386506952.db2.gz QLMDFFRGABEQLP-QMMMGPOBSA-N 2 2 238.316 -0.112 10 0 BBAELP O=C([C@H]1CCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254695 386506328 /nfs/dbraw/zinc/50/63/28/386506328.db2.gz QMRUEGJHJRAEGM-SECBINFHSA-N 2 2 220.276 -0.023 10 0 BBAELP [NH3+]CCCC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254762 181371497 /nfs/dbraw/zinc/37/14/97/181371497.db2.gz DHHPUQCOLYKLMG-UHFFFAOYSA-N 2 2 208.265 -0.036 10 0 BBAELP CC[C@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254825 386577604 /nfs/dbraw/zinc/57/76/04/386577604.db2.gz NDBWLIBAECQYAO-QMMMGPOBSA-N 2 2 208.265 -0.037 10 0 BBAELP CC[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254827 385769968 /nfs/dbraw/zinc/76/99/68/385769968.db2.gz NDBWLIBAECQYAO-MRVPVSSYSA-N 2 2 208.265 -0.037 10 0 BBAELP O=C(C[NH2+]C1CC1)N1CCn2cc[nH+]c2C1 ZINC000062254830 384757748 /nfs/dbraw/zinc/75/77/48/384757748.db2.gz YBCPASLJJYJDBJ-UHFFFAOYSA-N 2 2 220.276 -0.023 10 0 BBAELP c1cn2c([nH+]1)CN(C[C@@H]1C[NH2+]CCO1)CC2 ZINC000062321699 487497607 /nfs/dbraw/zinc/49/76/07/487497607.db2.gz YVPXRPLQLPSGAA-JTQLQIEISA-N 2 2 222.292 -0.313 10 0 BBAELP c1cn2c([nH+]1)CN(C[C@H]1C[NH2+]CCO1)CC2 ZINC000062321702 487497650 /nfs/dbraw/zinc/49/76/50/487497650.db2.gz YVPXRPLQLPSGAA-SNVBAGLBSA-N 2 2 222.292 -0.313 10 0 BBAELP C[NH2+]CCS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000062326832 173357616 /nfs/dbraw/zinc/35/76/16/173357616.db2.gz WHORCHXEKXVQIP-UHFFFAOYSA-N 2 2 244.320 -0.752 10 0 BBAELP COC(=O)[C@@H]([NH3+])CCN1CC[NH+](C)CC1 ZINC000062440565 385173294 /nfs/dbraw/zinc/17/32/94/385173294.db2.gz MBDFQJHUGJMCAN-VIFPVBQESA-N 2 2 215.297 -0.876 10 0 BBAELP COC(=O)[C@H]([NH3+])CCN1CC[NH+](C)CC1 ZINC000062440567 398078651 /nfs/dbraw/zinc/07/86/51/398078651.db2.gz MBDFQJHUGJMCAN-SECBINFHSA-N 2 2 215.297 -0.876 10 0 BBAELP CC[NH2+][C@@H](CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000062440837 170144646 /nfs/dbraw/zinc/14/46/46/170144646.db2.gz OFHMTHFHWLFJTC-AXFHLTTASA-N 2 2 243.351 -0.051 10 0 BBAELP CC[NH2+][C@@H](CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000062440837 170144645 /nfs/dbraw/zinc/14/46/45/170144645.db2.gz OFHMTHFHWLFJTC-AXFHLTTASA-N 2 2 243.351 -0.051 10 0 BBAELP CC[NH2+][C@H](CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000062440838 170161635 /nfs/dbraw/zinc/16/16/35/170161635.db2.gz OFHMTHFHWLFJTC-OUAUKWLOSA-N 2 2 243.351 -0.051 10 0 BBAELP CC[NH2+][C@H](CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000062440838 170161633 /nfs/dbraw/zinc/16/16/33/170161633.db2.gz OFHMTHFHWLFJTC-OUAUKWLOSA-N 2 2 243.351 -0.051 10 0 BBAELP CC[NH2+][C@H](CC[NH+]1C[C@@H](C)O[C@H](C)C1)C(N)=O ZINC000062440843 170161789 /nfs/dbraw/zinc/16/17/89/170161789.db2.gz OFHMTHFHWLFJTC-GMTAPVOTSA-N 2 2 243.351 -0.051 10 0 BBAELP C[N@@H+](CC[C@H](N)C(N)=O)C1CC[NH+](C)CC1 ZINC000062443154 539016423 /nfs/dbraw/zinc/01/64/23/539016423.db2.gz NJFTWMVJNOAQEK-JTQLQIEISA-N 2 2 228.340 -0.785 10 0 BBAELP C[N@H+](CC[C@H](N)C(N)=O)C1CC[NH+](C)CC1 ZINC000062443154 539016422 /nfs/dbraw/zinc/01/64/22/539016422.db2.gz NJFTWMVJNOAQEK-JTQLQIEISA-N 2 2 228.340 -0.785 10 0 BBAELP C[N@@H+](CC[C@@H](N)C(N)=O)C1CC[NH+](C)CC1 ZINC000062443158 539016811 /nfs/dbraw/zinc/01/68/11/539016811.db2.gz NJFTWMVJNOAQEK-SNVBAGLBSA-N 2 2 228.340 -0.785 10 0 BBAELP C[N@H+](CC[C@@H](N)C(N)=O)C1CC[NH+](C)CC1 ZINC000062443158 539016810 /nfs/dbraw/zinc/01/68/10/539016810.db2.gz NJFTWMVJNOAQEK-SNVBAGLBSA-N 2 2 228.340 -0.785 10 0 BBAELP C[N@@H+](CC[C@H]([NH3+])C(=O)[O-])C1CC[NH+](C)CC1 ZINC000062443266 539016482 /nfs/dbraw/zinc/01/64/82/539016482.db2.gz DXSXNNDVCHRHAO-JTQLQIEISA-N 2 2 229.324 -0.186 10 0 BBAELP C[N@H+](CC[C@H]([NH3+])C(=O)[O-])C1CC[NH+](C)CC1 ZINC000062443266 539016480 /nfs/dbraw/zinc/01/64/80/539016480.db2.gz DXSXNNDVCHRHAO-JTQLQIEISA-N 2 2 229.324 -0.186 10 0 BBAELP C[N@@H+](CC[C@@H]([NH3+])C(=O)[O-])C1CC[NH+](C)CC1 ZINC000062443267 539016906 /nfs/dbraw/zinc/01/69/06/539016906.db2.gz DXSXNNDVCHRHAO-SNVBAGLBSA-N 2 2 229.324 -0.186 10 0 BBAELP C[N@H+](CC[C@@H]([NH3+])C(=O)[O-])C1CC[NH+](C)CC1 ZINC000062443267 539016905 /nfs/dbraw/zinc/01/69/05/539016905.db2.gz DXSXNNDVCHRHAO-SNVBAGLBSA-N 2 2 229.324 -0.186 10 0 BBAELP CC[NH2+][C@H](CC[N@H+]1C[C@H](C)OC[C@@H]1C)C(N)=O ZINC000062448254 170161751 /nfs/dbraw/zinc/16/17/51/170161751.db2.gz LNVVWBAUBFVTPJ-GARJFASQSA-N 2 2 243.351 -0.051 10 0 BBAELP CC[NH2+][C@H](CC[N@@H+]1C[C@H](C)OC[C@@H]1C)C(N)=O ZINC000062448254 170161750 /nfs/dbraw/zinc/16/17/50/170161750.db2.gz LNVVWBAUBFVTPJ-GARJFASQSA-N 2 2 243.351 -0.051 10 0 BBAELP CC[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1CCCO1)C(N)=O ZINC000062461877 170145468 /nfs/dbraw/zinc/14/54/68/170145468.db2.gz ZAPDSVBMIAPOIA-QWRGUYRKSA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@@H](CC[N@H+](C)C[C@@H]1CCCO1)C(N)=O ZINC000062461877 170145466 /nfs/dbraw/zinc/14/54/66/170145466.db2.gz ZAPDSVBMIAPOIA-QWRGUYRKSA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@H](CC[N@@H+](C)C[C@@H]1CCCO1)C(N)=O ZINC000062461882 170161765 /nfs/dbraw/zinc/16/17/65/170161765.db2.gz ZAPDSVBMIAPOIA-WDEREUQCSA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@H](CC[N@H+](C)C[C@@H]1CCCO1)C(N)=O ZINC000062461882 170161764 /nfs/dbraw/zinc/16/17/64/170161764.db2.gz ZAPDSVBMIAPOIA-WDEREUQCSA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@@H](CC[N@@H+](CCOC)C1CC1)C(N)=O ZINC000062462105 170144985 /nfs/dbraw/zinc/14/49/85/170144985.db2.gz BLKTYICMJJZANY-NSHDSACASA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@@H](CC[N@H+](CCOC)C1CC1)C(N)=O ZINC000062462105 170144983 /nfs/dbraw/zinc/14/49/83/170144983.db2.gz BLKTYICMJJZANY-NSHDSACASA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@H](CC[N@@H+](CCOC)C1CC1)C(N)=O ZINC000062462109 170161818 /nfs/dbraw/zinc/16/18/18/170161818.db2.gz BLKTYICMJJZANY-LLVKDONJSA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@H](CC[N@H+](CCOC)C1CC1)C(N)=O ZINC000062462109 170161817 /nfs/dbraw/zinc/16/18/17/170161817.db2.gz BLKTYICMJJZANY-LLVKDONJSA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@@H](CC[N@H+]1CCOCC1(C)C)C(N)=O ZINC000062463538 170144831 /nfs/dbraw/zinc/14/48/31/170144831.db2.gz SLIUMGYNFAXJFR-JTQLQIEISA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@@H](CC[N@@H+]1CCOCC1(C)C)C(N)=O ZINC000062463538 170144830 /nfs/dbraw/zinc/14/48/30/170144830.db2.gz SLIUMGYNFAXJFR-JTQLQIEISA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@H](CC[N@H+]1CCOCC1(C)C)C(N)=O ZINC000062463542 170161606 /nfs/dbraw/zinc/16/16/06/170161606.db2.gz SLIUMGYNFAXJFR-SNVBAGLBSA-N 2 2 243.351 -0.049 10 0 BBAELP CC[NH2+][C@H](CC[N@@H+]1CCOCC1(C)C)C(N)=O ZINC000062463542 170161604 /nfs/dbraw/zinc/16/16/04/170161604.db2.gz SLIUMGYNFAXJFR-SNVBAGLBSA-N 2 2 243.351 -0.049 10 0 BBAELP CC[C@@H]1CO[C@H](C)C[N@H+]1CC[C@H]([NH2+]C)C(N)=O ZINC000062523328 171112882 /nfs/dbraw/zinc/11/28/82/171112882.db2.gz MKAWXBMDWNZTCL-MXWKQRLJSA-N 2 2 243.351 -0.051 10 0 BBAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[C@H]([NH2+]C)C(N)=O ZINC000062523335 171111360 /nfs/dbraw/zinc/11/13/60/171111360.db2.gz MKAWXBMDWNZTCL-AXFHLTTASA-N 2 2 243.351 -0.051 10 0 BBAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC[C@H]([NH2+]C)C(N)=O ZINC000062523335 171111359 /nfs/dbraw/zinc/11/13/59/171111359.db2.gz MKAWXBMDWNZTCL-AXFHLTTASA-N 2 2 243.351 -0.051 10 0 BBAELP C[C@@H]1C[N@@H+](CC[C@H]([NH3+])C(N)=O)CC(C)(C)O1 ZINC000062527751 176293754 /nfs/dbraw/zinc/29/37/54/176293754.db2.gz QBZNGGKLENGKFY-BDAKNGLRSA-N 2 2 229.324 -0.312 10 0 BBAELP C[C@@H]1C[N@H+](CC[C@H]([NH3+])C(N)=O)CC(C)(C)O1 ZINC000062527751 176293753 /nfs/dbraw/zinc/29/37/53/176293753.db2.gz QBZNGGKLENGKFY-BDAKNGLRSA-N 2 2 229.324 -0.312 10 0 BBAELP C[C@H]1C[N@@H+](CC[C@H]([NH3+])C(N)=O)CC(C)(C)O1 ZINC000062527754 177254324 /nfs/dbraw/zinc/25/43/24/177254324.db2.gz QBZNGGKLENGKFY-IUCAKERBSA-N 2 2 229.324 -0.312 10 0 BBAELP C[C@H]1C[N@H+](CC[C@H]([NH3+])C(N)=O)CC(C)(C)O1 ZINC000062527754 177254323 /nfs/dbraw/zinc/25/43/23/177254323.db2.gz QBZNGGKLENGKFY-IUCAKERBSA-N 2 2 229.324 -0.312 10 0 BBAELP C[C@@H]1C[N@@H+](CC[C@H]([NH3+])C(N)=O)CCCO1 ZINC000062533155 176294244 /nfs/dbraw/zinc/29/42/44/176294244.db2.gz RRFWZXKXOJBLIQ-BDAKNGLRSA-N 2 2 215.297 -0.700 10 0 BBAELP C[C@@H]1C[N@H+](CC[C@H]([NH3+])C(N)=O)CCCO1 ZINC000062533155 176294242 /nfs/dbraw/zinc/29/42/42/176294242.db2.gz RRFWZXKXOJBLIQ-BDAKNGLRSA-N 2 2 215.297 -0.700 10 0 BBAELP C[C@H]1C[N@@H+](CC[C@H]([NH3+])C(N)=O)CCCO1 ZINC000062533156 177253697 /nfs/dbraw/zinc/25/36/97/177253697.db2.gz RRFWZXKXOJBLIQ-IUCAKERBSA-N 2 2 215.297 -0.700 10 0 BBAELP C[C@H]1C[N@H+](CC[C@H]([NH3+])C(N)=O)CCCO1 ZINC000062533156 177253696 /nfs/dbraw/zinc/25/36/96/177253696.db2.gz RRFWZXKXOJBLIQ-IUCAKERBSA-N 2 2 215.297 -0.700 10 0 BBAELP NC(=O)[C@H](CCn1cc[nH+]c1)[NH2+]C1CC1 ZINC000062534921 641057977 /nfs/dbraw/zinc/05/79/77/641057977.db2.gz HZATWEXEDZSWHB-VIFPVBQESA-N 2 2 208.265 -0.121 10 0 BBAELP NC(=O)[C@@H](CCn1cc[nH+]c1)[NH2+]C1CC1 ZINC000062534925 641058616 /nfs/dbraw/zinc/05/86/16/641058616.db2.gz HZATWEXEDZSWHB-SECBINFHSA-N 2 2 208.265 -0.121 10 0 BBAELP [NH3+]C1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000062767537 181344072 /nfs/dbraw/zinc/34/40/72/181344072.db2.gz LEMRWYGEHXNUER-UHFFFAOYSA-N 2 2 241.335 -0.295 10 0 BBAELP C[C@@H]1CN[C@H](C(=O)N2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000062815754 188302964 /nfs/dbraw/zinc/30/29/64/188302964.db2.gz YNKOKEYNQFWNBI-ZJUUUORDSA-N 2 2 249.318 -0.825 10 0 BBAELP C[C@@H]1CN[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000062815756 176330507 /nfs/dbraw/zinc/33/05/07/176330507.db2.gz YNKOKEYNQFWNBI-NXEZZACHSA-N 2 2 249.318 -0.825 10 0 BBAELP C[C@H]1CN[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000062815757 188303763 /nfs/dbraw/zinc/30/37/63/188303763.db2.gz YNKOKEYNQFWNBI-VHSXEESVSA-N 2 2 249.318 -0.825 10 0 BBAELP NC(=O)CN(Cc1c[nH]c[nH+]1)C1CC[NH2+]CC1 ZINC000062821801 181229059 /nfs/dbraw/zinc/22/90/59/181229059.db2.gz ZJZGYSPNTUDZOY-UHFFFAOYSA-N 2 2 237.307 -0.551 10 0 BBAELP NC(=O)CN(Cc1c[nH+]c[nH]1)C1CC[NH2+]CC1 ZINC000062821801 181229058 /nfs/dbraw/zinc/22/90/58/181229058.db2.gz ZJZGYSPNTUDZOY-UHFFFAOYSA-N 2 2 237.307 -0.551 10 0 BBAELP CCOC(=O)[C@](C)([NH3+])CN1CC[C@H]([NH+](C)C)C1 ZINC000062968757 170283588 /nfs/dbraw/zinc/28/35/88/170283588.db2.gz NEEQVWMILCGWLJ-CMPLNLGQSA-N 2 2 243.351 -0.097 10 0 BBAELP CCOC(=O)[C@@](C)([NH3+])CN1CC[C@H]([NH+](C)C)C1 ZINC000062968758 170260639 /nfs/dbraw/zinc/26/06/39/170260639.db2.gz NEEQVWMILCGWLJ-JQWIXIFHSA-N 2 2 243.351 -0.097 10 0 BBAELP CC[NH2+][C@@H](CN1CC[C@H]([NH+](C)C)C1)C(=O)OC ZINC000062968849 170144803 /nfs/dbraw/zinc/14/48/03/170144803.db2.gz FNOSDUALHHWBAB-QWRGUYRKSA-N 2 2 243.351 -0.227 10 0 BBAELP CC[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)C(=O)OC ZINC000062968850 170162594 /nfs/dbraw/zinc/16/25/94/170162594.db2.gz FNOSDUALHHWBAB-WDEREUQCSA-N 2 2 243.351 -0.227 10 0 BBAELP [NH3+]CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976525 181366519 /nfs/dbraw/zinc/36/65/19/181366519.db2.gz URAMCJYDOXKLSB-SNVBAGLBSA-N 2 2 227.308 -0.732 10 0 BBAELP [NH3+]CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976526 181367069 /nfs/dbraw/zinc/36/70/69/181367069.db2.gz URAMCJYDOXKLSB-JTQLQIEISA-N 2 2 227.308 -0.732 10 0 BBAELP C[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976547 488174669 /nfs/dbraw/zinc/17/46/69/488174669.db2.gz XONPKCCWNGTVPE-QWRGUYRKSA-N 2 2 241.335 -0.486 10 0 BBAELP C[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976548 411330552 /nfs/dbraw/zinc/33/05/52/411330552.db2.gz XONPKCCWNGTVPE-MNOVXSKESA-N 2 2 241.335 -0.486 10 0 BBAELP C[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976549 411330113 /nfs/dbraw/zinc/33/01/13/411330113.db2.gz XONPKCCWNGTVPE-WDEREUQCSA-N 2 2 241.335 -0.486 10 0 BBAELP C[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976550 411330297 /nfs/dbraw/zinc/33/02/97/411330297.db2.gz XONPKCCWNGTVPE-GHMZBOCLSA-N 2 2 241.335 -0.486 10 0 BBAELP CC(C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976687 411330498 /nfs/dbraw/zinc/33/04/98/411330498.db2.gz OWQCMVXQXJKLFW-JTQLQIEISA-N 2 2 241.335 -0.343 10 0 BBAELP CC(C)([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976688 411330243 /nfs/dbraw/zinc/33/02/43/411330243.db2.gz OWQCMVXQXJKLFW-SNVBAGLBSA-N 2 2 241.335 -0.343 10 0 BBAELP C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976701 411330641 /nfs/dbraw/zinc/33/06/41/411330641.db2.gz PZZWCIBFHLAIAS-UWVGGRQHSA-N 2 2 227.308 -0.733 10 0 BBAELP C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976702 411330411 /nfs/dbraw/zinc/33/04/11/411330411.db2.gz PZZWCIBFHLAIAS-VHSXEESVSA-N 2 2 227.308 -0.733 10 0 BBAELP C[NH2+]CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976743 173340298 /nfs/dbraw/zinc/34/02/98/173340298.db2.gz 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C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976859 411329932 /nfs/dbraw/zinc/32/99/32/411329932.db2.gz YVWOBMWTPORNAG-WDEREUQCSA-N 2 2 241.335 -0.343 10 0 BBAELP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976860 411330597 /nfs/dbraw/zinc/33/05/97/411330597.db2.gz YVWOBMWTPORNAG-GHMZBOCLSA-N 2 2 241.335 -0.343 10 0 BBAELP C[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976875 487507957 /nfs/dbraw/zinc/50/79/57/487507957.db2.gz HZTFGGNBUXUZFZ-QWRGUYRKSA-N 2 2 241.335 -0.473 10 0 BBAELP C[NH2+][C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976876 487508237 /nfs/dbraw/zinc/50/82/37/487508237.db2.gz HZTFGGNBUXUZFZ-MNOVXSKESA-N 2 2 241.335 -0.473 10 0 BBAELP C[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976877 487508000 /nfs/dbraw/zinc/50/80/00/487508000.db2.gz HZTFGGNBUXUZFZ-WDEREUQCSA-N 2 2 241.335 -0.473 10 0 BBAELP C[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976878 487507815 /nfs/dbraw/zinc/50/78/15/487507815.db2.gz 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ZINC000068940635 351298069 /nfs/dbraw/zinc/29/80/69/351298069.db2.gz VCQUJTYPDADBDN-MRVPVSSYSA-N 2 2 206.311 -0.498 10 0 BBAELP [NH3+]C[C@@]1([NH2+]C2CC2)CCCS(=O)(=O)C1 ZINC000068940645 351298044 /nfs/dbraw/zinc/29/80/44/351298044.db2.gz KHUSDOKWHSEWSH-VIFPVBQESA-N 2 2 218.322 -0.356 10 0 BBAELP [NH3+]C[C@]1([NH2+]C2CC2)CCCS(=O)(=O)C1 ZINC000068940647 351298323 /nfs/dbraw/zinc/29/83/23/351298323.db2.gz KHUSDOKWHSEWSH-SECBINFHSA-N 2 2 218.322 -0.356 10 0 BBAELP C[NH2+][C@](Cn1cc[nH+]c1)(C(N)=O)C1CC1 ZINC000068943065 537803536 /nfs/dbraw/zinc/80/35/36/537803536.db2.gz IWSVGMJNMHRFNL-JTQLQIEISA-N 2 2 208.265 -0.263 10 0 BBAELP C[NH2+][C@@](Cn1cc[nH+]c1)(C(N)=O)C1CC1 ZINC000068943067 537804738 /nfs/dbraw/zinc/80/47/38/537804738.db2.gz IWSVGMJNMHRFNL-SNVBAGLBSA-N 2 2 208.265 -0.263 10 0 BBAELP [NH3+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000070061682 384075762 /nfs/dbraw/zinc/07/57/62/384075762.db2.gz RWEVBTFNAVYGEI-JTQLQIEISA-N 2 2 227.308 -0.732 10 0 BBAELP [NH3+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000070061683 384074756 /nfs/dbraw/zinc/07/47/56/384074756.db2.gz RWEVBTFNAVYGEI-SNVBAGLBSA-N 2 2 227.308 -0.732 10 0 BBAELP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000070585695 343953013 /nfs/dbraw/zinc/95/30/13/343953013.db2.gz OZHNDMQTKVDBAI-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+][C@H]1CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000070585695 343953012 /nfs/dbraw/zinc/95/30/12/343953012.db2.gz OZHNDMQTKVDBAI-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000070585696 361574599 /nfs/dbraw/zinc/57/45/99/361574599.db2.gz OZHNDMQTKVDBAI-NXEZZACHSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000070585696 361574591 /nfs/dbraw/zinc/57/45/91/361574591.db2.gz OZHNDMQTKVDBAI-NXEZZACHSA-N 2 2 200.282 -0.175 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000070646737 350039328 /nfs/dbraw/zinc/03/93/28/350039328.db2.gz WXHXYAUMZJILCO-HTQZYQBOSA-N 2 2 208.265 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IUEZKOWFZUJPPH-JTQLQIEISA-N 2 2 200.282 -0.174 10 0 BBAELP [NH3+]C[C@]1([N@H+]2CCCOCC2)CCOC1 ZINC000070971013 374236526 /nfs/dbraw/zinc/23/65/26/374236526.db2.gz IUEZKOWFZUJPPH-SNVBAGLBSA-N 2 2 200.282 -0.174 10 0 BBAELP [NH3+]C[C@]1([N@@H+]2CCCOCC2)CCOC1 ZINC000070971013 374236520 /nfs/dbraw/zinc/23/65/20/374236520.db2.gz IUEZKOWFZUJPPH-SNVBAGLBSA-N 2 2 200.282 -0.174 10 0 BBAELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCOC2=O)C1 ZINC000071146755 173369476 /nfs/dbraw/zinc/36/94/76/173369476.db2.gz ISGMTAGSTOUZHE-VIFPVBQESA-N 2 2 241.291 -0.494 10 0 BBAELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCOC2=O)C1 ZINC000071146755 173369475 /nfs/dbraw/zinc/36/94/75/173369475.db2.gz ISGMTAGSTOUZHE-VIFPVBQESA-N 2 2 241.291 -0.494 10 0 BBAELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCOC2=O)C1 ZINC000071146757 173380467 /nfs/dbraw/zinc/38/04/67/173380467.db2.gz ISGMTAGSTOUZHE-SECBINFHSA-N 2 2 241.291 -0.494 10 0 BBAELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCOC2=O)C1 ZINC000071146757 173380466 /nfs/dbraw/zinc/38/04/66/173380466.db2.gz ISGMTAGSTOUZHE-SECBINFHSA-N 2 2 241.291 -0.494 10 0 BBAELP CCOC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146949 170240919 /nfs/dbraw/zinc/24/09/19/170240919.db2.gz KPQMRXOAOKKEMC-SECBINFHSA-N 2 2 243.307 -0.200 10 0 BBAELP CCOC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146949 170240917 /nfs/dbraw/zinc/24/09/17/170240917.db2.gz KPQMRXOAOKKEMC-SECBINFHSA-N 2 2 243.307 -0.200 10 0 BBAELP CCOC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146951 170240994 /nfs/dbraw/zinc/24/09/94/170240994.db2.gz KPQMRXOAOKKEMC-VIFPVBQESA-N 2 2 243.307 -0.200 10 0 BBAELP CCOC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146951 170240992 /nfs/dbraw/zinc/24/09/92/170240992.db2.gz KPQMRXOAOKKEMC-VIFPVBQESA-N 2 2 243.307 -0.200 10 0 BBAELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000071147489 173369856 /nfs/dbraw/zinc/36/98/56/173369856.db2.gz GQEHXLWADFDOIR-VIFPVBQESA-N 2 2 240.307 -0.921 10 0 BBAELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000071147489 173369855 /nfs/dbraw/zinc/36/98/55/173369855.db2.gz GQEHXLWADFDOIR-VIFPVBQESA-N 2 2 240.307 -0.921 10 0 BBAELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000071147491 173380865 /nfs/dbraw/zinc/38/08/65/173380865.db2.gz GQEHXLWADFDOIR-SECBINFHSA-N 2 2 240.307 -0.921 10 0 BBAELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000071147491 173380864 /nfs/dbraw/zinc/38/08/64/173380864.db2.gz GQEHXLWADFDOIR-SECBINFHSA-N 2 2 240.307 -0.921 10 0 BBAELP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCOC)C1 ZINC000071147602 173381311 /nfs/dbraw/zinc/38/13/11/173381311.db2.gz KHNUDHJPNYZOLH-WDEREUQCSA-N 2 2 243.351 -0.321 10 0 BBAELP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCOC)C1 ZINC000071147602 173381310 /nfs/dbraw/zinc/38/13/10/173381310.db2.gz KHNUDHJPNYZOLH-WDEREUQCSA-N 2 2 243.351 -0.321 10 0 BBAELP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NCCOC)C1 ZINC000071147605 173381850 /nfs/dbraw/zinc/38/18/50/173381850.db2.gz KHNUDHJPNYZOLH-GHMZBOCLSA-N 2 2 243.351 -0.321 10 0 BBAELP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCOC)C1 ZINC000071147605 173381848 /nfs/dbraw/zinc/38/18/48/173381848.db2.gz KHNUDHJPNYZOLH-GHMZBOCLSA-N 2 2 243.351 -0.321 10 0 BBAELP CC(C)OC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150096 167158887 /nfs/dbraw/zinc/15/88/87/167158887.db2.gz HPDIGPLWDKYERD-UHFFFAOYSA-N 2 2 243.351 -0.225 10 0 BBAELP CC(C)OC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150096 167158885 /nfs/dbraw/zinc/15/88/85/167158885.db2.gz HPDIGPLWDKYERD-UHFFFAOYSA-N 2 2 243.351 -0.225 10 0 BBAELP COCC[N@@H+](CCC[NH3+])CC(=O)NCC1CC1 ZINC000071224678 174290702 /nfs/dbraw/zinc/29/07/02/174290702.db2.gz UQFPBJBKXFCHCI-UHFFFAOYSA-N 2 2 243.351 -0.190 10 0 BBAELP COCC[N@H+](CCC[NH3+])CC(=O)NCC1CC1 ZINC000071224678 174290699 /nfs/dbraw/zinc/29/06/99/174290699.db2.gz UQFPBJBKXFCHCI-UHFFFAOYSA-N 2 2 243.351 -0.190 10 0 BBAELP COCC[N@@H+](CCC[NH3+])[C@@H](C)C(=O)NC1CC1 ZINC000071224848 174290478 /nfs/dbraw/zinc/29/04/78/174290478.db2.gz ABNVIFRCFREHMS-JTQLQIEISA-N 2 2 243.351 -0.049 10 0 BBAELP COCC[N@H+](CCC[NH3+])[C@@H](C)C(=O)NC1CC1 ZINC000071224848 174290477 /nfs/dbraw/zinc/29/04/77/174290477.db2.gz ABNVIFRCFREHMS-JTQLQIEISA-N 2 2 243.351 -0.049 10 0 BBAELP COCC[N@@H+](CCC[NH3+])[C@H](C)C(=O)NC1CC1 ZINC000071224850 174290551 /nfs/dbraw/zinc/29/05/51/174290551.db2.gz ABNVIFRCFREHMS-SNVBAGLBSA-N 2 2 243.351 -0.049 10 0 BBAELP COCC[N@H+](CCC[NH3+])[C@H](C)C(=O)NC1CC1 ZINC000071224850 174290549 /nfs/dbraw/zinc/29/05/49/174290549.db2.gz ABNVIFRCFREHMS-SNVBAGLBSA-N 2 2 243.351 -0.049 10 0 BBAELP COCC[N@@H+](CCC[NH3+])CC(=O)N1CCCC1 ZINC000071225072 174290850 /nfs/dbraw/zinc/29/08/50/174290850.db2.gz GNYDCEKHCZBMCL-UHFFFAOYSA-N 2 2 243.351 -0.094 10 0 BBAELP COCC[N@H+](CCC[NH3+])CC(=O)N1CCCC1 ZINC000071225072 174290849 /nfs/dbraw/zinc/29/08/49/174290849.db2.gz GNYDCEKHCZBMCL-UHFFFAOYSA-N 2 2 243.351 -0.094 10 0 BBAELP C[NH2+]C[C@@H]1C[N@@H+](CCCOC)CCO1 ZINC000071508483 173371621 /nfs/dbraw/zinc/37/16/21/173371621.db2.gz OSLCXGOAFNWEFL-SNVBAGLBSA-N 2 2 202.298 -0.057 10 0 BBAELP C[NH2+]C[C@@H]1C[N@H+](CCCOC)CCO1 ZINC000071508483 173371620 /nfs/dbraw/zinc/37/16/20/173371620.db2.gz OSLCXGOAFNWEFL-SNVBAGLBSA-N 2 2 202.298 -0.057 10 0 BBAELP C[NH2+]C[C@H]1C[N@@H+](CCCOC)CCO1 ZINC000071508484 173382666 /nfs/dbraw/zinc/38/26/66/173382666.db2.gz OSLCXGOAFNWEFL-JTQLQIEISA-N 2 2 202.298 -0.057 10 0 BBAELP C[NH2+]C[C@H]1C[N@H+](CCCOC)CCO1 ZINC000071508484 173382664 /nfs/dbraw/zinc/38/26/64/173382664.db2.gz OSLCXGOAFNWEFL-JTQLQIEISA-N 2 2 202.298 -0.057 10 0 BBAELP [NH3+]CCc1nnc(CC[NH+]2CCOCC2)[nH]1 ZINC000072236556 384842016 /nfs/dbraw/zinc/84/20/16/384842016.db2.gz UUFQOHYLDVMVAZ-UHFFFAOYSA-N 2 2 225.296 -0.819 10 0 BBAELP [NH3+]CCCc1nnc(CC[NH+]2CCOCC2)[nH]1 ZINC000072236592 181387151 /nfs/dbraw/zinc/38/71/51/181387151.db2.gz MRTSBNCFSYXHSY-UHFFFAOYSA-N 2 2 239.323 -0.429 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000074884835 359667666 /nfs/dbraw/zinc/66/76/66/359667666.db2.gz CFZMNIGQJBRZKR-BDAKNGLRSA-N 2 2 245.348 -0.904 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000074884835 359667664 /nfs/dbraw/zinc/66/76/64/359667664.db2.gz CFZMNIGQJBRZKR-BDAKNGLRSA-N 2 2 245.348 -0.904 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000074884836 359667605 /nfs/dbraw/zinc/66/76/05/359667605.db2.gz CFZMNIGQJBRZKR-IUCAKERBSA-N 2 2 245.348 -0.904 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000074884836 359667604 /nfs/dbraw/zinc/66/76/04/359667604.db2.gz CFZMNIGQJBRZKR-IUCAKERBSA-N 2 2 245.348 -0.904 10 0 BBAELP CC[NH+](CC)C[C@@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000076613260 169786037 /nfs/dbraw/zinc/78/60/37/169786037.db2.gz CWHMHUFHTIHWMW-GFCCVEGCSA-N 3 2 228.384 -0.097 10 0 BBAELP CCCN(CC[NH+]1CCOCC1)C(=O)C[NH3+] ZINC000076613558 169159635 /nfs/dbraw/zinc/15/96/35/169159635.db2.gz NBBDCRZVUNLABO-UHFFFAOYSA-N 2 2 229.324 -0.484 10 0 BBAELP [NH3+]CC1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000077341414 181358934 /nfs/dbraw/zinc/35/89/34/181358934.db2.gz UDIJNFCQXMVQIF-UHFFFAOYSA-N 2 2 227.308 -0.826 10 0 BBAELP C[C@H]1[NH2+]CCN(CC[NH+]2CCOCC2)C1=O ZINC000077341426 177397082 /nfs/dbraw/zinc/39/70/82/177397082.db2.gz NWNZVFCSBOIGOE-SNVBAGLBSA-N 2 2 227.308 -0.861 10 0 BBAELP C[NH2+][C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000077343903 325375788 /nfs/dbraw/zinc/37/57/88/325375788.db2.gz DCXBDVYDPVYMQX-SNVBAGLBSA-N 2 2 229.324 -0.615 10 0 BBAELP C[C@]1(C(=O)NCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000079510916 359721896 /nfs/dbraw/zinc/72/18/96/359721896.db2.gz RCWQFDWVHWWAPX-GFCCVEGCSA-N 2 2 241.335 -0.423 10 0 BBAELP C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]1 ZINC000079511689 351067881 /nfs/dbraw/zinc/06/78/81/351067881.db2.gz JUAVXKKKAMNFNC-GFCCVEGCSA-N 2 2 241.335 -0.735 10 0 BBAELP CC(C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000082431892 643312583 /nfs/dbraw/zinc/31/25/83/643312583.db2.gz AMGXLLWJTHVWOI-SECBINFHSA-N 2 2 214.313 -0.161 10 0 BBAELP CC(C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000082431892 643312580 /nfs/dbraw/zinc/31/25/80/643312580.db2.gz AMGXLLWJTHVWOI-SECBINFHSA-N 2 2 214.313 -0.161 10 0 BBAELP CC(C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000082431893 643313227 /nfs/dbraw/zinc/31/32/27/643313227.db2.gz AMGXLLWJTHVWOI-VIFPVBQESA-N 2 2 214.313 -0.161 10 0 BBAELP CC(C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000082431893 643313222 /nfs/dbraw/zinc/31/32/22/643313222.db2.gz AMGXLLWJTHVWOI-VIFPVBQESA-N 2 2 214.313 -0.161 10 0 BBAELP CCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000082431896 631405998 /nfs/dbraw/zinc/40/59/98/631405998.db2.gz HSSHSHDKTKYTDO-MRVPVSSYSA-N 2 2 200.286 -0.549 10 0 BBAELP CCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000082431896 631405992 /nfs/dbraw/zinc/40/59/92/631405992.db2.gz HSSHSHDKTKYTDO-MRVPVSSYSA-N 2 2 200.286 -0.549 10 0 BBAELP CCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000082431897 643313685 /nfs/dbraw/zinc/31/36/85/643313685.db2.gz HSSHSHDKTKYTDO-QMMMGPOBSA-N 2 2 200.286 -0.549 10 0 BBAELP CCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000082431897 643313680 /nfs/dbraw/zinc/31/36/80/643313680.db2.gz HSSHSHDKTKYTDO-QMMMGPOBSA-N 2 2 200.286 -0.549 10 0 BBAELP COCCC(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000082491397 583801193 /nfs/dbraw/zinc/80/11/93/583801193.db2.gz FUAKTXYBDUSOQW-UHFFFAOYSA-N 2 2 229.324 -0.438 10 0 BBAELP CCNC(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000082491431 583800962 /nfs/dbraw/zinc/80/09/62/583800962.db2.gz GNIVPUPLFCBUMM-UHFFFAOYSA-N 2 2 214.313 -0.271 10 0 BBAELP C[NH+]1CCN(c2nnc(C[NH3+])s2)CC1 ZINC000082533871 173096410 /nfs/dbraw/zinc/09/64/10/173096410.db2.gz NIQLYDYPZMYGBS-UHFFFAOYSA-N 2 2 213.310 -0.251 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000082559806 368694056 /nfs/dbraw/zinc/69/40/56/368694056.db2.gz JWNOLTNOYQCNFB-NXEZZACHSA-N 2 2 222.292 -0.145 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000082560174 384432259 /nfs/dbraw/zinc/43/22/59/384432259.db2.gz NDYQQLALAQRGCS-RKDXNWHRSA-N 2 2 222.292 -0.108 10 0 BBAELP CNC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000082638812 173284963 /nfs/dbraw/zinc/28/49/63/173284963.db2.gz ZEMYGAPHKOVFOI-UHFFFAOYSA-N 2 2 200.286 -0.708 10 0 BBAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC(C)(C)O ZINC000082669043 384257154 /nfs/dbraw/zinc/25/71/54/384257154.db2.gz NRDDOKNIZDEADB-SNVBAGLBSA-N 2 2 215.341 -0.407 10 0 BBAELP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC(C)(C)O ZINC000082669043 384257148 /nfs/dbraw/zinc/25/71/48/384257148.db2.gz NRDDOKNIZDEADB-SNVBAGLBSA-N 2 2 215.341 -0.407 10 0 BBAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC(C)(C)O ZINC000082669044 362097938 /nfs/dbraw/zinc/09/79/38/362097938.db2.gz NRDDOKNIZDEADB-JTQLQIEISA-N 2 2 215.341 -0.407 10 0 BBAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC(C)(C)O ZINC000082669044 362097936 /nfs/dbraw/zinc/09/79/36/362097936.db2.gz NRDDOKNIZDEADB-JTQLQIEISA-N 2 2 215.341 -0.407 10 0 BBAELP C[NH2+]Cc1c(NC(C)=O)[o+]nn1C1CC1 ZINC000083251484 173384679 /nfs/dbraw/zinc/38/46/79/173384679.db2.gz XVIZLUMQHOVIJQ-UHFFFAOYSA-O 2 2 211.245 -0.025 10 0 BBAELP O=C(NCC[NH+]1CCCC1)[C@@H]1COCC[NH2+]1 ZINC000083872453 487955151 /nfs/dbraw/zinc/95/51/51/487955151.db2.gz NQRVPJMMBCFADS-JTQLQIEISA-N 2 2 227.308 -0.813 10 0 BBAELP O=C(NCC[NH+]1CCCC1)[C@H]1COCC[NH2+]1 ZINC000083872454 487955421 /nfs/dbraw/zinc/95/54/21/487955421.db2.gz NQRVPJMMBCFADS-SNVBAGLBSA-N 2 2 227.308 -0.813 10 0 BBAELP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000083873074 487954985 /nfs/dbraw/zinc/95/49/85/487954985.db2.gz NNEZBPJBIFAYEP-UWVGGRQHSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000083873074 487954982 /nfs/dbraw/zinc/95/49/82/487954982.db2.gz NNEZBPJBIFAYEP-UWVGGRQHSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000083873076 487955026 /nfs/dbraw/zinc/95/50/26/487955026.db2.gz NNEZBPJBIFAYEP-ZJUUUORDSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000083873076 487955024 /nfs/dbraw/zinc/95/50/24/487955024.db2.gz NNEZBPJBIFAYEP-ZJUUUORDSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000083888794 487960187 /nfs/dbraw/zinc/96/01/87/487960187.db2.gz 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ZINC000085436136 387454310 /nfs/dbraw/zinc/45/43/10/387454310.db2.gz ARFGFHZUTOUQPO-NSHDSACASA-N 2 2 238.335 -0.210 10 0 BBAELP C[NH+]1CCC([N@@H+]2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000085436136 387454305 /nfs/dbraw/zinc/45/43/05/387454305.db2.gz ARFGFHZUTOUQPO-NSHDSACASA-N 2 2 238.335 -0.210 10 0 BBAELP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790045 368869563 /nfs/dbraw/zinc/86/95/63/368869563.db2.gz LAUYNDJLDNAMLB-DTWKUNHWSA-N 2 2 215.297 -0.972 10 0 BBAELP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790045 368869560 /nfs/dbraw/zinc/86/95/60/368869560.db2.gz LAUYNDJLDNAMLB-DTWKUNHWSA-N 2 2 215.297 -0.972 10 0 BBAELP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790047 368869400 /nfs/dbraw/zinc/86/94/00/368869400.db2.gz LAUYNDJLDNAMLB-RKDXNWHRSA-N 2 2 215.297 -0.972 10 0 BBAELP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790047 368869393 /nfs/dbraw/zinc/86/93/93/368869393.db2.gz LAUYNDJLDNAMLB-RKDXNWHRSA-N 2 2 215.297 -0.972 10 0 BBAELP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790050 368869630 /nfs/dbraw/zinc/86/96/30/368869630.db2.gz LAUYNDJLDNAMLB-IUCAKERBSA-N 2 2 215.297 -0.972 10 0 BBAELP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790050 368869626 /nfs/dbraw/zinc/86/96/26/368869626.db2.gz LAUYNDJLDNAMLB-IUCAKERBSA-N 2 2 215.297 -0.972 10 0 BBAELP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790052 368869527 /nfs/dbraw/zinc/86/95/27/368869527.db2.gz LAUYNDJLDNAMLB-BDAKNGLRSA-N 2 2 215.297 -0.972 10 0 BBAELP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790052 368869524 /nfs/dbraw/zinc/86/95/24/368869524.db2.gz LAUYNDJLDNAMLB-BDAKNGLRSA-N 2 2 215.297 -0.972 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000085790053 368869613 /nfs/dbraw/zinc/86/96/13/368869613.db2.gz WBDXLBBWNHWFFX-SECBINFHSA-N 2 2 229.324 -0.582 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000085790053 368869610 /nfs/dbraw/zinc/86/96/10/368869610.db2.gz WBDXLBBWNHWFFX-SECBINFHSA-N 2 2 229.324 -0.582 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000085790055 368869890 /nfs/dbraw/zinc/86/98/90/368869890.db2.gz WBDXLBBWNHWFFX-VIFPVBQESA-N 2 2 229.324 -0.582 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000085790055 368869882 /nfs/dbraw/zinc/86/98/82/368869882.db2.gz WBDXLBBWNHWFFX-VIFPVBQESA-N 2 2 229.324 -0.582 10 0 BBAELP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790574 357622555 /nfs/dbraw/zinc/62/25/55/357622555.db2.gz XJOVBBGOJVVKOK-NXEZZACHSA-N 2 2 229.324 -0.584 10 0 BBAELP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790574 357622553 /nfs/dbraw/zinc/62/25/53/357622553.db2.gz XJOVBBGOJVVKOK-NXEZZACHSA-N 2 2 229.324 -0.584 10 0 BBAELP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790579 357622604 /nfs/dbraw/zinc/62/26/04/357622604.db2.gz XJOVBBGOJVVKOK-VHSXEESVSA-N 2 2 229.324 -0.584 10 0 BBAELP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790579 357622599 /nfs/dbraw/zinc/62/25/99/357622599.db2.gz XJOVBBGOJVVKOK-VHSXEESVSA-N 2 2 229.324 -0.584 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000085790586 488205064 /nfs/dbraw/zinc/20/50/64/488205064.db2.gz KJVAIFKKCWJZCZ-SECBINFHSA-N 2 2 229.324 -0.439 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000085790586 488205060 /nfs/dbraw/zinc/20/50/60/488205060.db2.gz KJVAIFKKCWJZCZ-SECBINFHSA-N 2 2 229.324 -0.439 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000085790588 488204710 /nfs/dbraw/zinc/20/47/10/488204710.db2.gz KJVAIFKKCWJZCZ-VIFPVBQESA-N 2 2 229.324 -0.439 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000085790588 488204706 /nfs/dbraw/zinc/20/47/06/488204706.db2.gz KJVAIFKKCWJZCZ-VIFPVBQESA-N 2 2 229.324 -0.439 10 0 BBAELP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790598 368869590 /nfs/dbraw/zinc/86/95/90/368869590.db2.gz XVOFMJXRBHJEDB-RKDXNWHRSA-N 2 2 215.297 -0.830 10 0 BBAELP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790598 368869588 /nfs/dbraw/zinc/86/95/88/368869588.db2.gz XVOFMJXRBHJEDB-RKDXNWHRSA-N 2 2 215.297 -0.830 10 0 BBAELP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790600 368870076 /nfs/dbraw/zinc/87/00/76/368870076.db2.gz XVOFMJXRBHJEDB-DTWKUNHWSA-N 2 2 215.297 -0.830 10 0 BBAELP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790600 368870072 /nfs/dbraw/zinc/87/00/72/368870072.db2.gz XVOFMJXRBHJEDB-DTWKUNHWSA-N 2 2 215.297 -0.830 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)CCC[NH3+])C1 ZINC000085790625 368869796 /nfs/dbraw/zinc/86/97/96/368869796.db2.gz XEPAUCBLBDJSMT-SECBINFHSA-N 2 2 215.297 -0.828 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)CCC[NH3+])C1 ZINC000085790625 368869792 /nfs/dbraw/zinc/86/97/92/368869792.db2.gz XEPAUCBLBDJSMT-SECBINFHSA-N 2 2 215.297 -0.828 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000085790627 368869828 /nfs/dbraw/zinc/86/98/28/368869828.db2.gz XEPAUCBLBDJSMT-VIFPVBQESA-N 2 2 215.297 -0.828 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000085790627 368869819 /nfs/dbraw/zinc/86/98/19/368869819.db2.gz XEPAUCBLBDJSMT-VIFPVBQESA-N 2 2 215.297 -0.828 10 0 BBAELP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790637 488205112 /nfs/dbraw/zinc/20/51/12/488205112.db2.gz NEPFDUPCCBQKTQ-SNVBAGLBSA-N 2 2 229.324 -0.569 10 0 BBAELP CC(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790637 488205109 /nfs/dbraw/zinc/20/51/09/488205109.db2.gz NEPFDUPCCBQKTQ-SNVBAGLBSA-N 2 2 229.324 -0.569 10 0 BBAELP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790639 488204994 /nfs/dbraw/zinc/20/49/94/488204994.db2.gz NEPFDUPCCBQKTQ-JTQLQIEISA-N 2 2 229.324 -0.569 10 0 BBAELP CC(C)[NH2+]CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790639 488204992 /nfs/dbraw/zinc/20/49/92/488204992.db2.gz NEPFDUPCCBQKTQ-JTQLQIEISA-N 2 2 229.324 -0.569 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000085790641 134544202 /nfs/dbraw/zinc/54/42/02/134544202.db2.gz RSIVBBKYSADACM-ZJUUUORDSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000085790641 134544201 /nfs/dbraw/zinc/54/42/01/134544201.db2.gz RSIVBBKYSADACM-ZJUUUORDSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000085790642 357623360 /nfs/dbraw/zinc/62/33/60/357623360.db2.gz RSIVBBKYSADACM-UWVGGRQHSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000085790642 357623356 /nfs/dbraw/zinc/62/33/56/357623356.db2.gz RSIVBBKYSADACM-UWVGGRQHSA-N 2 2 227.308 -0.815 10 0 BBAELP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790646 368869763 /nfs/dbraw/zinc/86/97/63/368869763.db2.gz XVOFMJXRBHJEDB-BDAKNGLRSA-N 2 2 215.297 -0.830 10 0 BBAELP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790646 368869760 /nfs/dbraw/zinc/86/97/60/368869760.db2.gz XVOFMJXRBHJEDB-BDAKNGLRSA-N 2 2 215.297 -0.830 10 0 BBAELP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790647 368869351 /nfs/dbraw/zinc/86/93/51/368869351.db2.gz XVOFMJXRBHJEDB-IUCAKERBSA-N 2 2 215.297 -0.830 10 0 BBAELP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790647 368869344 /nfs/dbraw/zinc/86/93/44/368869344.db2.gz XVOFMJXRBHJEDB-IUCAKERBSA-N 2 2 215.297 -0.830 10 0 BBAELP C[NH2+]CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790649 357437442 /nfs/dbraw/zinc/43/74/42/357437442.db2.gz SMQDYAZLHQCQHJ-SECBINFHSA-N 2 2 215.297 -0.957 10 0 BBAELP C[NH2+]CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790649 357437436 /nfs/dbraw/zinc/43/74/36/357437436.db2.gz SMQDYAZLHQCQHJ-SECBINFHSA-N 2 2 215.297 -0.957 10 0 BBAELP C[NH2+]CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790652 357436878 /nfs/dbraw/zinc/43/68/78/357436878.db2.gz SMQDYAZLHQCQHJ-VIFPVBQESA-N 2 2 215.297 -0.957 10 0 BBAELP C[NH2+]CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790652 357436876 /nfs/dbraw/zinc/43/68/76/357436876.db2.gz SMQDYAZLHQCQHJ-VIFPVBQESA-N 2 2 215.297 -0.957 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790655 488205079 /nfs/dbraw/zinc/20/50/79/488205079.db2.gz PDGOZYUSENFNQX-DTWKUNHWSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790655 488205074 /nfs/dbraw/zinc/20/50/74/488205074.db2.gz PDGOZYUSENFNQX-DTWKUNHWSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790657 134543781 /nfs/dbraw/zinc/54/37/81/134543781.db2.gz PDGOZYUSENFNQX-RKDXNWHRSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790657 134543780 /nfs/dbraw/zinc/54/37/80/134543780.db2.gz PDGOZYUSENFNQX-RKDXNWHRSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790659 488204802 /nfs/dbraw/zinc/20/48/02/488204802.db2.gz PDGOZYUSENFNQX-IUCAKERBSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790659 488204799 /nfs/dbraw/zinc/20/47/99/488204799.db2.gz PDGOZYUSENFNQX-IUCAKERBSA-N 2 2 215.297 -0.830 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000085790665 357436941 /nfs/dbraw/zinc/43/69/41/357436941.db2.gz NEHNKBCQCYIEDV-NXEZZACHSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000085790665 357436936 /nfs/dbraw/zinc/43/69/36/357436936.db2.gz NEHNKBCQCYIEDV-NXEZZACHSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000085790668 357437581 /nfs/dbraw/zinc/43/75/81/357437581.db2.gz NEHNKBCQCYIEDV-ZJUUUORDSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000085790668 357437577 /nfs/dbraw/zinc/43/75/77/357437577.db2.gz NEHNKBCQCYIEDV-ZJUUUORDSA-N 2 2 227.308 -0.957 10 0 BBAELP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790676 357437775 /nfs/dbraw/zinc/43/77/75/357437775.db2.gz NTNMEESVUVQICO-DTWKUNHWSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790676 357437769 /nfs/dbraw/zinc/43/77/69/357437769.db2.gz NTNMEESVUVQICO-DTWKUNHWSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790677 357437732 /nfs/dbraw/zinc/43/77/32/357437732.db2.gz NTNMEESVUVQICO-RKDXNWHRSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790677 357437727 /nfs/dbraw/zinc/43/77/27/357437727.db2.gz NTNMEESVUVQICO-RKDXNWHRSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790679 357437629 /nfs/dbraw/zinc/43/76/29/357437629.db2.gz NTNMEESVUVQICO-IUCAKERBSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790679 357437625 /nfs/dbraw/zinc/43/76/25/357437625.db2.gz NTNMEESVUVQICO-IUCAKERBSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790681 357436921 /nfs/dbraw/zinc/43/69/21/357436921.db2.gz NTNMEESVUVQICO-BDAKNGLRSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790681 357436915 /nfs/dbraw/zinc/43/69/15/357436915.db2.gz NTNMEESVUVQICO-BDAKNGLRSA-N 2 2 215.297 -0.959 10 0 BBAELP C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790685 344209241 /nfs/dbraw/zinc/20/92/41/344209241.db2.gz XHINNHGBIWETAH-VHSXEESVSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@H]([NH3+])CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790685 344209239 /nfs/dbraw/zinc/20/92/39/344209239.db2.gz XHINNHGBIWETAH-VHSXEESVSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790687 357436767 /nfs/dbraw/zinc/43/67/67/357436767.db2.gz XHINNHGBIWETAH-NXEZZACHSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790687 357436762 /nfs/dbraw/zinc/43/67/62/357436762.db2.gz XHINNHGBIWETAH-NXEZZACHSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790690 357437261 /nfs/dbraw/zinc/43/72/61/357437261.db2.gz XHINNHGBIWETAH-UWVGGRQHSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@H]([NH3+])CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790690 357437256 /nfs/dbraw/zinc/43/72/56/357437256.db2.gz XHINNHGBIWETAH-UWVGGRQHSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790691 357437806 /nfs/dbraw/zinc/43/78/06/357437806.db2.gz XHINNHGBIWETAH-ZJUUUORDSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@@H]([NH3+])CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790691 357437802 /nfs/dbraw/zinc/43/78/02/357437802.db2.gz XHINNHGBIWETAH-ZJUUUORDSA-N 2 2 229.324 -0.439 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000085790693 388674202 /nfs/dbraw/zinc/67/42/02/388674202.db2.gz BILHPMUJBDAGLN-SNVBAGLBSA-N 2 2 229.324 -0.438 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000085790693 388674199 /nfs/dbraw/zinc/67/41/99/388674199.db2.gz BILHPMUJBDAGLN-SNVBAGLBSA-N 2 2 229.324 -0.438 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000085790695 388674155 /nfs/dbraw/zinc/67/41/55/388674155.db2.gz BILHPMUJBDAGLN-JTQLQIEISA-N 2 2 229.324 -0.438 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000085790695 388674152 /nfs/dbraw/zinc/67/41/52/388674152.db2.gz BILHPMUJBDAGLN-JTQLQIEISA-N 2 2 229.324 -0.438 10 0 BBAELP C[NH2+]CCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000085790707 388674403 /nfs/dbraw/zinc/67/44/03/388674403.db2.gz ZVRYKRONUWVYOM-SNVBAGLBSA-N 2 2 229.324 -0.567 10 0 BBAELP C[NH2+]CCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000085790707 388674402 /nfs/dbraw/zinc/67/44/02/388674402.db2.gz ZVRYKRONUWVYOM-SNVBAGLBSA-N 2 2 229.324 -0.567 10 0 BBAELP C[NH2+]CCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000085790710 388673930 /nfs/dbraw/zinc/67/39/30/388673930.db2.gz ZVRYKRONUWVYOM-JTQLQIEISA-N 2 2 229.324 -0.567 10 0 BBAELP C[NH2+]CCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790710 388673927 /nfs/dbraw/zinc/67/39/27/388673927.db2.gz ZVRYKRONUWVYOM-JTQLQIEISA-N 2 2 229.324 -0.567 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000085790712 357437401 /nfs/dbraw/zinc/43/74/01/357437401.db2.gz FCZMBZFXGLZFGA-SNVBAGLBSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000085790712 357437396 /nfs/dbraw/zinc/43/73/96/357437396.db2.gz FCZMBZFXGLZFGA-SNVBAGLBSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000085790714 357437227 /nfs/dbraw/zinc/43/72/27/357437227.db2.gz FCZMBZFXGLZFGA-JTQLQIEISA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000085790714 357437221 /nfs/dbraw/zinc/43/72/21/357437221.db2.gz FCZMBZFXGLZFGA-JTQLQIEISA-N 2 2 227.308 -0.815 10 0 BBAELP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000086070410 358212544 /nfs/dbraw/zinc/21/25/44/358212544.db2.gz AQBRRKSEMYFRIS-VHSXEESVSA-N 2 2 229.324 -0.711 10 0 BBAELP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000086070410 358212543 /nfs/dbraw/zinc/21/25/43/358212543.db2.gz AQBRRKSEMYFRIS-VHSXEESVSA-N 2 2 229.324 -0.711 10 0 BBAELP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000086070412 358212496 /nfs/dbraw/zinc/21/24/96/358212496.db2.gz AQBRRKSEMYFRIS-NXEZZACHSA-N 2 2 229.324 -0.711 10 0 BBAELP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000086070412 358212494 /nfs/dbraw/zinc/21/24/94/358212494.db2.gz AQBRRKSEMYFRIS-NXEZZACHSA-N 2 2 229.324 -0.711 10 0 BBAELP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000086070414 358212515 /nfs/dbraw/zinc/21/25/15/358212515.db2.gz AQBRRKSEMYFRIS-UWVGGRQHSA-N 2 2 229.324 -0.711 10 0 BBAELP C[NH2+]C[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000086070414 358212512 /nfs/dbraw/zinc/21/25/12/358212512.db2.gz AQBRRKSEMYFRIS-UWVGGRQHSA-N 2 2 229.324 -0.711 10 0 BBAELP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000086070417 538035052 /nfs/dbraw/zinc/03/50/52/538035052.db2.gz AQBRRKSEMYFRIS-ZJUUUORDSA-N 2 2 229.324 -0.711 10 0 BBAELP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000086070417 538035047 /nfs/dbraw/zinc/03/50/47/538035047.db2.gz AQBRRKSEMYFRIS-ZJUUUORDSA-N 2 2 229.324 -0.711 10 0 BBAELP O[C@@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000086331782 136280904 /nfs/dbraw/zinc/28/09/04/136280904.db2.gz TXHNOOCBCKCFEO-PHIMTYICSA-N 2 2 214.309 -0.490 10 0 BBAELP O[C@@H]1C[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1O ZINC000086331782 136280903 /nfs/dbraw/zinc/28/09/03/136280903.db2.gz TXHNOOCBCKCFEO-PHIMTYICSA-N 2 2 214.309 -0.490 10 0 BBAELP [NH3+]CCOCCN1CCn2cc[nH+]c2C1 ZINC000086435716 135084918 /nfs/dbraw/zinc/08/49/18/135084918.db2.gz MTPCKTKRZXRVFG-UHFFFAOYSA-N 2 2 210.281 -0.326 10 0 BBAELP O[C@H](C[NH2+]C1COC1)C[NH+]1CCCC1 ZINC000087195251 135111602 /nfs/dbraw/zinc/11/16/02/135111602.db2.gz ABHIJQZXDFYJBD-SNVBAGLBSA-N 2 2 200.282 -0.569 10 0 BBAELP O[C@@H](C[NH2+]C1COC1)C[NH+]1CCCC1 ZINC000087195252 135111501 /nfs/dbraw/zinc/11/15/01/135111501.db2.gz ABHIJQZXDFYJBD-JTQLQIEISA-N 2 2 200.282 -0.569 10 0 BBAELP CCNc1nc(-n2cc[nH+]c2)nc(NN)[nH+]1 ZINC000087904394 170176914 /nfs/dbraw/zinc/17/69/14/170176914.db2.gz AUIGEDNHRLKXMA-UHFFFAOYSA-N 2 2 220.240 -0.225 10 0 BBAELP CC[NH+]1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000088002465 343689402 /nfs/dbraw/zinc/68/94/02/343689402.db2.gz OYSFKGXAPBAOKO-SECBINFHSA-N 2 2 215.297 -0.876 10 0 BBAELP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000088002466 343689366 /nfs/dbraw/zinc/68/93/66/343689366.db2.gz OYSFKGXAPBAOKO-VIFPVBQESA-N 2 2 215.297 -0.876 10 0 BBAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000088002984 385918636 /nfs/dbraw/zinc/91/86/36/385918636.db2.gz ITABPJRYGLILMV-SNVBAGLBSA-N 2 2 229.324 -0.487 10 0 BBAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000088002985 385918519 /nfs/dbraw/zinc/91/85/19/385918519.db2.gz ITABPJRYGLILMV-JTQLQIEISA-N 2 2 229.324 -0.487 10 0 BBAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000088003359 136283559 /nfs/dbraw/zinc/28/35/59/136283559.db2.gz PCASANLBMDOCCW-JTQLQIEISA-N 2 2 227.308 -0.733 10 0 BBAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000088003360 536657456 /nfs/dbraw/zinc/65/74/56/536657456.db2.gz PCASANLBMDOCCW-SNVBAGLBSA-N 2 2 227.308 -0.733 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000088051491 362841163 /nfs/dbraw/zinc/84/11/63/362841163.db2.gz GIJMIUVKLFUUEI-SECBINFHSA-N 2 2 227.308 -0.685 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000088051491 362841158 /nfs/dbraw/zinc/84/11/58/362841158.db2.gz GIJMIUVKLFUUEI-SECBINFHSA-N 2 2 227.308 -0.685 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000088051492 362840871 /nfs/dbraw/zinc/84/08/71/362840871.db2.gz GIJMIUVKLFUUEI-VIFPVBQESA-N 2 2 227.308 -0.685 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000088051492 362840868 /nfs/dbraw/zinc/84/08/68/362840868.db2.gz GIJMIUVKLFUUEI-VIFPVBQESA-N 2 2 227.308 -0.685 10 0 BBAELP OC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000088094104 183126500 /nfs/dbraw/zinc/12/65/00/183126500.db2.gz UMVYPMIQVIEACG-NSHDSACASA-N 2 2 225.292 -0.034 10 0 BBAELP OC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000088094104 183126498 /nfs/dbraw/zinc/12/64/98/183126498.db2.gz UMVYPMIQVIEACG-NSHDSACASA-N 2 2 225.292 -0.034 10 0 BBAELP OC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000088094105 183154812 /nfs/dbraw/zinc/15/48/12/183154812.db2.gz UMVYPMIQVIEACG-LLVKDONJSA-N 2 2 225.292 -0.034 10 0 BBAELP OC[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000088094105 183154811 /nfs/dbraw/zinc/15/48/11/183154811.db2.gz UMVYPMIQVIEACG-LLVKDONJSA-N 2 2 225.292 -0.034 10 0 BBAELP OC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000088098925 343705508 /nfs/dbraw/zinc/70/55/08/343705508.db2.gz HKXGOMCVFJZYSH-QWRGUYRKSA-N 2 2 214.309 -0.321 10 0 BBAELP OC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000088098925 343705506 /nfs/dbraw/zinc/70/55/06/343705506.db2.gz HKXGOMCVFJZYSH-QWRGUYRKSA-N 2 2 214.309 -0.321 10 0 BBAELP OC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000088098927 343705425 /nfs/dbraw/zinc/70/54/25/343705425.db2.gz HKXGOMCVFJZYSH-MNOVXSKESA-N 2 2 214.309 -0.321 10 0 BBAELP OC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000088098927 343705422 /nfs/dbraw/zinc/70/54/22/343705422.db2.gz HKXGOMCVFJZYSH-MNOVXSKESA-N 2 2 214.309 -0.321 10 0 BBAELP [NH3+]C1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000088131017 487706630 /nfs/dbraw/zinc/70/66/30/487706630.db2.gz OFAYOIGEDDSSKY-SNVBAGLBSA-N 2 2 239.319 -0.589 10 0 BBAELP [NH3+]C1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000088131018 487706912 /nfs/dbraw/zinc/70/69/12/487706912.db2.gz OFAYOIGEDDSSKY-JTQLQIEISA-N 2 2 239.319 -0.589 10 0 BBAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088358097 487722035 /nfs/dbraw/zinc/72/20/35/487722035.db2.gz DOWDXHURQQREMU-UWVGGRQHSA-N 2 2 238.291 -0.624 10 0 BBAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088358098 487721862 /nfs/dbraw/zinc/72/18/62/487721862.db2.gz DOWDXHURQQREMU-ZJUUUORDSA-N 2 2 238.291 -0.624 10 0 BBAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088358099 359948594 /nfs/dbraw/zinc/94/85/94/359948594.db2.gz DOWDXHURQQREMU-VHSXEESVSA-N 2 2 238.291 -0.624 10 0 BBAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088358100 359948847 /nfs/dbraw/zinc/94/88/47/359948847.db2.gz 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C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091669429 369016390 /nfs/dbraw/zinc/01/63/90/369016390.db2.gz BDJKMSDDNYRHFA-OUAUKWLOSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000091669590 369016433 /nfs/dbraw/zinc/01/64/33/369016433.db2.gz PDAMVTVRMOWSPY-LLVKDONJSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000091669590 369016430 /nfs/dbraw/zinc/01/64/30/369016430.db2.gz PDAMVTVRMOWSPY-LLVKDONJSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000091669593 369016522 /nfs/dbraw/zinc/01/65/22/369016522.db2.gz PDAMVTVRMOWSPY-NSHDSACASA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000091669593 369016519 /nfs/dbraw/zinc/01/65/19/369016519.db2.gz PDAMVTVRMOWSPY-NSHDSACASA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000091669606 369016675 /nfs/dbraw/zinc/01/66/75/369016675.db2.gz 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ZINC000091669634 488058208 /nfs/dbraw/zinc/05/82/08/488058208.db2.gz IKHLXIZUEVCUFF-SNVBAGLBSA-N 2 2 243.351 -0.049 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000091669634 488058205 /nfs/dbraw/zinc/05/82/05/488058205.db2.gz IKHLXIZUEVCUFF-SNVBAGLBSA-N 2 2 243.351 -0.049 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000091669637 488058149 /nfs/dbraw/zinc/05/81/49/488058149.db2.gz IKHLXIZUEVCUFF-JTQLQIEISA-N 2 2 243.351 -0.049 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000091669637 488058148 /nfs/dbraw/zinc/05/81/48/488058148.db2.gz IKHLXIZUEVCUFF-JTQLQIEISA-N 2 2 243.351 -0.049 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000091669772 369016297 /nfs/dbraw/zinc/01/62/97/369016297.db2.gz LXNVPAMXTPRIGD-ZYHUDNBSSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000091669772 369016295 /nfs/dbraw/zinc/01/62/95/369016295.db2.gz LXNVPAMXTPRIGD-ZYHUDNBSSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000091669775 369016284 /nfs/dbraw/zinc/01/62/84/369016284.db2.gz LXNVPAMXTPRIGD-PWSUYJOCSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000091669775 369016282 /nfs/dbraw/zinc/01/62/82/369016282.db2.gz LXNVPAMXTPRIGD-PWSUYJOCSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000091669779 369016855 /nfs/dbraw/zinc/01/68/55/369016855.db2.gz LXNVPAMXTPRIGD-CMPLNLGQSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000091669779 369016848 /nfs/dbraw/zinc/01/68/48/369016848.db2.gz LXNVPAMXTPRIGD-CMPLNLGQSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000091669782 369016623 /nfs/dbraw/zinc/01/66/23/369016623.db2.gz LXNVPAMXTPRIGD-JQWIXIFHSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000091669782 369016614 /nfs/dbraw/zinc/01/66/14/369016614.db2.gz LXNVPAMXTPRIGD-JQWIXIFHSA-N 2 2 241.335 -0.425 10 0 BBAELP CCOC(=O)CNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092713971 520780810 /nfs/dbraw/zinc/78/08/10/520780810.db2.gz IVTAVWQYNFZRDH-UHFFFAOYSA-N 2 2 243.307 -0.911 10 0 BBAELP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000092957565 343150656 /nfs/dbraw/zinc/15/06/56/343150656.db2.gz QTXHGMAGHVLQAV-HBNTYKKESA-N 2 2 241.335 -0.569 10 0 BBAELP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000092957565 343150654 /nfs/dbraw/zinc/15/06/54/343150654.db2.gz QTXHGMAGHVLQAV-HBNTYKKESA-N 2 2 241.335 -0.569 10 0 BBAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000092957567 343150747 /nfs/dbraw/zinc/15/07/47/343150747.db2.gz QTXHGMAGHVLQAV-AXFHLTTASA-N 2 2 241.335 -0.569 10 0 BBAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000092957567 343150745 /nfs/dbraw/zinc/15/07/45/343150745.db2.gz QTXHGMAGHVLQAV-AXFHLTTASA-N 2 2 241.335 -0.569 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295749 487528746 /nfs/dbraw/zinc/52/87/46/487528746.db2.gz LAGDXAFBOBYJSN-SNVBAGLBSA-N 2 2 241.335 -0.295 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295749 487528743 /nfs/dbraw/zinc/52/87/43/487528743.db2.gz LAGDXAFBOBYJSN-SNVBAGLBSA-N 2 2 241.335 -0.295 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295750 487529239 /nfs/dbraw/zinc/52/92/39/487529239.db2.gz LAGDXAFBOBYJSN-JTQLQIEISA-N 2 2 241.335 -0.295 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295750 487529233 /nfs/dbraw/zinc/52/92/33/487529233.db2.gz LAGDXAFBOBYJSN-JTQLQIEISA-N 2 2 241.335 -0.295 10 0 BBAELP O=C(C[NH2+]C[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095072811 384344884 /nfs/dbraw/zinc/34/48/84/384344884.db2.gz NIPAIESRPDARKK-SECBINFHSA-N 2 2 220.276 -0.142 10 0 BBAELP O=C(C[NH2+]C[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095072812 384346299 /nfs/dbraw/zinc/34/62/99/384346299.db2.gz NIPAIESRPDARKK-VIFPVBQESA-N 2 2 220.276 -0.142 10 0 BBAELP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000097092498 386627638 /nfs/dbraw/zinc/62/76/38/386627638.db2.gz GXPHUZANMDAQLR-MNOVXSKESA-N 2 2 241.335 -0.438 10 0 BBAELP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000097092499 386628330 /nfs/dbraw/zinc/62/83/30/386628330.db2.gz GXPHUZANMDAQLR-GHMZBOCLSA-N 2 2 241.335 -0.438 10 0 BBAELP [NH3+][C@H]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000097092500 386626555 /nfs/dbraw/zinc/62/65/55/386626555.db2.gz GXPHUZANMDAQLR-QWRGUYRKSA-N 2 2 241.335 -0.438 10 0 BBAELP [NH3+][C@@H]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000097092501 386627008 /nfs/dbraw/zinc/62/70/08/386627008.db2.gz GXPHUZANMDAQLR-WDEREUQCSA-N 2 2 241.335 -0.438 10 0 BBAELP [NH3+]CC[NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000102668923 181396543 /nfs/dbraw/zinc/39/65/43/181396543.db2.gz FELNBDMOTGPYKR-VIFPVBQESA-N 2 2 225.292 -0.395 10 0 BBAELP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)NC2=O)CC1 ZINC000103344137 169189913 /nfs/dbraw/zinc/18/99/13/169189913.db2.gz BCQDJJJOKLBORN-JTQLQIEISA-N 2 2 239.319 -0.135 10 0 BBAELP CC(C)NC(=O)C[NH+]1CCN([C@@H](C)C[NH3+])CC1 ZINC000104071117 167051867 /nfs/dbraw/zinc/05/18/67/167051867.db2.gz UKYJLJDBINTRKK-NSHDSACASA-N 2 2 242.367 -0.524 10 0 BBAELP CC(C)NC(=O)C[NH+]1CCN([C@H](C)C[NH3+])CC1 ZINC000104071122 167051881 /nfs/dbraw/zinc/05/18/81/167051881.db2.gz UKYJLJDBINTRKK-LLVKDONJSA-N 2 2 242.367 -0.524 10 0 BBAELP CCC[C@@H](C[NH3+])N1CC[NH+](CC(=O)NC)CC1 ZINC000104071133 169383498 /nfs/dbraw/zinc/38/34/98/169383498.db2.gz RJOYWUODWJFIAS-NSHDSACASA-N 2 2 242.367 -0.523 10 0 BBAELP C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000104223826 176329476 /nfs/dbraw/zinc/32/94/76/176329476.db2.gz OCCPOQVOAZHHSN-MNOVXSKESA-N 2 2 241.335 -0.710 10 0 BBAELP C[C@H]1C[NH2+]C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000104223830 177285891 /nfs/dbraw/zinc/28/58/91/177285891.db2.gz OCCPOQVOAZHHSN-QWRGUYRKSA-N 2 2 241.335 -0.710 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000104223836 176330341 /nfs/dbraw/zinc/33/03/41/176330341.db2.gz OCCPOQVOAZHHSN-GHMZBOCLSA-N 2 2 241.335 -0.710 10 0 BBAELP C[C@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000104223838 187292412 /nfs/dbraw/zinc/29/24/12/187292412.db2.gz OCCPOQVOAZHHSN-WDEREUQCSA-N 2 2 241.335 -0.710 10 0 BBAELP C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC000104225667 176329137 /nfs/dbraw/zinc/32/91/37/176329137.db2.gz KIVRERYZTYZEKE-ZJUUUORDSA-N 2 2 236.319 -0.066 10 0 BBAELP C[C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC000104225669 177285983 /nfs/dbraw/zinc/28/59/83/177285983.db2.gz KIVRERYZTYZEKE-UWVGGRQHSA-N 2 2 236.319 -0.066 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC000104225671 176330336 /nfs/dbraw/zinc/33/03/36/176330336.db2.gz KIVRERYZTYZEKE-NXEZZACHSA-N 2 2 236.319 -0.066 10 0 BBAELP C[C@H]1C[NH2+]C[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC000104225674 187292091 /nfs/dbraw/zinc/29/20/91/187292091.db2.gz KIVRERYZTYZEKE-VHSXEESVSA-N 2 2 236.319 -0.066 10 0 BBAELP NC(=O)NC(=O)C[N@@H+](CC[NH3+])C1CCCCC1 ZINC000104303603 181391098 /nfs/dbraw/zinc/39/10/98/181391098.db2.gz VDHNUPVRQGFCAX-UHFFFAOYSA-N 2 2 242.323 -0.225 10 0 BBAELP NC(=O)NC(=O)C[N@H+](CC[NH3+])C1CCCCC1 ZINC000104303603 181391095 /nfs/dbraw/zinc/39/10/95/181391095.db2.gz VDHNUPVRQGFCAX-UHFFFAOYSA-N 2 2 242.323 -0.225 10 0 BBAELP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCO2)CCO1 ZINC000106878337 369208762 /nfs/dbraw/zinc/20/87/62/369208762.db2.gz UXBLAKGLNRUSJP-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCO2)CCO1 ZINC000106878337 369208757 /nfs/dbraw/zinc/20/87/57/369208757.db2.gz UXBLAKGLNRUSJP-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP OC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000107143307 487806510 /nfs/dbraw/zinc/80/65/10/487806510.db2.gz LQYDZLKGOAHQFX-ZJUUUORDSA-N 2 2 200.282 -0.711 10 0 BBAELP OC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000107143307 487806506 /nfs/dbraw/zinc/80/65/06/487806506.db2.gz LQYDZLKGOAHQFX-ZJUUUORDSA-N 2 2 200.282 -0.711 10 0 BBAELP OC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000107143311 487806493 /nfs/dbraw/zinc/80/64/93/487806493.db2.gz LQYDZLKGOAHQFX-UWVGGRQHSA-N 2 2 200.282 -0.711 10 0 BBAELP OC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000107143311 487806486 /nfs/dbraw/zinc/80/64/86/487806486.db2.gz LQYDZLKGOAHQFX-UWVGGRQHSA-N 2 2 200.282 -0.711 10 0 BBAELP OC[C@@H]1COCC[N@H+]1C1CC[NH2+]CC1 ZINC000107143368 343705789 /nfs/dbraw/zinc/70/57/89/343705789.db2.gz VBIFWHUCVBHPGH-SNVBAGLBSA-N 2 2 200.282 -0.569 10 0 BBAELP OC[C@@H]1COCC[N@@H+]1C1CC[NH2+]CC1 ZINC000107143368 343705787 /nfs/dbraw/zinc/70/57/87/343705787.db2.gz VBIFWHUCVBHPGH-SNVBAGLBSA-N 2 2 200.282 -0.569 10 0 BBAELP Cc1c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000122536062 343160348 /nfs/dbraw/zinc/16/03/48/343160348.db2.gz HKYHSDOIIHYLBA-LBPRGKRZSA-N 2 2 237.351 -0.197 10 0 BBAELP Cc1c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000122536062 343160347 /nfs/dbraw/zinc/16/03/47/343160347.db2.gz HKYHSDOIIHYLBA-LBPRGKRZSA-N 2 2 237.351 -0.197 10 0 BBAELP COc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000122822520 343161017 /nfs/dbraw/zinc/16/10/17/343161017.db2.gz DBHYARLVKLMGCY-SECBINFHSA-N 2 2 237.307 -0.436 10 0 BBAELP COc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000122822520 343161016 /nfs/dbraw/zinc/16/10/16/343161016.db2.gz DBHYARLVKLMGCY-SECBINFHSA-N 2 2 237.307 -0.436 10 0 BBAELP COc1ccnc(N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000122826056 343161127 /nfs/dbraw/zinc/16/11/27/343161127.db2.gz NCGGSOVIADEOJC-SECBINFHSA-N 2 2 237.307 -0.436 10 0 BBAELP COc1ccnc(N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000122826056 343161124 /nfs/dbraw/zinc/16/11/24/343161124.db2.gz NCGGSOVIADEOJC-SECBINFHSA-N 2 2 237.307 -0.436 10 0 BBAELP NC(=O)[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000129706761 343185057 /nfs/dbraw/zinc/18/50/57/343185057.db2.gz QHENPCIXHSMUTI-SNVBAGLBSA-N 2 2 227.308 -0.828 10 0 BBAELP NC(=O)[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000129706761 343185056 /nfs/dbraw/zinc/18/50/56/343185056.db2.gz QHENPCIXHSMUTI-SNVBAGLBSA-N 2 2 227.308 -0.828 10 0 BBAELP NC(=O)[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000129706994 343184715 /nfs/dbraw/zinc/18/47/15/343184715.db2.gz QHENPCIXHSMUTI-JTQLQIEISA-N 2 2 227.308 -0.828 10 0 BBAELP NC(=O)[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000129706994 343184713 /nfs/dbraw/zinc/18/47/13/343184713.db2.gz QHENPCIXHSMUTI-JTQLQIEISA-N 2 2 227.308 -0.828 10 0 BBAELP CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000130327189 487879079 /nfs/dbraw/zinc/87/90/79/487879079.db2.gz OJFVMVURCQIPCD-NXEZZACHSA-N 2 2 229.324 -0.439 10 0 BBAELP CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000130327406 411184558 /nfs/dbraw/zinc/18/45/58/411184558.db2.gz OJFVMVURCQIPCD-VHSXEESVSA-N 2 2 229.324 -0.439 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000132423764 343187880 /nfs/dbraw/zinc/18/78/80/343187880.db2.gz UGAWYCVWTQQHGH-GHMZBOCLSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000132423764 343187879 /nfs/dbraw/zinc/18/78/79/343187879.db2.gz UGAWYCVWTQQHGH-GHMZBOCLSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000132423991 343188248 /nfs/dbraw/zinc/18/82/48/343188248.db2.gz UGAWYCVWTQQHGH-WDEREUQCSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000132423991 343188246 /nfs/dbraw/zinc/18/82/46/343188246.db2.gz UGAWYCVWTQQHGH-WDEREUQCSA-N 2 2 241.335 -0.425 10 0 BBAELP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000133232109 173286124 /nfs/dbraw/zinc/28/61/24/173286124.db2.gz LZLJGGJIYAFWFM-QMMMGPOBSA-N 2 2 228.296 -0.745 10 0 BBAELP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000133232109 173286123 /nfs/dbraw/zinc/28/61/23/173286123.db2.gz LZLJGGJIYAFWFM-QMMMGPOBSA-N 2 2 228.296 -0.745 10 0 BBAELP [NH3+]C[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000133531572 386311390 /nfs/dbraw/zinc/31/13/90/386311390.db2.gz GMTHKUGIPLSWMN-VIFPVBQESA-N 2 2 225.292 -0.442 10 0 BBAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000133531572 386311386 /nfs/dbraw/zinc/31/13/86/386311386.db2.gz GMTHKUGIPLSWMN-VIFPVBQESA-N 2 2 225.292 -0.442 10 0 BBAELP COC(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000134159326 372170217 /nfs/dbraw/zinc/17/02/17/372170217.db2.gz ZDEOABJDTJUAJP-IUCAKERBSA-N 2 2 216.281 -0.403 10 0 BBAELP COC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000134159326 372170214 /nfs/dbraw/zinc/17/02/14/372170214.db2.gz ZDEOABJDTJUAJP-IUCAKERBSA-N 2 2 216.281 -0.403 10 0 BBAELP COC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000134159533 372169985 /nfs/dbraw/zinc/16/99/85/372169985.db2.gz ZDEOABJDTJUAJP-BDAKNGLRSA-N 2 2 216.281 -0.403 10 0 BBAELP COC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000134159533 372169981 /nfs/dbraw/zinc/16/99/81/372169981.db2.gz ZDEOABJDTJUAJP-BDAKNGLRSA-N 2 2 216.281 -0.403 10 0 BBAELP COC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000134159734 372170253 /nfs/dbraw/zinc/17/02/53/372170253.db2.gz ZDEOABJDTJUAJP-DTWKUNHWSA-N 2 2 216.281 -0.403 10 0 BBAELP COC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000134159734 372170246 /nfs/dbraw/zinc/17/02/46/372170246.db2.gz ZDEOABJDTJUAJP-DTWKUNHWSA-N 2 2 216.281 -0.403 10 0 BBAELP COC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000134159950 372169592 /nfs/dbraw/zinc/16/95/92/372169592.db2.gz ZDEOABJDTJUAJP-RKDXNWHRSA-N 2 2 216.281 -0.403 10 0 BBAELP COC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000134159950 372169588 /nfs/dbraw/zinc/16/95/88/372169588.db2.gz ZDEOABJDTJUAJP-RKDXNWHRSA-N 2 2 216.281 -0.403 10 0 BBAELP NC(=O)[C@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000134491118 343194477 /nfs/dbraw/zinc/19/44/77/343194477.db2.gz CNNKBYVOKQVWFV-LLVKDONJSA-N 2 2 241.335 -0.438 10 0 BBAELP NC(=O)[C@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000134491118 343194475 /nfs/dbraw/zinc/19/44/75/343194475.db2.gz CNNKBYVOKQVWFV-LLVKDONJSA-N 2 2 241.335 -0.438 10 0 BBAELP NC(=O)[C@@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000134491141 343194452 /nfs/dbraw/zinc/19/44/52/343194452.db2.gz CNNKBYVOKQVWFV-NSHDSACASA-N 2 2 241.335 -0.438 10 0 BBAELP NC(=O)[C@@H]1COCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000134491141 343194448 /nfs/dbraw/zinc/19/44/48/343194448.db2.gz CNNKBYVOKQVWFV-NSHDSACASA-N 2 2 241.335 -0.438 10 0 BBAELP C[N@@H+]([C@@H]1CCOC1)[C@]1(C[NH3+])CCOC1 ZINC000134655663 342875362 /nfs/dbraw/zinc/87/53/62/342875362.db2.gz JWOYYRXIMWWFNY-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@H+]([C@@H]1CCOC1)[C@]1(C[NH3+])CCOC1 ZINC000134655663 342875361 /nfs/dbraw/zinc/87/53/61/342875361.db2.gz JWOYYRXIMWWFNY-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@@H+]([C@H]1CCOC1)[C@]1(C[NH3+])CCOC1 ZINC000134655686 342875343 /nfs/dbraw/zinc/87/53/43/342875343.db2.gz JWOYYRXIMWWFNY-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@H+]([C@H]1CCOC1)[C@]1(C[NH3+])CCOC1 ZINC000134655686 342875341 /nfs/dbraw/zinc/87/53/41/342875341.db2.gz JWOYYRXIMWWFNY-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@@H+](C[C@]1([NH3+])CCOC1)[C@@H]1CCOC1 ZINC000134713461 342878876 /nfs/dbraw/zinc/87/88/76/342878876.db2.gz VIZWJANEFXDFTH-NXEZZACHSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@H+](C[C@]1([NH3+])CCOC1)[C@@H]1CCOC1 ZINC000134713461 342878875 /nfs/dbraw/zinc/87/88/75/342878875.db2.gz VIZWJANEFXDFTH-NXEZZACHSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@@H+](C[C@@]1([NH3+])CCOC1)[C@@H]1CCOC1 ZINC000134713483 342879082 /nfs/dbraw/zinc/87/90/82/342879082.db2.gz VIZWJANEFXDFTH-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@H+](C[C@@]1([NH3+])CCOC1)[C@@H]1CCOC1 ZINC000134713483 342879081 /nfs/dbraw/zinc/87/90/81/342879081.db2.gz VIZWJANEFXDFTH-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NCC[NH+]1CCOCC1 ZINC000136302830 487723316 /nfs/dbraw/zinc/72/33/16/487723316.db2.gz AYUDVYRSUBMOLN-LLVKDONJSA-N 2 2 243.351 -0.192 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NCC[NH+]1CCOCC1 ZINC000136302862 487723732 /nfs/dbraw/zinc/72/37/32/487723732.db2.gz AYUDVYRSUBMOLN-NSHDSACASA-N 2 2 243.351 -0.192 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000136483810 487737891 /nfs/dbraw/zinc/73/78/91/487737891.db2.gz JNSSNIGNIDVBPW-GHMZBOCLSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000136483810 487737887 /nfs/dbraw/zinc/73/78/87/487737887.db2.gz JNSSNIGNIDVBPW-GHMZBOCLSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000136483845 487737577 /nfs/dbraw/zinc/73/75/77/487737577.db2.gz JNSSNIGNIDVBPW-MNOVXSKESA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000136483845 487737573 /nfs/dbraw/zinc/73/75/73/487737573.db2.gz JNSSNIGNIDVBPW-MNOVXSKESA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000136483887 487737720 /nfs/dbraw/zinc/73/77/20/487737720.db2.gz JNSSNIGNIDVBPW-WDEREUQCSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000136483887 487737713 /nfs/dbraw/zinc/73/77/13/487737713.db2.gz JNSSNIGNIDVBPW-WDEREUQCSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000136483926 487737688 /nfs/dbraw/zinc/73/76/88/487737688.db2.gz JNSSNIGNIDVBPW-QWRGUYRKSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000136483926 487737682 /nfs/dbraw/zinc/73/76/82/487737682.db2.gz JNSSNIGNIDVBPW-QWRGUYRKSA-N 2 2 243.351 -0.193 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000137429841 592180726 /nfs/dbraw/zinc/18/07/26/592180726.db2.gz CFBCAJJKVXKWJM-MNOVXSKESA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000137429841 592180723 /nfs/dbraw/zinc/18/07/23/592180723.db2.gz CFBCAJJKVXKWJM-MNOVXSKESA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000137429906 592180406 /nfs/dbraw/zinc/18/04/06/592180406.db2.gz CFBCAJJKVXKWJM-QWRGUYRKSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000137429906 592180404 /nfs/dbraw/zinc/18/04/04/592180404.db2.gz CFBCAJJKVXKWJM-QWRGUYRKSA-N 2 2 241.335 -0.439 10 0 BBAELP C[NH+]1CCN(CCn2c[nH+]c(N)c2)CC1 ZINC000142727355 541504705 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CC[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000156329659 345149499 /nfs/dbraw/zinc/14/94/99/345149499.db2.gz MNOYFYZMOWYPFY-GHMZBOCLSA-N 2 2 243.351 -0.227 10 0 BBAELP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000156329761 345149290 /nfs/dbraw/zinc/14/92/90/345149290.db2.gz MNOYFYZMOWYPFY-QWRGUYRKSA-N 2 2 243.351 -0.227 10 0 BBAELP CC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000156329761 345149287 /nfs/dbraw/zinc/14/92/87/345149287.db2.gz MNOYFYZMOWYPFY-QWRGUYRKSA-N 2 2 243.351 -0.227 10 0 BBAELP CC[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000156329895 345149404 /nfs/dbraw/zinc/14/94/04/345149404.db2.gz MNOYFYZMOWYPFY-WDEREUQCSA-N 2 2 243.351 -0.227 10 0 BBAELP CC[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000156329895 345149401 /nfs/dbraw/zinc/14/94/01/345149401.db2.gz MNOYFYZMOWYPFY-WDEREUQCSA-N 2 2 243.351 -0.227 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000158826505 326344060 /nfs/dbraw/zinc/34/40/60/326344060.db2.gz 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C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000163731670 384352775 /nfs/dbraw/zinc/35/27/75/384352775.db2.gz OYURMBNWGMNWRW-GHMZBOCLSA-N 2 2 213.325 -0.260 10 0 BBAELP CC(C)NC(=O)N1CC[NH2+]C[C@@H]1C[NH3+] ZINC000164641845 346614314 /nfs/dbraw/zinc/61/43/14/346614314.db2.gz IHPHWJOZRHOGAU-QMMMGPOBSA-N 2 2 200.286 -0.663 10 0 BBAELP CC(C)NC(=O)N1CC[NH2+]C[C@H]1C[NH3+] ZINC000164641973 346614097 /nfs/dbraw/zinc/61/40/97/346614097.db2.gz IHPHWJOZRHOGAU-MRVPVSSYSA-N 2 2 200.286 -0.663 10 0 BBAELP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000165537950 388404584 /nfs/dbraw/zinc/40/45/84/388404584.db2.gz VUZSIGZYYDNLSE-LPEHRKFASA-N 2 2 229.324 -0.584 10 0 BBAELP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000165537950 388404581 /nfs/dbraw/zinc/40/45/81/388404581.db2.gz VUZSIGZYYDNLSE-LPEHRKFASA-N 2 2 229.324 -0.584 10 0 BBAELP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H](C)[NH3+] ZINC000165538138 388404960 /nfs/dbraw/zinc/40/49/60/388404960.db2.gz 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BBAELP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000193298517 644232344 /nfs/dbraw/zinc/23/23/44/644232344.db2.gz JNGVNEAQWQZEEZ-QWRGUYRKSA-N 2 2 243.351 -0.049 10 0 BBAELP C[C@H](CNC(=O)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000195156322 644363725 /nfs/dbraw/zinc/36/37/25/644363725.db2.gz MQGMHXGHEPLNLB-BDAKNGLRSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000195156329 644361998 /nfs/dbraw/zinc/36/19/98/644361998.db2.gz MQGMHXGHEPLNLB-IUCAKERBSA-N 2 2 215.297 -0.830 10 0 BBAELP c1cc(C2=[NH+]CCN2)nc(C2=[NH+]CCN2)c1 ZINC000205105081 183335505 /nfs/dbraw/zinc/33/55/05/183335505.db2.gz HDYHFKZHAZVLNM-UHFFFAOYSA-N 2 2 215.260 -0.219 10 0 BBAELP CC[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000208080941 346966560 /nfs/dbraw/zinc/96/65/60/346966560.db2.gz YORIUKFCQUTGCQ-LBPRGKRZSA-N 2 2 227.352 -0.046 10 0 BBAELP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000208080941 346966549 /nfs/dbraw/zinc/96/65/49/346966549.db2.gz YORIUKFCQUTGCQ-LBPRGKRZSA-N 2 2 227.352 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[NH3+]C[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCO1 ZINC000228999760 372103025 /nfs/dbraw/zinc/10/30/25/372103025.db2.gz DSQWMZSHXCSBFN-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP O=S1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000229174294 372124765 /nfs/dbraw/zinc/12/47/65/372124765.db2.gz MNGRRCJTILCBER-XQVHRTOBSA-N 2 2 202.323 -0.151 10 0 BBAELP O=S1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000229174303 372125614 /nfs/dbraw/zinc/12/56/14/372125614.db2.gz MNGRRCJTILCBER-JVVWGOMOSA-N 2 2 202.323 -0.151 10 0 BBAELP COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1c[nH+]cn1C ZINC000229212041 352650797 /nfs/dbraw/zinc/65/07/97/352650797.db2.gz NEFVEAQPFVEACB-JGVFFNPUSA-N 2 2 209.249 -0.104 10 0 BBAELP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1c[nH+]cn1C ZINC000229212055 352651128 /nfs/dbraw/zinc/65/11/28/352651128.db2.gz NEFVEAQPFVEACB-YUMQZZPRSA-N 2 2 209.249 -0.104 10 0 BBAELP COC(=O)[C@@H]1C[NH2+]C[C@H]1c1c[nH+]cn1C ZINC000229212070 352651112 /nfs/dbraw/zinc/65/11/12/352651112.db2.gz NEFVEAQPFVEACB-HTQZYQBOSA-N 2 2 209.249 -0.104 10 0 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2 202.298 -0.337 10 0 BBAELP CN(C)c1nc(NC[C@@H]2COCC[NH2+]2)cc[nH+]1 ZINC000234274166 487791690 /nfs/dbraw/zinc/79/16/90/487791690.db2.gz MOWXHYAOYHCLNC-SECBINFHSA-N 2 2 237.307 -0.057 10 0 BBAELP CN(C)c1nc(NC[C@H]2COCC[NH2+]2)cc[nH+]1 ZINC000234274397 487791708 /nfs/dbraw/zinc/79/17/08/487791708.db2.gz MOWXHYAOYHCLNC-VIFPVBQESA-N 2 2 237.307 -0.057 10 0 BBAELP C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000234417965 631513314 /nfs/dbraw/zinc/51/33/14/631513314.db2.gz UNNQCJIGTOTUQJ-VIFPVBQESA-N 2 2 210.281 -0.003 10 0 BBAELP C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC000234427442 631520840 /nfs/dbraw/zinc/52/08/40/631520840.db2.gz UNNQCJIGTOTUQJ-SECBINFHSA-N 2 2 210.281 -0.003 10 0 BBAELP COCCOCCOCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234647666 635556010 /nfs/dbraw/zinc/55/60/10/635556010.db2.gz AENWODUWSADKMJ-NEPJUHHUSA-N 2 2 246.351 -0.055 10 0 BBAELP COCCOCCOCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234647666 635556007 /nfs/dbraw/zinc/55/60/07/635556007.db2.gz AENWODUWSADKMJ-NEPJUHHUSA-N 2 2 246.351 -0.055 10 0 BBAELP COCCOCCOCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234647802 631656335 /nfs/dbraw/zinc/65/63/35/631656335.db2.gz AENWODUWSADKMJ-RYUDHWBXSA-N 2 2 246.351 -0.055 10 0 BBAELP COCCOCCOCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234647802 631656330 /nfs/dbraw/zinc/65/63/30/631656330.db2.gz AENWODUWSADKMJ-RYUDHWBXSA-N 2 2 246.351 -0.055 10 0 BBAELP CO[C@H]1CC[N@H+]([C@@]2(C[NH3+])CCOC2)C1 ZINC000234954850 350708018 /nfs/dbraw/zinc/70/80/18/350708018.db2.gz UIBICYSOXKVNHJ-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@H]1CC[N@@H+]([C@@]2(C[NH3+])CCOC2)C1 ZINC000234954850 350708016 /nfs/dbraw/zinc/70/80/16/350708016.db2.gz UIBICYSOXKVNHJ-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)[C@@H](C[NH3+])C1 ZINC000235277997 176168151 /nfs/dbraw/zinc/16/81/51/176168151.db2.gz VBRASGRZPCYBER-RKDXNWHRSA-N 2 2 242.323 -0.369 10 0 BBAELP C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)[C@@H](C[NH3+])C1 ZINC000235277997 176168150 /nfs/dbraw/zinc/16/81/50/176168150.db2.gz VBRASGRZPCYBER-RKDXNWHRSA-N 2 2 242.323 -0.369 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000235292324 343000707 /nfs/dbraw/zinc/00/07/07/343000707.db2.gz BWNYOMXSURHITP-OUAUKWLOSA-N 2 2 241.335 -0.711 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000235292324 343000705 /nfs/dbraw/zinc/00/07/05/343000705.db2.gz BWNYOMXSURHITP-OUAUKWLOSA-N 2 2 241.335 -0.711 10 0 BBAELP C[C@@H]1C[N@@H+](CCN2CCOCC2)C[C@@H]1[NH3+] ZINC000235365867 343011239 /nfs/dbraw/zinc/01/12/39/343011239.db2.gz SCMYAFFDLYGSDX-MNOVXSKESA-N 2 2 213.325 -0.402 10 0 BBAELP C[C@@H]1C[N@H+](CCN2CCOCC2)C[C@@H]1[NH3+] ZINC000235365867 343011238 /nfs/dbraw/zinc/01/12/38/343011238.db2.gz SCMYAFFDLYGSDX-MNOVXSKESA-N 2 2 213.325 -0.402 10 0 BBAELP C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000235365867 343011237 /nfs/dbraw/zinc/01/12/37/343011237.db2.gz SCMYAFFDLYGSDX-MNOVXSKESA-N 2 2 213.325 -0.402 10 0 BBAELP C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)[C@@H](C[NH3+])C1 ZINC000235596188 177158877 /nfs/dbraw/zinc/15/88/77/177158877.db2.gz VBRASGRZPCYBER-DTWKUNHWSA-N 2 2 242.323 -0.369 10 0 BBAELP C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)[C@@H](C[NH3+])C1 ZINC000235596188 177158875 /nfs/dbraw/zinc/15/88/75/177158875.db2.gz VBRASGRZPCYBER-DTWKUNHWSA-N 2 2 242.323 -0.369 10 0 BBAELP C[C@H]1C[N@@H+](CCN2CCOCC2)C[C@@H]1[NH3+] ZINC000235685400 343055288 /nfs/dbraw/zinc/05/52/88/343055288.db2.gz SCMYAFFDLYGSDX-QWRGUYRKSA-N 2 2 213.325 -0.402 10 0 BBAELP C[C@H]1C[N@H+](CCN2CCOCC2)C[C@@H]1[NH3+] ZINC000235685400 343055287 /nfs/dbraw/zinc/05/52/87/343055287.db2.gz SCMYAFFDLYGSDX-QWRGUYRKSA-N 2 2 213.325 -0.402 10 0 BBAELP C[C@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000235685400 343055286 /nfs/dbraw/zinc/05/52/86/343055286.db2.gz SCMYAFFDLYGSDX-QWRGUYRKSA-N 2 2 213.325 -0.402 10 0 BBAELP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000236807231 384573552 /nfs/dbraw/zinc/57/35/52/384573552.db2.gz ONESSPBDWKEXPE-NSHDSACASA-N 2 2 243.351 -0.096 10 0 BBAELP CCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000236865224 635527960 /nfs/dbraw/zinc/52/79/60/635527960.db2.gz PABZGCGTQGOTDN-MNOVXSKESA-N 2 2 243.351 -0.049 10 0 BBAELP CCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236873114 634533219 /nfs/dbraw/zinc/53/32/19/634533219.db2.gz PABZGCGTQGOTDN-QWRGUYRKSA-N 2 2 243.351 -0.049 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000236891561 169386655 /nfs/dbraw/zinc/38/66/55/169386655.db2.gz SLLUAXGOHSOXQM-LLVKDONJSA-N 2 2 243.351 -0.096 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000236909511 169388174 /nfs/dbraw/zinc/38/81/74/169388174.db2.gz ONESSPBDWKEXPE-LLVKDONJSA-N 2 2 243.351 -0.096 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000236952512 169389870 /nfs/dbraw/zinc/38/98/70/169389870.db2.gz PABZGCGTQGOTDN-GHMZBOCLSA-N 2 2 243.351 -0.049 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236958338 169389646 /nfs/dbraw/zinc/38/96/46/169389646.db2.gz PABZGCGTQGOTDN-WDEREUQCSA-N 2 2 243.351 -0.049 10 0 BBAELP CCC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000237035778 385255177 /nfs/dbraw/zinc/25/51/77/385255177.db2.gz SLLUAXGOHSOXQM-NSHDSACASA-N 2 2 243.351 -0.096 10 0 BBAELP C[NH2+]CCCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000237170227 173344456 /nfs/dbraw/zinc/34/44/56/173344456.db2.gz DLZATFBCVLJDDL-LLVKDONJSA-N 2 2 243.351 -0.177 10 0 BBAELP C[NH2+]CCCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000237175469 173344654 /nfs/dbraw/zinc/34/46/54/173344654.db2.gz DLZATFBCVLJDDL-NSHDSACASA-N 2 2 243.351 -0.177 10 0 BBAELP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000237202096 173362658 /nfs/dbraw/zinc/36/26/58/173362658.db2.gz SCAQNEYWQRRHGP-GHMZBOCLSA-N 2 2 243.351 -0.321 10 0 BBAELP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000237206682 173363543 /nfs/dbraw/zinc/36/35/43/173363543.db2.gz SCAQNEYWQRRHGP-MNOVXSKESA-N 2 2 243.351 -0.321 10 0 BBAELP C[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000237230406 173328756 /nfs/dbraw/zinc/32/87/56/173328756.db2.gz WRUMRUGCPICLMI-SECBINFHSA-N 2 2 215.297 -0.957 10 0 BBAELP C[NH2+]CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000237235710 173330988 /nfs/dbraw/zinc/33/09/88/173330988.db2.gz WRUMRUGCPICLMI-VIFPVBQESA-N 2 2 215.297 -0.957 10 0 BBAELP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000237322986 173374124 /nfs/dbraw/zinc/37/41/24/173374124.db2.gz SCAQNEYWQRRHGP-WDEREUQCSA-N 2 2 243.351 -0.321 10 0 BBAELP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000237326287 173374009 /nfs/dbraw/zinc/37/40/09/173374009.db2.gz SCAQNEYWQRRHGP-QWRGUYRKSA-N 2 2 243.351 -0.321 10 0 BBAELP C[C@H](CNC(=O)CCC[NH3+])[NH+]1CCOCC1 ZINC000237393172 636759124 /nfs/dbraw/zinc/75/91/24/636759124.db2.gz AIVYTMQQNQZYGA-SNVBAGLBSA-N 2 2 229.324 -0.438 10 0 BBAELP C[C@H](CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000237395614 636760302 /nfs/dbraw/zinc/76/03/02/636760302.db2.gz RQIXGBKKRKCLEN-SECBINFHSA-N 2 2 215.297 -0.828 10 0 BBAELP C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000237462059 636784796 /nfs/dbraw/zinc/78/47/96/636784796.db2.gz MQGMHXGHEPLNLB-RKDXNWHRSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000237463449 636785684 /nfs/dbraw/zinc/78/56/84/636785684.db2.gz MQGMHXGHEPLNLB-DTWKUNHWSA-N 2 2 215.297 -0.830 10 0 BBAELP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000237464093 487473721 /nfs/dbraw/zinc/47/37/21/487473721.db2.gz SCWDIFHJGFOKEF-GHMZBOCLSA-N 2 2 241.335 -0.425 10 0 BBAELP C[C@@H](CNC(=O)CCC[NH3+])[NH+]1CCOCC1 ZINC000237535322 636503080 /nfs/dbraw/zinc/50/30/80/636503080.db2.gz AIVYTMQQNQZYGA-JTQLQIEISA-N 2 2 229.324 -0.438 10 0 BBAELP C[C@@H](CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000237537332 642306957 /nfs/dbraw/zinc/30/69/57/642306957.db2.gz RQIXGBKKRKCLEN-VIFPVBQESA-N 2 2 215.297 -0.828 10 0 BBAELP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000237596099 490213915 /nfs/dbraw/zinc/21/39/15/490213915.db2.gz SCWDIFHJGFOKEF-WDEREUQCSA-N 2 2 241.335 -0.425 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000240529945 343259841 /nfs/dbraw/zinc/25/98/41/343259841.db2.gz CFZMNIGQJBRZKR-DTWKUNHWSA-N 2 2 245.348 -0.904 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000240529945 343259840 /nfs/dbraw/zinc/25/98/40/343259840.db2.gz CFZMNIGQJBRZKR-DTWKUNHWSA-N 2 2 245.348 -0.904 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000240529946 343259763 /nfs/dbraw/zinc/25/97/63/343259763.db2.gz CFZMNIGQJBRZKR-RKDXNWHRSA-N 2 2 245.348 -0.904 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000240529946 343259757 /nfs/dbraw/zinc/25/97/57/343259757.db2.gz CFZMNIGQJBRZKR-RKDXNWHRSA-N 2 2 245.348 -0.904 10 0 BBAELP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000246781992 359164148 /nfs/dbraw/zinc/16/41/48/359164148.db2.gz JADCVPWSOBRHMD-MNOVXSKESA-N 2 2 243.351 -0.539 10 0 BBAELP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000246781992 359164143 /nfs/dbraw/zinc/16/41/43/359164143.db2.gz JADCVPWSOBRHMD-MNOVXSKESA-N 2 2 243.351 -0.539 10 0 BBAELP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000246782012 359164132 /nfs/dbraw/zinc/16/41/32/359164132.db2.gz JADCVPWSOBRHMD-QWRGUYRKSA-N 2 2 243.351 -0.539 10 0 BBAELP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000246782012 359164128 /nfs/dbraw/zinc/16/41/28/359164128.db2.gz JADCVPWSOBRHMD-QWRGUYRKSA-N 2 2 243.351 -0.539 10 0 BBAELP C[C@@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000249065240 644711798 /nfs/dbraw/zinc/71/17/98/644711798.db2.gz PSPOUBWCXZBTML-AXFHLTTASA-N 2 2 243.351 -0.193 10 0 BBAELP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000249065243 176769448 /nfs/dbraw/zinc/76/94/48/176769448.db2.gz PSPOUBWCXZBTML-DCAQKATOSA-N 2 2 243.351 -0.193 10 0 BBAELP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000249065245 637071665 /nfs/dbraw/zinc/07/16/65/637071665.db2.gz PSPOUBWCXZBTML-MXWKQRLJSA-N 2 2 243.351 -0.193 10 0 BBAELP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000249065248 637071550 /nfs/dbraw/zinc/07/15/50/637071550.db2.gz PSPOUBWCXZBTML-VWYCJHECSA-N 2 2 243.351 -0.193 10 0 BBAELP C[N@H+]1CCN(C2CSC2)[C@@H](C[NH3+])C1 ZINC000250380860 362803080 /nfs/dbraw/zinc/80/30/80/362803080.db2.gz MAENHPWINZRVSM-QMMMGPOBSA-N 2 2 201.339 -0.324 10 0 BBAELP C[N@@H+]1CCN(C2CSC2)[C@@H](C[NH3+])C1 ZINC000250380860 362803077 /nfs/dbraw/zinc/80/30/77/362803077.db2.gz MAENHPWINZRVSM-QMMMGPOBSA-N 2 2 201.339 -0.324 10 0 BBAELP C[N@@H+](C[C@@]1([NH3+])CCOC1)[C@H]1CCOC1 ZINC000250449933 362804630 /nfs/dbraw/zinc/80/46/30/362804630.db2.gz VIZWJANEFXDFTH-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@H+](C[C@@]1([NH3+])CCOC1)[C@H]1CCOC1 ZINC000250449933 362804626 /nfs/dbraw/zinc/80/46/26/362804626.db2.gz VIZWJANEFXDFTH-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@@H+](C[C@]1([NH3+])CCOC1)[C@H]1CCOC1 ZINC000250449936 362805126 /nfs/dbraw/zinc/80/51/26/362805126.db2.gz VIZWJANEFXDFTH-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@H+](C[C@]1([NH3+])CCOC1)[C@H]1CCOC1 ZINC000250449936 362805122 /nfs/dbraw/zinc/80/51/22/362805122.db2.gz VIZWJANEFXDFTH-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000250614137 487735381 /nfs/dbraw/zinc/73/53/81/487735381.db2.gz NNEZBPJBIFAYEP-NXEZZACHSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000250614137 487735380 /nfs/dbraw/zinc/73/53/80/487735380.db2.gz NNEZBPJBIFAYEP-NXEZZACHSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000250614139 487735745 /nfs/dbraw/zinc/73/57/45/487735745.db2.gz NNEZBPJBIFAYEP-VHSXEESVSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000250614139 487735740 /nfs/dbraw/zinc/73/57/40/487735740.db2.gz NNEZBPJBIFAYEP-VHSXEESVSA-N 2 2 227.308 -0.815 10 0 BBAELP OC[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000250839871 487743128 /nfs/dbraw/zinc/74/31/28/487743128.db2.gz LQYDZLKGOAHQFX-NXEZZACHSA-N 2 2 200.282 -0.711 10 0 BBAELP OC[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000250839871 487743121 /nfs/dbraw/zinc/74/31/21/487743121.db2.gz LQYDZLKGOAHQFX-NXEZZACHSA-N 2 2 200.282 -0.711 10 0 BBAELP OC[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000250839873 487743332 /nfs/dbraw/zinc/74/33/32/487743332.db2.gz LQYDZLKGOAHQFX-VHSXEESVSA-N 2 2 200.282 -0.711 10 0 BBAELP OC[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000250839873 487743325 /nfs/dbraw/zinc/74/33/25/487743325.db2.gz LQYDZLKGOAHQFX-VHSXEESVSA-N 2 2 200.282 -0.711 10 0 BBAELP Cc1c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000250885813 349180591 /nfs/dbraw/zinc/18/05/91/349180591.db2.gz HKYHSDOIIHYLBA-GFCCVEGCSA-N 2 2 237.351 -0.197 10 0 BBAELP Cc1c(CN2CC[N@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000250885813 349180588 /nfs/dbraw/zinc/18/05/88/349180588.db2.gz HKYHSDOIIHYLBA-GFCCVEGCSA-N 2 2 237.351 -0.197 10 0 BBAELP C[C@H]([C@H](C)O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000251012968 362831427 /nfs/dbraw/zinc/83/14/27/362831427.db2.gz 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C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000252875791 350916606 /nfs/dbraw/zinc/91/66/06/350916606.db2.gz VUZSIGZYYDNLSE-GUBZILKMSA-N 2 2 229.324 -0.584 10 0 BBAELP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000252875791 350916604 /nfs/dbraw/zinc/91/66/04/350916604.db2.gz VUZSIGZYYDNLSE-GUBZILKMSA-N 2 2 229.324 -0.584 10 0 BBAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H](C)[NH3+] ZINC000252875792 349220895 /nfs/dbraw/zinc/22/08/95/349220895.db2.gz VUZSIGZYYDNLSE-UTLUCORTSA-N 2 2 229.324 -0.584 10 0 BBAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H](C)[NH3+] ZINC000252875792 349220891 /nfs/dbraw/zinc/22/08/91/349220891.db2.gz VUZSIGZYYDNLSE-UTLUCORTSA-N 2 2 229.324 -0.584 10 0 BBAELP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCOC2)CCO1 ZINC000253150132 368560886 /nfs/dbraw/zinc/56/08/86/368560886.db2.gz DSQWMZSHXCSBFN-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCCOC2)CCO1 ZINC000253150132 368560881 /nfs/dbraw/zinc/56/08/81/368560881.db2.gz DSQWMZSHXCSBFN-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP O=S1(=O)CC([NH2+]C2CC[NH2+]CC2)C1 ZINC000258169938 385549142 /nfs/dbraw/zinc/54/91/42/385549142.db2.gz UGCAOMIRPPANLF-UHFFFAOYSA-N 2 2 204.295 -0.875 10 0 BBAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cscn1 ZINC000261528463 135153274 /nfs/dbraw/zinc/15/32/74/135153274.db2.gz OKAKKHXOPXCTDD-APPZFPTMSA-N 2 2 213.306 -0.187 10 0 BBAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cscn1 ZINC000261528464 135153292 /nfs/dbraw/zinc/15/32/92/135153292.db2.gz OKAKKHXOPXCTDD-CBAPKCEASA-N 2 2 213.306 -0.187 10 0 BBAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cscn1 ZINC000261528465 135153499 /nfs/dbraw/zinc/15/34/99/135153499.db2.gz OKAKKHXOPXCTDD-IONNQARKSA-N 2 2 213.306 -0.187 10 0 BBAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cscn1 ZINC000261528466 135153606 /nfs/dbraw/zinc/15/36/06/135153606.db2.gz OKAKKHXOPXCTDD-VXNVDRBHSA-N 2 2 213.306 -0.187 10 0 BBAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cncs1 ZINC000261528941 135155037 /nfs/dbraw/zinc/15/50/37/135155037.db2.gz XFITYJLNJFHHCS-APPZFPTMSA-N 2 2 213.306 -0.187 10 0 BBAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cncs1 ZINC000261528942 135154804 /nfs/dbraw/zinc/15/48/04/135154804.db2.gz XFITYJLNJFHHCS-CBAPKCEASA-N 2 2 213.306 -0.187 10 0 BBAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cncs1 ZINC000261528943 135154905 /nfs/dbraw/zinc/15/49/05/135154905.db2.gz XFITYJLNJFHHCS-IONNQARKSA-N 2 2 213.306 -0.187 10 0 BBAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cncs1 ZINC000261528944 135155403 /nfs/dbraw/zinc/15/54/03/135155403.db2.gz XFITYJLNJFHHCS-VXNVDRBHSA-N 2 2 213.306 -0.187 10 0 BBAELP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000261534976 536374125 /nfs/dbraw/zinc/37/41/25/536374125.db2.gz VACLBIHHXFZLPJ-NXEZZACHSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000261534976 536374123 /nfs/dbraw/zinc/37/41/23/536374123.db2.gz VACLBIHHXFZLPJ-NXEZZACHSA-N 2 2 227.308 -0.815 10 0 BBAELP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000261534977 135168871 /nfs/dbraw/zinc/16/88/71/135168871.db2.gz VACLBIHHXFZLPJ-VHSXEESVSA-N 2 2 227.308 -0.815 10 0 BBAELP CC[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000261535222 535724037 /nfs/dbraw/zinc/72/40/37/535724037.db2.gz WSPGANQYFIHUKO-UHFFFAOYSA-N 2 2 225.296 -0.334 10 0 BBAELP CCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261537506 135174110 /nfs/dbraw/zinc/17/41/10/135174110.db2.gz VUSMJGMYEZFTHL-NXEZZACHSA-N 2 2 211.309 -0.336 10 0 BBAELP CCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261537506 135174109 /nfs/dbraw/zinc/17/41/09/135174109.db2.gz VUSMJGMYEZFTHL-NXEZZACHSA-N 2 2 211.309 -0.336 10 0 BBAELP CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261537507 135174044 /nfs/dbraw/zinc/17/40/44/135174044.db2.gz VUSMJGMYEZFTHL-UWVGGRQHSA-N 2 2 211.309 -0.336 10 0 BBAELP CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261537507 135174043 /nfs/dbraw/zinc/17/40/43/135174043.db2.gz VUSMJGMYEZFTHL-UWVGGRQHSA-N 2 2 211.309 -0.336 10 0 BBAELP CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261537608 135175070 /nfs/dbraw/zinc/17/50/70/135175070.db2.gz VUSMJGMYEZFTHL-VHSXEESVSA-N 2 2 211.309 -0.336 10 0 BBAELP CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261537608 135175069 /nfs/dbraw/zinc/17/50/69/135175069.db2.gz VUSMJGMYEZFTHL-VHSXEESVSA-N 2 2 211.309 -0.336 10 0 BBAELP CCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261537609 135174659 /nfs/dbraw/zinc/17/46/59/135174659.db2.gz VUSMJGMYEZFTHL-ZJUUUORDSA-N 2 2 211.309 -0.336 10 0 BBAELP CCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261537609 135174656 /nfs/dbraw/zinc/17/46/56/135174656.db2.gz VUSMJGMYEZFTHL-ZJUUUORDSA-N 2 2 211.309 -0.336 10 0 BBAELP C[C@@]1(C[N@H+]2CCO[C@@H](CO)C2)CC[NH2+]C1 ZINC000261540229 135179648 /nfs/dbraw/zinc/17/96/48/135179648.db2.gz DVJCWTVXXZLOAP-GHMZBOCLSA-N 2 2 214.309 -0.321 10 0 BBAELP C[C@@]1(C[N@@H+]2CCO[C@@H](CO)C2)CC[NH2+]C1 ZINC000261540229 135179647 /nfs/dbraw/zinc/17/96/47/135179647.db2.gz DVJCWTVXXZLOAP-GHMZBOCLSA-N 2 2 214.309 -0.321 10 0 BBAELP C[C@]1(C[N@H+]2CCO[C@@H](CO)C2)CC[NH2+]C1 ZINC000261540230 135179540 /nfs/dbraw/zinc/17/95/40/135179540.db2.gz DVJCWTVXXZLOAP-MNOVXSKESA-N 2 2 214.309 -0.321 10 0 BBAELP C[C@]1(C[N@@H+]2CCO[C@@H](CO)C2)CC[NH2+]C1 ZINC000261540230 135179539 /nfs/dbraw/zinc/17/95/39/135179539.db2.gz DVJCWTVXXZLOAP-MNOVXSKESA-N 2 2 214.309 -0.321 10 0 BBAELP C[C@]1(C[N@H+]2CCO[C@H](CO)C2)CC[NH2+]C1 ZINC000261540231 135179309 /nfs/dbraw/zinc/17/93/09/135179309.db2.gz DVJCWTVXXZLOAP-QWRGUYRKSA-N 2 2 214.309 -0.321 10 0 BBAELP C[C@]1(C[N@@H+]2CCO[C@H](CO)C2)CC[NH2+]C1 ZINC000261540231 135179308 /nfs/dbraw/zinc/17/93/08/135179308.db2.gz DVJCWTVXXZLOAP-QWRGUYRKSA-N 2 2 214.309 -0.321 10 0 BBAELP C[C@@]1(C[N@H+]2CCO[C@H](CO)C2)CC[NH2+]C1 ZINC000261540232 135179579 /nfs/dbraw/zinc/17/95/79/135179579.db2.gz DVJCWTVXXZLOAP-WDEREUQCSA-N 2 2 214.309 -0.321 10 0 BBAELP C[C@@]1(C[N@@H+]2CCO[C@H](CO)C2)CC[NH2+]C1 ZINC000261540232 135179578 /nfs/dbraw/zinc/17/95/78/135179578.db2.gz DVJCWTVXXZLOAP-WDEREUQCSA-N 2 2 214.309 -0.321 10 0 BBAELP [NH3+]Cc1nc(CN2CC[NH+](C3CC3)CC2)no1 ZINC000261543279 135184171 /nfs/dbraw/zinc/18/41/71/135184171.db2.gz SPNLJXKNMDDGGZ-UHFFFAOYSA-N 2 2 237.307 -0.192 10 0 BBAELP C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)[C@H](C[NH3+])C1 ZINC000261543800 135184960 /nfs/dbraw/zinc/18/49/60/135184960.db2.gz VBRASGRZPCYBER-IUCAKERBSA-N 2 2 242.323 -0.369 10 0 BBAELP C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)[C@H](C[NH3+])C1 ZINC000261543800 135184959 /nfs/dbraw/zinc/18/49/59/135184959.db2.gz VBRASGRZPCYBER-IUCAKERBSA-N 2 2 242.323 -0.369 10 0 BBAELP Cc1[nH+]ccn1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000261547881 135241124 /nfs/dbraw/zinc/24/11/24/135241124.db2.gz IULJPOKINUNURE-JTQLQIEISA-N 2 2 238.291 -0.704 10 0 BBAELP Cc1[nH+]ccn1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000261547882 135240794 /nfs/dbraw/zinc/24/07/94/135240794.db2.gz IULJPOKINUNURE-SNVBAGLBSA-N 2 2 238.291 -0.704 10 0 BBAELP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261549892 135189116 /nfs/dbraw/zinc/18/91/16/135189116.db2.gz KXNICPHGYVCRTR-MRVPVSSYSA-N 2 2 242.323 -0.499 10 0 BBAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261549892 135189115 /nfs/dbraw/zinc/18/91/15/135189115.db2.gz KXNICPHGYVCRTR-MRVPVSSYSA-N 2 2 242.323 -0.499 10 0 BBAELP CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261549893 135189135 /nfs/dbraw/zinc/18/91/35/135189135.db2.gz KXNICPHGYVCRTR-QMMMGPOBSA-N 2 2 242.323 -0.499 10 0 BBAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261549893 135189134 /nfs/dbraw/zinc/18/91/34/135189134.db2.gz KXNICPHGYVCRTR-QMMMGPOBSA-N 2 2 242.323 -0.499 10 0 BBAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccn1 ZINC000261558121 135198338 /nfs/dbraw/zinc/19/83/38/135198338.db2.gz XVPYBVCCOMZQPK-GXSJLCMTSA-N 2 2 207.277 -0.249 10 0 BBAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccn1 ZINC000261558122 135198788 /nfs/dbraw/zinc/19/87/88/135198788.db2.gz XVPYBVCCOMZQPK-KOLCDFICSA-N 2 2 207.277 -0.249 10 0 BBAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccn1 ZINC000261558123 135198310 /nfs/dbraw/zinc/19/83/10/135198310.db2.gz XVPYBVCCOMZQPK-MWLCHTKSSA-N 2 2 207.277 -0.249 10 0 BBAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccn1 ZINC000261558124 135198606 /nfs/dbraw/zinc/19/86/06/135198606.db2.gz XVPYBVCCOMZQPK-ONGXEEELSA-N 2 2 207.277 -0.249 10 0 BBAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562652 135204539 /nfs/dbraw/zinc/20/45/39/135204539.db2.gz WLZRAHQMCDKYEM-HTQZYQBOSA-N 2 2 242.323 -0.371 10 0 BBAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562652 135204537 /nfs/dbraw/zinc/20/45/37/135204537.db2.gz WLZRAHQMCDKYEM-HTQZYQBOSA-N 2 2 242.323 -0.371 10 0 BBAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562655 135204412 /nfs/dbraw/zinc/20/44/12/135204412.db2.gz WLZRAHQMCDKYEM-JGVFFNPUSA-N 2 2 242.323 -0.371 10 0 BBAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562655 135204410 /nfs/dbraw/zinc/20/44/10/135204410.db2.gz WLZRAHQMCDKYEM-JGVFFNPUSA-N 2 2 242.323 -0.371 10 0 BBAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562658 135204442 /nfs/dbraw/zinc/20/44/42/135204442.db2.gz WLZRAHQMCDKYEM-SFYZADRCSA-N 2 2 242.323 -0.371 10 0 BBAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562658 135204440 /nfs/dbraw/zinc/20/44/40/135204440.db2.gz WLZRAHQMCDKYEM-SFYZADRCSA-N 2 2 242.323 -0.371 10 0 BBAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562661 135204760 /nfs/dbraw/zinc/20/47/60/135204760.db2.gz WLZRAHQMCDKYEM-YUMQZZPRSA-N 2 2 242.323 -0.371 10 0 BBAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562661 135204759 /nfs/dbraw/zinc/20/47/59/135204759.db2.gz WLZRAHQMCDKYEM-YUMQZZPRSA-N 2 2 242.323 -0.371 10 0 BBAELP Cn1ncnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261582342 135223300 /nfs/dbraw/zinc/22/33/00/135223300.db2.gz OFMOVDXTFXAYEP-AEJSXWLSSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1ncnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261582342 135223299 /nfs/dbraw/zinc/22/32/99/135223299.db2.gz OFMOVDXTFXAYEP-AEJSXWLSSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1ncnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261582343 135223442 /nfs/dbraw/zinc/22/34/42/135223442.db2.gz OFMOVDXTFXAYEP-GUBZILKMSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1ncnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261582343 135223440 /nfs/dbraw/zinc/22/34/40/135223440.db2.gz OFMOVDXTFXAYEP-GUBZILKMSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1ncnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261582344 135223347 /nfs/dbraw/zinc/22/33/47/135223347.db2.gz OFMOVDXTFXAYEP-IVZWLZJFSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1ncnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261582344 135223345 /nfs/dbraw/zinc/22/33/45/135223345.db2.gz OFMOVDXTFXAYEP-IVZWLZJFSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1ncnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261582345 135223655 /nfs/dbraw/zinc/22/36/55/135223655.db2.gz OFMOVDXTFXAYEP-LPEHRKFASA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1ncnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261582345 135223654 /nfs/dbraw/zinc/22/36/54/135223654.db2.gz OFMOVDXTFXAYEP-LPEHRKFASA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000261584139 135225264 /nfs/dbraw/zinc/22/52/64/135225264.db2.gz PMEGOYUCLDPEAH-GDPRMGEGSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000261584139 135225263 /nfs/dbraw/zinc/22/52/63/135225263.db2.gz PMEGOYUCLDPEAH-GDPRMGEGSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000261584142 135225248 /nfs/dbraw/zinc/22/52/48/135225248.db2.gz PMEGOYUCLDPEAH-INTQDDNPSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000261584142 135225247 /nfs/dbraw/zinc/22/52/47/135225247.db2.gz PMEGOYUCLDPEAH-INTQDDNPSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000261584145 135225102 /nfs/dbraw/zinc/22/51/02/135225102.db2.gz PMEGOYUCLDPEAH-JMJZKYOTSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000261584145 135225101 /nfs/dbraw/zinc/22/51/01/135225101.db2.gz PMEGOYUCLDPEAH-JMJZKYOTSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000261584148 135224800 /nfs/dbraw/zinc/22/48/00/135224800.db2.gz PMEGOYUCLDPEAH-LSJOCFKGSA-N 2 2 221.308 -0.016 10 0 BBAELP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000261584148 135224798 /nfs/dbraw/zinc/22/47/98/135224798.db2.gz PMEGOYUCLDPEAH-LSJOCFKGSA-N 2 2 221.308 -0.016 10 0 BBAELP CC1(C)C[N@@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261724453 135248077 /nfs/dbraw/zinc/24/80/77/135248077.db2.gz NSONVGOLVMIHCS-SECBINFHSA-N 2 2 249.380 -0.405 10 0 BBAELP CC1(C)C[N@H+](CCNS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000261724453 135248076 /nfs/dbraw/zinc/24/80/76/135248076.db2.gz NSONVGOLVMIHCS-SECBINFHSA-N 2 2 249.380 -0.405 10 0 BBAELP CC1(C)C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261724455 135248542 /nfs/dbraw/zinc/24/85/42/135248542.db2.gz NSONVGOLVMIHCS-VIFPVBQESA-N 2 2 249.380 -0.405 10 0 BBAELP CC1(C)C[N@H+](CCNS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000261724455 135248540 /nfs/dbraw/zinc/24/85/40/135248540.db2.gz NSONVGOLVMIHCS-VIFPVBQESA-N 2 2 249.380 -0.405 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000261728363 135248194 /nfs/dbraw/zinc/24/81/94/135248194.db2.gz FRVLVTXNCQRCAO-GXSJLCMTSA-N 2 2 241.335 -0.297 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000261728363 135248193 /nfs/dbraw/zinc/24/81/93/135248193.db2.gz FRVLVTXNCQRCAO-GXSJLCMTSA-N 2 2 241.335 -0.297 10 0 BBAELP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000261728364 135248350 /nfs/dbraw/zinc/24/83/50/135248350.db2.gz FRVLVTXNCQRCAO-KOLCDFICSA-N 2 2 241.335 -0.297 10 0 BBAELP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000261728364 135248349 /nfs/dbraw/zinc/24/83/49/135248349.db2.gz FRVLVTXNCQRCAO-KOLCDFICSA-N 2 2 241.335 -0.297 10 0 BBAELP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000261728365 135248272 /nfs/dbraw/zinc/24/82/72/135248272.db2.gz FRVLVTXNCQRCAO-MWLCHTKSSA-N 2 2 241.335 -0.297 10 0 BBAELP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000261728365 135248271 /nfs/dbraw/zinc/24/82/71/135248271.db2.gz FRVLVTXNCQRCAO-MWLCHTKSSA-N 2 2 241.335 -0.297 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000261728366 135248269 /nfs/dbraw/zinc/24/82/69/135248269.db2.gz FRVLVTXNCQRCAO-ONGXEEELSA-N 2 2 241.335 -0.297 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000261728366 135248268 /nfs/dbraw/zinc/24/82/68/135248268.db2.gz FRVLVTXNCQRCAO-ONGXEEELSA-N 2 2 241.335 -0.297 10 0 BBAELP C[C@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000261785681 135252683 /nfs/dbraw/zinc/25/26/83/135252683.db2.gz CAGCLHVXHDKMRK-AEJSXWLSSA-N 2 2 227.308 -0.735 10 0 BBAELP C[C@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000261785681 135252682 /nfs/dbraw/zinc/25/26/82/135252682.db2.gz CAGCLHVXHDKMRK-AEJSXWLSSA-N 2 2 227.308 -0.735 10 0 BBAELP C[C@H]([NH3+])CC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000261785686 135252855 /nfs/dbraw/zinc/25/28/55/135252855.db2.gz CAGCLHVXHDKMRK-GUBZILKMSA-N 2 2 227.308 -0.735 10 0 BBAELP C[C@H]([NH3+])CC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000261785686 135252853 /nfs/dbraw/zinc/25/28/53/135252853.db2.gz CAGCLHVXHDKMRK-GUBZILKMSA-N 2 2 227.308 -0.735 10 0 BBAELP C[C@H]([NH3+])CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000261785691 135253046 /nfs/dbraw/zinc/25/30/46/135253046.db2.gz CAGCLHVXHDKMRK-IVZWLZJFSA-N 2 2 227.308 -0.735 10 0 BBAELP C[C@H]([NH3+])CC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000261785691 135253044 /nfs/dbraw/zinc/25/30/44/135253044.db2.gz CAGCLHVXHDKMRK-IVZWLZJFSA-N 2 2 227.308 -0.735 10 0 BBAELP C[C@H]([NH3+])CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000261785695 135252718 /nfs/dbraw/zinc/25/27/18/135252718.db2.gz CAGCLHVXHDKMRK-LPEHRKFASA-N 2 2 227.308 -0.735 10 0 BBAELP C[C@H]([NH3+])CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000261785695 135252716 /nfs/dbraw/zinc/25/27/16/135252716.db2.gz CAGCLHVXHDKMRK-LPEHRKFASA-N 2 2 227.308 -0.735 10 0 BBAELP CCC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000261825662 535170342 /nfs/dbraw/zinc/17/03/42/535170342.db2.gz KPCUNQLZYVCQBM-LLVKDONJSA-N 2 2 243.351 -0.177 10 0 BBAELP C[C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000261863209 135257958 /nfs/dbraw/zinc/25/79/58/135257958.db2.gz PYDJKRARHXJPPO-NXEZZACHSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@H]([NH3+])CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000261863212 135258083 /nfs/dbraw/zinc/25/80/83/135258083.db2.gz PYDJKRARHXJPPO-UWVGGRQHSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@H](CNC(=O)C[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000261863214 135258460 /nfs/dbraw/zinc/25/84/60/135258460.db2.gz PYDJKRARHXJPPO-VHSXEESVSA-N 2 2 229.324 -0.439 10 0 BBAELP C[C@@H]([NH3+])CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000261863217 135257885 /nfs/dbraw/zinc/25/78/85/135257885.db2.gz PYDJKRARHXJPPO-ZJUUUORDSA-N 2 2 229.324 -0.439 10 0 BBAELP CC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000261894444 135261075 /nfs/dbraw/zinc/26/10/75/135261075.db2.gz GZFPAMWXKUGQHI-MNOVXSKESA-N 2 2 241.335 -0.473 10 0 BBAELP C[N@H+]1CCO[C@H](CNC2=[NH+]CCCN2)C1 ZINC000261962089 135267020 /nfs/dbraw/zinc/26/70/20/135267020.db2.gz KKJQCFKAPNOWIV-SECBINFHSA-N 2 2 212.297 -0.744 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC2=[NH+]CCCN2)C1 ZINC000261962089 135267019 /nfs/dbraw/zinc/26/70/19/135267019.db2.gz KKJQCFKAPNOWIV-SECBINFHSA-N 2 2 212.297 -0.744 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000261962090 536435963 /nfs/dbraw/zinc/43/59/63/536435963.db2.gz KKJQCFKAPNOWIV-VIFPVBQESA-N 2 2 212.297 -0.744 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000261962090 536435959 /nfs/dbraw/zinc/43/59/59/536435959.db2.gz KKJQCFKAPNOWIV-VIFPVBQESA-N 2 2 212.297 -0.744 10 0 BBAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000262103794 135278308 /nfs/dbraw/zinc/27/83/08/135278308.db2.gz DZDSULWACQGBFJ-APPZFPTMSA-N 2 2 224.264 -0.597 10 0 BBAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000262134965 135281124 /nfs/dbraw/zinc/28/11/24/135281124.db2.gz GSPXNGZCAVYAAR-ZJUUUORDSA-N 2 2 227.308 -0.863 10 0 BBAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000262189007 135284528 /nfs/dbraw/zinc/28/45/28/135284528.db2.gz YGSVJGXMOGAOFO-APPZFPTMSA-N 2 2 246.261 -0.052 10 0 BBAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000262190318 135284765 /nfs/dbraw/zinc/28/47/65/135284765.db2.gz YGSVJGXMOGAOFO-CBAPKCEASA-N 2 2 246.261 -0.052 10 0 BBAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000262190320 135284485 /nfs/dbraw/zinc/28/44/85/135284485.db2.gz YGSVJGXMOGAOFO-IONNQARKSA-N 2 2 246.261 -0.052 10 0 BBAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000262190322 135285020 /nfs/dbraw/zinc/28/50/20/135285020.db2.gz YGSVJGXMOGAOFO-VXNVDRBHSA-N 2 2 246.261 -0.052 10 0 BBAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262210288 536658085 /nfs/dbraw/zinc/65/80/85/536658085.db2.gz LLHSFQKAVQCEPY-LLVKDONJSA-N 2 2 241.335 -0.343 10 0 BBAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262210290 135290475 /nfs/dbraw/zinc/29/04/75/135290475.db2.gz LLHSFQKAVQCEPY-NSHDSACASA-N 2 2 241.335 -0.343 10 0 BBAELP C[NH2+]CCC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000262350353 135294661 /nfs/dbraw/zinc/29/46/61/135294661.db2.gz IWLZFVDLFRUBEY-JTQLQIEISA-N 2 2 229.324 -0.567 10 0 BBAELP C[NH2+]CCC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000262350355 135294704 /nfs/dbraw/zinc/29/47/04/135294704.db2.gz IWLZFVDLFRUBEY-SNVBAGLBSA-N 2 2 229.324 -0.567 10 0 BBAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000262365852 135296808 /nfs/dbraw/zinc/29/68/08/135296808.db2.gz VPKFMQGFKXLCEP-MNOVXSKESA-N 2 2 241.335 -0.473 10 0 BBAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000262365852 135296806 /nfs/dbraw/zinc/29/68/06/135296806.db2.gz VPKFMQGFKXLCEP-MNOVXSKESA-N 2 2 241.335 -0.473 10 0 BBAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000262374025 135298116 /nfs/dbraw/zinc/29/81/16/135298116.db2.gz WLALLQMHRWBKIR-SCZZXKLOSA-N 2 2 238.291 -0.555 10 0 BBAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000262382229 135297422 /nfs/dbraw/zinc/29/74/22/135297422.db2.gz XCGIQITZTZHRSO-SCZZXKLOSA-N 2 2 238.291 -0.587 10 0 BBAELP COC[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262384341 135298485 /nfs/dbraw/zinc/29/84/85/135298485.db2.gz YFXZZZYDGLYQDH-JTQLQIEISA-N 2 2 248.286 -0.076 10 0 BBAELP COC[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262384343 536663434 /nfs/dbraw/zinc/66/34/34/536663434.db2.gz YFXZZZYDGLYQDH-SNVBAGLBSA-N 2 2 248.286 -0.076 10 0 BBAELP C[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000262444594 135299760 /nfs/dbraw/zinc/29/97/60/135299760.db2.gz VGQIJOTYJLAXKK-NXEZZACHSA-N 2 2 229.324 -0.582 10 0 BBAELP C[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000262444597 135299741 /nfs/dbraw/zinc/29/97/41/135299741.db2.gz VGQIJOTYJLAXKK-UWVGGRQHSA-N 2 2 229.324 -0.582 10 0 BBAELP C[C@H](CNC(=O)[C@@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000262444601 135299556 /nfs/dbraw/zinc/29/95/56/135299556.db2.gz VGQIJOTYJLAXKK-VHSXEESVSA-N 2 2 229.324 -0.582 10 0 BBAELP C[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000262444604 135299852 /nfs/dbraw/zinc/29/98/52/135299852.db2.gz VGQIJOTYJLAXKK-ZJUUUORDSA-N 2 2 229.324 -0.582 10 0 BBAELP [NH3+]CC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000263058703 135329575 /nfs/dbraw/zinc/32/95/75/135329575.db2.gz VCUZISPPSVLAHY-JTQLQIEISA-N 2 2 209.297 -0.051 10 0 BBAELP [NH3+]CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000263058703 135329573 /nfs/dbraw/zinc/32/95/73/135329573.db2.gz VCUZISPPSVLAHY-JTQLQIEISA-N 2 2 209.297 -0.051 10 0 BBAELP [NH3+]CC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000263058705 135329808 /nfs/dbraw/zinc/32/98/08/135329808.db2.gz VCUZISPPSVLAHY-SNVBAGLBSA-N 2 2 209.297 -0.051 10 0 BBAELP [NH3+]CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000263058705 135329806 /nfs/dbraw/zinc/32/98/06/135329806.db2.gz VCUZISPPSVLAHY-SNVBAGLBSA-N 2 2 209.297 -0.051 10 0 BBAELP CN(C)c1[nH+]cccc1CNC(=O)C1C[NH2+]C1 ZINC000263229583 135340994 /nfs/dbraw/zinc/34/09/94/135340994.db2.gz ARUPWEABCNGVGS-UHFFFAOYSA-N 2 2 234.303 -0.017 10 0 BBAELP CCn1nccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263230772 135340867 /nfs/dbraw/zinc/34/08/67/135340867.db2.gz NJJMOOZXBDGKNC-GXSJLCMTSA-N 2 2 224.308 -0.427 10 0 BBAELP CCn1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263230774 135340847 /nfs/dbraw/zinc/34/08/47/135340847.db2.gz NJJMOOZXBDGKNC-KOLCDFICSA-N 2 2 224.308 -0.427 10 0 BBAELP CCn1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263230776 135341036 /nfs/dbraw/zinc/34/10/36/135341036.db2.gz NJJMOOZXBDGKNC-MWLCHTKSSA-N 2 2 224.308 -0.427 10 0 BBAELP CCn1nccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263230778 135341298 /nfs/dbraw/zinc/34/12/98/135341298.db2.gz NJJMOOZXBDGKNC-ONGXEEELSA-N 2 2 224.308 -0.427 10 0 BBAELP C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000263237612 135341683 /nfs/dbraw/zinc/34/16/83/135341683.db2.gz KBVWOBZCXUJEKE-JTQLQIEISA-N 2 2 229.324 -0.615 10 0 BBAELP C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000263237613 135341640 /nfs/dbraw/zinc/34/16/40/135341640.db2.gz KBVWOBZCXUJEKE-SNVBAGLBSA-N 2 2 229.324 -0.615 10 0 BBAELP C[C@@H](NC(=O)C1C[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000263245545 135341698 /nfs/dbraw/zinc/34/16/98/135341698.db2.gz CZZUTMICNIXQCV-NXEZZACHSA-N 2 2 241.335 -0.569 10 0 BBAELP C[C@H](NC(=O)C1C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000263245546 135341707 /nfs/dbraw/zinc/34/17/07/135341707.db2.gz CZZUTMICNIXQCV-UWVGGRQHSA-N 2 2 241.335 -0.569 10 0 BBAELP C[C@H]([C@H](C)NC(=O)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000263245548 135341635 /nfs/dbraw/zinc/34/16/35/135341635.db2.gz CZZUTMICNIXQCV-VHSXEESVSA-N 2 2 241.335 -0.569 10 0 BBAELP C[C@@H](NC(=O)C1C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000263245549 135342104 /nfs/dbraw/zinc/34/21/04/135342104.db2.gz CZZUTMICNIXQCV-ZJUUUORDSA-N 2 2 241.335 -0.569 10 0 BBAELP COC[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000263256570 135342934 /nfs/dbraw/zinc/34/29/34/135342934.db2.gz RCGBDLFZNUTXJG-JTQLQIEISA-N 2 2 248.286 -0.076 10 0 BBAELP COC[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000263256572 536665111 /nfs/dbraw/zinc/66/51/11/536665111.db2.gz RCGBDLFZNUTXJG-SNVBAGLBSA-N 2 2 248.286 -0.076 10 0 BBAELP CC1(C)COCC[N@H+]1CCNC(=O)C1C[NH2+]C1 ZINC000263292754 535360681 /nfs/dbraw/zinc/36/06/81/535360681.db2.gz LUTVLKHZUFTLOF-UHFFFAOYSA-N 2 2 241.335 -0.567 10 0 BBAELP CC1(C)COCC[N@@H+]1CCNC(=O)C1C[NH2+]C1 ZINC000263292754 535360677 /nfs/dbraw/zinc/36/06/77/535360677.db2.gz LUTVLKHZUFTLOF-UHFFFAOYSA-N 2 2 241.335 -0.567 10 0 BBAELP C[C@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000263309916 135346158 /nfs/dbraw/zinc/34/61/58/135346158.db2.gz PBQKCCQDYKCNMN-SECBINFHSA-N 2 2 227.308 -0.957 10 0 BBAELP C[C@@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000263309925 135345957 /nfs/dbraw/zinc/34/59/57/135345957.db2.gz PBQKCCQDYKCNMN-VIFPVBQESA-N 2 2 227.308 -0.957 10 0 BBAELP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263311361 135345795 /nfs/dbraw/zinc/34/57/95/135345795.db2.gz YSWOYMLFJBJHKD-GMSGAONNSA-N 2 2 244.726 -0.257 10 0 BBAELP Cn1ncc(Cl)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263311362 135346140 /nfs/dbraw/zinc/34/61/40/135346140.db2.gz YSWOYMLFJBJHKD-OIBJUYFYSA-N 2 2 244.726 -0.257 10 0 BBAELP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263311363 135346052 /nfs/dbraw/zinc/34/60/52/135346052.db2.gz YSWOYMLFJBJHKD-XCBNKYQSSA-N 2 2 244.726 -0.257 10 0 BBAELP Cn1ncc(Cl)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263311364 135345927 /nfs/dbraw/zinc/34/59/27/135345927.db2.gz YSWOYMLFJBJHKD-XVKPBYJWSA-N 2 2 244.726 -0.257 10 0 BBAELP CO[C@@H]1C[C@@H](CO)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000284639337 387208696 /nfs/dbraw/zinc/20/86/96/387208696.db2.gz ONVZKEYAVNUTNN-WDEREUQCSA-N 2 2 225.292 -0.035 10 0 BBAELP CO[C@@H]1C[C@@H](CO)[N@H+](CCn2cc[nH+]c2)C1 ZINC000284639337 387208690 /nfs/dbraw/zinc/20/86/90/387208690.db2.gz ONVZKEYAVNUTNN-WDEREUQCSA-N 2 2 225.292 -0.035 10 0 BBAELP Cn1cc[nH+]c1[C@@H]1[C@@H](C[NH3+])CC(=O)N1C ZINC000299805184 398152858 /nfs/dbraw/zinc/15/28/58/398152858.db2.gz BVDXONMNSOSTFE-APPZFPTMSA-N 2 2 208.265 -0.102 10 0 BBAELP CO[C@@H]1CC[N@H+]([C@@]2(C[NH3+])CCOC2)C1 ZINC000300043023 352553201 /nfs/dbraw/zinc/55/32/01/352553201.db2.gz UIBICYSOXKVNHJ-NXEZZACHSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@@H]1CC[N@@H+]([C@@]2(C[NH3+])CCOC2)C1 ZINC000300043023 352553198 /nfs/dbraw/zinc/55/31/98/352553198.db2.gz UIBICYSOXKVNHJ-NXEZZACHSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@H]1CC[N@H+]([C@]2(C[NH3+])CCOC2)C1 ZINC000300043024 352553166 /nfs/dbraw/zinc/55/31/66/352553166.db2.gz UIBICYSOXKVNHJ-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@H]1CC[N@@H+]([C@]2(C[NH3+])CCOC2)C1 ZINC000300043024 352553163 /nfs/dbraw/zinc/55/31/63/352553163.db2.gz UIBICYSOXKVNHJ-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@@H]1CC[N@H+]([C@]2(C[NH3+])CCOC2)C1 ZINC000300043025 352553084 /nfs/dbraw/zinc/55/30/84/352553084.db2.gz UIBICYSOXKVNHJ-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@@H]1CC[N@@H+]([C@]2(C[NH3+])CCOC2)C1 ZINC000300043025 352553081 /nfs/dbraw/zinc/55/30/81/352553081.db2.gz UIBICYSOXKVNHJ-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP C[C@H]1C[N@@H+](CCN2CCOCC2)C[C@H]1[NH3+] ZINC000300049482 344380517 /nfs/dbraw/zinc/38/05/17/344380517.db2.gz SCMYAFFDLYGSDX-WDEREUQCSA-N 2 2 213.325 -0.402 10 0 BBAELP C[C@H]1C[N@H+](CCN2CCOCC2)C[C@H]1[NH3+] ZINC000300049482 344380516 /nfs/dbraw/zinc/38/05/16/344380516.db2.gz SCMYAFFDLYGSDX-WDEREUQCSA-N 2 2 213.325 -0.402 10 0 BBAELP C[C@H]1CN(CC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000300049482 344380515 /nfs/dbraw/zinc/38/05/15/344380515.db2.gz SCMYAFFDLYGSDX-WDEREUQCSA-N 2 2 213.325 -0.402 10 0 BBAELP Cc1nc(N2CC[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000304419961 384282854 /nfs/dbraw/zinc/28/28/54/384282854.db2.gz DLPIETWYYMIRLQ-MRVPVSSYSA-N 2 2 222.296 -0.097 10 0 BBAELP Cc1nc(N2CC[C@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000304419964 384284379 /nfs/dbraw/zinc/28/43/79/384284379.db2.gz DLPIETWYYMIRLQ-QMMMGPOBSA-N 2 2 222.296 -0.097 10 0 BBAELP [NH3+]C[C@H]1CCC[N@H+]1C1COCCOC1 ZINC000306191709 359017933 /nfs/dbraw/zinc/01/79/33/359017933.db2.gz IFTJJTLKTBPRGM-SECBINFHSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]C[C@H]1CCC[N@@H+]1C1COCCOC1 ZINC000306191709 359017929 /nfs/dbraw/zinc/01/79/29/359017929.db2.gz IFTJJTLKTBPRGM-SECBINFHSA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]C[C@@H]1CCC[N@H+]1C1COCCOC1 ZINC000306191711 359017947 /nfs/dbraw/zinc/01/79/47/359017947.db2.gz IFTJJTLKTBPRGM-VIFPVBQESA-N 2 2 200.282 -0.175 10 0 BBAELP [NH3+]C[C@@H]1CCC[N@@H+]1C1COCCOC1 ZINC000306191711 359017943 /nfs/dbraw/zinc/01/79/43/359017943.db2.gz IFTJJTLKTBPRGM-VIFPVBQESA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@@H]1COCC[C@]1(C[NH3+])[NH+]1CCC1 ZINC000306214673 359317194 /nfs/dbraw/zinc/31/71/94/359317194.db2.gz NLXCCMSMJDEGDX-NXEZZACHSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@H]1COCC[C@@]1(C[NH3+])[NH+]1CCC1 ZINC000306214674 359316816 /nfs/dbraw/zinc/31/68/16/359316816.db2.gz NLXCCMSMJDEGDX-UWVGGRQHSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@H]1COCC[C@]1(C[NH3+])[NH+]1CCC1 ZINC000306214675 359316863 /nfs/dbraw/zinc/31/68/63/359316863.db2.gz NLXCCMSMJDEGDX-VHSXEESVSA-N 2 2 200.282 -0.175 10 0 BBAELP CO[C@@H]1COCC[C@@]1(C[NH3+])[NH+]1CCC1 ZINC000306214676 359316873 /nfs/dbraw/zinc/31/68/73/359316873.db2.gz NLXCCMSMJDEGDX-ZJUUUORDSA-N 2 2 200.282 -0.175 10 0 BBAELP C1C[NH2+]C[C@H]([NH2+]C2COCCOC2)C1 ZINC000306260284 359477373 /nfs/dbraw/zinc/47/73/73/359477373.db2.gz VCXNRTRUXHMAKH-SECBINFHSA-N 2 2 200.282 -0.257 10 0 BBAELP C1C[NH2+]C[C@@H]([NH2+]C2COCCOC2)C1 ZINC000306260285 359478564 /nfs/dbraw/zinc/47/85/64/359478564.db2.gz VCXNRTRUXHMAKH-VIFPVBQESA-N 2 2 200.282 -0.257 10 0 BBAELP C[C@@H]1C[N@H+](C2COCCOC2)C[C@H]1[NH3+] ZINC000306320925 359606464 /nfs/dbraw/zinc/60/64/64/359606464.db2.gz WVLQFACQXBRWCU-PSASIEDQSA-N 2 2 200.282 -0.319 10 0 BBAELP C[C@@H]1C[N@@H+](C2COCCOC2)C[C@H]1[NH3+] ZINC000306320925 359606460 /nfs/dbraw/zinc/60/64/60/359606460.db2.gz WVLQFACQXBRWCU-PSASIEDQSA-N 2 2 200.282 -0.319 10 0 BBAELP C[C@@H]1C[N@H+](C2COCCOC2)C[C@@H]1[NH3+] ZINC000306320926 359606028 /nfs/dbraw/zinc/60/60/28/359606028.db2.gz WVLQFACQXBRWCU-SCZZXKLOSA-N 2 2 200.282 -0.319 10 0 BBAELP C[C@@H]1C[N@@H+](C2COCCOC2)C[C@@H]1[NH3+] ZINC000306320926 359606024 /nfs/dbraw/zinc/60/60/24/359606024.db2.gz WVLQFACQXBRWCU-SCZZXKLOSA-N 2 2 200.282 -0.319 10 0 BBAELP C[C@H]1C[N@H+](C2COCCOC2)C[C@H]1[NH3+] ZINC000306320928 359606148 /nfs/dbraw/zinc/60/61/48/359606148.db2.gz WVLQFACQXBRWCU-WCBMZHEXSA-N 2 2 200.282 -0.319 10 0 BBAELP C[C@H]1C[N@@H+](C2COCCOC2)C[C@H]1[NH3+] ZINC000306320928 359606142 /nfs/dbraw/zinc/60/61/42/359606142.db2.gz WVLQFACQXBRWCU-WCBMZHEXSA-N 2 2 200.282 -0.319 10 0 BBAELP C[C@H]1C[N@H+](C2COCCOC2)C[C@@H]1[NH3+] ZINC000306320929 359606361 /nfs/dbraw/zinc/60/63/61/359606361.db2.gz WVLQFACQXBRWCU-WPRPVWTQSA-N 2 2 200.282 -0.319 10 0 BBAELP C[C@H]1C[N@@H+](C2COCCOC2)C[C@@H]1[NH3+] ZINC000306320929 359606356 /nfs/dbraw/zinc/60/63/56/359606356.db2.gz WVLQFACQXBRWCU-WPRPVWTQSA-N 2 2 200.282 -0.319 10 0 BBAELP O[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000306322751 359607093 /nfs/dbraw/zinc/60/70/93/359607093.db2.gz UPWQSZNLSAWYIW-NXEZZACHSA-N 2 2 200.282 -0.569 10 0 BBAELP O[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000306322751 359607086 /nfs/dbraw/zinc/60/70/86/359607086.db2.gz UPWQSZNLSAWYIW-NXEZZACHSA-N 2 2 200.282 -0.569 10 0 BBAELP O[C@H]1C[NH2+]CC[N@H+]([C@H]2CCCOC2)C1 ZINC000306322753 359607123 /nfs/dbraw/zinc/60/71/23/359607123.db2.gz UPWQSZNLSAWYIW-UWVGGRQHSA-N 2 2 200.282 -0.569 10 0 BBAELP O[C@H]1C[NH2+]CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000306322753 359607115 /nfs/dbraw/zinc/60/71/15/359607115.db2.gz UPWQSZNLSAWYIW-UWVGGRQHSA-N 2 2 200.282 -0.569 10 0 BBAELP O[C@@H]1C[NH2+]CC[N@H+]([C@H]2CCCOC2)C1 ZINC000306322754 359606992 /nfs/dbraw/zinc/60/69/92/359606992.db2.gz UPWQSZNLSAWYIW-VHSXEESVSA-N 2 2 200.282 -0.569 10 0 BBAELP O[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000306322754 359606988 /nfs/dbraw/zinc/60/69/88/359606988.db2.gz UPWQSZNLSAWYIW-VHSXEESVSA-N 2 2 200.282 -0.569 10 0 BBAELP O[C@H]1C[NH2+]CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000306322755 359606881 /nfs/dbraw/zinc/60/68/81/359606881.db2.gz UPWQSZNLSAWYIW-ZJUUUORDSA-N 2 2 200.282 -0.569 10 0 BBAELP O[C@H]1C[NH2+]CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000306322755 359606877 /nfs/dbraw/zinc/60/68/77/359606877.db2.gz UPWQSZNLSAWYIW-ZJUUUORDSA-N 2 2 200.282 -0.569 10 0 BBAELP C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC(F)(F)C1 ZINC000306381131 359731019 /nfs/dbraw/zinc/73/10/19/359731019.db2.gz WMQAXBDXLGLYCM-NTSWFWBYSA-N 2 2 207.224 -0.553 10 0 BBAELP C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC(F)(F)C1 ZINC000306381134 359731151 /nfs/dbraw/zinc/73/11/51/359731151.db2.gz WMQAXBDXLGLYCM-WDSKDSINSA-N 2 2 207.224 -0.553 10 0 BBAELP NC(=O)[C@]1([NH3+])CC[C@H]([N@H+]2C[C@@H]3C[C@@H]3C2)C1 ZINC000306560013 360434994 /nfs/dbraw/zinc/43/49/94/360434994.db2.gz REIZQTLTLYWSAI-DKIAZLNASA-N 2 2 209.293 -0.327 10 0 BBAELP NC(=O)[C@]1([NH3+])CC[C@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)C1 ZINC000306560013 360434990 /nfs/dbraw/zinc/43/49/90/360434990.db2.gz REIZQTLTLYWSAI-DKIAZLNASA-N 2 2 209.293 -0.327 10 0 BBAELP NC(=O)[C@]1([NH3+])CC[C@@H]([N@H+]2C[C@@H]3C[C@@H]3C2)C1 ZINC000306560015 360435196 /nfs/dbraw/zinc/43/51/96/360435196.db2.gz REIZQTLTLYWSAI-LOKLDPHHSA-N 2 2 209.293 -0.327 10 0 BBAELP NC(=O)[C@]1([NH3+])CC[C@@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)C1 ZINC000306560015 360435195 /nfs/dbraw/zinc/43/51/95/360435195.db2.gz REIZQTLTLYWSAI-LOKLDPHHSA-N 2 2 209.293 -0.327 10 0 BBAELP C[S@@](=O)CC[N@@H+]1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000306561765 360438936 /nfs/dbraw/zinc/43/89/36/360438936.db2.gz BYMIWZCLIMVGOY-CWWJLMTASA-N 2 2 202.323 -0.356 10 0 BBAELP C[S@@](=O)CC[N@H+]1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000306561765 360438935 /nfs/dbraw/zinc/43/89/35/360438935.db2.gz BYMIWZCLIMVGOY-CWWJLMTASA-N 2 2 202.323 -0.356 10 0 BBAELP C[S@](=O)CC[N@@H+]1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000306561766 360438914 /nfs/dbraw/zinc/43/89/14/360438914.db2.gz BYMIWZCLIMVGOY-LFFRYVDOSA-N 2 2 202.323 -0.356 10 0 BBAELP C[S@](=O)CC[N@H+]1C[C@H]2C[C@@H](C1)C2[NH3+] ZINC000306561766 360438913 /nfs/dbraw/zinc/43/89/13/360438913.db2.gz BYMIWZCLIMVGOY-LFFRYVDOSA-N 2 2 202.323 -0.356 10 0 BBAELP CC(C)(O)CC[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC000306580074 360470785 /nfs/dbraw/zinc/47/07/85/360470785.db2.gz NNSAYKFFZGPYQD-SECBINFHSA-N 2 2 202.298 -0.587 10 0 BBAELP CC(C)(O)CC[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC000306580074 360470783 /nfs/dbraw/zinc/47/07/83/360470783.db2.gz NNSAYKFFZGPYQD-SECBINFHSA-N 2 2 202.298 -0.587 10 0 BBAELP CC(C)(O)CC[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC000306580075 360470699 /nfs/dbraw/zinc/47/06/99/360470699.db2.gz NNSAYKFFZGPYQD-VIFPVBQESA-N 2 2 202.298 -0.587 10 0 BBAELP CC(C)(O)CC[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC000306580075 360470697 /nfs/dbraw/zinc/47/06/97/360470697.db2.gz NNSAYKFFZGPYQD-VIFPVBQESA-N 2 2 202.298 -0.587 10 0 BBAELP CC1(O)C[NH+](C[C@@H]2COCC[C@@H]2[NH3+])C1 ZINC000306682226 350838254 /nfs/dbraw/zinc/83/82/54/350838254.db2.gz QMYMBVRCZAVMBE-BDAKNGLRSA-N 2 2 200.282 -0.583 10 0 BBAELP CC1(O)C[NH+](C[C@H]2COCC[C@H]2[NH3+])C1 ZINC000306682227 350837936 /nfs/dbraw/zinc/83/79/36/350837936.db2.gz QMYMBVRCZAVMBE-DTWKUNHWSA-N 2 2 200.282 -0.583 10 0 BBAELP CC1(O)C[NH+](C[C@H]2COCC[C@@H]2[NH3+])C1 ZINC000306682228 350837941 /nfs/dbraw/zinc/83/79/41/350837941.db2.gz QMYMBVRCZAVMBE-IUCAKERBSA-N 2 2 200.282 -0.583 10 0 BBAELP CC1(O)C[NH+](C[C@@H]2COCC[C@H]2[NH3+])C1 ZINC000306682229 350838063 /nfs/dbraw/zinc/83/80/63/350838063.db2.gz QMYMBVRCZAVMBE-RKDXNWHRSA-N 2 2 200.282 -0.583 10 0 BBAELP [NH3+]CCC(=O)N[C@@H]1C[NH2+]CC(F)(F)C1 ZINC000306726024 350895928 /nfs/dbraw/zinc/89/59/28/350895928.db2.gz LOZFJBPDFHDBJY-LURJTMIESA-N 2 2 207.224 -0.551 10 0 BBAELP [NH3+]CCC(=O)N[C@H]1C[NH2+]CC(F)(F)C1 ZINC000306726025 350895543 /nfs/dbraw/zinc/89/55/43/350895543.db2.gz LOZFJBPDFHDBJY-ZCFIWIBFSA-N 2 2 207.224 -0.551 10 0 BBAELP Cc1[nH+]cc([C@H]([NH3+])CS(C)(=O)=O)n1C ZINC000306814373 351083843 /nfs/dbraw/zinc/08/38/43/351083843.db2.gz COOAIOVDYXAZHI-SSDOTTSWSA-N 2 2 217.294 -0.227 10 0 BBAELP Cc1[nH+]cc([C@@H]([NH3+])CS(C)(=O)=O)n1C ZINC000306814400 351083805 /nfs/dbraw/zinc/08/38/05/351083805.db2.gz COOAIOVDYXAZHI-ZETCQYMHSA-N 2 2 217.294 -0.227 10 0 BBAELP C[C@H](C[NH3+])NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000306998930 385647466 /nfs/dbraw/zinc/64/74/66/385647466.db2.gz YPDAHOAPFIQJQS-PHDIDXHHSA-N 2 2 207.224 -0.553 10 0 BBAELP C[C@H](C[NH3+])NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000306998931 385646960 /nfs/dbraw/zinc/64/69/60/385646960.db2.gz YPDAHOAPFIQJQS-RITPCOANSA-N 2 2 207.224 -0.553 10 0 BBAELP [NH3+]CC1([NH+]2CCCC2)COCCOC1 ZINC000307062146 351460185 /nfs/dbraw/zinc/46/01/85/351460185.db2.gz MOGPNNJYMBNHHL-UHFFFAOYSA-N 2 2 200.282 -0.174 10 0 BBAELP [NH3+][C@H]1CC[C@H]([NH2+]C2CS(=O)(=O)C2)C1 ZINC000307091302 351474186 /nfs/dbraw/zinc/47/41/86/351474186.db2.gz XCUXSWJORLMSCK-BQBZGAKWSA-N 2 2 204.295 -0.747 10 0 BBAELP [NH3+][C@H]1CC[C@@H]([NH2+]C2CS(=O)(=O)C2)C1 ZINC000307091304 351475193 /nfs/dbraw/zinc/47/51/93/351475193.db2.gz XCUXSWJORLMSCK-NKWVEPMBSA-N 2 2 204.295 -0.747 10 0 BBAELP [NH3+][C@@H]1CC[C@@H]([NH2+]C2CS(=O)(=O)C2)C1 ZINC000307091307 351475356 /nfs/dbraw/zinc/47/53/56/351475356.db2.gz XCUXSWJORLMSCK-RNFRBKRXSA-N 2 2 204.295 -0.747 10 0 BBAELP [NH3+][C@@H]1CC[C@H]([NH2+]C2CS(=O)(=O)C2)C1 ZINC000307091308 351475521 /nfs/dbraw/zinc/47/55/21/351475521.db2.gz XCUXSWJORLMSCK-RQJHMYQMSA-N 2 2 204.295 -0.747 10 0 BBAELP CS[C@H]1CC[N@H+]([C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000307106665 351482147 /nfs/dbraw/zinc/48/21/47/351482147.db2.gz DYPRZAMDAMRVJH-DJLDLDEBSA-N 2 2 202.323 -0.244 10 0 BBAELP CS[C@H]1CC[N@@H+]([C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000307106665 351482145 /nfs/dbraw/zinc/48/21/45/351482145.db2.gz DYPRZAMDAMRVJH-DJLDLDEBSA-N 2 2 202.323 -0.244 10 0 BBAELP CO[C@@H]1C[C@H](C[NH3+])[N@H+]([C@H]2CCOC2)C1 ZINC000307160371 353058287 /nfs/dbraw/zinc/05/82/87/353058287.db2.gz WCEIDTAORTWHOC-IVZWLZJFSA-N 2 2 200.282 -0.177 10 0 BBAELP CO[C@@H]1C[C@H](C[NH3+])[N@@H+]([C@H]2CCOC2)C1 ZINC000307160371 353058283 /nfs/dbraw/zinc/05/82/83/353058283.db2.gz WCEIDTAORTWHOC-IVZWLZJFSA-N 2 2 200.282 -0.177 10 0 BBAELP CO[C@@H]1C[C@@H](C[NH3+])[N@H+]([C@@H]2CCOC2)C1 ZINC000307160372 351511796 /nfs/dbraw/zinc/51/17/96/351511796.db2.gz WCEIDTAORTWHOC-KXUCPTDWSA-N 2 2 200.282 -0.177 10 0 BBAELP CO[C@@H]1C[C@@H](C[NH3+])[N@@H+]([C@@H]2CCOC2)C1 ZINC000307160372 351511791 /nfs/dbraw/zinc/51/17/91/351511791.db2.gz WCEIDTAORTWHOC-KXUCPTDWSA-N 2 2 200.282 -0.177 10 0 BBAELP CO[C@@H]1C[C@@H](C[NH3+])[N@H+]([C@H]2CCOC2)C1 ZINC000307160373 351512165 /nfs/dbraw/zinc/51/21/65/351512165.db2.gz WCEIDTAORTWHOC-LPEHRKFASA-N 2 2 200.282 -0.177 10 0 BBAELP CO[C@@H]1C[C@@H](C[NH3+])[N@@H+]([C@H]2CCOC2)C1 ZINC000307160373 351512164 /nfs/dbraw/zinc/51/21/64/351512164.db2.gz WCEIDTAORTWHOC-LPEHRKFASA-N 2 2 200.282 -0.177 10 0 BBAELP CO[C@@H]1C[C@H](C[NH3+])[N@H+]([C@@H]2CCOC2)C1 ZINC000307160374 351512432 /nfs/dbraw/zinc/51/24/32/351512432.db2.gz WCEIDTAORTWHOC-OPRDCNLKSA-N 2 2 200.282 -0.177 10 0 BBAELP CO[C@@H]1C[C@H](C[NH3+])[N@@H+]([C@@H]2CCOC2)C1 ZINC000307160374 351512430 /nfs/dbraw/zinc/51/24/30/351512430.db2.gz WCEIDTAORTWHOC-OPRDCNLKSA-N 2 2 200.282 -0.177 10 0 BBAELP OCC1([N@H+]2CCC[NH2+]CC2)CSC1 ZINC000307177214 351565409 /nfs/dbraw/zinc/56/54/09/351565409.db2.gz ZXOIFRSAANMSHG-UHFFFAOYSA-N 2 2 202.323 -0.240 10 0 BBAELP OCC1([N@@H+]2CCC[NH2+]CC2)CSC1 ZINC000307177214 351565406 /nfs/dbraw/zinc/56/54/06/351565406.db2.gz ZXOIFRSAANMSHG-UHFFFAOYSA-N 2 2 202.323 -0.240 10 0 BBAELP C[C@@H]1C[N@@H+](CC2(CO)COC2)C[C@@H]1[NH3+] ZINC000307238709 351728382 /nfs/dbraw/zinc/72/83/82/351728382.db2.gz HHUQRURCHBKBOY-BDAKNGLRSA-N 2 2 200.282 -0.726 10 0 BBAELP C[C@@H]1C[N@H+](CC2(CO)COC2)C[C@@H]1[NH3+] ZINC000307238709 351728379 /nfs/dbraw/zinc/72/83/79/351728379.db2.gz HHUQRURCHBKBOY-BDAKNGLRSA-N 2 2 200.282 -0.726 10 0 BBAELP C[C@H]1C[N@@H+](CC2(CO)COC2)C[C@H]1[NH3+] ZINC000307238714 351728343 /nfs/dbraw/zinc/72/83/43/351728343.db2.gz HHUQRURCHBKBOY-DTWKUNHWSA-N 2 2 200.282 -0.726 10 0 BBAELP C[C@H]1C[N@H+](CC2(CO)COC2)C[C@H]1[NH3+] ZINC000307238714 351728342 /nfs/dbraw/zinc/72/83/42/351728342.db2.gz HHUQRURCHBKBOY-DTWKUNHWSA-N 2 2 200.282 -0.726 10 0 BBAELP C[C@H]1C[N@@H+](CC2(CO)COC2)C[C@@H]1[NH3+] ZINC000307238719 351728215 /nfs/dbraw/zinc/72/82/15/351728215.db2.gz HHUQRURCHBKBOY-IUCAKERBSA-N 2 2 200.282 -0.726 10 0 BBAELP C[C@H]1C[N@H+](CC2(CO)COC2)C[C@@H]1[NH3+] ZINC000307238719 351728211 /nfs/dbraw/zinc/72/82/11/351728211.db2.gz HHUQRURCHBKBOY-IUCAKERBSA-N 2 2 200.282 -0.726 10 0 BBAELP C[C@@H]1C[N@@H+](CC2(CO)COC2)C[C@H]1[NH3+] ZINC000307238723 351728197 /nfs/dbraw/zinc/72/81/97/351728197.db2.gz HHUQRURCHBKBOY-RKDXNWHRSA-N 2 2 200.282 -0.726 10 0 BBAELP C[C@@H]1C[N@H+](CC2(CO)COC2)C[C@H]1[NH3+] ZINC000307238723 351728195 /nfs/dbraw/zinc/72/81/95/351728195.db2.gz HHUQRURCHBKBOY-RKDXNWHRSA-N 2 2 200.282 -0.726 10 0 BBAELP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CS(=O)(=O)C2)C1 ZINC000307248986 351755045 /nfs/dbraw/zinc/75/50/45/351755045.db2.gz IQQNFMXIPYDDNX-HTQZYQBOSA-N 2 2 218.322 -0.357 10 0 BBAELP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CS(=O)(=O)C2)C1 ZINC000307248987 351755303 /nfs/dbraw/zinc/75/53/03/351755303.db2.gz IQQNFMXIPYDDNX-JGVFFNPUSA-N 2 2 218.322 -0.357 10 0 BBAELP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CS(=O)(=O)C2)C1 ZINC000307248988 351755315 /nfs/dbraw/zinc/75/53/15/351755315.db2.gz IQQNFMXIPYDDNX-SFYZADRCSA-N 2 2 218.322 -0.357 10 0 BBAELP [NH3+][C@H]1CCC[C@H]([NH2+]C2CS(=O)(=O)C2)C1 ZINC000307248989 351754789 /nfs/dbraw/zinc/75/47/89/351754789.db2.gz IQQNFMXIPYDDNX-YUMQZZPRSA-N 2 2 218.322 -0.357 10 0 BBAELP O[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC2(C1)OCCO2 ZINC000307375567 352474718 /nfs/dbraw/zinc/47/47/18/352474718.db2.gz VFCZAGCSTKBFOI-IVZWLZJFSA-N 2 2 228.292 -0.796 10 0 BBAELP O[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC000307375573 352474582 /nfs/dbraw/zinc/47/45/82/352474582.db2.gz VFCZAGCSTKBFOI-OPRDCNLKSA-N 2 2 228.292 -0.796 10 0 BBAELP CO[C@@H]1C[C@H](CO)[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC000307411470 352589210 /nfs/dbraw/zinc/58/92/10/352589210.db2.gz HGKPWUTXMGJHQP-IVZWLZJFSA-N 2 2 200.282 -0.570 10 0 BBAELP CO[C@@H]1C[C@H](CO)[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC000307411470 352589207 /nfs/dbraw/zinc/58/92/07/352589207.db2.gz HGKPWUTXMGJHQP-IVZWLZJFSA-N 2 2 200.282 -0.570 10 0 BBAELP CO[C@@H]1C[C@@H](CO)[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000307411472 352589594 /nfs/dbraw/zinc/58/95/94/352589594.db2.gz HGKPWUTXMGJHQP-KXUCPTDWSA-N 2 2 200.282 -0.570 10 0 BBAELP CO[C@@H]1C[C@@H](CO)[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000307411472 352589589 /nfs/dbraw/zinc/58/95/89/352589589.db2.gz HGKPWUTXMGJHQP-KXUCPTDWSA-N 2 2 200.282 -0.570 10 0 BBAELP CO[C@@H]1C[C@@H](CO)[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC000307411473 352589659 /nfs/dbraw/zinc/58/96/59/352589659.db2.gz HGKPWUTXMGJHQP-LPEHRKFASA-N 2 2 200.282 -0.570 10 0 BBAELP CO[C@@H]1C[C@@H](CO)[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC000307411473 352589655 /nfs/dbraw/zinc/58/96/55/352589655.db2.gz HGKPWUTXMGJHQP-LPEHRKFASA-N 2 2 200.282 -0.570 10 0 BBAELP CO[C@@H]1C[C@H](CO)[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000307411474 352589398 /nfs/dbraw/zinc/58/93/98/352589398.db2.gz HGKPWUTXMGJHQP-OPRDCNLKSA-N 2 2 200.282 -0.570 10 0 BBAELP CO[C@@H]1C[C@H](CO)[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000307411474 352589396 /nfs/dbraw/zinc/58/93/96/352589396.db2.gz HGKPWUTXMGJHQP-OPRDCNLKSA-N 2 2 200.282 -0.570 10 0 BBAELP C[NH+]1CC(NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000307418537 352591478 /nfs/dbraw/zinc/59/14/78/352591478.db2.gz KPTCQUDQLKEXJS-SSDOTTSWSA-N 2 2 201.295 -0.921 10 0 BBAELP C[NH+]1CC(NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000307418555 352591490 /nfs/dbraw/zinc/59/14/90/352591490.db2.gz KPTCQUDQLKEXJS-ZETCQYMHSA-N 2 2 201.295 -0.921 10 0 BBAELP [NH3+][C@@H](CO)C[N@H+]1CCC[C@]12CCOC2 ZINC000307548860 352647421 /nfs/dbraw/zinc/64/74/21/352647421.db2.gz VPLGAAWKVNDBDQ-NXEZZACHSA-N 2 2 200.282 -0.439 10 0 BBAELP [NH3+][C@@H](CO)C[N@@H+]1CCC[C@]12CCOC2 ZINC000307548860 352647419 /nfs/dbraw/zinc/64/74/19/352647419.db2.gz VPLGAAWKVNDBDQ-NXEZZACHSA-N 2 2 200.282 -0.439 10 0 BBAELP [NH3+][C@H](CO)C[N@H+]1CCC[C@@]12CCOC2 ZINC000307548861 352647488 /nfs/dbraw/zinc/64/74/88/352647488.db2.gz VPLGAAWKVNDBDQ-UWVGGRQHSA-N 2 2 200.282 -0.439 10 0 BBAELP [NH3+][C@H](CO)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000307548861 352647487 /nfs/dbraw/zinc/64/74/87/352647487.db2.gz VPLGAAWKVNDBDQ-UWVGGRQHSA-N 2 2 200.282 -0.439 10 0 BBAELP [NH3+][C@H](CO)C[N@H+]1CCC[C@]12CCOC2 ZINC000307548862 352647264 /nfs/dbraw/zinc/64/72/64/352647264.db2.gz VPLGAAWKVNDBDQ-VHSXEESVSA-N 2 2 200.282 -0.439 10 0 BBAELP [NH3+][C@H](CO)C[N@@H+]1CCC[C@]12CCOC2 ZINC000307548862 352647263 /nfs/dbraw/zinc/64/72/63/352647263.db2.gz VPLGAAWKVNDBDQ-VHSXEESVSA-N 2 2 200.282 -0.439 10 0 BBAELP [NH3+][C@@H](CO)C[N@H+]1CCC[C@@]12CCOC2 ZINC000307548863 352647399 /nfs/dbraw/zinc/64/73/99/352647399.db2.gz VPLGAAWKVNDBDQ-ZJUUUORDSA-N 2 2 200.282 -0.439 10 0 BBAELP [NH3+][C@@H](CO)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000307548863 352647397 /nfs/dbraw/zinc/64/73/97/352647397.db2.gz VPLGAAWKVNDBDQ-ZJUUUORDSA-N 2 2 200.282 -0.439 10 0 BBAELP C[C@H]([NH3+])CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000307707951 411484065 /nfs/dbraw/zinc/48/40/65/411484065.db2.gz IBHJCDQNYCGPNK-NTSWFWBYSA-N 2 2 207.224 -0.553 10 0 BBAELP C[C@@H]([NH3+])CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000307707952 411484226 /nfs/dbraw/zinc/48/42/26/411484226.db2.gz IBHJCDQNYCGPNK-PHDIDXHHSA-N 2 2 207.224 -0.553 10 0 BBAELP C[C@@H]([NH3+])CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000307707953 411484595 /nfs/dbraw/zinc/48/45/95/411484595.db2.gz IBHJCDQNYCGPNK-RITPCOANSA-N 2 2 207.224 -0.553 10 0 BBAELP C[C@H]([NH3+])CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000307707954 411484275 /nfs/dbraw/zinc/48/42/75/411484275.db2.gz IBHJCDQNYCGPNK-WDSKDSINSA-N 2 2 207.224 -0.553 10 0 BBAELP C[NH2+][C@H](C[NH+]1C[C@@H](O)[C@H](O)C1)C(C)C ZINC000308369055 370132833 /nfs/dbraw/zinc/13/28/33/370132833.db2.gz OAOYIXLJRRGFNK-OPRDCNLKSA-N 2 2 202.298 -0.732 10 0 BBAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)COC ZINC000308465495 409705556 /nfs/dbraw/zinc/70/55/56/409705556.db2.gz GBAOBRGCURKHIH-NXEZZACHSA-N 2 2 204.314 -0.077 10 0 BBAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)COC ZINC000308465495 409705546 /nfs/dbraw/zinc/70/55/46/409705546.db2.gz GBAOBRGCURKHIH-NXEZZACHSA-N 2 2 204.314 -0.077 10 0 BBAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)COC ZINC000308465496 409705788 /nfs/dbraw/zinc/70/57/88/409705788.db2.gz GBAOBRGCURKHIH-UWVGGRQHSA-N 2 2 204.314 -0.077 10 0 BBAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)COC ZINC000308465496 409705780 /nfs/dbraw/zinc/70/57/80/409705780.db2.gz GBAOBRGCURKHIH-UWVGGRQHSA-N 2 2 204.314 -0.077 10 0 BBAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)COC ZINC000308465497 409706534 /nfs/dbraw/zinc/70/65/34/409706534.db2.gz GBAOBRGCURKHIH-VHSXEESVSA-N 2 2 204.314 -0.077 10 0 BBAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)COC ZINC000308465497 409706527 /nfs/dbraw/zinc/70/65/27/409706527.db2.gz GBAOBRGCURKHIH-VHSXEESVSA-N 2 2 204.314 -0.077 10 0 BBAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)COC ZINC000308465498 409706026 /nfs/dbraw/zinc/70/60/26/409706026.db2.gz GBAOBRGCURKHIH-ZJUUUORDSA-N 2 2 204.314 -0.077 10 0 BBAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)COC ZINC000308465498 409706023 /nfs/dbraw/zinc/70/60/23/409706023.db2.gz GBAOBRGCURKHIH-ZJUUUORDSA-N 2 2 204.314 -0.077 10 0 BBAELP OCC[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000308957646 491140980 /nfs/dbraw/zinc/14/09/80/491140980.db2.gz XYZHUGVXKNFCJK-LLVKDONJSA-N 2 2 214.309 -0.178 10 0 BBAELP OCC[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000308957647 491141011 /nfs/dbraw/zinc/14/10/11/491141011.db2.gz XYZHUGVXKNFCJK-NSHDSACASA-N 2 2 214.309 -0.178 10 0 BBAELP NC(=O)[C@@H]1COCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000309390243 633006751 /nfs/dbraw/zinc/00/67/51/633006751.db2.gz HNSMHBQFYMHNGJ-AEJSXWLSSA-N 2 2 227.308 -0.700 10 0 BBAELP NC(=O)[C@@H]1COCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000309390243 633006745 /nfs/dbraw/zinc/00/67/45/633006745.db2.gz HNSMHBQFYMHNGJ-AEJSXWLSSA-N 2 2 227.308 -0.700 10 0 BBAELP CN(CCC[NH3+])C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309447298 411397147 /nfs/dbraw/zinc/39/71/47/411397147.db2.gz LRILJMFHEQYHBY-SSDOTTSWSA-N 2 2 221.251 -0.209 10 0 BBAELP CN(CCC[NH3+])C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309447299 411397077 /nfs/dbraw/zinc/39/70/77/411397077.db2.gz LRILJMFHEQYHBY-ZETCQYMHSA-N 2 2 221.251 -0.209 10 0 BBAELP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309464389 347069640 /nfs/dbraw/zinc/06/96/40/347069640.db2.gz PPRNJZAMFHGEGK-BQBZGAKWSA-N 2 2 221.251 -0.305 10 0 BBAELP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309464790 347069228 /nfs/dbraw/zinc/06/92/28/347069228.db2.gz PPRNJZAMFHGEGK-NKWVEPMBSA-N 2 2 221.251 -0.305 10 0 BBAELP C[C@H](C[NH3+])CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000309464791 350538617 /nfs/dbraw/zinc/53/86/17/350538617.db2.gz PPRNJZAMFHGEGK-RNFRBKRXSA-N 2 2 221.251 -0.305 10 0 BBAELP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000309464792 350538680 /nfs/dbraw/zinc/53/86/80/350538680.db2.gz PPRNJZAMFHGEGK-RQJHMYQMSA-N 2 2 221.251 -0.305 10 0 BBAELP CN1CCO[C@@H]2C[N@@H+](CC(C)(C)[NH3+])C[C@@H]21 ZINC000309511839 387815403 /nfs/dbraw/zinc/81/54/03/387815403.db2.gz XOCMWIVSEHRINN-VHSXEESVSA-N 2 2 213.325 -0.262 10 0 BBAELP CN1CCO[C@@H]2C[N@H+](CC(C)(C)[NH3+])C[C@@H]21 ZINC000309511839 387815400 /nfs/dbraw/zinc/81/54/00/387815400.db2.gz XOCMWIVSEHRINN-VHSXEESVSA-N 2 2 213.325 -0.262 10 0 BBAELP C[N@H+]1CCO[C@@H]2CN(CC(C)(C)[NH3+])C[C@@H]21 ZINC000309511839 387815394 /nfs/dbraw/zinc/81/53/94/387815394.db2.gz XOCMWIVSEHRINN-VHSXEESVSA-N 2 2 213.325 -0.262 10 0 BBAELP C[N@@H+]1CCO[C@@H]2CN(CC(C)(C)[NH3+])C[C@@H]21 ZINC000309511839 387815388 /nfs/dbraw/zinc/81/53/88/387815388.db2.gz XOCMWIVSEHRINN-VHSXEESVSA-N 2 2 213.325 -0.262 10 0 BBAELP OCC[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000309515619 350694628 /nfs/dbraw/zinc/69/46/28/350694628.db2.gz RIAYQFIIBUNRRL-UHFFFAOYSA-N 2 2 224.308 -0.044 10 0 BBAELP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1C[N@@H+](C)CCO1 ZINC000309744622 176276871 /nfs/dbraw/zinc/27/68/71/176276871.db2.gz FEGSGAXACYMZBA-GRYCIOLGSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1C[N@H+](C)CCO1 ZINC000309744622 176276869 /nfs/dbraw/zinc/27/68/69/176276869.db2.gz FEGSGAXACYMZBA-GRYCIOLGSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1C[NH+](C)CCO1 ZINC000309744622 176276867 /nfs/dbraw/zinc/27/68/67/176276867.db2.gz FEGSGAXACYMZBA-GRYCIOLGSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1C[NH+](C)CCO1 ZINC000309744622 176276865 /nfs/dbraw/zinc/27/68/65/176276865.db2.gz FEGSGAXACYMZBA-GRYCIOLGSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000309744623 176277375 /nfs/dbraw/zinc/27/73/75/176277375.db2.gz FEGSGAXACYMZBA-IJLUTSLNSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1C[N@H+](C)CCO1 ZINC000309744623 176277373 /nfs/dbraw/zinc/27/73/73/176277373.db2.gz FEGSGAXACYMZBA-IJLUTSLNSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1C[NH+](C)CCO1 ZINC000309744623 176277372 /nfs/dbraw/zinc/27/73/72/176277372.db2.gz FEGSGAXACYMZBA-IJLUTSLNSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[NH+](C)CCO1 ZINC000309744623 176277370 /nfs/dbraw/zinc/27/73/70/176277370.db2.gz FEGSGAXACYMZBA-IJLUTSLNSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000309744624 176273640 /nfs/dbraw/zinc/27/36/40/176273640.db2.gz FEGSGAXACYMZBA-UTUOFQBUSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1C[N@H+](C)CCO1 ZINC000309744624 176273639 /nfs/dbraw/zinc/27/36/39/176273639.db2.gz FEGSGAXACYMZBA-UTUOFQBUSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1C[NH+](C)CCO1 ZINC000309744624 176273637 /nfs/dbraw/zinc/27/36/37/176273637.db2.gz FEGSGAXACYMZBA-UTUOFQBUSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1C[NH+](C)CCO1 ZINC000309744624 176273635 /nfs/dbraw/zinc/27/36/35/176273635.db2.gz FEGSGAXACYMZBA-UTUOFQBUSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1C[N@@H+](C)CCO1 ZINC000309744625 176273589 /nfs/dbraw/zinc/27/35/89/176273589.db2.gz FEGSGAXACYMZBA-WOPDTQHZSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1C[N@H+](C)CCO1 ZINC000309744625 176273588 /nfs/dbraw/zinc/27/35/88/176273588.db2.gz FEGSGAXACYMZBA-WOPDTQHZSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1C[NH+](C)CCO1 ZINC000309744625 176273586 /nfs/dbraw/zinc/27/35/86/176273586.db2.gz FEGSGAXACYMZBA-WOPDTQHZSA-N 2 2 227.352 -0.143 10 0 BBAELP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1C[NH+](C)CCO1 ZINC000309744625 176273584 /nfs/dbraw/zinc/27/35/84/176273584.db2.gz FEGSGAXACYMZBA-WOPDTQHZSA-N 2 2 227.352 -0.143 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000310287837 632715233 /nfs/dbraw/zinc/71/52/33/632715233.db2.gz YFFKXMYIPVUPES-GHMZBOCLSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000310287837 632715227 /nfs/dbraw/zinc/71/52/27/632715227.db2.gz YFFKXMYIPVUPES-GHMZBOCLSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310287840 632715254 /nfs/dbraw/zinc/71/52/54/632715254.db2.gz YFFKXMYIPVUPES-MNOVXSKESA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310287840 632715250 /nfs/dbraw/zinc/71/52/50/632715250.db2.gz YFFKXMYIPVUPES-MNOVXSKESA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310287843 632715757 /nfs/dbraw/zinc/71/57/57/632715757.db2.gz YFFKXMYIPVUPES-QWRGUYRKSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310287843 632715752 /nfs/dbraw/zinc/71/57/52/632715752.db2.gz YFFKXMYIPVUPES-QWRGUYRKSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000310287844 632715465 /nfs/dbraw/zinc/71/54/65/632715465.db2.gz YFFKXMYIPVUPES-WDEREUQCSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000310287844 632715459 /nfs/dbraw/zinc/71/54/59/632715459.db2.gz YFFKXMYIPVUPES-WDEREUQCSA-N 2 2 241.335 -0.439 10 0 BBAELP Cn1nnnc1NCC[NH+]1CCC([NH3+])CC1 ZINC000321281960 636619630 /nfs/dbraw/zinc/61/96/30/636619630.db2.gz HIKYEIGNFBLXCI-UHFFFAOYSA-N 2 2 225.300 -0.955 10 0 BBAELP [NH3+]C1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC000321429188 538870225 /nfs/dbraw/zinc/87/02/25/538870225.db2.gz WTIHUZMHNOZMRV-UHFFFAOYSA-N 2 2 211.309 -0.064 10 0 BBAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000328294658 388410477 /nfs/dbraw/zinc/41/04/77/388410477.db2.gz VVFJIHBRSBQAKN-NXEZZACHSA-N 2 2 202.298 -0.323 10 0 BBAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC000328294658 388410474 /nfs/dbraw/zinc/41/04/74/388410474.db2.gz VVFJIHBRSBQAKN-NXEZZACHSA-N 2 2 202.298 -0.323 10 0 BBAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC000328294659 388410341 /nfs/dbraw/zinc/41/03/41/388410341.db2.gz VVFJIHBRSBQAKN-UWVGGRQHSA-N 2 2 202.298 -0.323 10 0 BBAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC000328294659 388410338 /nfs/dbraw/zinc/41/03/38/388410338.db2.gz VVFJIHBRSBQAKN-UWVGGRQHSA-N 2 2 202.298 -0.323 10 0 BBAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000328294660 388410404 /nfs/dbraw/zinc/41/04/04/388410404.db2.gz VVFJIHBRSBQAKN-VHSXEESVSA-N 2 2 202.298 -0.323 10 0 BBAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC000328294660 388410401 /nfs/dbraw/zinc/41/04/01/388410401.db2.gz VVFJIHBRSBQAKN-VHSXEESVSA-N 2 2 202.298 -0.323 10 0 BBAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC000328294661 388410104 /nfs/dbraw/zinc/41/01/04/388410104.db2.gz VVFJIHBRSBQAKN-ZJUUUORDSA-N 2 2 202.298 -0.323 10 0 BBAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC000328294661 388410102 /nfs/dbraw/zinc/41/01/02/388410102.db2.gz VVFJIHBRSBQAKN-ZJUUUORDSA-N 2 2 202.298 -0.323 10 0 BBAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000328496820 388417072 /nfs/dbraw/zinc/41/70/72/388417072.db2.gz VDTKEOJLLCUGEX-SCZZXKLOSA-N 2 2 238.291 -0.255 10 0 BBAELP [NH3+][C@H]1C[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000335463233 386548023 /nfs/dbraw/zinc/54/80/23/386548023.db2.gz AKYRJMVDQYMYDN-DTORHVGOSA-N 2 2 220.276 -0.037 10 0 BBAELP CC1(C(=O)N2CCn3cc[nH+]c3C2)C[NH2+]C1 ZINC000335651109 136305064 /nfs/dbraw/zinc/30/50/64/136305064.db2.gz YYUHGOUMAOETKT-UHFFFAOYSA-N 2 2 220.276 -0.165 10 0 BBAELP Cc1c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cnn1C ZINC000358167035 386905342 /nfs/dbraw/zinc/90/53/42/386905342.db2.gz POCMQZIUWIJUBM-GFCCVEGCSA-N 2 2 238.335 -0.115 10 0 BBAELP Cc1c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cnn1C ZINC000358167035 386905340 /nfs/dbraw/zinc/90/53/40/386905340.db2.gz POCMQZIUWIJUBM-GFCCVEGCSA-N 2 2 238.335 -0.115 10 0 BBAELP Cc1c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cnn1C ZINC000358167036 384733775 /nfs/dbraw/zinc/73/37/75/384733775.db2.gz POCMQZIUWIJUBM-LBPRGKRZSA-N 2 2 238.335 -0.115 10 0 BBAELP Cc1c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cnn1C ZINC000358167036 384733769 /nfs/dbraw/zinc/73/37/69/384733769.db2.gz POCMQZIUWIJUBM-LBPRGKRZSA-N 2 2 238.335 -0.115 10 0 BBAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCn1cncn1 ZINC000362977596 388563102 /nfs/dbraw/zinc/56/31/02/388563102.db2.gz SBSHWTAMVFJKPG-GHMZBOCLSA-N 2 2 239.323 -0.365 10 0 BBAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCn1cncn1 ZINC000362977597 388562827 /nfs/dbraw/zinc/56/28/27/388562827.db2.gz SBSHWTAMVFJKPG-MNOVXSKESA-N 2 2 239.323 -0.365 10 0 BBAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCn1cncn1 ZINC000362977598 388563214 /nfs/dbraw/zinc/56/32/14/388563214.db2.gz SBSHWTAMVFJKPG-QWRGUYRKSA-N 2 2 239.323 -0.365 10 0 BBAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCn1cncn1 ZINC000362977599 388562715 /nfs/dbraw/zinc/56/27/15/388562715.db2.gz SBSHWTAMVFJKPG-WDEREUQCSA-N 2 2 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ZINC000381273472 410185086 /nfs/dbraw/zinc/18/50/86/410185086.db2.gz WFRAFEOWAWKYLI-ZETCQYMHSA-N 2 2 210.237 -0.424 10 0 BBAELP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000381309362 367377845 /nfs/dbraw/zinc/37/78/45/367377845.db2.gz LBAFABNYAWQCTI-BQBZGAKWSA-N 2 2 221.251 -0.163 10 0 BBAELP C[C@@H](CC[NH3+])NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000381309371 367378673 /nfs/dbraw/zinc/37/86/73/367378673.db2.gz LBAFABNYAWQCTI-NKWVEPMBSA-N 2 2 221.251 -0.163 10 0 BBAELP C[C@H](CC[NH3+])NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000381309374 367378508 /nfs/dbraw/zinc/37/85/08/367378508.db2.gz LBAFABNYAWQCTI-RNFRBKRXSA-N 2 2 221.251 -0.163 10 0 BBAELP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000381309376 367378342 /nfs/dbraw/zinc/37/83/42/367378342.db2.gz LBAFABNYAWQCTI-RQJHMYQMSA-N 2 2 221.251 -0.163 10 0 BBAELP OCC[NH+]1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000381570922 344522369 /nfs/dbraw/zinc/52/23/69/344522369.db2.gz XDUMBILMWOJART-UHFFFAOYSA-N 2 2 224.308 -0.044 10 0 BBAELP 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CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389302773 355955075 /nfs/dbraw/zinc/95/50/75/355955075.db2.gz CWWPBDNBPLLMDQ-NWDGAFQWSA-N 2 2 246.351 -0.306 10 0 BBAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC000389302776 355954998 /nfs/dbraw/zinc/95/49/98/355954998.db2.gz CWWPBDNBPLLMDQ-RYUDHWBXSA-N 2 2 246.351 -0.306 10 0 BBAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC000389302776 355954996 /nfs/dbraw/zinc/95/49/96/355954996.db2.gz CWWPBDNBPLLMDQ-RYUDHWBXSA-N 2 2 246.351 -0.306 10 0 BBAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389302779 355954886 /nfs/dbraw/zinc/95/48/86/355954886.db2.gz CWWPBDNBPLLMDQ-VXGBXAGGSA-N 2 2 246.351 -0.306 10 0 BBAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389302779 355954882 /nfs/dbraw/zinc/95/48/82/355954882.db2.gz CWWPBDNBPLLMDQ-VXGBXAGGSA-N 2 2 246.351 -0.306 10 0 BBAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000389490118 356693727 /nfs/dbraw/zinc/69/37/27/356693727.db2.gz ZJVZYRRFCPUVAP-NEPJUHHUSA-N 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CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000389839038 488118085 /nfs/dbraw/zinc/11/80/85/488118085.db2.gz YHAKUOUJADYICV-QWRGUYRKSA-N 2 2 241.335 -0.425 10 0 BBAELP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000389839038 488118079 /nfs/dbraw/zinc/11/80/79/488118079.db2.gz YHAKUOUJADYICV-QWRGUYRKSA-N 2 2 241.335 -0.425 10 0 BBAELP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000389839039 488117721 /nfs/dbraw/zinc/11/77/21/488117721.db2.gz YHAKUOUJADYICV-WDEREUQCSA-N 2 2 241.335 -0.425 10 0 BBAELP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000389839039 488117715 /nfs/dbraw/zinc/11/77/15/488117715.db2.gz YHAKUOUJADYICV-WDEREUQCSA-N 2 2 241.335 -0.425 10 0 BBAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nccs1 ZINC000389915983 398148637 /nfs/dbraw/zinc/14/86/37/398148637.db2.gz NAPIBOBIWICQTQ-HTQZYQBOSA-N 2 2 213.306 -0.187 10 0 BBAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nccs1 ZINC000389915989 398148720 /nfs/dbraw/zinc/14/87/20/398148720.db2.gz NAPIBOBIWICQTQ-JGVFFNPUSA-N 2 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213.285 -0.298 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000517375833 388548794 /nfs/dbraw/zinc/54/87/94/388548794.db2.gz YPKDCBNIKWJJAD-AEJSXWLSSA-N 2 2 227.308 -0.830 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000517375833 388548792 /nfs/dbraw/zinc/54/87/92/388548792.db2.gz YPKDCBNIKWJJAD-AEJSXWLSSA-N 2 2 227.308 -0.830 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000517375834 388548821 /nfs/dbraw/zinc/54/88/21/388548821.db2.gz YPKDCBNIKWJJAD-KXUCPTDWSA-N 2 2 227.308 -0.830 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000517375834 388548820 /nfs/dbraw/zinc/54/88/20/388548820.db2.gz YPKDCBNIKWJJAD-KXUCPTDWSA-N 2 2 227.308 -0.830 10 0 BBAELP CCN1C(=O)CO[C@H](C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000536952270 387165418 /nfs/dbraw/zinc/16/54/18/387165418.db2.gz RTLDJGLMOCKORV-SCZZXKLOSA-N 2 2 238.291 -0.333 10 0 BBAELP Cn1c[nH+]cc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000565483951 325917839 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Cn1nnnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000566243932 326022099 /nfs/dbraw/zinc/02/20/99/326022099.db2.gz XGFNSYPKTWBRKB-XHNCKOQMSA-N 2 2 222.296 -0.621 10 0 BBAELP Cn1nnnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000566243933 326022096 /nfs/dbraw/zinc/02/20/96/326022096.db2.gz XGFNSYPKTWBRKB-YIZRAAEISA-N 2 2 222.296 -0.621 10 0 BBAELP Cn1nnnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000566243933 326022095 /nfs/dbraw/zinc/02/20/95/326022095.db2.gz XGFNSYPKTWBRKB-YIZRAAEISA-N 2 2 222.296 -0.621 10 0 BBAELP C[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@@H]1[NH3+] ZINC000568634281 326369740 /nfs/dbraw/zinc/36/97/40/326369740.db2.gz PJCAEXAZGDFWFX-NEPJUHHUSA-N 2 2 227.352 -0.012 10 0 BBAELP C[C@@H]1C[N@H+](CCCN2CCOCC2)C[C@@H]1[NH3+] ZINC000568634281 326369739 /nfs/dbraw/zinc/36/97/39/326369739.db2.gz PJCAEXAZGDFWFX-NEPJUHHUSA-N 2 2 227.352 -0.012 10 0 BBAELP C[C@H]1C[N@@H+](CCCN2CCOCC2)C[C@H]1[NH3+] ZINC000568634288 326369771 /nfs/dbraw/zinc/36/97/71/326369771.db2.gz PJCAEXAZGDFWFX-NWDGAFQWSA-N 2 2 227.352 -0.012 10 0 BBAELP C[C@H]1C[N@H+](CCCN2CCOCC2)C[C@H]1[NH3+] ZINC000568634288 326369770 /nfs/dbraw/zinc/36/97/70/326369770.db2.gz PJCAEXAZGDFWFX-NWDGAFQWSA-N 2 2 227.352 -0.012 10 0 BBAELP C[C@H]1C[N@@H+](CCCN2CCOCC2)C[C@@H]1[NH3+] ZINC000568634290 326369697 /nfs/dbraw/zinc/36/96/97/326369697.db2.gz PJCAEXAZGDFWFX-RYUDHWBXSA-N 2 2 227.352 -0.012 10 0 BBAELP C[C@H]1C[N@H+](CCCN2CCOCC2)C[C@@H]1[NH3+] ZINC000568634290 326369696 /nfs/dbraw/zinc/36/96/96/326369696.db2.gz PJCAEXAZGDFWFX-RYUDHWBXSA-N 2 2 227.352 -0.012 10 0 BBAELP CC(C)(C)OC(=O)N1CC([NH3+])(C[NH3+])C1 ZINC000575631078 387825011 /nfs/dbraw/zinc/82/50/11/387825011.db2.gz RBWLULOEGYJHKZ-UHFFFAOYSA-N 2 2 201.270 -0.107 10 0 BBAELP Cc1ccc(NCC[NH2+]CC[NH3+])[n+]([O-])c1 ZINC000584621589 358289173 /nfs/dbraw/zinc/28/91/73/358289173.db2.gz ZDTSYTWFLWSSLC-UHFFFAOYSA-N 2 2 210.281 -0.411 10 0 BBAELP C(C[NH+]1CCOCC1)N1CC2(C[NH2+]C2)C1 ZINC000584623819 387503005 /nfs/dbraw/zinc/50/30/05/387503005.db2.gz RFPSJAJZAILIIK-UHFFFAOYSA-N 2 2 211.309 -0.776 10 0 BBAELP COC1=CC(=C=O)C=C[C@@]1(OC)[C@@H]([NH3+])C[NH3+] ZINC000584635584 358319222 /nfs/dbraw/zinc/31/92/22/358319222.db2.gz PMCQUYGSCYQQKZ-GXSJLCMTSA-N 2 2 224.260 -0.484 10 0 BBAELP COC1=CC(=C=O)C=C[C@]1(OC)[C@H]([NH3+])C[NH3+] ZINC000584635585 358319355 /nfs/dbraw/zinc/31/93/55/358319355.db2.gz PMCQUYGSCYQQKZ-KOLCDFICSA-N 2 2 224.260 -0.484 10 0 BBAELP COC1=CC(=C=O)C=C[C@@]1(OC)[C@H]([NH3+])C[NH3+] ZINC000584635586 358319409 /nfs/dbraw/zinc/31/94/09/358319409.db2.gz PMCQUYGSCYQQKZ-MWLCHTKSSA-N 2 2 224.260 -0.484 10 0 BBAELP COC1=CC(=C=O)C=C[C@]1(OC)[C@@H]([NH3+])C[NH3+] ZINC000584635587 358319597 /nfs/dbraw/zinc/31/95/97/358319597.db2.gz PMCQUYGSCYQQKZ-ONGXEEELSA-N 2 2 224.260 -0.484 10 0 BBAELP COC(=O)CC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600882217 344387627 /nfs/dbraw/zinc/38/76/27/344387627.db2.gz CFAISJHXSVDPHV-GXSJLCMTSA-N 2 2 230.308 -0.012 10 0 BBAELP COC(=O)CC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600882217 344387625 /nfs/dbraw/zinc/38/76/25/344387625.db2.gz CFAISJHXSVDPHV-GXSJLCMTSA-N 2 2 230.308 -0.012 10 0 BBAELP COC(=O)CC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600882227 344387642 /nfs/dbraw/zinc/38/76/42/344387642.db2.gz CFAISJHXSVDPHV-KOLCDFICSA-N 2 2 230.308 -0.012 10 0 BBAELP COC(=O)CC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600882227 344387639 /nfs/dbraw/zinc/38/76/39/344387639.db2.gz CFAISJHXSVDPHV-KOLCDFICSA-N 2 2 230.308 -0.012 10 0 BBAELP COC(=O)CC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600882229 344387841 /nfs/dbraw/zinc/38/78/41/344387841.db2.gz CFAISJHXSVDPHV-MWLCHTKSSA-N 2 2 230.308 -0.012 10 0 BBAELP COC(=O)CC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600882229 344387838 /nfs/dbraw/zinc/38/78/38/344387838.db2.gz CFAISJHXSVDPHV-MWLCHTKSSA-N 2 2 230.308 -0.012 10 0 BBAELP COC(=O)CC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600882232 344387955 /nfs/dbraw/zinc/38/79/55/344387955.db2.gz CFAISJHXSVDPHV-ONGXEEELSA-N 2 2 230.308 -0.012 10 0 BBAELP COC(=O)CC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600882232 344387952 /nfs/dbraw/zinc/38/79/52/344387952.db2.gz CFAISJHXSVDPHV-ONGXEEELSA-N 2 2 230.308 -0.012 10 0 BBAELP CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]([NH3+])[C@H]2O)CC1 ZINC000616428225 347142876 /nfs/dbraw/zinc/14/28/76/347142876.db2.gz NKFUIXHOKQRRCC-IJLUTSLNSA-N 2 2 241.335 -0.609 10 0 BBAELP CN1CC[NH+]([C@H]2CC[NH2+]CC[C@@H]2O)CC1 ZINC000616576798 349103419 /nfs/dbraw/zinc/10/34/19/349103419.db2.gz BIPRZJHZDPVOJO-QWRGUYRKSA-N 2 2 213.325 -0.653 10 0 BBAELP CC(=O)N1CC[NH+]([C@H]2CC[NH2+]CC[C@@H]2O)CC1 ZINC000616577611 349115946 /nfs/dbraw/zinc/11/59/46/349115946.db2.gz HKTQNADJDBRVHF-RYUDHWBXSA-N 2 2 241.335 -0.737 10 0 BBAELP CC(=O)N1CC[NH+]([C@@H]2CC[C@@H]([NH3+])[C@H]2O)CC1 ZINC000616578525 349125403 /nfs/dbraw/zinc/12/54/03/349125403.db2.gz MFSFWGOVECSMBN-GMTAPVOTSA-N 2 2 227.308 -0.999 10 0 BBAELP CN(C)c1cc(N2CC[C@@](O)(C[NH3+])C2)[nH+]cn1 ZINC000616578532 349125148 /nfs/dbraw/zinc/12/51/48/349125148.db2.gz MGQDGNYWAMMXHI-LLVKDONJSA-N 2 2 237.307 -0.558 10 0 BBAELP CN(C)c1cc(N2CC[C@@](O)(C[NH3+])C2)nc[nH+]1 ZINC000616578532 349125143 /nfs/dbraw/zinc/12/51/43/349125143.db2.gz MGQDGNYWAMMXHI-LLVKDONJSA-N 2 2 237.307 -0.558 10 0 BBAELP CN(C)c1cc(N2CC[C@](O)(C[NH3+])C2)[nH+]cn1 ZINC000616578556 349125016 /nfs/dbraw/zinc/12/50/16/349125016.db2.gz MGQDGNYWAMMXHI-NSHDSACASA-N 2 2 237.307 -0.558 10 0 BBAELP CN(C)c1cc(N2CC[C@](O)(C[NH3+])C2)nc[nH+]1 ZINC000616578556 349125011 /nfs/dbraw/zinc/12/50/11/349125011.db2.gz MGQDGNYWAMMXHI-NSHDSACASA-N 2 2 237.307 -0.558 10 0 BBAELP Cc1cc(N2CC[C@](O)(C[NH3+])C2)nc[nH+]1 ZINC000616579276 349139995 /nfs/dbraw/zinc/13/99/95/349139995.db2.gz PYRRDHPQPWRCML-JTQLQIEISA-N 2 2 208.265 -0.315 10 0 BBAELP Cc1cc(N2CC[C@@](O)(C[NH3+])C2)nc[nH+]1 ZINC000616579286 349130839 /nfs/dbraw/zinc/13/08/39/349130839.db2.gz PYRRDHPQPWRCML-SNVBAGLBSA-N 2 2 208.265 -0.315 10 0 BBAELP CNc1cc(N2CC[C@@](O)(C[NH2+]C)C2)[nH+]cn1 ZINC000616579907 349211215 /nfs/dbraw/zinc/21/12/15/349211215.db2.gz SGILDKKNXBJZAV-LLVKDONJSA-N 2 2 237.307 -0.321 10 0 BBAELP CNc1cc(N2CC[C@@](O)(C[NH2+]C)C2)nc[nH+]1 ZINC000616579907 349211211 /nfs/dbraw/zinc/21/12/11/349211211.db2.gz SGILDKKNXBJZAV-LLVKDONJSA-N 2 2 237.307 -0.321 10 0 BBAELP CNc1cc(N2CC[C@](O)(C[NH2+]C)C2)[nH+]cn1 ZINC000616579909 349211981 /nfs/dbraw/zinc/21/19/81/349211981.db2.gz SGILDKKNXBJZAV-NSHDSACASA-N 2 2 237.307 -0.321 10 0 BBAELP CNc1cc(N2CC[C@](O)(C[NH2+]C)C2)nc[nH+]1 ZINC000616579909 349211979 /nfs/dbraw/zinc/21/19/79/349211979.db2.gz SGILDKKNXBJZAV-NSHDSACASA-N 2 2 237.307 -0.321 10 0 BBAELP CNc1cc(N2CCC[C@@](O)(C[NH3+])C2)[nH+]cn1 ZINC000616580060 349235180 /nfs/dbraw/zinc/23/51/80/349235180.db2.gz TWURVVMALHXZAZ-LLVKDONJSA-N 2 2 237.307 -0.192 10 0 BBAELP CNc1cc(N2CCC[C@@](O)(C[NH3+])C2)nc[nH+]1 ZINC000616580060 349235177 /nfs/dbraw/zinc/23/51/77/349235177.db2.gz TWURVVMALHXZAZ-LLVKDONJSA-N 2 2 237.307 -0.192 10 0 BBAELP CNc1cc(N2CCC[C@](O)(C[NH3+])C2)[nH+]cn1 ZINC000616580063 349236225 /nfs/dbraw/zinc/23/62/25/349236225.db2.gz TWURVVMALHXZAZ-NSHDSACASA-N 2 2 237.307 -0.192 10 0 BBAELP CNc1cc(N2CCC[C@](O)(C[NH3+])C2)nc[nH+]1 ZINC000616580063 349236223 /nfs/dbraw/zinc/23/62/23/349236223.db2.gz TWURVVMALHXZAZ-NSHDSACASA-N 2 2 237.307 -0.192 10 0 BBAELP O[C@H]1CC[NH2+]CC[C@@H]1[NH+]1CCOCC1 ZINC000616580299 349256799 /nfs/dbraw/zinc/25/67/99/349256799.db2.gz WFARZZSPRQENAP-UWVGGRQHSA-N 2 2 200.282 -0.569 10 0 BBAELP [NH3+]CC[N@H+]1CCC[C@@H](c2nn[nH]n2)CC1 ZINC000616601099 350781699 /nfs/dbraw/zinc/78/16/99/350781699.db2.gz KNDTVKUKDTTWCU-MRVPVSSYSA-N 2 2 210.285 -0.272 10 0 BBAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2nn[nH]n2)CC1 ZINC000616601099 350781697 /nfs/dbraw/zinc/78/16/97/350781697.db2.gz KNDTVKUKDTTWCU-MRVPVSSYSA-N 2 2 210.285 -0.272 10 0 BBAELP NS(=O)(=O)[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616601199 350781769 /nfs/dbraw/zinc/78/17/69/350781769.db2.gz LFEZCJJAUFMBSF-MRVPVSSYSA-N 2 2 221.326 -0.912 10 0 BBAELP NS(=O)(=O)[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616601199 350781765 /nfs/dbraw/zinc/78/17/65/350781765.db2.gz LFEZCJJAUFMBSF-MRVPVSSYSA-N 2 2 221.326 -0.912 10 0 BBAELP [NH3+]CC[N@H+]1CCCC[C@H](c2nn[nH]n2)C1 ZINC000616627511 351095599 /nfs/dbraw/zinc/09/55/99/351095599.db2.gz IVYPQJIYZKUPPA-QMMMGPOBSA-N 2 2 210.285 -0.272 10 0 BBAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2nn[nH]n2)C1 ZINC000616627511 351095597 /nfs/dbraw/zinc/09/55/97/351095597.db2.gz IVYPQJIYZKUPPA-QMMMGPOBSA-N 2 2 210.285 -0.272 10 0 BBAELP [NH3+]CC[N@H+]1CCC[C@H](c2nn[nH]n2)CC1 ZINC000616627735 351096748 /nfs/dbraw/zinc/09/67/48/351096748.db2.gz KNDTVKUKDTTWCU-QMMMGPOBSA-N 2 2 210.285 -0.272 10 0 BBAELP [NH3+]CC[N@@H+]1CCC[C@H](c2nn[nH]n2)CC1 ZINC000616627735 351096743 /nfs/dbraw/zinc/09/67/43/351096743.db2.gz KNDTVKUKDTTWCU-QMMMGPOBSA-N 2 2 210.285 -0.272 10 0 BBAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2nn[nH]n2)C1 ZINC000616628303 351097532 /nfs/dbraw/zinc/09/75/32/351097532.db2.gz IVYPQJIYZKUPPA-MRVPVSSYSA-N 2 2 210.285 -0.272 10 0 BBAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2nn[nH]n2)C1 ZINC000616628303 351097531 /nfs/dbraw/zinc/09/75/31/351097531.db2.gz IVYPQJIYZKUPPA-MRVPVSSYSA-N 2 2 210.285 -0.272 10 0 BBAELP NS(=O)(=O)[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616628435 351098709 /nfs/dbraw/zinc/09/87/09/351098709.db2.gz LFEZCJJAUFMBSF-QMMMGPOBSA-N 2 2 221.326 -0.912 10 0 BBAELP NS(=O)(=O)[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616628435 351098705 /nfs/dbraw/zinc/09/87/05/351098705.db2.gz LFEZCJJAUFMBSF-QMMMGPOBSA-N 2 2 221.326 -0.912 10 0 BBAELP CCOC(=O)N1CC[NH2+][C@H](CC[NH3+])C1 ZINC000616632977 351113734 /nfs/dbraw/zinc/11/37/34/351113734.db2.gz TYJIQATUSCPREL-MRVPVSSYSA-N 2 2 201.270 -0.235 10 0 BBAELP CCOC(=O)N1CC[NH2+][C@@H](CC[NH3+])C1 ZINC000616633389 351115418 /nfs/dbraw/zinc/11/54/18/351115418.db2.gz TYJIQATUSCPREL-QMMMGPOBSA-N 2 2 201.270 -0.235 10 0 BBAELP [NH3+]CCN1CC[NH2+][C@H](c2ncccn2)C1 ZINC000616633972 351115877 /nfs/dbraw/zinc/11/58/77/351115877.db2.gz IIEPVWZITOVZFN-VIFPVBQESA-N 2 2 207.281 -0.618 10 0 BBAELP [NH3+]CCN1CC[NH2+][C@H](OC(F)(F)F)C1 ZINC000616634760 351117944 /nfs/dbraw/zinc/11/79/44/351117944.db2.gz XDRSQDHKUVFRJN-ZCFIWIBFSA-N 2 2 213.203 -0.287 10 0 BBAELP NC(=O)N1CC[NH2+]C[C@@H]1c1cc[nH+]c(N)c1 ZINC000616638014 411976013 /nfs/dbraw/zinc/97/60/13/411976013.db2.gz FGVRGFYGLAZERI-MRVPVSSYSA-N 2 2 221.264 -0.311 10 0 BBAELP NC(=O)N1CC[NH2+]C[C@H]1c1cc[nH+]c(N)c1 ZINC000616638130 411977484 /nfs/dbraw/zinc/97/74/84/411977484.db2.gz FGVRGFYGLAZERI-QMMMGPOBSA-N 2 2 221.264 -0.311 10 0 BBAELP Nc1cccc([C@H]2COCCN2CC[NH3+])[nH+]1 ZINC000616639740 351143332 /nfs/dbraw/zinc/14/33/32/351143332.db2.gz OOQWXFJAHJDFGN-SNVBAGLBSA-N 2 2 222.292 -0.004 10 0 BBAELP Nc1cc([C@H]2COCCN2CC[NH3+])cc[nH+]1 ZINC000616639758 411287474 /nfs/dbraw/zinc/28/74/74/411287474.db2.gz PMVLCCPUTYSGIX-SNVBAGLBSA-N 2 2 222.292 -0.004 10 0 BBAELP Nc1cccc([C@@H]2COCCN2CC[NH3+])[nH+]1 ZINC000616640811 385864673 /nfs/dbraw/zinc/86/46/73/385864673.db2.gz OOQWXFJAHJDFGN-JTQLQIEISA-N 2 2 222.292 -0.004 10 0 BBAELP Nc1cc([C@@H]2COCCN2CC[NH3+])cc[nH+]1 ZINC000616640835 411287747 /nfs/dbraw/zinc/28/77/47/411287747.db2.gz PMVLCCPUTYSGIX-JTQLQIEISA-N 2 2 222.292 -0.004 10 0 BBAELP Nc1cc([C@H]2CN(CC[NH3+])CCO2)cc[nH+]1 ZINC000616646201 411287132 /nfs/dbraw/zinc/28/71/32/411287132.db2.gz ICBKBMJRZJPBSF-SNVBAGLBSA-N 2 2 222.292 -0.004 10 0 BBAELP Nc1cc([C@@H]2CN(CC[NH3+])CCO2)cc[nH+]1 ZINC000616647763 411287409 /nfs/dbraw/zinc/28/74/09/411287409.db2.gz ICBKBMJRZJPBSF-JTQLQIEISA-N 2 2 222.292 -0.004 10 0 BBAELP [NH3+]CCN1CC[NH2+][C@@H](c2ncccn2)C1 ZINC000616653760 351194957 /nfs/dbraw/zinc/19/49/57/351194957.db2.gz IIEPVWZITOVZFN-SECBINFHSA-N 2 2 207.281 -0.618 10 0 BBAELP [NH3+]CCN1CC[NH2+][C@@H](OC(F)(F)F)C1 ZINC000616657011 351197436 /nfs/dbraw/zinc/19/74/36/351197436.db2.gz XDRSQDHKUVFRJN-LURJTMIESA-N 2 2 213.203 -0.287 10 0 BBAELP [NH3+]CCN1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616661383 351209741 /nfs/dbraw/zinc/20/97/41/351209741.db2.gz QZMFQZGGVGVUQR-JTQLQIEISA-N 2 2 210.281 -0.285 10 0 BBAELP OCC[N@H+]1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616661462 351210021 /nfs/dbraw/zinc/21/00/21/351210021.db2.gz SLJYPPFFTNCLGQ-JTQLQIEISA-N 2 2 211.265 -0.251 10 0 BBAELP OCC[N@@H+]1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616661462 351210018 /nfs/dbraw/zinc/21/00/18/351210018.db2.gz SLJYPPFFTNCLGQ-JTQLQIEISA-N 2 2 211.265 -0.251 10 0 BBAELP OCC[N@H+]1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616661466 351209838 /nfs/dbraw/zinc/20/98/38/351209838.db2.gz SLJYPPFFTNCLGQ-SNVBAGLBSA-N 2 2 211.265 -0.251 10 0 BBAELP OCC[N@@H+]1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616661466 351209835 /nfs/dbraw/zinc/20/98/35/351209835.db2.gz SLJYPPFFTNCLGQ-SNVBAGLBSA-N 2 2 211.265 -0.251 10 0 BBAELP [NH3+]CCN1CCOC[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616661519 351209789 /nfs/dbraw/zinc/20/97/89/351209789.db2.gz TZIVJIPOMMPUEL-VIFPVBQESA-N 2 2 210.281 -0.216 10 0 BBAELP OCC[N@H+]1CCOC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616661729 351212521 /nfs/dbraw/zinc/21/25/21/351212521.db2.gz XGBKLOGWUSFVMY-VIFPVBQESA-N 2 2 211.265 -0.182 10 0 BBAELP OCC[N@@H+]1CCOC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616661729 351212519 /nfs/dbraw/zinc/21/25/19/351212519.db2.gz XGBKLOGWUSFVMY-VIFPVBQESA-N 2 2 211.265 -0.182 10 0 BBAELP OCC[N@H+]1CCOC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616661982 351212189 /nfs/dbraw/zinc/21/21/89/351212189.db2.gz XGBKLOGWUSFVMY-SECBINFHSA-N 2 2 211.265 -0.182 10 0 BBAELP OCC[N@@H+]1CCOC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616661982 351212187 /nfs/dbraw/zinc/21/21/87/351212187.db2.gz XGBKLOGWUSFVMY-SECBINFHSA-N 2 2 211.265 -0.182 10 0 BBAELP [NH3+]CCN1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616664220 351219263 /nfs/dbraw/zinc/21/92/63/351219263.db2.gz QZMFQZGGVGVUQR-SNVBAGLBSA-N 2 2 210.281 -0.285 10 0 BBAELP [NH3+]CCN1CCOC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616664274 351219317 /nfs/dbraw/zinc/21/93/17/351219317.db2.gz TZIVJIPOMMPUEL-SECBINFHSA-N 2 2 210.281 -0.216 10 0 BBAELP CN(CC[N@H+](C)CCO)Cc1[nH+]ccn1C ZINC000623090976 350861979 /nfs/dbraw/zinc/86/19/79/350861979.db2.gz IJMQKBDSUDVUTP-UHFFFAOYSA-N 2 2 226.324 -0.224 10 0 BBAELP CN(CC[N@@H+](C)CCO)Cc1c[nH+]cn1C ZINC000623091339 350872674 /nfs/dbraw/zinc/87/26/74/350872674.db2.gz ZLQICMVSVOZGPA-UHFFFAOYSA-N 2 2 226.324 -0.224 10 0 BBAELP CN(CC[N@H+](C)CCO)Cc1c[nH+]cn1C ZINC000623091339 350872671 /nfs/dbraw/zinc/87/26/71/350872671.db2.gz ZLQICMVSVOZGPA-UHFFFAOYSA-N 2 2 226.324 -0.224 10 0 BBAELP CN(CC[N@@H+](C)CCO)Cc1[nH]cc[nH+]1 ZINC000623091746 350875861 /nfs/dbraw/zinc/87/58/61/350875861.db2.gz QQCYVMPCPHJIRL-UHFFFAOYSA-N 2 2 212.297 -0.234 10 0 BBAELP CN(CC[N@H+](C)CCO)Cc1[nH]cc[nH+]1 ZINC000623091746 350875859 /nfs/dbraw/zinc/87/58/59/350875859.db2.gz QQCYVMPCPHJIRL-UHFFFAOYSA-N 2 2 212.297 -0.234 10 0 BBAELP CCc1nnc(C[N@@H+](C)CCOCC[NH3+])n1C ZINC000629576757 361468319 /nfs/dbraw/zinc/46/83/19/361468319.db2.gz CJQVNWZYVSROPD-UHFFFAOYSA-N 2 2 241.339 -0.215 10 0 BBAELP CCc1nnc(C[N@H+](C)CCOCC[NH3+])n1C ZINC000629576757 361468313 /nfs/dbraw/zinc/46/83/13/361468313.db2.gz CJQVNWZYVSROPD-UHFFFAOYSA-N 2 2 241.339 -0.215 10 0 BBAELP CO[C@H]1C[N@@H+](CCn2cncn2)[C@@](C)(C[NH3+])C1 ZINC000630368743 364086391 /nfs/dbraw/zinc/08/63/91/364086391.db2.gz UHHRZFKRGAZQFE-GHMZBOCLSA-N 2 2 239.323 -0.284 10 0 BBAELP CO[C@H]1C[N@H+](CCn2cncn2)[C@@](C)(C[NH3+])C1 ZINC000630368743 364086389 /nfs/dbraw/zinc/08/63/89/364086389.db2.gz UHHRZFKRGAZQFE-GHMZBOCLSA-N 2 2 239.323 -0.284 10 0 BBAELP CO[C@H]1C[N@@H+](CCn2cncn2)[C@](C)(C[NH3+])C1 ZINC000630368744 364086777 /nfs/dbraw/zinc/08/67/77/364086777.db2.gz UHHRZFKRGAZQFE-MNOVXSKESA-N 2 2 239.323 -0.284 10 0 BBAELP CO[C@H]1C[N@H+](CCn2cncn2)[C@](C)(C[NH3+])C1 ZINC000630368744 364086771 /nfs/dbraw/zinc/08/67/71/364086771.db2.gz UHHRZFKRGAZQFE-MNOVXSKESA-N 2 2 239.323 -0.284 10 0 BBAELP CO[C@@H]1C[N@@H+](CCn2cncn2)[C@](C)(C[NH3+])C1 ZINC000630368746 364086495 /nfs/dbraw/zinc/08/64/95/364086495.db2.gz UHHRZFKRGAZQFE-QWRGUYRKSA-N 2 2 239.323 -0.284 10 0 BBAELP CO[C@@H]1C[N@H+](CCn2cncn2)[C@](C)(C[NH3+])C1 ZINC000630368746 364086493 /nfs/dbraw/zinc/08/64/93/364086493.db2.gz UHHRZFKRGAZQFE-QWRGUYRKSA-N 2 2 239.323 -0.284 10 0 BBAELP CO[C@@H]1C[N@@H+](CCn2cncn2)[C@@](C)(C[NH3+])C1 ZINC000630368748 364086523 /nfs/dbraw/zinc/08/65/23/364086523.db2.gz UHHRZFKRGAZQFE-WDEREUQCSA-N 2 2 239.323 -0.284 10 0 BBAELP CO[C@@H]1C[N@H+](CCn2cncn2)[C@@](C)(C[NH3+])C1 ZINC000630368748 364086522 /nfs/dbraw/zinc/08/65/22/364086522.db2.gz UHHRZFKRGAZQFE-WDEREUQCSA-N 2 2 239.323 -0.284 10 0 BBAELP C[C@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C[NH3+] ZINC000631837937 372630024 /nfs/dbraw/zinc/63/00/24/372630024.db2.gz HHOCCIVLBHGTFS-JGVFFNPUSA-N 2 2 210.285 -0.763 10 0 BBAELP C[C@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C[NH3+] ZINC000631837937 372630021 /nfs/dbraw/zinc/63/00/21/372630021.db2.gz HHOCCIVLBHGTFS-JGVFFNPUSA-N 2 2 210.285 -0.763 10 0 BBAELP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@@H]1C[NH3+] ZINC000631837938 372629323 /nfs/dbraw/zinc/62/93/23/372629323.db2.gz HHOCCIVLBHGTFS-SFYZADRCSA-N 2 2 210.285 -0.763 10 0 BBAELP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@@H]1C[NH3+] ZINC000631837938 372629314 /nfs/dbraw/zinc/62/93/14/372629314.db2.gz HHOCCIVLBHGTFS-SFYZADRCSA-N 2 2 210.285 -0.763 10 0 BBAELP C[C@H]1C[N@@H+](Cc2nnnn2C)C[C@@H]1C[NH3+] ZINC000631837940 372629042 /nfs/dbraw/zinc/62/90/42/372629042.db2.gz HHOCCIVLBHGTFS-YUMQZZPRSA-N 2 2 210.285 -0.763 10 0 BBAELP C[C@H]1C[N@H+](Cc2nnnn2C)C[C@@H]1C[NH3+] ZINC000631837940 372629036 /nfs/dbraw/zinc/62/90/36/372629036.db2.gz HHOCCIVLBHGTFS-YUMQZZPRSA-N 2 2 210.285 -0.763 10 0 BBAELP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@@H]1C[NH3+] ZINC000631838260 372631770 /nfs/dbraw/zinc/63/17/70/372631770.db2.gz LDTGSPIVZWLORP-BDAKNGLRSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@@H]1C[NH3+] ZINC000631838260 372631766 /nfs/dbraw/zinc/63/17/66/372631766.db2.gz LDTGSPIVZWLORP-BDAKNGLRSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C[NH3+] ZINC000631838261 372623347 /nfs/dbraw/zinc/62/33/47/372623347.db2.gz LDTGSPIVZWLORP-DTWKUNHWSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@H+](Cc2nncn2C)C[C@H]1C[NH3+] ZINC000631838261 372623341 /nfs/dbraw/zinc/62/33/41/372623341.db2.gz LDTGSPIVZWLORP-DTWKUNHWSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@@H+](Cc2nncn2C)C[C@@H]1C[NH3+] ZINC000631838262 372623323 /nfs/dbraw/zinc/62/33/23/372623323.db2.gz LDTGSPIVZWLORP-IUCAKERBSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@H+](Cc2nncn2C)C[C@@H]1C[NH3+] ZINC000631838262 372623316 /nfs/dbraw/zinc/62/33/16/372623316.db2.gz LDTGSPIVZWLORP-IUCAKERBSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000631838430 372632233 /nfs/dbraw/zinc/63/22/33/372632233.db2.gz OAQQHDRVKUEFJV-BDAKNGLRSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000631838430 372632228 /nfs/dbraw/zinc/63/22/28/372632228.db2.gz OAQQHDRVKUEFJV-BDAKNGLRSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000631838431 372631683 /nfs/dbraw/zinc/63/16/83/372631683.db2.gz OAQQHDRVKUEFJV-DTWKUNHWSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C[NH3+] ZINC000631838431 372631679 /nfs/dbraw/zinc/63/16/79/372631679.db2.gz OAQQHDRVKUEFJV-DTWKUNHWSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000631838432 372632469 /nfs/dbraw/zinc/63/24/69/372632469.db2.gz OAQQHDRVKUEFJV-IUCAKERBSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@H+](Cc2ncnn2C)C[C@@H]1C[NH3+] ZINC000631838432 372632466 /nfs/dbraw/zinc/63/24/66/372632466.db2.gz OAQQHDRVKUEFJV-IUCAKERBSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000631840980 372639248 /nfs/dbraw/zinc/63/92/48/372639248.db2.gz XMZKKOXOXMLGLM-UWVGGRQHSA-N 2 2 234.365 -0.052 10 0 BBAELP C[C@H]1C[N@H+](CCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000631840980 372639241 /nfs/dbraw/zinc/63/92/41/372639241.db2.gz XMZKKOXOXMLGLM-UWVGGRQHSA-N 2 2 234.365 -0.052 10 0 BBAELP C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631841049 372638880 /nfs/dbraw/zinc/63/88/80/372638880.db2.gz XMZKKOXOXMLGLM-VHSXEESVSA-N 2 2 234.365 -0.052 10 0 BBAELP C[C@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631841049 372638874 /nfs/dbraw/zinc/63/88/74/372638874.db2.gz XMZKKOXOXMLGLM-VHSXEESVSA-N 2 2 234.365 -0.052 10 0 BBAELP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000631841050 372639362 /nfs/dbraw/zinc/63/93/62/372639362.db2.gz XMZKKOXOXMLGLM-ZJUUUORDSA-N 2 2 234.365 -0.052 10 0 BBAELP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000631841050 372639358 /nfs/dbraw/zinc/63/93/58/372639358.db2.gz XMZKKOXOXMLGLM-ZJUUUORDSA-N 2 2 234.365 -0.052 10 0 BBAELP Cc1cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)nc[nH+]1 ZINC000634810861 344395923 /nfs/dbraw/zinc/39/59/23/344395923.db2.gz KZUVMSIBZXVNBM-VHSXEESVSA-N 2 2 220.276 -0.038 10 0 BBAELP Cc1nc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc[nH+]1 ZINC000634810899 344395942 /nfs/dbraw/zinc/39/59/42/344395942.db2.gz MMGAVVRVOKIPIN-VHSXEESVSA-N 2 2 220.276 -0.038 10 0 BBAELP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000634999225 345199801 /nfs/dbraw/zinc/19/98/01/345199801.db2.gz RJNAAJJYLDGZAG-BDAKNGLRSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000634999225 345199799 /nfs/dbraw/zinc/19/97/99/345199799.db2.gz RJNAAJJYLDGZAG-BDAKNGLRSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000634999226 345198999 /nfs/dbraw/zinc/19/89/99/345198999.db2.gz RJNAAJJYLDGZAG-DTWKUNHWSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C[NH3+] ZINC000634999226 345198997 /nfs/dbraw/zinc/19/89/97/345198997.db2.gz RJNAAJJYLDGZAG-DTWKUNHWSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@@H+](Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000634999227 345199790 /nfs/dbraw/zinc/19/97/90/345199790.db2.gz RJNAAJJYLDGZAG-IUCAKERBSA-N 2 2 209.297 -0.158 10 0 BBAELP C[C@H]1C[N@H+](Cc2cn(C)nn2)C[C@@H]1C[NH3+] ZINC000634999227 345199789 /nfs/dbraw/zinc/19/97/89/345199789.db2.gz RJNAAJJYLDGZAG-IUCAKERBSA-N 2 2 209.297 -0.158 10 0 BBAELP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000638274765 352109965 /nfs/dbraw/zinc/10/99/65/352109965.db2.gz HATQMNUNZSQCPM-NXEZZACHSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000638274765 352109962 /nfs/dbraw/zinc/10/99/62/352109962.db2.gz HATQMNUNZSQCPM-NXEZZACHSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000638274766 352110248 /nfs/dbraw/zinc/11/02/48/352110248.db2.gz HATQMNUNZSQCPM-UWVGGRQHSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000638274766 352110247 /nfs/dbraw/zinc/11/02/47/352110247.db2.gz HATQMNUNZSQCPM-UWVGGRQHSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000638274767 352109772 /nfs/dbraw/zinc/10/97/72/352109772.db2.gz HATQMNUNZSQCPM-VHSXEESVSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000638274767 352109770 /nfs/dbraw/zinc/10/97/70/352109770.db2.gz HATQMNUNZSQCPM-VHSXEESVSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000638274769 352110232 /nfs/dbraw/zinc/11/02/32/352110232.db2.gz HATQMNUNZSQCPM-ZJUUUORDSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000638274769 352110230 /nfs/dbraw/zinc/11/02/30/352110230.db2.gz HATQMNUNZSQCPM-ZJUUUORDSA-N 2 2 229.324 -0.569 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638277803 352114084 /nfs/dbraw/zinc/11/40/84/352114084.db2.gz VZRLZSBLMOAJSA-LLVKDONJSA-N 2 2 241.335 -0.567 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638277803 352114081 /nfs/dbraw/zinc/11/40/81/352114081.db2.gz VZRLZSBLMOAJSA-LLVKDONJSA-N 2 2 241.335 -0.567 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638277804 352113863 /nfs/dbraw/zinc/11/38/63/352113863.db2.gz VZRLZSBLMOAJSA-NSHDSACASA-N 2 2 241.335 -0.567 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638277804 352113859 /nfs/dbraw/zinc/11/38/59/352113859.db2.gz VZRLZSBLMOAJSA-NSHDSACASA-N 2 2 241.335 -0.567 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638278071 352114737 /nfs/dbraw/zinc/11/47/37/352114737.db2.gz WNSIOYHRWFDSCX-GHMZBOCLSA-N 2 2 239.319 -0.519 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638278071 352114733 /nfs/dbraw/zinc/11/47/33/352114733.db2.gz WNSIOYHRWFDSCX-GHMZBOCLSA-N 2 2 239.319 -0.519 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638278072 352114705 /nfs/dbraw/zinc/11/47/05/352114705.db2.gz WNSIOYHRWFDSCX-MNOVXSKESA-N 2 2 239.319 -0.519 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638278072 352114702 /nfs/dbraw/zinc/11/47/02/352114702.db2.gz WNSIOYHRWFDSCX-MNOVXSKESA-N 2 2 239.319 -0.519 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638278077 352114495 /nfs/dbraw/zinc/11/44/95/352114495.db2.gz WNSIOYHRWFDSCX-QWRGUYRKSA-N 2 2 239.319 -0.519 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638278077 352114491 /nfs/dbraw/zinc/11/44/91/352114491.db2.gz WNSIOYHRWFDSCX-QWRGUYRKSA-N 2 2 239.319 -0.519 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638278079 352114482 /nfs/dbraw/zinc/11/44/82/352114482.db2.gz WNSIOYHRWFDSCX-WDEREUQCSA-N 2 2 239.319 -0.519 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638278079 352114478 /nfs/dbraw/zinc/11/44/78/352114478.db2.gz WNSIOYHRWFDSCX-WDEREUQCSA-N 2 2 239.319 -0.519 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608388 386170027 /nfs/dbraw/zinc/17/00/27/386170027.db2.gz ASHBCASWJQSYGY-GHMZBOCLSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608388 386170022 /nfs/dbraw/zinc/17/00/22/386170022.db2.gz ASHBCASWJQSYGY-GHMZBOCLSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608389 386171263 /nfs/dbraw/zinc/17/12/63/386171263.db2.gz ASHBCASWJQSYGY-MNOVXSKESA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608389 386171261 /nfs/dbraw/zinc/17/12/61/386171261.db2.gz ASHBCASWJQSYGY-MNOVXSKESA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608390 386170062 /nfs/dbraw/zinc/17/00/62/386170062.db2.gz ASHBCASWJQSYGY-QWRGUYRKSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608390 386170056 /nfs/dbraw/zinc/17/00/56/386170056.db2.gz ASHBCASWJQSYGY-QWRGUYRKSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608391 352445030 /nfs/dbraw/zinc/44/50/30/352445030.db2.gz ASHBCASWJQSYGY-WDEREUQCSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608391 352445027 /nfs/dbraw/zinc/44/50/27/352445027.db2.gz ASHBCASWJQSYGY-WDEREUQCSA-N 2 2 243.351 -0.193 10 0 BBAELP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638608892 352445950 /nfs/dbraw/zinc/44/59/50/352445950.db2.gz CYSZOYSMXRPLPD-NXEZZACHSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638608892 352445946 /nfs/dbraw/zinc/44/59/46/352445946.db2.gz CYSZOYSMXRPLPD-NXEZZACHSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638608893 352446034 /nfs/dbraw/zinc/44/60/34/352446034.db2.gz CYSZOYSMXRPLPD-UWVGGRQHSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638608893 352446032 /nfs/dbraw/zinc/44/60/32/352446032.db2.gz CYSZOYSMXRPLPD-UWVGGRQHSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638608895 352446001 /nfs/dbraw/zinc/44/60/01/352446001.db2.gz CYSZOYSMXRPLPD-VHSXEESVSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638608895 352445996 /nfs/dbraw/zinc/44/59/96/352445996.db2.gz CYSZOYSMXRPLPD-VHSXEESVSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638608897 352446134 /nfs/dbraw/zinc/44/61/34/352446134.db2.gz CYSZOYSMXRPLPD-ZJUUUORDSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638608897 352446130 /nfs/dbraw/zinc/44/61/30/352446130.db2.gz CYSZOYSMXRPLPD-ZJUUUORDSA-N 2 2 227.308 -0.957 10 0 BBAELP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638609186 352446659 /nfs/dbraw/zinc/44/66/59/352446659.db2.gz FJUPKWWBDVSXTF-AXFHLTTASA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638609186 352446657 /nfs/dbraw/zinc/44/66/57/352446657.db2.gz FJUPKWWBDVSXTF-AXFHLTTASA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638609188 352446687 /nfs/dbraw/zinc/44/66/87/352446687.db2.gz FJUPKWWBDVSXTF-DCAQKATOSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638609188 352446685 /nfs/dbraw/zinc/44/66/85/352446685.db2.gz FJUPKWWBDVSXTF-DCAQKATOSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638609191 352447237 /nfs/dbraw/zinc/44/72/37/352447237.db2.gz FJUPKWWBDVSXTF-MXWKQRLJSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638609191 352447233 /nfs/dbraw/zinc/44/72/33/352447233.db2.gz FJUPKWWBDVSXTF-MXWKQRLJSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638609194 352447152 /nfs/dbraw/zinc/44/71/52/352447152.db2.gz FJUPKWWBDVSXTF-VWYCJHECSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638609194 352447146 /nfs/dbraw/zinc/44/71/46/352447146.db2.gz FJUPKWWBDVSXTF-VWYCJHECSA-N 2 2 241.335 -0.439 10 0 BBAELP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638609702 352445901 /nfs/dbraw/zinc/44/59/01/352445901.db2.gz GPENQPOHOHURED-QWRGUYRKSA-N 2 2 241.335 -0.567 10 0 BBAELP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638609702 352445896 /nfs/dbraw/zinc/44/58/96/352445896.db2.gz GPENQPOHOHURED-QWRGUYRKSA-N 2 2 241.335 -0.567 10 0 BBAELP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638609706 352445846 /nfs/dbraw/zinc/44/58/46/352445846.db2.gz GPENQPOHOHURED-WDEREUQCSA-N 2 2 241.335 -0.567 10 0 BBAELP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638609706 352445844 /nfs/dbraw/zinc/44/58/44/352445844.db2.gz GPENQPOHOHURED-WDEREUQCSA-N 2 2 241.335 -0.567 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609818 352448314 /nfs/dbraw/zinc/44/83/14/352448314.db2.gz HDLRSHSNHKRANU-GMTAPVOTSA-N 2 2 241.335 -0.711 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609818 352448311 /nfs/dbraw/zinc/44/83/11/352448311.db2.gz HDLRSHSNHKRANU-GMTAPVOTSA-N 2 2 241.335 -0.711 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609825 352448614 /nfs/dbraw/zinc/44/86/14/352448614.db2.gz HDLRSHSNHKRANU-OUAUKWLOSA-N 2 2 241.335 -0.711 10 0 BBAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609825 352448612 /nfs/dbraw/zinc/44/86/12/352448612.db2.gz HDLRSHSNHKRANU-OUAUKWLOSA-N 2 2 241.335 -0.711 10 0 BBAELP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638610132 352448762 /nfs/dbraw/zinc/44/87/62/352448762.db2.gz IQYPKIYDJVQEIX-GHMZBOCLSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638610132 352448760 /nfs/dbraw/zinc/44/87/60/352448760.db2.gz IQYPKIYDJVQEIX-GHMZBOCLSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638610140 352448257 /nfs/dbraw/zinc/44/82/57/352448257.db2.gz IQYPKIYDJVQEIX-WDEREUQCSA-N 2 2 243.351 -0.193 10 0 BBAELP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638610140 352448253 /nfs/dbraw/zinc/44/82/53/352448253.db2.gz IQYPKIYDJVQEIX-WDEREUQCSA-N 2 2 243.351 -0.193 10 0 BBAELP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612332 352452113 /nfs/dbraw/zinc/45/21/13/352452113.db2.gz UQMLCYZSAQFMAD-GARJFASQSA-N 2 2 243.351 -0.193 10 0 BBAELP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612335 352452032 /nfs/dbraw/zinc/45/20/32/352452032.db2.gz UQMLCYZSAQFMAD-HBNTYKKESA-N 2 2 243.351 -0.193 10 0 BBAELP C[NH2+][C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612946 352451136 /nfs/dbraw/zinc/45/11/36/352451136.db2.gz YPYIMWALTINAAM-BDAKNGLRSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612946 352451135 /nfs/dbraw/zinc/45/11/35/352451135.db2.gz YPYIMWALTINAAM-BDAKNGLRSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612949 352450977 /nfs/dbraw/zinc/45/09/77/352450977.db2.gz YPYIMWALTINAAM-RKDXNWHRSA-N 2 2 215.297 -0.959 10 0 BBAELP C[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612949 352450976 /nfs/dbraw/zinc/45/09/76/352450976.db2.gz YPYIMWALTINAAM-RKDXNWHRSA-N 2 2 215.297 -0.959 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638613199 538025182 /nfs/dbraw/zinc/02/51/82/538025182.db2.gz FQFKNWSEUFNOKJ-NXEZZACHSA-N 2 2 229.324 -0.439 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638613199 538025177 /nfs/dbraw/zinc/02/51/77/538025177.db2.gz FQFKNWSEUFNOKJ-NXEZZACHSA-N 2 2 229.324 -0.439 10 0 BBAELP CCC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638613200 538025317 /nfs/dbraw/zinc/02/53/17/538025317.db2.gz FQFKNWSEUFNOKJ-UWVGGRQHSA-N 2 2 229.324 -0.439 10 0 BBAELP CCC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638613200 538025312 /nfs/dbraw/zinc/02/53/12/538025312.db2.gz FQFKNWSEUFNOKJ-UWVGGRQHSA-N 2 2 229.324 -0.439 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638613201 538025092 /nfs/dbraw/zinc/02/50/92/538025092.db2.gz FQFKNWSEUFNOKJ-VHSXEESVSA-N 2 2 229.324 -0.439 10 0 BBAELP CCC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638613201 538025086 /nfs/dbraw/zinc/02/50/86/538025086.db2.gz FQFKNWSEUFNOKJ-VHSXEESVSA-N 2 2 229.324 -0.439 10 0 BBAELP CCC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638613202 538025114 /nfs/dbraw/zinc/02/51/14/538025114.db2.gz FQFKNWSEUFNOKJ-ZJUUUORDSA-N 2 2 229.324 -0.439 10 0 BBAELP CCC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638613202 538025109 /nfs/dbraw/zinc/02/51/09/538025109.db2.gz FQFKNWSEUFNOKJ-ZJUUUORDSA-N 2 2 229.324 -0.439 10 0 BBAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000639016848 411167892 /nfs/dbraw/zinc/16/78/92/411167892.db2.gz OIRYWHNXFQKXQW-SECBINFHSA-N 2 2 238.291 -0.396 10 0 BBAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000639016849 411167859 /nfs/dbraw/zinc/16/78/59/411167859.db2.gz OIRYWHNXFQKXQW-VIFPVBQESA-N 2 2 238.291 -0.396 10 0 BBAELP COC[C@@]1(C(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000643767647 385035437 /nfs/dbraw/zinc/03/54/37/385035437.db2.gz GHJPOURLCLRPPS-GFCCVEGCSA-N 2 2 241.335 -0.471 10 0 BBAELP COC[C@]1(C(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000643767648 385035472 /nfs/dbraw/zinc/03/54/72/385035472.db2.gz GHJPOURLCLRPPS-LBPRGKRZSA-N 2 2 241.335 -0.471 10 0 BBAELP COC[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000643779454 384059396 /nfs/dbraw/zinc/05/93/96/384059396.db2.gz BVDYLXUCCGUHSU-LLVKDONJSA-N 2 2 238.291 -0.206 10 0 BBAELP COC[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000643779454 384059391 /nfs/dbraw/zinc/05/93/91/384059391.db2.gz BVDYLXUCCGUHSU-LLVKDONJSA-N 2 2 238.291 -0.206 10 0 BBAELP COC[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000643779455 384058045 /nfs/dbraw/zinc/05/80/45/384058045.db2.gz BVDYLXUCCGUHSU-NSHDSACASA-N 2 2 238.291 -0.206 10 0 BBAELP COC[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000643779455 384058039 /nfs/dbraw/zinc/05/80/39/384058039.db2.gz BVDYLXUCCGUHSU-NSHDSACASA-N 2 2 238.291 -0.206 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645807069 387952250 /nfs/dbraw/zinc/95/22/50/387952250.db2.gz ZZKCFPAZEWTBMY-NXEZZACHSA-N 2 2 241.335 -0.569 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645807069 387952245 /nfs/dbraw/zinc/95/22/45/387952245.db2.gz 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ZINC000645807072 387951510 /nfs/dbraw/zinc/95/15/10/387951510.db2.gz ZZKCFPAZEWTBMY-ZJUUUORDSA-N 2 2 241.335 -0.569 10 0 BBAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000647971740 386510765 /nfs/dbraw/zinc/51/07/65/386510765.db2.gz VINHKIMBEVZPCQ-UTUOFQBUSA-N 2 2 246.351 -0.885 10 0 BBAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000647971740 386510760 /nfs/dbraw/zinc/51/07/60/386510760.db2.gz VINHKIMBEVZPCQ-UTUOFQBUSA-N 2 2 246.351 -0.885 10 0 BBAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1CO ZINC000647971740 386510757 /nfs/dbraw/zinc/51/07/57/386510757.db2.gz VINHKIMBEVZPCQ-UTUOFQBUSA-N 2 2 246.351 -0.885 10 0 BBAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1CO ZINC000647971740 386510753 /nfs/dbraw/zinc/51/07/53/386510753.db2.gz VINHKIMBEVZPCQ-UTUOFQBUSA-N 2 2 246.351 -0.885 10 0 BBAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000647971741 386509715 /nfs/dbraw/zinc/50/97/15/386509715.db2.gz VINHKIMBEVZPCQ-WOPDTQHZSA-N 2 2 246.351 -0.885 10 0 BBAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000647971741 386509708 /nfs/dbraw/zinc/50/97/08/386509708.db2.gz VINHKIMBEVZPCQ-WOPDTQHZSA-N 2 2 246.351 -0.885 10 0 BBAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1CO ZINC000647971741 386509703 /nfs/dbraw/zinc/50/97/03/386509703.db2.gz VINHKIMBEVZPCQ-WOPDTQHZSA-N 2 2 246.351 -0.885 10 0 BBAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@H]1CO ZINC000647971741 386509699 /nfs/dbraw/zinc/50/96/99/386509699.db2.gz VINHKIMBEVZPCQ-WOPDTQHZSA-N 2 2 246.351 -0.885 10 0 BBAELP O=C(NCCn1cc[nH+]c1)[C@H]1C[NH2+]CCOC1 ZINC000649279640 388507381 /nfs/dbraw/zinc/50/73/81/388507381.db2.gz GDKLXXAMCCVCLC-JTQLQIEISA-N 2 2 238.291 -0.765 10 0 BBAELP O=C(NCCn1cc[nH+]c1)[C@@H]1C[NH2+]CCOC1 ZINC000649279641 388507469 /nfs/dbraw/zinc/50/74/69/388507469.db2.gz GDKLXXAMCCVCLC-SNVBAGLBSA-N 2 2 238.291 -0.765 10 0 BBAELP Cc1c[nH+]ccc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649320701 398144181 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398218390 /nfs/dbraw/zinc/21/83/90/398218390.db2.gz GLODMKJWQNVOHA-UHFFFAOYSA-N 2 2 237.351 -0.021 10 0 BBAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCNC2=O)n1C ZINC000657523005 411540893 /nfs/dbraw/zinc/54/08/93/411540893.db2.gz JFGBSIHBJYSIGO-SECBINFHSA-N 2 2 237.307 -0.536 10 0 BBAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC000658055197 411221664 /nfs/dbraw/zinc/22/16/64/411221664.db2.gz RYKCEPPIGWXCQW-KXUCPTDWSA-N 2 2 211.309 -0.053 10 0 BBAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC000658055197 411221662 /nfs/dbraw/zinc/22/16/62/411221662.db2.gz RYKCEPPIGWXCQW-KXUCPTDWSA-N 2 2 211.309 -0.053 10 0 BBAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)CC[N@H+]1C ZINC000658055198 411221113 /nfs/dbraw/zinc/22/11/13/411221113.db2.gz RYKCEPPIGWXCQW-OPRDCNLKSA-N 2 2 211.309 -0.053 10 0 BBAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC000658055198 411221109 /nfs/dbraw/zinc/22/11/09/411221109.db2.gz RYKCEPPIGWXCQW-OPRDCNLKSA-N 2 2 211.309 -0.053 10 0 BBAELP COC[C@H](C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1)OC ZINC000662277250 412069845 /nfs/dbraw/zinc/06/98/45/412069845.db2.gz OCVWNEKNWOYHQZ-GUBZILKMSA-N 2 2 202.298 -0.073 10 0 BBAELP COC[C@H](C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1)OC ZINC000662277250 412069842 /nfs/dbraw/zinc/06/98/42/412069842.db2.gz OCVWNEKNWOYHQZ-GUBZILKMSA-N 2 2 202.298 -0.073 10 0 BBAELP COC[C@H](C[N@H+]1C[C@H](C)[C@H]([NH3+])C1)OC ZINC000662277252 412069888 /nfs/dbraw/zinc/06/98/88/412069888.db2.gz OCVWNEKNWOYHQZ-LPEHRKFASA-N 2 2 202.298 -0.073 10 0 BBAELP COC[C@H](C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1)OC ZINC000662277252 412069886 /nfs/dbraw/zinc/06/98/86/412069886.db2.gz OCVWNEKNWOYHQZ-LPEHRKFASA-N 2 2 202.298 -0.073 10 0 BBAELP COC[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)OC ZINC000662277253 412069880 /nfs/dbraw/zinc/06/98/80/412069880.db2.gz OCVWNEKNWOYHQZ-UTLUCORTSA-N 2 2 202.298 -0.073 10 0 BBAELP COC[C@H](C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1)OC ZINC000662277253 412069875 /nfs/dbraw/zinc/06/98/75/412069875.db2.gz OCVWNEKNWOYHQZ-UTLUCORTSA-N 2 2 202.298 -0.073 10 0 BBAELP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000662426334 412164992 /nfs/dbraw/zinc/16/49/92/412164992.db2.gz QAQGQEJYTOGRGC-NXEZZACHSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000662426334 412164990 /nfs/dbraw/zinc/16/49/90/412164990.db2.gz QAQGQEJYTOGRGC-NXEZZACHSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000662426336 412165794 /nfs/dbraw/zinc/16/57/94/412165794.db2.gz QAQGQEJYTOGRGC-UWVGGRQHSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000662426336 412165792 /nfs/dbraw/zinc/16/57/92/412165792.db2.gz QAQGQEJYTOGRGC-UWVGGRQHSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000662426337 412165080 /nfs/dbraw/zinc/16/50/80/412165080.db2.gz QAQGQEJYTOGRGC-VHSXEESVSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[C@@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000662426337 412165077 /nfs/dbraw/zinc/16/50/77/412165077.db2.gz QAQGQEJYTOGRGC-VHSXEESVSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000662426339 412165213 /nfs/dbraw/zinc/16/52/13/412165213.db2.gz QAQGQEJYTOGRGC-ZJUUUORDSA-N 2 2 229.324 -0.569 10 0 BBAELP CC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000662426339 412165209 /nfs/dbraw/zinc/16/52/09/412165209.db2.gz QAQGQEJYTOGRGC-ZJUUUORDSA-N 2 2 229.324 -0.569 10 0 BBAELP [NH3+][C@H]1C[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000662709280 412278092 /nfs/dbraw/zinc/27/80/92/412278092.db2.gz AKYRJMVDQYMYDN-KYZUINATSA-N 2 2 220.276 -0.037 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662789515 412302549 /nfs/dbraw/zinc/30/25/49/412302549.db2.gz YPKDCBNIKWJJAD-GUBZILKMSA-N 2 2 227.308 -0.830 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662789515 412302547 /nfs/dbraw/zinc/30/25/47/412302547.db2.gz YPKDCBNIKWJJAD-GUBZILKMSA-N 2 2 227.308 -0.830 10 0 BBAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662789516 412302527 /nfs/dbraw/zinc/30/25/27/412302527.db2.gz YPKDCBNIKWJJAD-OPRDCNLKSA-N 2 2 227.308 -0.830 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662789516 412302524 /nfs/dbraw/zinc/30/25/24/412302524.db2.gz YPKDCBNIKWJJAD-OPRDCNLKSA-N 2 2 227.308 -0.830 10 0 BBAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCNC1=O ZINC000665228995 412165542 /nfs/dbraw/zinc/16/55/42/412165542.db2.gz NFZPYHMEJYJDPG-KXUCPTDWSA-N 2 2 227.308 -0.769 10 0 BBAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCNC1=O ZINC000665228996 412166032 /nfs/dbraw/zinc/16/60/32/412166032.db2.gz NFZPYHMEJYJDPG-OPRDCNLKSA-N 2 2 227.308 -0.769 10 0 BBAELP [NH3+]C[C@@H]1C[NH2+]C[C@H](C[NH+]2CCOCC2)C1 ZINC000669379211 537975977 /nfs/dbraw/zinc/97/59/77/537975977.db2.gz XLSGSZGOEUBWNK-GHMZBOCLSA-N 3 2 213.325 -0.497 10 0 BBAELP [NH3+]C[C@@H]1C[NH2+]C[C@@H](C[NH+]2CCOCC2)C1 ZINC000669379213 537976921 /nfs/dbraw/zinc/97/69/21/537976921.db2.gz XLSGSZGOEUBWNK-MNOVXSKESA-N 3 2 213.325 -0.497 10 0 BBAELP [NH3+]C[C@H]1C[NH2+]C[C@@H](C[NH+]2CCOCC2)C1 ZINC000669379214 537977353 /nfs/dbraw/zinc/97/73/53/537977353.db2.gz XLSGSZGOEUBWNK-QWRGUYRKSA-N 3 2 213.325 -0.497 10 0 BBAELP [NH3+]C[C@H]1C[NH2+]C[C@H](C[NH+]2CCOCC2)C1 ZINC000669379215 537977775 /nfs/dbraw/zinc/97/77/75/537977775.db2.gz XLSGSZGOEUBWNK-WDEREUQCSA-N 3 2 213.325 -0.497 10 0 BBAELP C[NH+](C)CC(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000669380062 537985698 /nfs/dbraw/zinc/98/56/98/537985698.db2.gz HGCDSPIVMZKIPC-UHFFFAOYSA-N 3 2 228.340 -0.913 10 0 BBAELP C[NH+](C)CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000669380285 537986944 /nfs/dbraw/zinc/98/69/44/537986944.db2.gz KMKOZUAMJAPMPB-UHFFFAOYSA-N 3 2 228.340 -0.913 10 0 BBAELP COCC[NH2+]C[C@]1(O)CC[NH2+]CC1(F)F ZINC000669382103 538003294 /nfs/dbraw/zinc/00/32/94/538003294.db2.gz GLQSZVNNQLDZNB-MRVPVSSYSA-N 2 2 224.251 -0.418 10 0 BBAELP COCC[NH2+]C[C@@]1(O)CC[NH2+]CC1(F)F ZINC000669382104 538002548 /nfs/dbraw/zinc/00/25/48/538002548.db2.gz GLQSZVNNQLDZNB-QMMMGPOBSA-N 2 2 224.251 -0.418 10 0 BBAELP C[C@@H]1CC[C@@H](C2C[NH2+]C[NH2+]C2)[C@H](C(=O)[O-])[NH2+]1 ZINC000669385215 538019657 /nfs/dbraw/zinc/01/96/57/538019657.db2.gz MYAZIUHDYFYXDM-FKTZTGRPSA-N 2 2 227.308 -0.406 10 0 BBAELP C[C@@H]1CC[C@@H](C2C[NH2+]C[NH2+]C2)[C@@H](C(=O)[O-])[NH2+]1 ZINC000669385216 538020251 /nfs/dbraw/zinc/02/02/51/538020251.db2.gz MYAZIUHDYFYXDM-JEZHCXPESA-N 2 2 227.308 -0.406 10 0 BBAELP C[C@@H]1CC[C@H](C2C[NH2+]C[NH2+]C2)[C@@H](C(=O)[O-])[NH2+]1 ZINC000669385217 538019134 /nfs/dbraw/zinc/01/91/34/538019134.db2.gz MYAZIUHDYFYXDM-QNSHHTMESA-N 2 2 227.308 -0.406 10 0 BBAELP C[C@@H]1CC[C@H](C2C[NH2+]C[NH2+]C2)[C@H](C(=O)[O-])[NH2+]1 ZINC000669385218 538020235 /nfs/dbraw/zinc/02/02/35/538020235.db2.gz MYAZIUHDYFYXDM-SZEHBUNVSA-N 2 2 227.308 -0.406 10 0 BBAELP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000674878404 487640827 /nfs/dbraw/zinc/64/08/27/487640827.db2.gz KHCNUFWBSBIZJT-AAEUAGOBSA-N 2 2 241.379 -0.017 10 0 BBAELP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000674878405 487640873 /nfs/dbraw/zinc/64/08/73/487640873.db2.gz KHCNUFWBSBIZJT-DGCLKSJQSA-N 2 2 241.379 -0.017 10 0 BBAELP C[C@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000674878406 487640418 /nfs/dbraw/zinc/64/04/18/487640418.db2.gz KHCNUFWBSBIZJT-WCQYABFASA-N 2 2 241.379 -0.017 10 0 BBAELP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000674878407 487640765 /nfs/dbraw/zinc/64/07/65/487640765.db2.gz KHCNUFWBSBIZJT-YPMHNXCESA-N 2 2 241.379 -0.017 10 0 BBAELP CCN1C(=O)CO[C@H](C[NH3+])[C@@H]1c1[nH+]ccn1C ZINC000675058671 538482122 /nfs/dbraw/zinc/48/21/22/538482122.db2.gz RTLDJGLMOCKORV-PSASIEDQSA-N 2 2 238.291 -0.333 10 0 BBAELP CCN1C(=O)CO[C@@H](C[NH3+])[C@@H]1c1[nH+]ccn1C ZINC000675058672 538482326 /nfs/dbraw/zinc/48/23/26/538482326.db2.gz RTLDJGLMOCKORV-WCBMZHEXSA-N 2 2 238.291 -0.333 10 0 BBAELP CCN1C(=O)CO[C@@H](C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000675058673 538482012 /nfs/dbraw/zinc/48/20/12/538482012.db2.gz RTLDJGLMOCKORV-WPRPVWTQSA-N 2 2 238.291 -0.333 10 0 BBAELP [NH3+][C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC000675062748 538489220 /nfs/dbraw/zinc/48/92/20/538489220.db2.gz NTWZKEKMPODGHL-SSDOTTSWSA-N 2 2 204.295 -0.888 10 0 BBAELP [NH3+][C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC000675062749 538489216 /nfs/dbraw/zinc/48/92/16/538489216.db2.gz NTWZKEKMPODGHL-ZETCQYMHSA-N 2 2 204.295 -0.888 10 0 BBAELP [NH3+]Cc1cccc([C@@H]2CNC(=O)C[NH2+]2)c1 ZINC000675069959 538499546 /nfs/dbraw/zinc/49/95/46/538499546.db2.gz NIQYWIWEBZVUHV-JTQLQIEISA-N 2 2 205.261 -0.094 10 0 BBAELP [NH3+]Cc1cccc([C@H]2CNC(=O)C[NH2+]2)c1 ZINC000675069961 538498930 /nfs/dbraw/zinc/49/89/30/538498930.db2.gz NIQYWIWEBZVUHV-SNVBAGLBSA-N 2 2 205.261 -0.094 10 0 BBAELP Nc1cc[nH+]cc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675076625 538511071 /nfs/dbraw/zinc/51/10/71/538511071.db2.gz FFCDPWUQTPKUCG-JTQLQIEISA-N 3 2 204.277 -0.106 10 0 BBAELP Nc1cc[nH+]cc1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675076626 537892007 /nfs/dbraw/zinc/89/20/07/537892007.db2.gz FFCDPWUQTPKUCG-SNVBAGLBSA-N 3 2 204.277 -0.106 10 0 BBAELP CCn1nnnc1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077189 538512255 /nfs/dbraw/zinc/51/22/55/538512255.db2.gz AGLPSBPTPFKYAY-MRVPVSSYSA-N 2 2 208.269 -0.908 10 0 BBAELP CCn1nnnc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077190 538512298 /nfs/dbraw/zinc/51/22/98/538512298.db2.gz AGLPSBPTPFKYAY-QMMMGPOBSA-N 2 2 208.269 -0.908 10 0 BBAELP COc1nccnc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077215 538512780 /nfs/dbraw/zinc/51/27/80/538512780.db2.gz AZAKTRQZIZFEDL-MRVPVSSYSA-N 2 2 206.249 -0.201 10 0 BBAELP COc1nccnc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077216 538512059 /nfs/dbraw/zinc/51/20/59/538512059.db2.gz AZAKTRQZIZFEDL-QMMMGPOBSA-N 2 2 206.249 -0.201 10 0 BBAELP COc1cnc(C2=C[C@@H]([NH3+])C[NH2+]C2)cn1 ZINC000675077354 538512206 /nfs/dbraw/zinc/51/22/06/538512206.db2.gz CVWAKJZPAGZVTR-MRVPVSSYSA-N 2 2 206.249 -0.201 10 0 BBAELP COc1cnc(C2=C[C@H]([NH3+])C[NH2+]C2)cn1 ZINC000675077356 538512891 /nfs/dbraw/zinc/51/28/91/538512891.db2.gz CVWAKJZPAGZVTR-QMMMGPOBSA-N 2 2 206.249 -0.201 10 0 BBAELP Cc1nc(CC2=C[C@@H]([NH3+])C[NH2+]C2)n(C)n1 ZINC000675077401 538512138 /nfs/dbraw/zinc/51/21/38/538512138.db2.gz DMXQTROBRQMIHK-SECBINFHSA-N 2 2 207.281 -0.477 10 0 BBAELP Cc1nc(CC2=C[C@H]([NH3+])C[NH2+]C2)n(C)n1 ZINC000675077402 538512314 /nfs/dbraw/zinc/51/23/14/538512314.db2.gz DMXQTROBRQMIHK-VIFPVBQESA-N 2 2 207.281 -0.477 10 0 BBAELP COc1cnn(C)c1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077767 538513525 /nfs/dbraw/zinc/51/35/25/538513525.db2.gz ICPPDIZJZAOVDO-MRVPVSSYSA-N 2 2 208.265 -0.257 10 0 BBAELP COc1cnn(C)c1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077768 538513468 /nfs/dbraw/zinc/51/34/68/538513468.db2.gz ICPPDIZJZAOVDO-QMMMGPOBSA-N 2 2 208.265 -0.257 10 0 BBAELP [NH3+][C@@H]1C=C(CC2CS(=O)(=O)C2)C[NH2+]C1 ZINC000675078151 538514774 /nfs/dbraw/zinc/51/47/74/538514774.db2.gz MYFXRUMSFOBBSW-SECBINFHSA-N 2 2 216.306 -0.722 10 0 BBAELP [NH3+][C@H]1C=C(CC2CS(=O)(=O)C2)C[NH2+]C1 ZINC000675078157 538514944 /nfs/dbraw/zinc/51/49/44/538514944.db2.gz MYFXRUMSFOBBSW-VIFPVBQESA-N 2 2 216.306 -0.722 10 0 BBAELP CCn1ncnc1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675078256 538516205 /nfs/dbraw/zinc/51/62/05/538516205.db2.gz OGRXQDUYAFPKPW-SECBINFHSA-N 2 2 207.281 -0.303 10 0 BBAELP CCn1ncnc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675078264 538516846 /nfs/dbraw/zinc/51/68/46/538516846.db2.gz OGRXQDUYAFPKPW-VIFPVBQESA-N 2 2 207.281 -0.303 10 0 BBAELP Cc1nnc(CC2=C[C@@H]([NH3+])C[NH2+]C2)n1C ZINC000675078370 538514984 /nfs/dbraw/zinc/51/49/84/538514984.db2.gz PCLBZWBYZNVYGI-SECBINFHSA-N 2 2 207.281 -0.477 10 0 BBAELP Cc1nnc(CC2=C[C@H]([NH3+])C[NH2+]C2)n1C ZINC000675078372 538514705 /nfs/dbraw/zinc/51/47/05/538514705.db2.gz PCLBZWBYZNVYGI-VIFPVBQESA-N 2 2 207.281 -0.477 10 0 BBAELP CCn1cc(CC2=C[C@@H]([NH3+])C[NH2+]C2)nn1 ZINC000675078803 538516600 /nfs/dbraw/zinc/51/66/00/538516600.db2.gz SVWMYYIQCQWPOB-SECBINFHSA-N 2 2 207.281 -0.303 10 0 BBAELP CCn1cc(CC2=C[C@H]([NH3+])C[NH2+]C2)nn1 ZINC000675078804 538516361 /nfs/dbraw/zinc/51/63/61/538516361.db2.gz SVWMYYIQCQWPOB-VIFPVBQESA-N 2 2 207.281 -0.303 10 0 BBAELP COc1ncc(C2=C[C@@H]([NH3+])C[NH2+]C2)cn1 ZINC000675079055 538518083 /nfs/dbraw/zinc/51/80/83/538518083.db2.gz VKDBWLILWQWYLX-SECBINFHSA-N 2 2 206.249 -0.201 10 0 BBAELP COc1ncc(C2=C[C@H]([NH3+])C[NH2+]C2)cn1 ZINC000675079056 538517376 /nfs/dbraw/zinc/51/73/76/538517376.db2.gz VKDBWLILWQWYLX-VIFPVBQESA-N 2 2 206.249 -0.201 10 0 BBAELP [NH3+][C@H]1C=C(C2CCS(=O)(=O)CC2)C[NH2+]C1 ZINC000675079091 538517613 /nfs/dbraw/zinc/51/76/13/538517613.db2.gz VXZCRWRFFFIHMZ-JTQLQIEISA-N 2 2 230.333 -0.332 10 0 BBAELP [NH3+][C@@H]1C=C(C2CCS(=O)(=O)CC2)C[NH2+]C1 ZINC000675079092 538518292 /nfs/dbraw/zinc/51/82/92/538518292.db2.gz VXZCRWRFFFIHMZ-SNVBAGLBSA-N 2 2 230.333 -0.332 10 0 BBAELP Cn1c[nH+]cc1-c1cnnn1C1C[NH2+]C1 ZINC000685952170 538896288 /nfs/dbraw/zinc/89/62/88/538896288.db2.gz YJSLNXNOFDBQMY-UHFFFAOYSA-N 2 2 204.237 -0.177 10 0 BBAELP C[N@@H+](C[C@@H](O)Cn1c[nH+]c(N)c1)C1CC1 ZINC000685964182 538910967 /nfs/dbraw/zinc/91/09/67/538910967.db2.gz INIDDJIUGLQPIM-SECBINFHSA-N 2 2 210.281 -0.080 10 0 BBAELP C[N@H+](C[C@@H](O)Cn1c[nH+]c(N)c1)C1CC1 ZINC000685964182 538910965 /nfs/dbraw/zinc/91/09/65/538910965.db2.gz INIDDJIUGLQPIM-SECBINFHSA-N 2 2 210.281 -0.080 10 0 BBAELP C[N@@H+](C[C@H](O)Cn1c[nH+]c(N)c1)C1CC1 ZINC000685964183 538910961 /nfs/dbraw/zinc/91/09/61/538910961.db2.gz INIDDJIUGLQPIM-VIFPVBQESA-N 2 2 210.281 -0.080 10 0 BBAELP C[N@H+](C[C@H](O)Cn1c[nH+]c(N)c1)C1CC1 ZINC000685964183 538910959 /nfs/dbraw/zinc/91/09/59/538910959.db2.gz INIDDJIUGLQPIM-VIFPVBQESA-N 2 2 210.281 -0.080 10 0 BBAELP Nc1cn(C[C@@H](O)C[NH+]2CCCC2)c[nH+]1 ZINC000685964231 538911067 /nfs/dbraw/zinc/91/10/67/538911067.db2.gz RTVNMRMBNKHKKN-VIFPVBQESA-N 2 2 210.281 -0.078 10 0 BBAELP C[N@H+]1CCO[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000700192938 711987623 /nfs/dbraw/zinc/98/76/23/711987623.db2.gz VOGOGTDLDMCPCU-JTQLQIEISA-N 2 2 226.324 -0.354 10 0 BBAELP C[N@@H+]1CCO[C@@H](CNC2=[NH+]CCCCN2)C1 ZINC000700192938 711987620 /nfs/dbraw/zinc/98/76/20/711987620.db2.gz VOGOGTDLDMCPCU-JTQLQIEISA-N 2 2 226.324 -0.354 10 0 BBAELP C[N@H+]1CCO[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000700192939 711987398 /nfs/dbraw/zinc/98/73/98/711987398.db2.gz VOGOGTDLDMCPCU-SNVBAGLBSA-N 2 2 226.324 -0.354 10 0 BBAELP C[N@@H+]1CCO[C@H](CNC2=[NH+]CCCCN2)C1 ZINC000700192939 711987397 /nfs/dbraw/zinc/98/73/97/711987397.db2.gz VOGOGTDLDMCPCU-SNVBAGLBSA-N 2 2 226.324 -0.354 10 0 BBAELP CN1CC[NH+](CCn2cc[nH+]c2N)CC1 ZINC000702458617 582926753 /nfs/dbraw/zinc/92/67/53/582926753.db2.gz CPKPYSCDXWKGGG-UHFFFAOYSA-N 2 2 209.297 -0.287 10 0 BBAELP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000708832123 712200031 /nfs/dbraw/zinc/20/00/31/712200031.db2.gz XFHVMTCNJORGSV-AGIUHOORSA-N 3 2 241.379 -0.030 10 0 BBAELP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000708832123 712200028 /nfs/dbraw/zinc/20/00/28/712200028.db2.gz XFHVMTCNJORGSV-AGIUHOORSA-N 3 2 241.379 -0.030 10 0 BBAELP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000708832125 712200126 /nfs/dbraw/zinc/20/01/26/712200126.db2.gz XFHVMTCNJORGSV-FRRDWIJNSA-N 3 2 241.379 -0.030 10 0 BBAELP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000708832125 712200122 /nfs/dbraw/zinc/20/01/22/712200122.db2.gz XFHVMTCNJORGSV-FRRDWIJNSA-N 3 2 241.379 -0.030 10 0 BBAELP CCS(=O)(=O)CC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708860498 712201573 /nfs/dbraw/zinc/20/15/73/712201573.db2.gz BYANJCWWYFKHDN-UWVGGRQHSA-N 2 2 234.365 -0.052 10 0 BBAELP CCS(=O)(=O)CC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708860498 712201570 /nfs/dbraw/zinc/20/15/70/712201570.db2.gz BYANJCWWYFKHDN-UWVGGRQHSA-N 2 2 234.365 -0.052 10 0 BBAELP CCS(=O)(=O)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708860499 712201072 /nfs/dbraw/zinc/20/10/72/712201072.db2.gz BYANJCWWYFKHDN-VHSXEESVSA-N 2 2 234.365 -0.052 10 0 BBAELP CCS(=O)(=O)CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708860499 712201069 /nfs/dbraw/zinc/20/10/69/712201069.db2.gz BYANJCWWYFKHDN-VHSXEESVSA-N 2 2 234.365 -0.052 10 0 BBAELP CCS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708860500 712201131 /nfs/dbraw/zinc/20/11/31/712201131.db2.gz BYANJCWWYFKHDN-ZJUUUORDSA-N 2 2 234.365 -0.052 10 0 BBAELP CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708860500 712201127 /nfs/dbraw/zinc/20/11/27/712201127.db2.gz BYANJCWWYFKHDN-ZJUUUORDSA-N 2 2 234.365 -0.052 10 0 BBAELP COC[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708919243 712203561 /nfs/dbraw/zinc/20/35/61/712203561.db2.gz PLFYVOBWDSCLDK-GMTAPVOTSA-N 2 2 232.324 -0.568 10 0 BBAELP COC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708919243 712203560 /nfs/dbraw/zinc/20/35/60/712203560.db2.gz PLFYVOBWDSCLDK-GMTAPVOTSA-N 2 2 232.324 -0.568 10 0 BBAELP COC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919245 712203565 /nfs/dbraw/zinc/20/35/65/712203565.db2.gz PLFYVOBWDSCLDK-MXWKQRLJSA-N 2 2 232.324 -0.568 10 0 BBAELP COC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919245 712203564 /nfs/dbraw/zinc/20/35/64/712203564.db2.gz PLFYVOBWDSCLDK-MXWKQRLJSA-N 2 2 232.324 -0.568 10 0 BBAELP COC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708919247 712203423 /nfs/dbraw/zinc/20/34/23/712203423.db2.gz PLFYVOBWDSCLDK-OUAUKWLOSA-N 2 2 232.324 -0.568 10 0 BBAELP COC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708919247 712203422 /nfs/dbraw/zinc/20/34/22/712203422.db2.gz PLFYVOBWDSCLDK-OUAUKWLOSA-N 2 2 232.324 -0.568 10 0 BBAELP COC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919249 712203428 /nfs/dbraw/zinc/20/34/28/712203428.db2.gz PLFYVOBWDSCLDK-VWYCJHECSA-N 2 2 232.324 -0.568 10 0 BBAELP COC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919249 712203427 /nfs/dbraw/zinc/20/34/27/712203427.db2.gz PLFYVOBWDSCLDK-VWYCJHECSA-N 2 2 232.324 -0.568 10 0 BBAELP CCOC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708963500 712204527 /nfs/dbraw/zinc/20/45/27/712204527.db2.gz DORGTXXWUXONSQ-GRYCIOLGSA-N 2 2 246.351 -0.178 10 0 BBAELP CCOC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708963500 712204524 /nfs/dbraw/zinc/20/45/24/712204524.db2.gz DORGTXXWUXONSQ-GRYCIOLGSA-N 2 2 246.351 -0.178 10 0 BBAELP CCOC[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708963501 712204395 /nfs/dbraw/zinc/20/43/95/712204395.db2.gz DORGTXXWUXONSQ-IJLUTSLNSA-N 2 2 246.351 -0.178 10 0 BBAELP CCOC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708963501 712204394 /nfs/dbraw/zinc/20/43/94/712204394.db2.gz DORGTXXWUXONSQ-IJLUTSLNSA-N 2 2 246.351 -0.178 10 0 BBAELP CCOC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708963502 712203982 /nfs/dbraw/zinc/20/39/82/712203982.db2.gz DORGTXXWUXONSQ-UTUOFQBUSA-N 2 2 246.351 -0.178 10 0 BBAELP CCOC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708963502 712203980 /nfs/dbraw/zinc/20/39/80/712203980.db2.gz DORGTXXWUXONSQ-UTUOFQBUSA-N 2 2 246.351 -0.178 10 0 BBAELP CCOC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708963503 712204383 /nfs/dbraw/zinc/20/43/83/712204383.db2.gz DORGTXXWUXONSQ-WOPDTQHZSA-N 2 2 246.351 -0.178 10 0 BBAELP CCOC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708963503 712204382 /nfs/dbraw/zinc/20/43/82/712204382.db2.gz DORGTXXWUXONSQ-WOPDTQHZSA-N 2 2 246.351 -0.178 10 0 BBAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC(C(N)=O)C1 ZINC000716686894 712570508 /nfs/dbraw/zinc/57/05/08/712570508.db2.gz MKKNDCIOZKJKOQ-AGVGLQIMSA-N 2 2 241.335 -0.393 10 0 BBAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC(C(N)=O)C1 ZINC000716686896 712570357 /nfs/dbraw/zinc/57/03/57/712570357.db2.gz MKKNDCIOZKJKOQ-IDWGSYCQSA-N 2 2 241.335 -0.393 10 0 BBAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC(C(N)=O)C1 ZINC000716686898 712570454 /nfs/dbraw/zinc/57/04/54/712570454.db2.gz MKKNDCIOZKJKOQ-PMUOWJKOSA-N 2 2 241.335 -0.393 10 0 BBAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC(C(N)=O)C1 ZINC000716686899 712570345 /nfs/dbraw/zinc/57/03/45/712570345.db2.gz MKKNDCIOZKJKOQ-SFXRXQKFSA-N 2 2 241.335 -0.393 10 0 BBAELP NC(=O)[C@H]1COCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000717983978 712735073 /nfs/dbraw/zinc/73/50/73/712735073.db2.gz HNSMHBQFYMHNGJ-IVZWLZJFSA-N 2 2 227.308 -0.700 10 0 BBAELP NC(=O)[C@H]1COCC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])C1 ZINC000717983978 712735072 /nfs/dbraw/zinc/73/50/72/712735072.db2.gz HNSMHBQFYMHNGJ-IVZWLZJFSA-N 2 2 227.308 -0.700 10 0 BBAELP C([NH2+][C@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724606121 711597862 /nfs/dbraw/zinc/59/78/62/711597862.db2.gz YRSRECUQXAAWRV-RCWTZXSCSA-N 2 2 212.293 -0.258 10 0 BBAELP C([NH2+][C@@H]1CC[NH2+]C1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724621856 711519212 /nfs/dbraw/zinc/51/92/12/711519212.db2.gz YRSRECUQXAAWRV-DBIOUOCHSA-N 2 2 212.293 -0.258 10 0 BBAELP C([NH2+][C@H]1CC[NH2+]C1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724621857 711600798 /nfs/dbraw/zinc/60/07/98/711600798.db2.gz YRSRECUQXAAWRV-YTWAJWBKSA-N 2 2 212.293 -0.258 10 0 BBAELP C([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724621859 711600607 /nfs/dbraw/zinc/60/06/07/711600607.db2.gz YRSRECUQXAAWRV-ZNSHCXBVSA-N 2 2 212.293 -0.258 10 0 BBAELP [NH3+]CC(F)(F)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258865 538077772 /nfs/dbraw/zinc/07/77/72/538077772.db2.gz HLNPRSQIRPQIJO-UHFFFAOYSA-N 2 2 245.233 -0.440 10 0 BBAELP C[NH+](C)C[C@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260207 541334570 /nfs/dbraw/zinc/33/45/70/541334570.db2.gz PFNAUMBAGVSZJO-SECBINFHSA-N 3 2 238.339 -0.672 10 0 BBAELP C[NH+](C)C[C@@H]([NH3+])CNc1ccnn1C1C[NH2+]C1 ZINC000725260208 541334780 /nfs/dbraw/zinc/33/47/80/541334780.db2.gz PFNAUMBAGVSZJO-VIFPVBQESA-N 3 2 238.339 -0.672 10 0 BBAELP CC(C)NC(=O)[C@@H]([NH3+])CC[N@H+]1CCCOCC1 ZINC000725263202 538090115 /nfs/dbraw/zinc/09/01/15/538090115.db2.gz VXZLVQZPYDIAMK-NSHDSACASA-N 2 2 243.351 -0.049 10 0 BBAELP C[NH+](C)CC(=O)NCc1cccc(N)[nH+]1 ZINC000725270908 538102490 /nfs/dbraw/zinc/10/24/90/538102490.db2.gz VAZBTUYPTCKJMZ-UHFFFAOYSA-N 2 2 208.265 -0.158 10 0 BBAELP C[NH2+]CCC1=[NH+]CCN1C(=O)C[NH+](C)C ZINC000725272379 538104250 /nfs/dbraw/zinc/10/42/50/538104250.db2.gz MFUUDTQYKUULHG-UHFFFAOYSA-N 3 2 212.297 -0.602 10 0 BBAELP C[NH+](C)C[C@@H]1COC[C@H]1[N@@H+](C)CCO ZINC000725273495 541340719 /nfs/dbraw/zinc/34/07/19/541340719.db2.gz HAKRDAVUISOJDO-NXEZZACHSA-N 2 2 202.298 -0.513 10 0 BBAELP C[NH+](C)C[C@@H]1COC[C@H]1[N@H+](C)CCO ZINC000725273495 541340715 /nfs/dbraw/zinc/34/07/15/541340715.db2.gz HAKRDAVUISOJDO-NXEZZACHSA-N 2 2 202.298 -0.513 10 0 BBAELP C[NH+](C)C[C@H]1COC[C@@H]1[N@@H+](C)CCO ZINC000725273496 541340406 /nfs/dbraw/zinc/34/04/06/541340406.db2.gz HAKRDAVUISOJDO-UWVGGRQHSA-N 2 2 202.298 -0.513 10 0 BBAELP C[NH+](C)C[C@H]1COC[C@@H]1[N@H+](C)CCO ZINC000725273496 541340403 /nfs/dbraw/zinc/34/04/03/541340403.db2.gz HAKRDAVUISOJDO-UWVGGRQHSA-N 2 2 202.298 -0.513 10 0 BBAELP C[NH+](C)C[C@H]1COC[C@H]1[N@@H+](C)CCO ZINC000725273497 541340455 /nfs/dbraw/zinc/34/04/55/541340455.db2.gz HAKRDAVUISOJDO-VHSXEESVSA-N 2 2 202.298 -0.513 10 0 BBAELP C[NH+](C)C[C@H]1COC[C@H]1[N@H+](C)CCO ZINC000725273497 541340452 /nfs/dbraw/zinc/34/04/52/541340452.db2.gz HAKRDAVUISOJDO-VHSXEESVSA-N 2 2 202.298 -0.513 10 0 BBAELP C[NH+](C)C[C@@H]1COC[C@@H]1[N@@H+](C)CCO ZINC000725273498 541340770 /nfs/dbraw/zinc/34/07/70/541340770.db2.gz HAKRDAVUISOJDO-ZJUUUORDSA-N 2 2 202.298 -0.513 10 0 BBAELP C[NH+](C)C[C@@H]1COC[C@@H]1[N@H+](C)CCO ZINC000725273498 541340766 /nfs/dbraw/zinc/34/07/66/541340766.db2.gz HAKRDAVUISOJDO-ZJUUUORDSA-N 2 2 202.298 -0.513 10 0 BBAELP NC(=O)[C@H]1CCN1c1cc[nH+]c(C[NH3+])c1 ZINC000757142886 582523106 /nfs/dbraw/zinc/52/31/06/582523106.db2.gz HQYPJYSAPNUOAF-SECBINFHSA-N 2 2 206.249 -0.396 10 0 BBAELP NC(=O)[C@@H]1CCN1c1cc[nH+]c(C[NH3+])c1 ZINC000757142889 582522837 /nfs/dbraw/zinc/52/28/37/582522837.db2.gz HQYPJYSAPNUOAF-VIFPVBQESA-N 2 2 206.249 -0.396 10 0 BBAELP NC(=O)[C@H]1CC[N@H+]1C[C@@H](C[NH3+])C1CCC1 ZINC000757144402 582525249 /nfs/dbraw/zinc/52/52/49/582525249.db2.gz JEVOXZOKYPAAFN-NXEZZACHSA-N 2 2 211.309 -0.079 10 0 BBAELP NC(=O)[C@H]1CC[N@@H+]1C[C@@H](C[NH3+])C1CCC1 ZINC000757144402 582525248 /nfs/dbraw/zinc/52/52/48/582525248.db2.gz JEVOXZOKYPAAFN-NXEZZACHSA-N 2 2 211.309 -0.079 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1C[C@H](C[NH3+])C1CCC1 ZINC000757144406 582525332 /nfs/dbraw/zinc/52/53/32/582525332.db2.gz JEVOXZOKYPAAFN-UWVGGRQHSA-N 2 2 211.309 -0.079 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1C[C@H](C[NH3+])C1CCC1 ZINC000757144406 582525331 /nfs/dbraw/zinc/52/53/31/582525331.db2.gz JEVOXZOKYPAAFN-UWVGGRQHSA-N 2 2 211.309 -0.079 10 0 BBAELP NC(=O)[C@H]1CC[N@H+]1C[C@H](C[NH3+])C1CCC1 ZINC000757144409 582525575 /nfs/dbraw/zinc/52/55/75/582525575.db2.gz JEVOXZOKYPAAFN-VHSXEESVSA-N 2 2 211.309 -0.079 10 0 BBAELP NC(=O)[C@H]1CC[N@@H+]1C[C@H](C[NH3+])C1CCC1 ZINC000757144409 582525573 /nfs/dbraw/zinc/52/55/73/582525573.db2.gz JEVOXZOKYPAAFN-VHSXEESVSA-N 2 2 211.309 -0.079 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1C[C@@H](C[NH3+])C1CCC1 ZINC000757144410 582525591 /nfs/dbraw/zinc/52/55/91/582525591.db2.gz JEVOXZOKYPAAFN-ZJUUUORDSA-N 2 2 211.309 -0.079 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1C[C@@H](C[NH3+])C1CCC1 ZINC000757144410 582525589 /nfs/dbraw/zinc/52/55/89/582525589.db2.gz JEVOXZOKYPAAFN-ZJUUUORDSA-N 2 2 211.309 -0.079 10 0 BBAELP NC(=O)[C@H]1CCN1c1cc[nH+]cc1C[NH3+] ZINC000757145470 582527749 /nfs/dbraw/zinc/52/77/49/582527749.db2.gz LQSXHUNGXBGXCZ-SECBINFHSA-N 2 2 206.249 -0.396 10 0 BBAELP NC(=O)[C@@H]1CCN1c1cc[nH+]cc1C[NH3+] ZINC000757145482 582528119 /nfs/dbraw/zinc/52/81/19/582528119.db2.gz LQSXHUNGXBGXCZ-VIFPVBQESA-N 2 2 206.249 -0.396 10 0 BBAELP C[NH+]1CCC2(CC1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757147026 582530959 /nfs/dbraw/zinc/53/09/59/582530959.db2.gz RRTYJPXEZZOAFG-LLVKDONJSA-N 2 2 241.335 -0.613 10 0 BBAELP C[NH+]1CCC2(CC1)[NH2+]C[C@]1(COCCN1)CO2 ZINC000757147039 582530817 /nfs/dbraw/zinc/53/08/17/582530817.db2.gz RRTYJPXEZZOAFG-NSHDSACASA-N 2 2 241.335 -0.613 10 0 BBAELP CN1CCOC[C@@]12C[NH2+]C1(CC[NH2+]CC1)OC2 ZINC000757147873 582532250 /nfs/dbraw/zinc/53/22/50/582532250.db2.gz SXVIUSVNQTXNMA-LLVKDONJSA-N 2 2 241.335 -0.613 10 0 BBAELP CN1CCOC[C@]12C[NH2+]C1(CC[NH2+]CC1)OC2 ZINC000757147879 582531889 /nfs/dbraw/zinc/53/18/89/582531889.db2.gz SXVIUSVNQTXNMA-NSHDSACASA-N 2 2 241.335 -0.613 10 0 BBAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@@H]1OC[C@@H]2CCO[C@H]12 ZINC000757149246 586429176 /nfs/dbraw/zinc/42/91/76/586429176.db2.gz ZIDOJMWOCHUJOD-NAKRPEOUSA-N 2 2 212.293 -0.177 10 0 BBAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@@H]1OC[C@@H]2CCO[C@H]12 ZINC000757149246 586429174 /nfs/dbraw/zinc/42/91/74/586429174.db2.gz ZIDOJMWOCHUJOD-NAKRPEOUSA-N 2 2 212.293 -0.177 10 0 BBAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@@H]1OC[C@H]2CCO[C@@H]21 ZINC000757149255 586428852 /nfs/dbraw/zinc/42/88/52/586428852.db2.gz ZIDOJMWOCHUJOD-RCWTZXSCSA-N 2 2 212.293 -0.177 10 0 BBAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@@H]1OC[C@H]2CCO[C@@H]21 ZINC000757149255 586428851 /nfs/dbraw/zinc/42/88/51/586428851.db2.gz ZIDOJMWOCHUJOD-RCWTZXSCSA-N 2 2 212.293 -0.177 10 0 BBAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@@H]1OC[C@H]2CCO[C@H]21 ZINC000757149257 586428813 /nfs/dbraw/zinc/42/88/13/586428813.db2.gz ZIDOJMWOCHUJOD-VPOLOUISSA-N 2 2 212.293 -0.177 10 0 BBAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@@H]1OC[C@H]2CCO[C@H]21 ZINC000757149257 586428812 /nfs/dbraw/zinc/42/88/12/586428812.db2.gz ZIDOJMWOCHUJOD-VPOLOUISSA-N 2 2 212.293 -0.177 10 0 BBAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@@H]1OC[C@@H]2CCO[C@@H]12 ZINC000757149259 586428845 /nfs/dbraw/zinc/42/88/45/586428845.db2.gz ZIDOJMWOCHUJOD-XWLWVQCSSA-N 2 2 212.293 -0.177 10 0 BBAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@@H]1OC[C@@H]2CCO[C@@H]12 ZINC000757149259 586428844 /nfs/dbraw/zinc/42/88/44/586428844.db2.gz ZIDOJMWOCHUJOD-XWLWVQCSSA-N 2 2 212.293 -0.177 10 0 BBAELP NC(=O)[C@H]1CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757155771 582540093 /nfs/dbraw/zinc/54/00/93/582540093.db2.gz HHRJRXBUDQTQEL-URJDPWSZSA-N 2 2 209.293 -0.171 10 0 BBAELP NC(=O)[C@H]1CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757155771 582540092 /nfs/dbraw/zinc/54/00/92/582540092.db2.gz HHRJRXBUDQTQEL-URJDPWSZSA-N 2 2 209.293 -0.171 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757155778 582540031 /nfs/dbraw/zinc/54/00/31/582540031.db2.gz HHRJRXBUDQTQEL-WPXGONGXSA-N 2 2 209.293 -0.171 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757155778 582540029 /nfs/dbraw/zinc/54/00/29/582540029.db2.gz HHRJRXBUDQTQEL-WPXGONGXSA-N 2 2 209.293 -0.171 10 0 BBAELP CC1(C)C[NH2+]CC[C@@H]1[N@H+]1CC[C@@H]1C(N)=O ZINC000757156331 582539977 /nfs/dbraw/zinc/53/99/77/582539977.db2.gz JWNOCKDDYHAOEE-BDAKNGLRSA-N 2 2 211.309 -0.066 10 0 BBAELP CC1(C)C[NH2+]CC[C@@H]1[N@@H+]1CC[C@@H]1C(N)=O ZINC000757156331 582539976 /nfs/dbraw/zinc/53/99/76/582539976.db2.gz JWNOCKDDYHAOEE-BDAKNGLRSA-N 2 2 211.309 -0.066 10 0 BBAELP CC1(C)C[NH2+]CC[C@H]1[N@H+]1CC[C@H]1C(N)=O ZINC000757156332 582539899 /nfs/dbraw/zinc/53/98/99/582539899.db2.gz JWNOCKDDYHAOEE-DTWKUNHWSA-N 2 2 211.309 -0.066 10 0 BBAELP CC1(C)C[NH2+]CC[C@H]1[N@@H+]1CC[C@H]1C(N)=O ZINC000757156332 582539896 /nfs/dbraw/zinc/53/98/96/582539896.db2.gz JWNOCKDDYHAOEE-DTWKUNHWSA-N 2 2 211.309 -0.066 10 0 BBAELP CC1(C)C[NH2+]CC[C@@H]1[N@H+]1CC[C@H]1C(N)=O ZINC000757156333 582539826 /nfs/dbraw/zinc/53/98/26/582539826.db2.gz JWNOCKDDYHAOEE-IUCAKERBSA-N 2 2 211.309 -0.066 10 0 BBAELP CC1(C)C[NH2+]CC[C@@H]1[N@@H+]1CC[C@H]1C(N)=O ZINC000757156333 582539824 /nfs/dbraw/zinc/53/98/24/582539824.db2.gz JWNOCKDDYHAOEE-IUCAKERBSA-N 2 2 211.309 -0.066 10 0 BBAELP CC1(C)C[NH2+]CC[C@H]1[N@H+]1CC[C@@H]1C(N)=O ZINC000757156334 582539731 /nfs/dbraw/zinc/53/97/31/582539731.db2.gz JWNOCKDDYHAOEE-RKDXNWHRSA-N 2 2 211.309 -0.066 10 0 BBAELP CC1(C)C[NH2+]CC[C@H]1[N@@H+]1CC[C@@H]1C(N)=O ZINC000757156334 582539729 /nfs/dbraw/zinc/53/97/29/582539729.db2.gz JWNOCKDDYHAOEE-RKDXNWHRSA-N 2 2 211.309 -0.066 10 0 BBAELP NC(=O)[C@H]1CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000757156605 586430573 /nfs/dbraw/zinc/43/05/73/586430573.db2.gz LQICUMZQNHIRJY-NXEZZACHSA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)[C@H]1CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000757156605 586430572 /nfs/dbraw/zinc/43/05/72/586430572.db2.gz LQICUMZQNHIRJY-NXEZZACHSA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000757156608 586430570 /nfs/dbraw/zinc/43/05/70/586430570.db2.gz LQICUMZQNHIRJY-UWVGGRQHSA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000757156608 586430569 /nfs/dbraw/zinc/43/05/69/586430569.db2.gz LQICUMZQNHIRJY-UWVGGRQHSA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)[C@H]1CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000757156610 586430445 /nfs/dbraw/zinc/43/04/45/586430445.db2.gz LQICUMZQNHIRJY-VHSXEESVSA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)[C@H]1CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000757156610 586430443 /nfs/dbraw/zinc/43/04/43/586430443.db2.gz LQICUMZQNHIRJY-VHSXEESVSA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000757156648 586430691 /nfs/dbraw/zinc/43/06/91/586430691.db2.gz LQICUMZQNHIRJY-ZJUUUORDSA-N 2 2 211.309 -0.064 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000757156648 586430689 /nfs/dbraw/zinc/43/06/89/586430689.db2.gz LQICUMZQNHIRJY-ZJUUUORDSA-N 2 2 211.309 -0.064 10 0 BBAELP C[C@H]([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]1C(N)=O ZINC000757157684 586430440 /nfs/dbraw/zinc/43/04/40/586430440.db2.gz NRWNBVYKIPZCBU-BBBLOLIVSA-N 2 2 211.309 -0.066 10 0 BBAELP C[C@H]([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]1C(N)=O ZINC000757157684 586430438 /nfs/dbraw/zinc/43/04/38/586430438.db2.gz NRWNBVYKIPZCBU-BBBLOLIVSA-N 2 2 211.309 -0.066 10 0 BBAELP C[C@H]([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]1C(N)=O ZINC000757157710 586430591 /nfs/dbraw/zinc/43/05/91/586430591.db2.gz NRWNBVYKIPZCBU-KXUCPTDWSA-N 2 2 211.309 -0.066 10 0 BBAELP C[C@H]([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757157710 586430590 /nfs/dbraw/zinc/43/05/90/586430590.db2.gz NRWNBVYKIPZCBU-KXUCPTDWSA-N 2 2 211.309 -0.066 10 0 BBAELP C[C@H]([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]1C(N)=O ZINC000757157728 586430679 /nfs/dbraw/zinc/43/06/79/586430679.db2.gz NRWNBVYKIPZCBU-OPRDCNLKSA-N 2 2 211.309 -0.066 10 0 BBAELP C[C@H]([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757157728 586430677 /nfs/dbraw/zinc/43/06/77/586430677.db2.gz NRWNBVYKIPZCBU-OPRDCNLKSA-N 2 2 211.309 -0.066 10 0 BBAELP C[C@H]([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]1C(N)=O ZINC000757157763 582540457 /nfs/dbraw/zinc/54/04/57/582540457.db2.gz NRWNBVYKIPZCBU-UTLUCORTSA-N 2 2 211.309 -0.066 10 0 BBAELP C[C@H]([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H]1C(N)=O ZINC000757157763 582540455 /nfs/dbraw/zinc/54/04/55/582540455.db2.gz NRWNBVYKIPZCBU-UTLUCORTSA-N 2 2 211.309 -0.066 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000757162354 586432149 /nfs/dbraw/zinc/43/21/49/586432149.db2.gz YHNBWNKVGGIGRN-CIUDSAMLSA-N 2 2 209.293 -0.184 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000757162354 586432148 /nfs/dbraw/zinc/43/21/48/586432148.db2.gz YHNBWNKVGGIGRN-CIUDSAMLSA-N 2 2 209.293 -0.184 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000757162355 586432385 /nfs/dbraw/zinc/43/23/85/586432385.db2.gz YHNBWNKVGGIGRN-DJLDLDEBSA-N 2 2 209.293 -0.184 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000757162355 586432383 /nfs/dbraw/zinc/43/23/83/586432383.db2.gz YHNBWNKVGGIGRN-DJLDLDEBSA-N 2 2 209.293 -0.184 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000757162358 586431965 /nfs/dbraw/zinc/43/19/65/586431965.db2.gz YHNBWNKVGGIGRN-XHNCKOQMSA-N 2 2 209.293 -0.184 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000757162358 586431963 /nfs/dbraw/zinc/43/19/63/586431963.db2.gz YHNBWNKVGGIGRN-XHNCKOQMSA-N 2 2 209.293 -0.184 10 0 BBAELP NC(=O)[C@@H]1CC[N@H+]1[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000757162360 586432069 /nfs/dbraw/zinc/43/20/69/586432069.db2.gz YHNBWNKVGGIGRN-YIZRAAEISA-N 2 2 209.293 -0.184 10 0 BBAELP NC(=O)[C@@H]1CC[N@@H+]1[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000757162360 586432068 /nfs/dbraw/zinc/43/20/68/586432068.db2.gz YHNBWNKVGGIGRN-YIZRAAEISA-N 2 2 209.293 -0.184 10 0 BBAELP COC(=O)c1cc(C[NH2+]CC[NH3+])n(C)n1 ZINC000757179915 586433585 /nfs/dbraw/zinc/43/35/85/586433585.db2.gz PAROIFXASIJELY-UHFFFAOYSA-N 2 2 212.253 -0.745 10 0 BBAELP