smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCC([NH2+]CCCOC)CC1 ZINC000002499060 342721543 /nfs/dbraw/zinc/72/15/43/342721543.db2.gz LPGHQOZIFNSTDP-UHFFFAOYSA-N 2 0 200.326 1.097 50 0 BDAARP COc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434699 187249552 /nfs/dbraw/zinc/24/95/52/187249552.db2.gz HTLNHPDTHPAXTA-UHFFFAOYSA-N 2 0 234.343 1.784 50 0 BDAARP C(CN1CC[NH2+]CC1)[NH2+]CC1CCCCC1 ZINC000022937330 187254569 /nfs/dbraw/zinc/25/45/69/187254569.db2.gz DOSJPSVTAXCTJO-UHFFFAOYSA-N 2 0 225.380 1.062 50 0 BDAARP C[N@H+](CC1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000042783259 343452978 /nfs/dbraw/zinc/45/29/78/343452978.db2.gz MOODZKXNWUAEJL-CYBMUJFWSA-N 2 0 226.364 1.344 50 0 BDAARP CC(C)c1nccc(N2CC([NH+](C)C)C2)n1 ZINC000095986696 187288712 /nfs/dbraw/zinc/28/87/12/187288712.db2.gz GAWWEGRMGDOLDX-UHFFFAOYSA-N 2 0 220.320 1.350 50 0 BDAARP Cc1cccc[n+]1CCC[n+]1ccccc1C ZINC000000390900 179234458 /nfs/dbraw/zinc/23/44/58/179234458.db2.gz BFMKOVIRPSGLQY-UHFFFAOYSA-N 2 0 228.339 1.969 50 0 BDAARP Cc1ncsc1CN1CCC[C@H]1C[NH3+] ZINC000168788401 180316672 /nfs/dbraw/zinc/31/66/72/180316672.db2.gz DQPPXHXQGFZIHH-VIFPVBQESA-N 2 0 211.334 1.375 50 0 BDAARP NC(=[NH2+])SCCCCCCSC(N)=[NH2+] ZINC000013742486 181191978 /nfs/dbraw/zinc/19/19/78/181191978.db2.gz DYGQVQHELWCVGV-UHFFFAOYSA-N 2 0 234.394 1.800 50 0 BDAARP [NH3+]C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000037374859 181343214 /nfs/dbraw/zinc/34/32/14/181343214.db2.gz WKCGEZCOLSQCQQ-UHFFFAOYSA-N 2 0 216.328 1.577 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000011889002 181365426 /nfs/dbraw/zinc/36/54/26/181365426.db2.gz UMRYEROXGGYCBP-UHFFFAOYSA-N 2 0 222.307 1.996 50 0 BDAARP [NH3+]CCCCC[NH+]1CCC(F)(F)CC1 ZINC000085652809 181375552 /nfs/dbraw/zinc/37/55/52/181375552.db2.gz TZIOXBKABZNTJA-UHFFFAOYSA-N 2 0 206.280 1.847 50 0 BDAARP CC(C)C[NH+]1CCC([NH2+]C[C@H](C)CCO)CC1 ZINC000096478801 371497684 /nfs/dbraw/zinc/49/76/84/371497684.db2.gz YTPXAIGSIBBMHK-CYBMUJFWSA-N 2 0 242.407 1.715 50 0 BDAARP CCN(CC[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000037469559 169839700 /nfs/dbraw/zinc/83/97/00/169839700.db2.gz PXDMRLZYFOTMJM-UHFFFAOYSA-N 2 0 225.380 1.156 50 0 BDAARP C[NH+](C)C[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000041226748 384183573 /nfs/dbraw/zinc/18/35/73/384183573.db2.gz QKZQZLFNHGBKPY-JTQLQIEISA-N 2 0 212.724 1.944 50 0 BDAARP c1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000042783433 384244285 /nfs/dbraw/zinc/24/42/85/384244285.db2.gz ZBFILZDQJHWAFT-LBPRGKRZSA-N 2 0 216.328 1.654 50 0 BDAARP C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000042783427 384244660 /nfs/dbraw/zinc/24/46/60/384244660.db2.gz OWDUMFUCVYNNMN-ZDUSSCGKSA-N 2 0 204.317 1.728 50 0 BDAARP C[NH+](C)CCN(CCC[NH3+])Cc1cccs1 ZINC000045796281 384409629 /nfs/dbraw/zinc/40/96/29/384409629.db2.gz YHPWVXAEUWWEPK-UHFFFAOYSA-N 2 0 241.404 1.461 50 0 BDAARP CC[NH+](CC)CCOCC[NH+](CC)CC ZINC000001723262 169782052 /nfs/dbraw/zinc/78/20/52/169782052.db2.gz MELCWEWUZODSIS-UHFFFAOYSA-N 2 0 216.369 1.687 50 0 BDAARP COC1CC[NH+]([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000037266111 174030922 /nfs/dbraw/zinc/03/09/22/174030922.db2.gz MUSCNOITVGNPJL-NWDGAFQWSA-N 2 0 212.337 1.367 50 0 BDAARP CSCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067472625 175479968 /nfs/dbraw/zinc/47/99/68/175479968.db2.gz PSQKHEQLYMSQBK-UHFFFAOYSA-N 2 0 228.405 1.815 50 0 BDAARP C[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)[C@@H]1C ZINC000096004783 176143968 /nfs/dbraw/zinc/14/39/68/176143968.db2.gz KVNDNPJAAZSNJB-MQYQWHSLSA-N 2 0 242.407 1.713 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[NH2+]CC[C@H]1[NH3+] ZINC000757212099 586438889 /nfs/dbraw/zinc/43/88/89/586438889.db2.gz LPVODKCTTXHODT-GXSJLCMTSA-N 2 0 230.315 1.276 50 0 BDAARP CC1(C)CC(O)([C@@H]([NH3+])C2CCC2)CC(C)(C)[NH2+]1 ZINC000958528656 635550945 /nfs/dbraw/zinc/55/09/45/635550945.db2.gz RXWWVQVWGOBKLW-NSHDSACASA-N 2 0 240.391 1.786 50 0 BDAARP CC[C@@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958527856 635551396 /nfs/dbraw/zinc/55/13/96/635551396.db2.gz GQPHPFDKRKGWNN-SECBINFHSA-N 2 0 214.353 1.395 50 0 BDAARP CC1CCC([C@@H]([NH3+])C2(O)CC[NH2+]CC2)CC1 ZINC000958528621 644807183 /nfs/dbraw/zinc/80/71/83/644807183.db2.gz XDZIOXRSVXHMND-HTAVTVPLSA-N 2 0 226.364 1.255 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H]([NH3+])CC[NH2+]1 ZINC000757213951 712583156 /nfs/dbraw/zinc/58/31/56/712583156.db2.gz SCBPHCALGLUTMS-MFKMUULPSA-N 2 0 230.315 1.623 50 0 BDAARP COCCN1CC[C@H](C[N@H+](C)C2CCCC2)C1 ZINC000952868505 974050541 /nfs/dbraw/zinc/05/05/41/974050541.db2.gz ABOFWOMNBJYQGX-CYBMUJFWSA-N 2 0 240.391 1.829 50 0 BDAARP OCCCN(CC1CC[NH2+]CC1)c1ccccc1 ZINC000240894795 187329869 /nfs/dbraw/zinc/32/98/69/187329869.db2.gz IPYCJISDWWTFAJ-UHFFFAOYSA-N 2 0 248.370 1.875 50 0 BDAARP CCN(CC[NH+](CC)CC)C1CC[NH+](C)CC1 ZINC000019637456 342952833 /nfs/dbraw/zinc/95/28/33/342952833.db2.gz LOJUJLKBSOJDRU-UHFFFAOYSA-N 2 0 241.423 1.744 50 0 BDAARP CC[NH+](CC)CCN(C)C1CC[NH+](C)CC1 ZINC000019635783 343271586 /nfs/dbraw/zinc/27/15/86/343271586.db2.gz DPAZUOZZWNWHFJ-UHFFFAOYSA-N 2 0 227.396 1.354 50 0 BDAARP [NH3+][C@H]1CN(Cc2ccccc2)CC12CC2 ZINC000034534959 350267184 /nfs/dbraw/zinc/26/71/84/350267184.db2.gz PGEGEJNTABPWJH-LBPRGKRZSA-N 2 0 202.301 1.610 50 0 BDAARP NC(=[NH2+])CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019423262 181187011 /nfs/dbraw/zinc/18/70/11/181187011.db2.gz TWJWHOUKYDISQR-UHFFFAOYSA-N 2 0 246.358 1.130 50 0 BDAARP NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000069709899 181190024 /nfs/dbraw/zinc/19/00/24/181190024.db2.gz FHLGXFQFRDZHKY-CYBMUJFWSA-N 2 0 246.358 1.524 50 0 BDAARP [NH3+]CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000022937612 181396797 /nfs/dbraw/zinc/39/67/97/181396797.db2.gz GUHJWZDGUNYHAL-UHFFFAOYSA-N 2 0 233.359 1.199 50 0 BDAARP CN(C[C@@H]1CCCO1)[C@H]1CCCC[C@H]1[NH3+] ZINC000250448908 369527198 /nfs/dbraw/zinc/52/71/98/369527198.db2.gz VEMLLQAIJFCAAS-TUAOUCFPSA-N 2 0 212.337 1.367 50 0 BDAARP OCC[NH+]1CCC(C[NH2+]C2CCCC2)CC1 ZINC000069420362 183073395 /nfs/dbraw/zinc/07/33/95/183073395.db2.gz QNPFVFPJYQXSIB-UHFFFAOYSA-N 2 0 226.364 1.223 50 0 BDAARP CCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000002494615 169188694 /nfs/dbraw/zinc/18/86/94/169188694.db2.gz GYSWSUSFBVSQBT-UHFFFAOYSA-N 2 0 200.326 1.097 50 0 BDAARP C[NH2+][C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815242 384304088 /nfs/dbraw/zinc/30/40/88/384304088.db2.gz SQXROZHTTFVFOL-UONOGXRCSA-N 2 0 239.407 1.543 50 0 BDAARP C[NH+](C)CC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000016124116 384452500 /nfs/dbraw/zinc/45/25/00/384452500.db2.gz MLVPRIFEJJPBCE-UHFFFAOYSA-N 3 0 225.380 1.012 50 0 BDAARP c1nc([C@H]2CCC[NH2+]C2)n2c1CCCC2 ZINC000082931246 384726671 /nfs/dbraw/zinc/72/66/71/384726671.db2.gz VGKITYSVYVEVGT-JTQLQIEISA-N 2 0 205.305 1.686 50 0 BDAARP C[NH+](C)CCC[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000004184640 386303528 /nfs/dbraw/zinc/30/35/28/386303528.db2.gz OPZKYVKFRACHIC-GFCCVEGCSA-N 2 0 242.363 1.213 50 0 BDAARP C[NH+](C)CCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000015021785 386762756 /nfs/dbraw/zinc/76/27/56/386762756.db2.gz JHEIOFIBTVJIHC-RDBSUJKOSA-N 2 0 240.391 1.564 50 0 BDAARP CC(C)(C)OC(=O)[C@H]([NH3+])[C@H]1CC[C@H](C[NH3+])CC1 ZINC000248163306 388674533 /nfs/dbraw/zinc/67/45/33/388674533.db2.gz MZBQCNOLQJOBNJ-GMTAPVOTSA-N 2 0 242.363 1.421 50 0 BDAARP Cc1ccc(O)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000091996121 398120145 /nfs/dbraw/zinc/12/01/45/398120145.db2.gz RBEGOPUINFJNEL-LLVKDONJSA-N 2 0 249.358 1.655 50 0 BDAARP CC[NH+]1CCN(Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000019429896 169994823 /nfs/dbraw/zinc/99/48/23/169994823.db2.gz PTRLAMANIUYXBD-UHFFFAOYSA-N 2 0 246.358 1.108 50 0 BDAARP C[NH+](C)Cc1ccc(CSCC[NH3+])o1 ZINC000002029394 172501645 /nfs/dbraw/zinc/50/16/45/172501645.db2.gz JFGCGQJHMUYGLU-UHFFFAOYSA-N 2 0 214.334 1.533 50 0 in-vitro BDAARP C[NH2+]Cc1ccccc1OCCC[NH+](C)C ZINC000012370632 173390778 /nfs/dbraw/zinc/39/07/78/173390778.db2.gz PSLNWMDOKBMVNV-UHFFFAOYSA-N 2 0 222.332 1.737 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H]([NH3+])CN1 ZINC000757207377 586437243 /nfs/dbraw/zinc/43/72/43/586437243.db2.gz AGXTVAYSGVYUNB-ZYHUDNBSSA-N 2 0 230.315 1.623 50 0 BDAARP CC1(C)CC(O)([C@H]([NH3+])C2CC2)CC(C)(C)[NH2+]1 ZINC000958527932 635551162 /nfs/dbraw/zinc/55/11/62/635551162.db2.gz IWFQGHICPLGLIX-SNVBAGLBSA-N 2 0 226.364 1.395 50 0 BDAARP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CSCCSC1 ZINC000426549175 635726517 /nfs/dbraw/zinc/72/65/17/635726517.db2.gz NKWKMKWLHMMUHU-GXSJLCMTSA-N 2 0 246.445 1.423 50 0 BDAARP C[C@H]([NH3+])C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000231425675 641171722 /nfs/dbraw/zinc/17/17/22/641171722.db2.gz LDXPNXYSUJXGSV-JTQLQIEISA-N 2 0 237.322 1.780 50 0 BDAARP C[N@H+](CCC(C)(C)O)C[C@H]1CC[NH+](C)C1(C)C ZINC000823690490 968556246 /nfs/dbraw/zinc/55/62/46/968556246.db2.gz YLFHIRMBVLELPH-GFCCVEGCSA-N 2 0 242.407 1.810 50 0 BDAARP CCOCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000069562194 187274583 /nfs/dbraw/zinc/27/45/83/187274583.db2.gz RWVPRNBFOSEQIZ-UHFFFAOYSA-N 2 0 214.353 1.297 50 0 BDAARP CC(C)[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126421331 343905515 /nfs/dbraw/zinc/90/55/15/343905515.db2.gz NPJMHQCCPYWWNX-UHFFFAOYSA-N 2 0 235.331 1.104 50 0 BDAARP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000051990732 187357619 /nfs/dbraw/zinc/35/76/19/187357619.db2.gz BFYSADBFTABSCZ-KBPBESRZSA-N 2 0 240.391 1.752 50 0 BDAARP CCN(CC[NH+](C)C)C1CC[NH+](CC)CC1 ZINC000019636881 347251923 /nfs/dbraw/zinc/25/19/23/347251923.db2.gz SNYRJEUOPLTRKK-UHFFFAOYSA-N 2 0 227.396 1.354 50 0 BDAARP NC(=[NH2+])SCCCCCSC(N)=[NH2+] ZINC000012342735 181192810 /nfs/dbraw/zinc/19/28/10/181192810.db2.gz XLBLCLRBVDWBFV-UHFFFAOYSA-N 2 0 220.367 1.410 50 0 BDAARP COc1ccccc1C[NH2+]CC(C)(C)C[NH3+] ZINC000258700013 538795254 /nfs/dbraw/zinc/79/52/54/538795254.db2.gz GSWOWIAEEVKVJJ-UHFFFAOYSA-N 2 0 222.332 1.770 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000004342626 181365236 /nfs/dbraw/zinc/36/52/36/181365236.db2.gz AHUXENJTFOMIKS-UHFFFAOYSA-N 2 0 222.307 1.996 50 0 BDAARP [NH3+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019852851 181376081 /nfs/dbraw/zinc/37/60/81/181376081.db2.gz CELVPVTXKMNJMA-UHFFFAOYSA-N 2 0 247.386 1.543 50 0 BDAARP c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000042783304 183398013 /nfs/dbraw/zinc/39/80/13/183398013.db2.gz XHKKGYJNEBYKOL-HNNXBMFYSA-N 2 0 245.370 1.166 50 0 BDAARP CCN(CC[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000067459675 383926117 /nfs/dbraw/zinc/92/61/17/383926117.db2.gz KPCMFOLPJWNMAR-CYBMUJFWSA-N 2 0 225.380 1.156 50 0 BDAARP [NH3+]C[C@H](C[NH+]1CCCC1)[C@@H](O)c1ccccc1 ZINC000020283101 384609960 /nfs/dbraw/zinc/60/99/60/384609960.db2.gz UZWVWBHOYQMCCA-KGLIPLIRSA-N 2 0 234.343 1.391 50 0 BDAARP CC[NH+](CC)CCCN1CCOC2(CCC2)C1 ZINC000170612344 388257202 /nfs/dbraw/zinc/25/72/02/388257202.db2.gz IAYCCAHEQVDQAK-UHFFFAOYSA-N 2 0 240.391 1.973 50 0 BDAARP c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000089884964 388369775 /nfs/dbraw/zinc/36/97/75/388369775.db2.gz LUVTWYLMBAVPLR-CYBMUJFWSA-N 2 0 247.342 1.240 50 0 BDAARP CS[C@@H](C)C[NH2+][C@H]1CCN(C(C)C)C1 ZINC000221673765 388594574 /nfs/dbraw/zinc/59/45/74/388594574.db2.gz ULAZLSDVKZZYMG-QWRGUYRKSA-N 2 0 216.394 1.810 50 0 BDAARP Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1 ZINC000017040529 132324009 /nfs/dbraw/zinc/32/40/09/132324009.db2.gz IVICPTLSOMKNRU-UHFFFAOYSA-N 2 0 231.303 1.181 50 0 BDAARP CC[C@H](C)[NH2+]CCNCC[NH2+][C@@H](C)CC ZINC000019365108 171340035 /nfs/dbraw/zinc/34/00/35/171340035.db2.gz GSCPTGNMEGRVNR-RYUDHWBXSA-N 2 0 215.385 1.352 50 0 BDAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccn1 ZINC000036907787 176278578 /nfs/dbraw/zinc/27/85/78/176278578.db2.gz LXSCDXAHRNDHAW-UMVBOHGHSA-N 2 0 247.386 1.942 50 0 BDAARP C[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C[C@@H]1C ZINC000221857375 177332455 /nfs/dbraw/zinc/33/24/55/177332455.db2.gz AOCAKCXXIXRELJ-ZOBORPQBSA-N 2 0 242.407 1.713 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H]([NH3+])CN1 ZINC000757207375 586437494 /nfs/dbraw/zinc/43/74/94/586437494.db2.gz AGXTVAYSGVYUNB-PWSUYJOCSA-N 2 0 230.315 1.623 50 0 BDAARP C[C@@H]([NH3+])C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000231425642 641172511 /nfs/dbraw/zinc/17/25/11/641172511.db2.gz LDXPNXYSUJXGSV-SNVBAGLBSA-N 2 0 237.322 1.780 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H](C[NH3+])C[NH2+]1 ZINC000757211102 643371307 /nfs/dbraw/zinc/37/13/07/643371307.db2.gz JDHDSVVUIAAFRE-ZWNOBZJWSA-N 2 0 244.342 1.871 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H](C[NH3+])C[NH2+]1 ZINC000757211097 643371723 /nfs/dbraw/zinc/37/17/23/643371723.db2.gz JDHDSVVUIAAFRE-GWCFXTLKSA-N 2 0 244.342 1.871 50 0 BDAARP CC(C)(C)[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527548 644804692 /nfs/dbraw/zinc/80/46/92/644804692.db2.gz CIZWKUFMCGCDEL-MMOIIXQKSA-N 2 0 212.337 1.005 50 0 BDAARP c1cn(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC001506421014 988781797 /nfs/dbraw/zinc/78/17/97/988781797.db2.gz DCLLYSBWIDWBLX-AWEZNQCLSA-N 2 0 248.374 1.349 50 0 BDAARP Cc1cc(N(C)C)cc([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000072343655 178094416 /nfs/dbraw/zinc/09/44/16/178094416.db2.gz XCXMCUQQPBDZLV-NSHDSACASA-N 2 0 219.332 1.923 50 0 BDAARP CC[NH+](CC)CCn1c(N)[nH+]c2ccccc21 ZINC000000081439 342673483 /nfs/dbraw/zinc/67/34/83/342673483.db2.gz LNQFKLQTSNFJIH-UHFFFAOYSA-N 2 0 232.331 1.960 50 0 BDAARP Cc1cccc(C)c1NC(=[NH2+])NC(N)=[NH2+] ZINC000006071638 187248498 /nfs/dbraw/zinc/24/84/98/187248498.db2.gz HPDCRAOWFOIELP-UHFFFAOYSA-N 2 0 205.265 1.133 50 0 BDAARP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000032541444 187256193 /nfs/dbraw/zinc/25/61/93/187256193.db2.gz QETWGALKWRVLME-AWEZNQCLSA-N 2 0 240.391 1.970 50 0 BDAARP C[N@H+](CCCCCO)C[C@]1(C)CC[NH+](C)C1 ZINC000032590361 187256727 /nfs/dbraw/zinc/25/67/27/187256727.db2.gz WLQIZYAPVJPSEU-ZDUSSCGKSA-N 2 0 228.380 1.423 50 0 BDAARP C[NH+](C)Cc1ccc(SCC[NH3+])o1 ZINC000039417829 343390046 /nfs/dbraw/zinc/39/00/46/343390046.db2.gz BRLGMWIUIBXQME-UHFFFAOYSA-N 2 0 200.307 1.392 50 0 BDAARP Cc1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1Cl ZINC000000089482 187300989 /nfs/dbraw/zinc/30/09/89/187300989.db2.gz LIIRNJNGOKYCIP-UHFFFAOYSA-N 2 0 225.683 1.478 50 0 BDAARP FC(F)(F)c1c[nH+]ccc1N1CCC[NH2+]CC1 ZINC000204095758 348261590 /nfs/dbraw/zinc/26/15/90/348261590.db2.gz GIYSAKCXGMEULM-UHFFFAOYSA-N 2 0 245.248 1.900 50 0 BDAARP Fc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434729 181011429 /nfs/dbraw/zinc/01/14/29/181011429.db2.gz VTSVNMJHGIOTEX-UHFFFAOYSA-N 2 0 222.307 1.915 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000019843455 181364787 /nfs/dbraw/zinc/36/47/87/181364787.db2.gz QWYZQRGABBLMQB-UHFFFAOYSA-N 2 0 205.305 1.252 50 0 BDAARP c1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000022921709 368373411 /nfs/dbraw/zinc/37/34/11/368373411.db2.gz AFYZAHZKOFBVLE-KBPBESRZSA-N 2 0 216.328 1.870 50 0 BDAARP COC[C@H](C)[NH2+]Cc1ccc2[nH]c(C)nc2c1 ZINC000584890074 369037625 /nfs/dbraw/zinc/03/76/25/369037625.db2.gz CGNJHVNDUNCBST-VIFPVBQESA-N 2 0 233.315 1.996 50 0 BDAARP CCC[NH+](CCC)CCN1CC[NH2+]CC1 ZINC000019943301 169148087 /nfs/dbraw/zinc/14/80/87/169148087.db2.gz NQRQMDMOABSDEK-UHFFFAOYSA-N 2 0 213.369 1.014 50 0 BDAARP CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000090801980 384075934 /nfs/dbraw/zinc/07/59/34/384075934.db2.gz YJFYCDVQSYBHPP-LLVKDONJSA-N 2 0 249.362 1.288 50 0 BDAARP Cc1cccc(N2CC[N@H+](CCC[NH3+])[C@@H](C)C2)c1 ZINC000101251262 384670211 /nfs/dbraw/zinc/67/02/11/384670211.db2.gz ZZPCTTOUYAGCKS-AWEZNQCLSA-N 2 0 247.386 1.854 50 0 BDAARP C[NH+](C)CCC[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000004184644 386303741 /nfs/dbraw/zinc/30/37/41/386303741.db2.gz OPZKYVKFRACHIC-LBPRGKRZSA-N 2 0 242.363 1.213 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000082972322 387394061 /nfs/dbraw/zinc/39/40/61/387394061.db2.gz JWYKYWJRWSXJPQ-KGLIPLIRSA-N 2 0 216.328 1.870 50 0 BDAARP C(CNC1=[NH+]CCCN1)C[NH+]1CCCCCC1 ZINC000065503431 388036298 /nfs/dbraw/zinc/03/62/98/388036298.db2.gz FIRYPCCBBVWCIM-UHFFFAOYSA-N 2 0 238.379 1.191 50 0 BDAARP [NH3+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000011805323 132320704 /nfs/dbraw/zinc/32/07/04/132320704.db2.gz RWIRRGMFYMCBLH-UHFFFAOYSA-N 2 0 233.359 1.548 50 0 BDAARP C[NH+](C)CC1CC[NH+]([C@H]2CCCC(=O)C2)CC1 ZINC000093730879 172427062 /nfs/dbraw/zinc/42/70/62/172427062.db2.gz PSWABFJKOZJEBV-ZDUSSCGKSA-N 2 0 238.375 1.772 50 0 BDAARP COc1ccc([C@@H]2[C@H](C[NH3+])CC[N@@H+]2C)cc1 ZINC000101397625 175186371 /nfs/dbraw/zinc/18/63/71/175186371.db2.gz LDYZMXLDCPUKFZ-WCQYABFASA-N 2 0 220.316 1.647 50 0 BDAARP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000082164333 177324509 /nfs/dbraw/zinc/32/45/09/177324509.db2.gz BIDKDUYMXXPICF-AAEUAGOBSA-N 2 0 204.317 1.856 50 0 BDAARP Cc1c[nH]c(CN(C)C[C@@H](C)n2ccnc2C)n1 ZINC000020542143 491097839 /nfs/dbraw/zinc/09/78/39/491097839.db2.gz KBTUGJKFEXYWBN-LLVKDONJSA-N 2 0 247.346 1.916 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H](C[NH3+])C[NH2+]1 ZINC000757210021 586438486 /nfs/dbraw/zinc/43/84/86/586438486.db2.gz HCLMNDGTICJDNW-ZWNOBZJWSA-N 2 0 244.342 1.871 50 0 BDAARP CC1(C)CC(O)([C@H]([NH3+])C2CCC2)CC(C)(C)[NH2+]1 ZINC000958528655 635551574 /nfs/dbraw/zinc/55/15/74/635551574.db2.gz RXWWVQVWGOBKLW-LLVKDONJSA-N 2 0 240.391 1.786 50 0 BDAARP CC(C)CC[C@H](C)[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000032503327 641337181 /nfs/dbraw/zinc/33/71/81/641337181.db2.gz ZGBWYPPIBRODSV-STQMWFEESA-N 2 0 228.380 1.861 50 0 BDAARP CC(C)[C@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958528496 644805043 /nfs/dbraw/zinc/80/50/43/644805043.db2.gz OYAGVKOBFLZHAV-JTQLQIEISA-N 2 0 228.380 1.641 50 0 BDAARP Nc1cc[nH+]cc1-c1ccc2c(c1)CC[C@@H]([NH3+])C2 ZINC000952849812 974048179 /nfs/dbraw/zinc/04/81/79/974048179.db2.gz RUJQNCXQYLEITO-CYBMUJFWSA-N 2 0 239.322 1.977 50 0 BDAARP c1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000006061233 342773348 /nfs/dbraw/zinc/77/33/48/342773348.db2.gz VZMAYQMDXZLZFZ-KGLIPLIRSA-N 2 0 216.328 1.728 50 0 BDAARP C[N@H+](CCCCCO)C[C@@]1(C)CC[NH+](C)C1 ZINC000032590359 342854261 /nfs/dbraw/zinc/85/42/61/342854261.db2.gz WLQIZYAPVJPSEU-CYBMUJFWSA-N 2 0 228.380 1.423 50 0 BDAARP COc1ccc(Cl)cc1NC(=[NH2+])NC(N)=[NH2+] ZINC000000531031 187300858 /nfs/dbraw/zinc/30/08/58/187300858.db2.gz PDTVBRINWYWWLT-UHFFFAOYSA-N 2 0 241.682 1.178 50 0 BDAARP CC(C)[NH2+]CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000170089290 361390872 /nfs/dbraw/zinc/39/08/72/361390872.db2.gz GSHCGAQTZRGXOG-CQSZACIVSA-N 2 0 239.407 1.402 50 0 BDAARP Cc1c[nH]c(CN(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000584885819 369034456 /nfs/dbraw/zinc/03/44/56/369034456.db2.gz LOTZLNLAMJLXFM-LLVKDONJSA-N 2 0 222.336 1.244 50 0 BDAARP C[N@H+](CCC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000067855727 383953005 /nfs/dbraw/zinc/95/30/05/383953005.db2.gz LVAMJBIFPIAFMK-CYBMUJFWSA-N 2 0 226.364 1.629 50 0 BDAARP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262680875 384606628 /nfs/dbraw/zinc/60/66/28/384606628.db2.gz XGGPDQSXYNFCCM-WOPDTQHZSA-N 2 0 241.379 1.055 50 0 BDAARP C[NH+](C)CCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000004751436 384698604 /nfs/dbraw/zinc/69/86/04/384698604.db2.gz JHEIOFIBTVJIHC-IHRRRGAJSA-N 2 0 240.391 1.564 50 0 BDAARP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000113207406 387114620 /nfs/dbraw/zinc/11/46/20/387114620.db2.gz HQUPZMSWMPHMLE-NSHDSACASA-N 2 0 234.343 1.951 50 0 BDAARP [NH3+]C[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000004384303 397925310 /nfs/dbraw/zinc/92/53/10/397925310.db2.gz UWOLTVQMHDWUBB-AWEZNQCLSA-N 2 0 218.344 1.900 50 0 BDAARP CCn1cc(CNC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000050539769 172169697 /nfs/dbraw/zinc/16/96/97/172169697.db2.gz MNEPNQLUPYFZLC-LBPRGKRZSA-N 2 0 236.363 1.334 50 0 BDAARP C[NH2+]Cc1cccc(OCCC[NH+](C)C)c1 ZINC000012370624 173389616 /nfs/dbraw/zinc/38/96/16/173389616.db2.gz ODWHICGCLWFLBT-UHFFFAOYSA-N 2 0 222.332 1.737 50 0 BDAARP COCC[N@@H+]1CC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000076461756 174311785 /nfs/dbraw/zinc/31/17/85/174311785.db2.gz SFIBYSBWEYMYQQ-LBPRGKRZSA-N 2 0 226.364 1.487 50 0 BDAARP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH3+])C[C@H](C)O1 ZINC000021952922 177267053 /nfs/dbraw/zinc/26/70/53/177267053.db2.gz OYLCGJSRLTUEOC-TXEJJXNPSA-N 2 0 234.343 1.755 50 0 BDAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000534636292 323156940 /nfs/dbraw/zinc/15/69/40/323156940.db2.gz WTPCSRGLJOXTNV-LXTVHRRPSA-N 2 0 246.354 1.389 50 0 BDAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C[C@H](O)c1ccccc1)C2 ZINC000534636293 323156947 /nfs/dbraw/zinc/15/69/47/323156947.db2.gz WTPCSRGLJOXTNV-XGUBFFRZSA-N 2 0 246.354 1.389 50 0 BDAARP C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000237465640 487473832 /nfs/dbraw/zinc/47/38/32/487473832.db2.gz UUWIBNAAKXLHST-MNOVXSKESA-N 2 0 241.379 1.055 50 0 BDAARP Cc1nc(CN2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)c[nH]1 ZINC000670438245 487487583 /nfs/dbraw/zinc/48/75/83/487487583.db2.gz OAZAXXFMKPJQHP-JSGCOSHPSA-N 2 0 248.374 1.634 50 0 BDAARP [NH3+]CC[C@@H]1C[N@H+](CCCc2cccnc2)CCO1 ZINC000244608575 527192682 /nfs/dbraw/zinc/19/26/82/527192682.db2.gz FEXPTXQPIWNNNX-CQSZACIVSA-N 2 0 249.358 1.064 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000757207446 582559098 /nfs/dbraw/zinc/55/90/98/582559098.db2.gz BFHFLCYJVCBITP-GHMZBOCLSA-N 2 0 244.342 1.523 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C[NH3+])CC[NH2+]1 ZINC000757215152 586440214 /nfs/dbraw/zinc/44/02/14/586440214.db2.gz VAYZECGCXGPINQ-MFKMUULPSA-N 2 0 244.342 1.871 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000757216150 586440695 /nfs/dbraw/zinc/44/06/95/586440695.db2.gz YBEQNHUUCFGELZ-WDEREUQCSA-N 2 0 244.342 1.523 50 0 BDAARP CC[N@@H+]1CCC[C@@H]1CNc1cc(C[NH3+])nc(C)n1 ZINC000067739806 636780702 /nfs/dbraw/zinc/78/07/02/636780702.db2.gz WVKUJRGFMPCNHO-GFCCVEGCSA-N 2 0 249.362 1.140 50 0 BDAARP [NH3+][C@H](C1CCCCCC1)C1(O)CC[NH2+]CC1 ZINC000958527959 644806039 /nfs/dbraw/zinc/80/60/39/644806039.db2.gz JSQBPAKASANOFZ-GFCCVEGCSA-N 2 0 226.364 1.399 50 0 BDAARP CCC[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958528416 644808177 /nfs/dbraw/zinc/80/81/77/644808177.db2.gz RLDXSNIXGOIJIX-PSIUFMSWSA-N 2 0 212.337 1.102 50 0 BDAARP C[C@H]1CCC[N@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000521396912 259303947 /nfs/dbraw/zinc/30/39/47/259303947.db2.gz CWBHGGLGUBHORA-LBPRGKRZSA-N 2 0 238.379 1.047 50 0 BDAARP Cc1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1C ZINC000000470763 342688225 /nfs/dbraw/zinc/68/82/25/342688225.db2.gz VFRGNRZIYZQAOC-UHFFFAOYSA-N 2 0 205.265 1.133 50 0 BDAARP COc1cc(C[NH3+])ccc1OCCC[NH+](C)C ZINC000011961944 342845478 /nfs/dbraw/zinc/84/54/78/342845478.db2.gz KPBKPNYPFUQBAD-UHFFFAOYSA-N 2 0 238.331 1.484 50 0 BDAARP C[NH+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000011799267 187250415 /nfs/dbraw/zinc/25/04/15/187250415.db2.gz DWBYXARWRLJDFK-UHFFFAOYSA-N 2 0 208.305 1.128 50 0 BDAARP C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000072323952 187276897 /nfs/dbraw/zinc/27/68/97/187276897.db2.gz QROOVRUKCMDFKC-UONOGXRCSA-N 2 0 237.391 1.156 50 0 biogenic BDAARP CCN1CCC[C@@H](C[NH2+]C)[C@@H]1c1cnn(C)c1 ZINC000070278892 343950434 /nfs/dbraw/zinc/95/04/34/343950434.db2.gz DFUPEVKUTOENMN-WCQYABFASA-N 2 0 236.363 1.413 50 0 BDAARP Cc1cccc(Cl)c1NC(=[NH2+])NC(N)=[NH2+] ZINC000020286640 179107517 /nfs/dbraw/zinc/10/75/17/179107517.db2.gz CZXQEOKTDYBKLL-UHFFFAOYSA-N 2 0 225.683 1.478 50 0 BDAARP CCCSCC[NH2+]C1CC[NH2+]CC1 ZINC000067975299 169339826 /nfs/dbraw/zinc/33/98/26/169339826.db2.gz ACFZFTFMJSZLMV-UHFFFAOYSA-N 2 0 202.367 1.471 50 0 BDAARP c1nc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)c[nH]1 ZINC000067789068 383946524 /nfs/dbraw/zinc/94/65/24/383946524.db2.gz KSOWCHNXIXYGBU-UHFFFAOYSA-N 3 0 248.374 1.765 50 0 BDAARP C[N@H+](CCc1ccccn1)CC1CC[NH+](C)CC1 ZINC000071915661 384191873 /nfs/dbraw/zinc/19/18/73/384191873.db2.gz KFGATQGHQDSJGM-UHFFFAOYSA-N 2 0 247.386 1.898 50 0 BDAARP c1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000042783432 384243844 /nfs/dbraw/zinc/24/38/44/384243844.db2.gz ZBFILZDQJHWAFT-GFCCVEGCSA-N 2 0 216.328 1.654 50 0 BDAARP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000044527935 385309212 /nfs/dbraw/zinc/30/92/12/385309212.db2.gz ZSXRVWIWZUXCGB-LBPRGKRZSA-N 2 0 220.316 1.563 50 0 BDAARP C[NH+](C)CCn1c(N)[nH+]c2ccccc21 ZINC000000186860 385279206 /nfs/dbraw/zinc/27/92/06/385279206.db2.gz ZILUPJDRTVRYTK-UHFFFAOYSA-N 2 0 204.277 1.180 50 0 BDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1CN(Cc1cc(C3CC3)on1)C2 ZINC000299784302 386490386 /nfs/dbraw/zinc/49/03/86/386490386.db2.gz GLXSCFNSPWWAOQ-YABSGUDNSA-N 2 0 247.342 1.721 50 0 BDAARP COCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000089410275 387379367 /nfs/dbraw/zinc/37/93/67/387379367.db2.gz PSODIZHFTMSKDU-UHFFFAOYSA-N 2 0 235.331 1.240 50 0 BDAARP CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000012481794 388719647 /nfs/dbraw/zinc/71/96/47/388719647.db2.gz DIQREXVGAWIWBR-IRCOFANPSA-N 2 0 214.353 1.076 50 0 BDAARP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)C(C)(C)C ZINC000095421917 388769116 /nfs/dbraw/zinc/76/91/16/388769116.db2.gz KIRVRSRUXYZZDN-YNEHKIRRSA-N 2 0 240.391 1.874 50 0 BDAARP CC(C)[NH2+][C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244787573 167132452 /nfs/dbraw/zinc/13/24/52/167132452.db2.gz PZOAGNQGVNNCCN-AVGNSLFASA-N 2 0 226.364 1.124 50 0 BDAARP CN1CCC[C@@](O)(C[N@H+](C)Cc2ccccc2)C1 ZINC000046087336 411156559 /nfs/dbraw/zinc/15/65/59/411156559.db2.gz XJDCRAHXXSHJIO-HNNXBMFYSA-N 2 0 248.370 1.575 50 0 BDAARP CC[NH+]1CCN(C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000034792348 169993264 /nfs/dbraw/zinc/99/32/64/169993264.db2.gz WOKYNTLBARCHPE-ZDUSSCGKSA-N 2 0 225.380 1.156 50 0 BDAARP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000004312830 170280261 /nfs/dbraw/zinc/28/02/61/170280261.db2.gz NCCMYMPJFQWVCO-NSHDSACASA-N 2 0 240.347 1.014 50 0 BDAARP CCn1cc(CNC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000050539770 172171706 /nfs/dbraw/zinc/17/17/06/172171706.db2.gz MNEPNQLUPYFZLC-GFCCVEGCSA-N 2 0 236.363 1.334 50 0 BDAARP C[N@@H+]1CCCN(c2ccccc2C[NH3+])CC1 ZINC000012370644 173018959 /nfs/dbraw/zinc/01/89/59/173018959.db2.gz YLJBTEMLBKZLIT-UHFFFAOYSA-N 2 0 219.332 1.287 50 0 BDAARP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203929 173370973 /nfs/dbraw/zinc/37/09/73/173370973.db2.gz ZSYALYBRMVKYAS-ZDUSSCGKSA-N 2 0 204.317 1.728 50 0 BDAARP C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000019776972 173389570 /nfs/dbraw/zinc/38/95/70/173389570.db2.gz IRNGMQPGWPHNFO-UHFFFAOYSA-N 2 0 208.305 1.346 50 0 BDAARP COCC[NH2+]CC1(c2ccccc2)CC[NH2+]CC1 ZINC000062943871 174332648 /nfs/dbraw/zinc/33/26/48/174332648.db2.gz YTIVVZLGSOGGFS-UHFFFAOYSA-N 2 0 248.370 1.544 50 0 BDAARP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000020283792 177261937 /nfs/dbraw/zinc/26/19/37/177261937.db2.gz PJSHESVXOXQVEU-TXEJJXNPSA-N 2 0 234.343 1.755 50 0 BDAARP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000026897155 177265059 /nfs/dbraw/zinc/26/50/59/177265059.db2.gz MGTFEKWKCLDVNN-AAEUAGOBSA-N 2 0 204.317 1.856 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]CCC[C@@H]1C[NH3+] ZINC000757212121 586438987 /nfs/dbraw/zinc/43/89/87/586438987.db2.gz LZUFYKYGKBUOOE-QMTHXVAHSA-N 2 0 244.342 1.871 50 0 BDAARP CC(C)(C)C[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527542 644804621 /nfs/dbraw/zinc/80/46/21/644804621.db2.gz CDSAAICTGQNPMB-NUVITONLSA-N 2 0 226.364 1.395 50 0 BDAARP CC/C=C(\C)CN1CCN2CC[N@H+](C)C[C@@H]2C1 ZINC000065375272 712389349 /nfs/dbraw/zinc/38/93/49/712389349.db2.gz VMUOXXHUFBPPIN-BRRGFWCPSA-N 2 0 237.391 1.274 50 0 BDAARP C[N@H+](CCC(C)(C)O)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823690491 968555121 /nfs/dbraw/zinc/55/51/21/968555121.db2.gz YLFHIRMBVLELPH-LBPRGKRZSA-N 2 0 242.407 1.810 50 0 BDAARP C[NH+]1CCC(C)(C[NH2+]Cc2ccncc2N)CC1 ZINC000585118579 398172536 /nfs/dbraw/zinc/17/25/36/398172536.db2.gz UTHNNCGOGGDWRG-UHFFFAOYSA-N 2 0 248.374 1.485 50 0 BDAARP Cc1[nH]c(C)c(C[NH+](C)C)c1C[NH+](C)C ZINC000001589978 342704613 /nfs/dbraw/zinc/70/46/13/342704613.db2.gz IWCTUQVJGXUFIL-UHFFFAOYSA-N 2 0 209.337 1.755 50 0 in-vitro BDAARP CC[NH+](CC)CCCNC1CC[NH+](C)CC1 ZINC000002518431 342722280 /nfs/dbraw/zinc/72/22/80/342722280.db2.gz ZPGIBQNQYWZCOF-UHFFFAOYSA-N 2 0 227.396 1.402 50 0 BDAARP CC[NH+](CC)CCN(C)CC[NH+](CC)CC ZINC000019365679 342946954 /nfs/dbraw/zinc/94/69/54/342946954.db2.gz PHDLNXKJCPLCRO-UHFFFAOYSA-N 2 0 229.412 1.602 50 0 BDAARP C[N@@H+]1[C@H](c2ccccc2)[C@H](C[NH3+])C[C@]1(C)CO ZINC000101006166 343399569 /nfs/dbraw/zinc/39/95/69/343399569.db2.gz KPPJHGVBDBRRCV-BFHYXJOUSA-N 2 0 234.343 1.389 50 0 BDAARP CC(C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000147744366 537954857 /nfs/dbraw/zinc/95/48/57/537954857.db2.gz OQABPTHCRBLCGL-UHFFFAOYSA-N 2 0 205.305 1.612 50 0 BDAARP CSc1ccccc1NC(=[NH2+])NC(N)=[NH2+] ZINC000020459009 347451346 /nfs/dbraw/zinc/45/13/46/347451346.db2.gz RGVSKKLRICJSNS-UHFFFAOYSA-N 2 0 223.305 1.238 50 0 BDAARP Cc1ccc(C[NH2+]CCOCC[NH+](C)C)s1 ZINC000097101485 490317627 /nfs/dbraw/zinc/31/76/27/490317627.db2.gz CXYBDRXXZQQIER-UHFFFAOYSA-N 2 0 242.388 1.724 50 0 BDAARP C[NH+](C)C[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000601014764 350330080 /nfs/dbraw/zinc/33/00/80/350330080.db2.gz BUUNJRAKOZFHMS-QWHCGFSZSA-N 2 0 204.317 1.551 50 0 BDAARP [NH3+]CCCOc1ccc(OCCC[NH3+])cc1 ZINC000002510531 181384745 /nfs/dbraw/zinc/38/47/45/181384745.db2.gz CJCOYIXVZLLXHJ-UHFFFAOYSA-N 2 0 224.304 1.142 50 0 BDAARP OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000097103406 183147104 /nfs/dbraw/zinc/14/71/04/183147104.db2.gz KQFOABMTUWWMLQ-CQSZACIVSA-N 2 0 240.391 1.709 50 0 BDAARP CCC[NH+]1CCC(N(CC)CC[NH+](C)C)CC1 ZINC000019636868 169186557 /nfs/dbraw/zinc/18/65/57/169186557.db2.gz ZVSKCAFIZRYDMJ-UHFFFAOYSA-N 2 0 241.423 1.744 50 0 BDAARP CCC[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000000761389 169188479 /nfs/dbraw/zinc/18/84/79/169188479.db2.gz IOJCZYQFRHHJQA-UHFFFAOYSA-N 2 0 240.391 1.754 50 0 BDAARP C[N@H+](CCC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000067855729 383951722 /nfs/dbraw/zinc/95/17/22/383951722.db2.gz LVAMJBIFPIAFMK-ZDUSSCGKSA-N 2 0 226.364 1.629 50 0 BDAARP c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000004203027 384044625 /nfs/dbraw/zinc/04/46/25/384044625.db2.gz AOBSJQWEYXEPBK-BETUJISGSA-N 2 0 202.301 1.338 50 0 BDAARP c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000004203956 384044910 /nfs/dbraw/zinc/04/49/10/384044910.db2.gz VZMAYQMDXZLZFZ-UONOGXRCSA-N 2 0 216.328 1.728 50 0 BDAARP [NH3+]C[C@@H](C[NH+]1CCCC1)[C@H](O)c1ccccc1 ZINC000020283105 384608897 /nfs/dbraw/zinc/60/88/97/384608897.db2.gz UZWVWBHOYQMCCA-UONOGXRCSA-N 2 0 234.343 1.391 50 0 BDAARP Cc1cccc(N2CC[N@@H+](CCC[NH3+])C[C@H]2C)c1 ZINC000101251096 384669511 /nfs/dbraw/zinc/66/95/11/384669511.db2.gz BEJBDSYKNRUYOV-CQSZACIVSA-N 2 0 247.386 1.854 50 0 BDAARP Cc1n[nH]cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000105454211 387933433 /nfs/dbraw/zinc/93/34/33/387933433.db2.gz NRFOKTKPVIZCIG-UHFFFAOYSA-N 2 0 236.363 1.540 50 0 BDAARP Cc1n[nH]cc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037648932 388475105 /nfs/dbraw/zinc/47/51/05/388475105.db2.gz VVAMSZZBDDNAGD-LLVKDONJSA-N 2 0 234.347 1.292 50 0 BDAARP Cc1cccc(N2CC[NH+](CCCC[NH3+])CC2)c1 ZINC000011805329 132320657 /nfs/dbraw/zinc/32/06/57/132320657.db2.gz QHPQSVBCZGRFSE-UHFFFAOYSA-N 2 0 247.386 1.856 50 0 BDAARP C[NH+]1CCN(c2ccc(F)cc2C[NH3+])CC1 ZINC000037235997 132343922 /nfs/dbraw/zinc/34/39/22/132343922.db2.gz AOMZOFLJBIZANN-UHFFFAOYSA-N 2 0 223.295 1.036 50 0 BDAARP CC(C)(C)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069590064 166587141 /nfs/dbraw/zinc/58/71/41/166587141.db2.gz RXNIHOYMCVPTCU-UHFFFAOYSA-N 2 0 228.380 1.326 50 0 BDAARP CC[NH+](CC)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000096663619 169802535 /nfs/dbraw/zinc/80/25/35/169802535.db2.gz BXYHVTYSEQGSDK-LLVKDONJSA-N 2 0 212.337 1.239 50 0 BDAARP C[N@@H+]1CCCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000019364639 173016637 /nfs/dbraw/zinc/01/66/37/173016637.db2.gz MSLZRDIUXASDJH-UHFFFAOYSA-N 2 0 233.359 1.283 50 0 BDAARP C[NH2+]CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000082581725 173338482 /nfs/dbraw/zinc/33/84/82/173338482.db2.gz MFQFQSAUKBHLNB-ZDUSSCGKSA-N 2 0 226.364 1.344 50 0 BDAARP C[NH2+]Cc1ccccc1N1CCC[N@H+](C)CC1 ZINC000012370647 173390349 /nfs/dbraw/zinc/39/03/49/173390349.db2.gz OEVIJYRNRIFBSO-UHFFFAOYSA-N 2 0 233.359 1.548 50 0 BDAARP COc1ccc(OC)c([C@](C)(C[NH3+])CC[NH3+])c1 ZINC000002168181 175169720 /nfs/dbraw/zinc/16/97/20/175169720.db2.gz BWWQVJSNLDLCEH-ZDUSSCGKSA-N 2 0 238.331 1.269 50 0 BDAARP COc1ccc([C@@H]2[C@@H](C[NH3+])CC[N@@H+]2C)cc1 ZINC000098210160 175186495 /nfs/dbraw/zinc/18/64/95/175186495.db2.gz LDYZMXLDCPUKFZ-DGCLKSJQSA-N 2 0 220.316 1.647 50 0 BDAARP COc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000010434678 175263531 /nfs/dbraw/zinc/26/35/31/175263531.db2.gz AVJUQKQROJHOAG-UHFFFAOYSA-N 2 0 234.343 1.784 50 0 BDAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC[NH+](C)C ZINC000033748268 176278712 /nfs/dbraw/zinc/27/87/12/176278712.db2.gz ZFMHJCHHDNGZAM-JHJVBQTASA-N 2 0 227.396 1.256 50 0 BDAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC[NH+](C)C ZINC000033748270 177330510 /nfs/dbraw/zinc/33/05/10/177330510.db2.gz ZFMHJCHHDNGZAM-FRRDWIJNSA-N 2 0 227.396 1.256 50 0 BDAARP C[NH+](C)CCOCC[NH2+]CC(C)(C)C ZINC000097101487 490317548 /nfs/dbraw/zinc/31/75/48/490317548.db2.gz TWOJPSNXCLKSPZ-UHFFFAOYSA-N 2 0 202.342 1.200 50 0 BDAARP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCSC1 ZINC000244601748 523846106 /nfs/dbraw/zinc/84/61/06/523846106.db2.gz DRHJDVZKNVDIRZ-QWRGUYRKSA-N 2 0 214.378 1.566 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H]([NH3+])CC[NH2+]1 ZINC000757213729 586439844 /nfs/dbraw/zinc/43/98/44/586439844.db2.gz QSUFMVQCIBPYSA-SKDRFNHKSA-N 2 0 230.315 1.623 50 0 BDAARP CC[NH+](CC)CCOc1ccc(C[NH3+])cc1 ZINC000001670262 342707723 /nfs/dbraw/zinc/70/77/23/342707723.db2.gz LFPUFCAIFUNCLI-UHFFFAOYSA-N 2 0 222.332 1.866 50 0 BDAARP C[N@H+](CC1CCOCC1)C1CC[NH2+]CC1 ZINC000042783292 343452766 /nfs/dbraw/zinc/45/27/66/343452766.db2.gz HSTRRCCFFJDGRT-UHFFFAOYSA-N 2 0 212.337 1.097 50 0 BDAARP C1CSC2(CCC3(CC2)[NH2+]CCS3)[NH2+]1 ZINC000043827932 343485367 /nfs/dbraw/zinc/48/53/67/343485367.db2.gz DTZNNESIEKXRTI-UHFFFAOYSA-N 2 0 230.402 1.626 50 0 BDAARP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000051576737 179080145 /nfs/dbraw/zinc/08/01/45/179080145.db2.gz AXRWQPDGOZGYOY-NSHDSACASA-N 2 0 205.305 1.171 50 0 BDAARP Cc1n[nH]c(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067819943 179822124 /nfs/dbraw/zinc/82/21/24/179822124.db2.gz XBBUFGPTEWYXIT-UHFFFAOYSA-N 2 0 248.374 1.602 50 0 BDAARP CN(CC[NH+]1CCCC1)CC[NH+]1CCCC1 ZINC000036640150 361375146 /nfs/dbraw/zinc/37/51/46/361375146.db2.gz AILLAWANBGDQQB-UHFFFAOYSA-N 2 0 225.380 1.110 50 0 BDAARP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000100914618 368377377 /nfs/dbraw/zinc/37/73/77/368377377.db2.gz AZKBNPLDOBTBBR-MELADBBJSA-N 2 0 216.328 1.856 50 0 BDAARP CC(C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069322134 370915633 /nfs/dbraw/zinc/91/56/33/370915633.db2.gz UCVZJDPZFYOQOJ-UHFFFAOYSA-N 2 0 226.364 1.439 50 0 BDAARP CCCCN(CCCC)C(=[NH2+])NC(N)=[NH2+] ZINC000004183468 168805230 /nfs/dbraw/zinc/80/52/30/168805230.db2.gz DRFIDKXKHBUJDB-UHFFFAOYSA-N 2 0 213.329 1.306 50 0 BDAARP Nc1[nH+]c2ccccc2n1CC[NH+]1CCCC1 ZINC000000186853 181794086 /nfs/dbraw/zinc/79/40/86/181794086.db2.gz TWYNWMMHDUDLKS-UHFFFAOYSA-N 2 0 230.315 1.714 50 0 BDAARP OCC[NH+]1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000069431879 183071502 /nfs/dbraw/zinc/07/15/02/183071502.db2.gz PYUNDLJJQHJREK-UHFFFAOYSA-N 2 0 238.331 1.074 50 0 BDAARP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000002511731 383969208 /nfs/dbraw/zinc/96/92/08/383969208.db2.gz IBSQNIPUVCQZAC-ZDUSSCGKSA-N 2 0 204.317 1.857 50 0 BDAARP C[NH+](C)CC1CC[NH+]([C@@H]2CCCC(=O)C2)CC1 ZINC000093730878 384265531 /nfs/dbraw/zinc/26/55/31/384265531.db2.gz PSWABFJKOZJEBV-CYBMUJFWSA-N 2 0 238.375 1.772 50 0 BDAARP C[NH+](C)CCCOc1cccc(C[NH3+])c1 ZINC000011957310 384304266 /nfs/dbraw/zinc/30/42/66/384304266.db2.gz VRMIFLYRNDVHIN-UHFFFAOYSA-N 2 0 208.305 1.476 50 0 BDAARP C[NH+](C)CCCOc1ccc(C[NH3+])cc1 ZINC000011799516 384297621 /nfs/dbraw/zinc/29/76/21/384297621.db2.gz UGICLWAMZSRUPM-UHFFFAOYSA-N 2 0 208.305 1.476 50 0 BDAARP CC[C@H]([NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000075772303 384335735 /nfs/dbraw/zinc/33/57/35/384335735.db2.gz GRAAOXUBCOHRGS-KBPBESRZSA-N 2 0 234.343 1.625 50 0 BDAARP C[NH+](C)CCCn1c2ccccc2nc1C[NH3+] ZINC000019734203 384535948 /nfs/dbraw/zinc/53/59/48/384535948.db2.gz QYSXQYFHVWBQKT-UHFFFAOYSA-N 2 0 232.331 1.447 50 0 BDAARP CC[C@H]([NH3+])C(=O)Nc1ccc(C)nc1C ZINC000087152340 384743132 /nfs/dbraw/zinc/74/31/32/384743132.db2.gz XSCZHKPFGOTFEL-VIFPVBQESA-N 2 0 207.277 1.374 50 0 BDAARP [NH3+]CC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000026472416 384876702 /nfs/dbraw/zinc/87/67/02/384876702.db2.gz ZWNMRNMIZKFLBZ-ZDUSSCGKSA-N 2 0 220.316 1.236 50 0 BDAARP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000096492059 385232594 /nfs/dbraw/zinc/23/25/94/385232594.db2.gz MTVSZIOPBPOQPB-OCCSQVGLSA-N 2 0 240.391 1.875 50 0 BDAARP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034061593 385273797 /nfs/dbraw/zinc/27/37/97/385273797.db2.gz MVLOUNCMDFCYHO-YPMHNXCESA-N 2 0 204.317 1.856 50 0 BDAARP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000051990730 386778986 /nfs/dbraw/zinc/77/89/86/386778986.db2.gz BFYSADBFTABSCZ-KGLIPLIRSA-N 2 0 240.391 1.752 50 0 BDAARP C[C@@H]([NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000019872022 132328442 /nfs/dbraw/zinc/32/84/42/132328442.db2.gz HLPGRTXQCLEWBN-SNVBAGLBSA-N 2 0 237.322 1.597 50 0 BDAARP Nc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000261611548 135243467 /nfs/dbraw/zinc/24/34/67/135243467.db2.gz AAGBQRFRDCVRIY-UHFFFAOYSA-N 2 0 219.332 1.440 50 0 BDAARP CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000035570350 168052775 /nfs/dbraw/zinc/05/27/75/168052775.db2.gz YDQYORVMGACBMI-UHFFFAOYSA-N 2 0 204.317 2.000 50 0 BDAARP C[NH+]1CCC(NCC[NH+]2CCCCC2)CC1 ZINC000022455562 172995925 /nfs/dbraw/zinc/99/59/25/172995925.db2.gz ANZSFPFKKQXSPA-UHFFFAOYSA-N 2 0 225.380 1.156 50 0 BDAARP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCSC1 ZINC000023279925 173052329 /nfs/dbraw/zinc/05/23/29/173052329.db2.gz DRHJDVZKNVDIRZ-MNOVXSKESA-N 2 0 214.378 1.566 50 0 BDAARP COCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047968169 174228056 /nfs/dbraw/zinc/22/80/56/174228056.db2.gz ZAIPGLFBKWSBJN-UHFFFAOYSA-N 2 0 240.391 1.831 50 0 BDAARP COC[C@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067726552 174546383 /nfs/dbraw/zinc/54/63/83/174546383.db2.gz DOGCZUJGQWUXKW-LBPRGKRZSA-N 2 0 240.391 1.923 50 0 BDAARP CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000245204229 522228033 /nfs/dbraw/zinc/22/80/33/522228033.db2.gz DIQREXVGAWIWBR-DDHJBXDOSA-N 2 0 214.353 1.076 50 0 BDAARP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCSC1 ZINC000244601749 523823614 /nfs/dbraw/zinc/82/36/14/523823614.db2.gz DRHJDVZKNVDIRZ-WDEREUQCSA-N 2 0 214.378 1.566 50 0 BDAARP C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1c1ccccc1 ZINC000238853800 524018760 /nfs/dbraw/zinc/01/87/60/524018760.db2.gz LEIAGDQCKRSLTQ-YNEHKIRRSA-N 2 0 202.301 1.509 50 0 BDAARP C1C[C@H]2[C@H]3C[NH2+]C[C@H]3[C@@H]1[N@H+]2[C@H]1CCCSC1 ZINC000426486514 635726018 /nfs/dbraw/zinc/72/60/18/635726018.db2.gz VZDHRWSHNQXWAD-IEECTRCBSA-N 2 0 238.400 1.564 50 0 BDAARP CC(C)(C)C[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527543 644805100 /nfs/dbraw/zinc/80/51/00/644805100.db2.gz CDSAAICTGQNPMB-YIVACMHISA-N 2 0 226.364 1.395 50 0 BDAARP [NH3+][C@H](C1CCCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528569 644807850 /nfs/dbraw/zinc/80/78/50/644807850.db2.gz VFSCKUSRFPFELG-DAAZQVBGSA-N 2 0 224.348 1.149 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000250645224 398296695 /nfs/dbraw/zinc/29/66/95/398296695.db2.gz JWYKYWJRWSXJPQ-UONOGXRCSA-N 2 0 216.328 1.870 50 0 BDAARP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000011891273 342844281 /nfs/dbraw/zinc/84/42/81/342844281.db2.gz RHENEKJMZAABBP-CYBMUJFWSA-N 2 0 204.317 1.776 50 0 BDAARP CC[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000021951886 343029191 /nfs/dbraw/zinc/02/91/91/343029191.db2.gz SAUDSDDZIRPWMO-UHFFFAOYSA-N 2 0 233.359 1.283 50 0 BDAARP CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000022029479 343037049 /nfs/dbraw/zinc/03/70/49/343037049.db2.gz LAXHKLZXVYCQDQ-HUUCEWRRSA-N 2 0 248.370 1.794 50 0 BDAARP C[N@H+](CC[C@H]1CCCC[NH2+]1)CC1CCOCC1 ZINC000042783342 343452952 /nfs/dbraw/zinc/45/29/52/343452952.db2.gz GHWRNNMNOVUCDF-CQSZACIVSA-N 2 0 240.391 1.877 50 0 BDAARP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC2)C[C@@H]1C ZINC000309040256 538110183 /nfs/dbraw/zinc/11/01/83/538110183.db2.gz KSPRLIGDOJXHNA-SRVKXCTJSA-N 2 0 228.405 1.954 50 0 BDAARP CC(C)=CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000096497128 188188885 /nfs/dbraw/zinc/18/88/85/188188885.db2.gz CTYNSGJKJVHHSR-UHFFFAOYSA-N 2 0 239.407 1.522 50 0 BDAARP NC(=[NH2+])NC(=[NH2+])Nc1cccc(Cl)c1 ZINC000015924305 181187710 /nfs/dbraw/zinc/18/77/10/181187710.db2.gz DIHXJZHAIHGSAW-UHFFFAOYSA-N 2 0 211.656 1.170 50 0 in-vitro BDAARP CC(C)[NH2+]CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000170089293 361391073 /nfs/dbraw/zinc/39/10/73/361391073.db2.gz GSHCGAQTZRGXOG-AWEZNQCLSA-N 2 0 239.407 1.402 50 0 BDAARP [NH3+]C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000036754353 181344079 /nfs/dbraw/zinc/34/40/79/181344079.db2.gz RTCCBXUCXOWATE-UHFFFAOYSA-N 2 0 247.342 1.438 50 0 BDAARP [NH3+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019428185 181380965 /nfs/dbraw/zinc/38/09/65/181380965.db2.gz DQZBCJSBHYEUAY-UHFFFAOYSA-N 2 0 233.359 1.153 50 0 BDAARP C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000039348982 368375881 /nfs/dbraw/zinc/37/58/81/368375881.db2.gz TWPUPYDZIUZHII-ZIAGYGMSSA-N 2 0 216.328 1.680 50 0 BDAARP C[NH+](C)CC(C)(C)CNC1CC[NH+](C)CC1 ZINC000000181970 383840825 /nfs/dbraw/zinc/84/08/25/383840825.db2.gz NFLLYLNCPYLCOH-UHFFFAOYSA-N 2 0 227.396 1.258 50 0 BDAARP CN(C)CC(C[NH+](C)C)C(=O)c1ccccc1 ZINC000001571874 383906175 /nfs/dbraw/zinc/90/61/75/383906175.db2.gz CDASBFCBFLQVBG-UHFFFAOYSA-N 2 0 234.343 1.609 50 0 BDAARP [NH3+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000002884187 383990911 /nfs/dbraw/zinc/99/09/11/383990911.db2.gz FJHBXXSVOVHAEM-ZDUSSCGKSA-N 2 0 204.317 1.510 50 0 BDAARP c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000021982217 384712225 /nfs/dbraw/zinc/71/22/25/384712225.db2.gz AOBSJQWEYXEPBK-STQMWFEESA-N 2 0 202.301 1.338 50 0 BDAARP CC(C)[N@H+](C)CCNC(=[NH2+])Nc1ccccc1 ZINC000054108812 387151308 /nfs/dbraw/zinc/15/13/08/387151308.db2.gz GLWOMKQJPDRFNQ-UHFFFAOYSA-N 2 0 234.347 1.963 50 0 BDAARP C[NH+](C)CCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000248022009 387137996 /nfs/dbraw/zinc/13/79/96/387137996.db2.gz JHEIOFIBTVJIHC-MJBXVCDLSA-N 2 0 240.391 1.564 50 0 BDAARP CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004129039 387848998 /nfs/dbraw/zinc/84/89/98/387848998.db2.gz DIQREXVGAWIWBR-NNYUYHANSA-N 2 0 214.353 1.076 50 0 BDAARP C[NH+](C)CCC[NH2+]CCOc1ccccc1 ZINC000002822321 388480001 /nfs/dbraw/zinc/48/00/01/388480001.db2.gz ICYRHIUXZZPXCL-UHFFFAOYSA-N 2 0 222.332 1.607 50 0 BDAARP CN1CC[NH+](CCCC[NH2+]C2CCC2)CC1 ZINC000097056994 173079890 /nfs/dbraw/zinc/07/98/90/173079890.db2.gz AKPUWNTVJDPLOB-UHFFFAOYSA-N 2 0 225.380 1.156 50 0 BDAARP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000019090377 173120671 /nfs/dbraw/zinc/12/06/71/173120671.db2.gz DPPPALZSPFEMNV-QWHCGFSZSA-N 2 0 204.317 1.508 50 0 BDAARP C[NH2+]CC1CC[NH+](Cc2ccco2)CC1 ZINC000012370838 173338473 /nfs/dbraw/zinc/33/84/73/173338473.db2.gz LISJAFHYRUEIGV-UHFFFAOYSA-N 2 0 208.305 1.711 50 0 BDAARP C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000237378410 488151767 /nfs/dbraw/zinc/15/17/67/488151767.db2.gz UUWIBNAAKXLHST-GHMZBOCLSA-N 2 0 241.379 1.055 50 0 BDAARP C[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C[C@H]1C ZINC000239475417 524702841 /nfs/dbraw/zinc/70/28/41/524702841.db2.gz AOCAKCXXIXRELJ-YIYPIFLZSA-N 2 0 242.407 1.713 50 0 BDAARP CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960309 535452959 /nfs/dbraw/zinc/45/29/59/535452959.db2.gz SZIYLERKSNSGON-UHFFFAOYSA-N 2 0 205.305 1.660 50 0 BDAARP C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000006639098 536424651 /nfs/dbraw/zinc/42/46/51/536424651.db2.gz ODBJBJTVNVZQJV-UHFFFAOYSA-N 2 0 227.311 1.987 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C[NH3+])CC[NH2+]1 ZINC000757215143 582560492 /nfs/dbraw/zinc/56/04/92/582560492.db2.gz VAYZECGCXGPINQ-GWCFXTLKSA-N 2 0 244.342 1.871 50 0 BDAARP CC(C)CC[C@@H](C)[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000032503326 641336481 /nfs/dbraw/zinc/33/64/81/641336481.db2.gz ZGBWYPPIBRODSV-OLZOCXBDSA-N 2 0 228.380 1.861 50 0 BDAARP CN1CCC([N@H+](C)CCCCC[NH3+])CC1 ZINC000004226783 342744974 /nfs/dbraw/zinc/74/49/74/342744974.db2.gz AFOAHCIXSKJHJN-UHFFFAOYSA-N 2 0 213.369 1.141 50 0 BDAARP C[NH+]1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000014628702 342882896 /nfs/dbraw/zinc/88/28/96/342882896.db2.gz SANIFFZOCWUKQF-UHFFFAOYSA-N 2 0 219.332 1.513 50 0 BDAARP C[N@@H+]1[C@H](c2ccccc2)[C@H](C[NH3+])C[C@@]1(C)CO ZINC000101006158 343399502 /nfs/dbraw/zinc/39/95/02/343399502.db2.gz KPPJHGVBDBRRCV-MJBXVCDLSA-N 2 0 234.343 1.389 50 0 BDAARP NC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000057887564 181190711 /nfs/dbraw/zinc/19/07/11/181190711.db2.gz VQPHLYOMLYIOKO-UHFFFAOYSA-N 2 0 232.331 1.265 50 0 BDAARP Cc1c[nH+]c(C2CC2)n1C[C@H]1CC[NH2+]C1 ZINC000169793066 361130379 /nfs/dbraw/zinc/13/03/79/361130379.db2.gz LZVQFACSPWTNKD-JTQLQIEISA-N 2 0 205.305 1.678 50 0 BDAARP C[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000036996499 361591831 /nfs/dbraw/zinc/59/18/31/361591831.db2.gz KIFNVBDWODOUAK-ZIAGYGMSSA-N 2 0 237.391 1.297 50 0 BDAARP CC[NH+]1CCC(CC[NH2+][C@H](C)COC)CC1 ZINC000095968588 371363256 /nfs/dbraw/zinc/36/32/56/371363256.db2.gz PNAPWKSLQHAHMN-GFCCVEGCSA-N 2 0 228.380 1.733 50 0 BDAARP c1cncc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000071751483 383899019 /nfs/dbraw/zinc/89/90/19/383899019.db2.gz XVKLBIHHYYUJMV-HNNXBMFYSA-N 2 0 245.370 1.903 50 0 BDAARP CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000090801982 384075079 /nfs/dbraw/zinc/07/50/79/384075079.db2.gz YJFYCDVQSYBHPP-NSHDSACASA-N 2 0 249.362 1.288 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000082369457 384255309 /nfs/dbraw/zinc/25/53/09/384255309.db2.gz JWYKYWJRWSXJPQ-ZIAGYGMSSA-N 2 0 216.328 1.870 50 0 BDAARP [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237951332 384446098 /nfs/dbraw/zinc/44/60/98/384446098.db2.gz FVJRGVZTHWKIQJ-STQMWFEESA-N 2 0 247.342 1.026 50 0 BDAARP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CCCC1(C)C ZINC000090778311 387456217 /nfs/dbraw/zinc/45/62/17/387456217.db2.gz JXTGBXPGZWPMGC-YPMHNXCESA-N 2 0 228.380 1.467 50 0 BDAARP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000051691782 173144783 /nfs/dbraw/zinc/14/47/83/173144783.db2.gz QANVLWSAWQEYBR-LLVKDONJSA-N 2 0 232.331 1.575 50 0 BDAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccn1 ZINC000036907786 177370789 /nfs/dbraw/zinc/37/07/89/177370789.db2.gz LXSCDXAHRNDHAW-IPYPFGDCSA-N 2 0 247.386 1.942 50 0 BDAARP Cc1cnn(CCC[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC000534649237 323158249 /nfs/dbraw/zinc/15/82/49/323158249.db2.gz GVPMIEXRAMAJHH-BTTYYORXSA-N 2 0 248.374 1.251 50 0 BDAARP Cc1cccc(CC[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])n1 ZINC000534675267 323159003 /nfs/dbraw/zinc/15/90/03/323159003.db2.gz SZYCBGSDJYHKQW-NHAGDIPZSA-N 2 0 245.370 1.602 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)[C@@H]([NH3+])CN1 ZINC000757213821 582560756 /nfs/dbraw/zinc/56/07/56/582560756.db2.gz RBCUFBRFENJLTC-LQJRIPTKSA-N 2 0 244.342 1.869 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]C[C@@H]([NH3+])C1 ZINC000757213661 586439892 /nfs/dbraw/zinc/43/98/92/586439892.db2.gz QMJLECHKIBNFFM-UWVGGRQHSA-N 2 0 230.315 1.276 50 0 BDAARP C[C@H](c1cccc(C[NH2+][C@@H](C)C(N)=O)c1)[NH+](C)C ZINC000032586998 641395492 /nfs/dbraw/zinc/39/54/92/641395492.db2.gz DWUWHZMQUOHVPX-WDEREUQCSA-N 2 0 249.358 1.273 50 0 BDAARP CC(C)C[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527894 644806284 /nfs/dbraw/zinc/80/62/84/644806284.db2.gz IIVBGYMKLYLIOH-FBTJUVTCSA-N 2 0 212.337 1.005 50 0 BDAARP CC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000585092853 972131823 /nfs/dbraw/zinc/13/18/23/972131823.db2.gz QNCFKMNHLYQWOM-AWEZNQCLSA-N 2 0 249.358 1.860 50 0 BDAARP c1cn(CCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC001506421016 988777383 /nfs/dbraw/zinc/77/73/83/988777383.db2.gz DCLLYSBWIDWBLX-CQSZACIVSA-N 2 0 248.374 1.349 50 0 BDAARP [NH3+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000014007977 342875682 /nfs/dbraw/zinc/87/56/82/342875682.db2.gz AZKBNPLDOBTBBR-MCIONIFRSA-N 2 0 216.328 1.856 50 0 BDAARP CN1CCC([N@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032547752 343237364 /nfs/dbraw/zinc/23/73/64/343237364.db2.gz ABWYYHOOAAJGIN-CQSZACIVSA-N 2 0 240.391 1.972 50 0 BDAARP C(OC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000072233180 344518705 /nfs/dbraw/zinc/51/87/05/344518705.db2.gz YROWJYRDJMZVJW-TXEJJXNPSA-N 2 0 212.337 1.002 50 0 BDAARP C[NH+](C)C[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000601014763 350329702 /nfs/dbraw/zinc/32/97/02/350329702.db2.gz BUUNJRAKOZFHMS-OLZOCXBDSA-N 2 0 204.317 1.551 50 0 BDAARP CC(C)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959121 350815392 /nfs/dbraw/zinc/81/53/92/350815392.db2.gz NCRFAMFFTYOCHP-UHFFFAOYSA-N 2 0 240.391 1.687 50 0 BDAARP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000004342601 188102174 /nfs/dbraw/zinc/10/21/74/188102174.db2.gz ZHJBOQLHOJOBAN-UHFFFAOYSA-N 2 0 234.343 1.866 50 0 BDAARP CC(C)=CC[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069951842 188130250 /nfs/dbraw/zinc/13/02/50/188130250.db2.gz CLJFIEBPGYAULT-UHFFFAOYSA-N 2 0 240.391 1.589 50 0 BDAARP Cc1nccn1CC[NH2+][C@@H]1CCCSC1 ZINC000163976488 188215467 /nfs/dbraw/zinc/21/54/67/188215467.db2.gz MOIGSVSGOVHEED-LLVKDONJSA-N 2 0 225.361 1.677 50 0 BDAARP NC(=[NH2+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000059979668 181186473 /nfs/dbraw/zinc/18/64/73/181186473.db2.gz AUMRSSYNNREJES-UHFFFAOYSA-N 2 0 217.316 1.835 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000011888991 181365116 /nfs/dbraw/zinc/36/51/16/181365116.db2.gz KZGFXYFQDXOLOP-UHFFFAOYSA-N 2 0 210.346 1.919 50 0 BDAARP [NH3+]CCCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000001650373 181376612 /nfs/dbraw/zinc/37/66/12/181376612.db2.gz BFURQINQUKOEFD-UHFFFAOYSA-N 3 0 235.375 1.576 50 0 BDAARP [NH3+]CCC[NH2+]CCOCCOc1ccccc1 ZINC000002823909 181382117 /nfs/dbraw/zinc/38/21/17/181382117.db2.gz PWGUWMNICAVHJA-UHFFFAOYSA-N 2 0 238.331 1.020 50 0 BDAARP c1ccc(C[NH+]2CC3(C2)CC2(C[NH2+]C2)C3)cc1 ZINC000096024437 368382373 /nfs/dbraw/zinc/38/23/73/368382373.db2.gz AXJXDTHNAQAFIF-UHFFFAOYSA-N 2 0 228.339 1.872 50 0 BDAARP Cc1nc(NCCCC[NH+]2CCCC2)cc(N)[nH+]1 ZINC000091860438 384151752 /nfs/dbraw/zinc/15/17/52/384151752.db2.gz RQMZWBGOTKLZEI-UHFFFAOYSA-N 2 0 249.362 1.655 50 0 BDAARP [NH3+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000011888310 384302130 /nfs/dbraw/zinc/30/21/30/384302130.db2.gz ZCDGCAIFQPSTRB-SNVBAGLBSA-N 2 0 210.346 1.919 50 0 BDAARP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262680873 384417023 /nfs/dbraw/zinc/41/70/23/384417023.db2.gz XGGPDQSXYNFCCM-UTUOFQBUSA-N 2 0 241.379 1.055 50 0 BDAARP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000054954893 384862464 /nfs/dbraw/zinc/86/24/64/384862464.db2.gz BYNIUBOJBWXZCC-ZDUSSCGKSA-N 2 0 204.317 1.857 50 0 BDAARP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000096492061 385230717 /nfs/dbraw/zinc/23/07/17/385230717.db2.gz MTVSZIOPBPOQPB-TZMCWYRMSA-N 2 0 240.391 1.875 50 0 BDAARP CC[NH+](CC)CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191786811 387129367 /nfs/dbraw/zinc/12/93/67/387129367.db2.gz BUAATDNMODQKNF-CQSZACIVSA-N 2 0 239.407 1.498 50 0 BDAARP C[C@H]([NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000019872024 132328551 /nfs/dbraw/zinc/32/85/51/132328551.db2.gz HLPGRTXQCLEWBN-JTQLQIEISA-N 2 0 237.322 1.597 50 0 BDAARP C[NH+]1CCN(c2cccc(Cl)c2C[NH3+])CC1 ZINC000020469578 132331677 /nfs/dbraw/zinc/33/16/77/132331677.db2.gz BVURPFBTTYJQMR-UHFFFAOYSA-N 2 0 239.750 1.551 50 0 BDAARP Cc1ncn(CC[NH2+][C@H](C)CC[NH+](C)C)c1C ZINC000670470922 487529502 /nfs/dbraw/zinc/52/95/02/487529502.db2.gz FDSZPMKHBARVCR-LLVKDONJSA-N 2 0 238.379 1.430 50 0 BDAARP C[NH+]1CCC2(CC1)C[C@@H]1C[C@H]3C=C[C@]1(C[NH2+]2)O3 ZINC000000377052 173002439 /nfs/dbraw/zinc/00/24/39/173002439.db2.gz IOXUZCGQDWCBPF-OUCADQQQSA-N 2 0 234.343 1.158 50 0 biogenic BDAARP C[N@@H+]1CCN(CCC[NH3+])[C@H](c2ccccc2)C1 ZINC000036378428 173079354 /nfs/dbraw/zinc/07/93/54/173079354.db2.gz FUQKHHWJDXPBSM-AWEZNQCLSA-N 2 0 233.359 1.324 50 0 BDAARP C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019685486 173354223 /nfs/dbraw/zinc/35/42/23/173354223.db2.gz OHXXFNDRWMGSGD-UHFFFAOYSA-N 2 0 233.359 1.024 50 0 BDAARP C[NH2+]CCc1ccccc1CC1CC[NH2+]CC1 ZINC000001791385 173360383 /nfs/dbraw/zinc/36/03/83/173360383.db2.gz OUNQPNDQBGAGSI-UHFFFAOYSA-N 2 0 232.371 1.991 50 0 BDAARP COC1CC[NH+]([C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000037266113 174031153 /nfs/dbraw/zinc/03/11/53/174031153.db2.gz MUSCNOITVGNPJL-VXGBXAGGSA-N 2 0 212.337 1.367 50 0 BDAARP C[C@H]1C[NH+](Cc2ccccc2C[NH3+])C[C@H](C)O1 ZINC000021952924 177266158 /nfs/dbraw/zinc/26/61/58/177266158.db2.gz OYLCGJSRLTUEOC-RYUDHWBXSA-N 2 0 234.343 1.755 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000757216147 586440798 /nfs/dbraw/zinc/44/07/98/586440798.db2.gz YBEQNHUUCFGELZ-QWRGUYRKSA-N 2 0 244.342 1.523 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H](C[NH3+])C[NH2+]1 ZINC000757210018 643370143 /nfs/dbraw/zinc/37/01/43/643370143.db2.gz HCLMNDGTICJDNW-MFKMUULPSA-N 2 0 244.342 1.871 50 0 BDAARP CC(C)c1cccc([C@H]([NH3+])C2(O)CC[NH2+]CC2)c1 ZINC000958528077 644806134 /nfs/dbraw/zinc/80/61/34/644806134.db2.gz IZTHUQCXTUHADL-AWEZNQCLSA-N 2 0 248.370 1.924 50 0 BDAARP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891270 342844316 /nfs/dbraw/zinc/84/43/16/342844316.db2.gz RHENEKJMZAABBP-ZDUSSCGKSA-N 2 0 204.317 1.776 50 0 BDAARP CC[NH+]1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000019441022 342949106 /nfs/dbraw/zinc/94/91/06/342949106.db2.gz SKMMGODEKLPTHZ-UHFFFAOYSA-N 2 0 225.380 1.286 50 0 BDAARP C[C@H]([NH3+])CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019401759 342947747 /nfs/dbraw/zinc/94/77/47/342947747.db2.gz HERRMNLUNPHMHU-ZDUSSCGKSA-N 2 0 233.359 1.151 50 0 BDAARP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000042783387 343453174 /nfs/dbraw/zinc/45/31/74/343453174.db2.gz BABQSLBBCKVSAV-ZDUSSCGKSA-N 2 0 240.391 1.735 50 0 BDAARP c1ccc(C[NH+]2CCN([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000601013350 350330012 /nfs/dbraw/zinc/33/00/12/350330012.db2.gz NTYIEWSFWJIQFQ-OAHLLOKOSA-N 2 0 245.370 1.514 50 0 BDAARP CCc1nccn1-c1ccc(C[NH3+])cc1 ZINC000012395419 188104681 /nfs/dbraw/zinc/10/46/81/188104681.db2.gz PIIINBQRPSNTGY-UHFFFAOYSA-N 2 0 201.273 1.893 50 0 BDAARP CC(C)[NH+]1CCC([C@@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000065371415 188129770 /nfs/dbraw/zinc/12/97/70/188129770.db2.gz LVPBCLBQWICIHC-ZDUSSCGKSA-N 2 0 248.374 1.717 50 0 BDAARP NC(=[NH2+])SCCCCSC(N)=[NH2+] ZINC000012342736 181191942 /nfs/dbraw/zinc/19/19/42/181191942.db2.gz PTMXPRBEWOQFQC-UHFFFAOYSA-N 2 0 206.340 1.020 50 0 BDAARP CC[C@@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000075713398 359679618 /nfs/dbraw/zinc/67/96/18/359679618.db2.gz VNGBOZYZHRAYBQ-CQSZACIVSA-N 2 0 242.407 1.810 50 0 BDAARP C[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000036996500 361591728 /nfs/dbraw/zinc/59/17/28/361591728.db2.gz KIFNVBDWODOUAK-UONOGXRCSA-N 2 0 237.391 1.297 50 0 BDAARP CC(C)C[NH+]1CCC([NH2+]C[C@@H](C)CCO)CC1 ZINC000096478799 371498527 /nfs/dbraw/zinc/49/85/27/371498527.db2.gz YTPXAIGSIBBMHK-ZDUSSCGKSA-N 2 0 242.407 1.715 50 0 BDAARP CCC[NH+]1CCC([NH2+][C@@H](C)COC)CC1 ZINC000003683480 169189556 /nfs/dbraw/zinc/18/95/56/169189556.db2.gz NSXIIDDYXDGIDB-NSHDSACASA-N 2 0 214.353 1.485 50 0 BDAARP c1ccc([C@@H]2C[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000044675892 384351409 /nfs/dbraw/zinc/35/14/09/384351409.db2.gz BASFYRLYJAZPPL-UONOGXRCSA-N 2 0 216.328 1.884 50 0 in-vitro BDAARP OCC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000142984551 384713272 /nfs/dbraw/zinc/71/32/72/384713272.db2.gz PQYNBELSUDKGGR-UHFFFAOYSA-N 2 0 247.342 1.165 50 0 BDAARP c1ccc(OCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000034566418 385284827 /nfs/dbraw/zinc/28/48/27/385284827.db2.gz VVPXXCZQUVGKCW-UHFFFAOYSA-N 2 0 220.316 1.407 50 0 BDAARP Cc1ccc(O)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000091996122 398120275 /nfs/dbraw/zinc/12/02/75/398120275.db2.gz RBEGOPUINFJNEL-NSHDSACASA-N 2 0 249.358 1.655 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000250645223 487620284 /nfs/dbraw/zinc/62/02/84/487620284.db2.gz JWYKYWJRWSXJPQ-KBPBESRZSA-N 2 0 216.328 1.870 50 0 BDAARP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCCC1(C)C ZINC000090778313 172498514 /nfs/dbraw/zinc/49/85/14/172498514.db2.gz JXTGBXPGZWPMGC-DGCLKSJQSA-N 2 0 228.380 1.467 50 0 BDAARP C[N@@H+]1[C@H](c2ccccc2)[C@@H](C[NH3+])C[C@@]1(C)CO ZINC000012336751 173204991 /nfs/dbraw/zinc/20/49/91/173204991.db2.gz KPPJHGVBDBRRCV-MCIONIFRSA-N 2 0 234.343 1.389 50 0 BDAARP C[NH2+]CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000082581726 173338782 /nfs/dbraw/zinc/33/87/82/173338782.db2.gz MFQFQSAUKBHLNB-CYBMUJFWSA-N 2 0 226.364 1.344 50 0 BDAARP C[C@H]1C[NH+](Cc2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000020284089 177265559 /nfs/dbraw/zinc/26/55/59/177265559.db2.gz JCHXDLMFHVLZCH-RYUDHWBXSA-N 2 0 234.343 1.755 50 0 BDAARP CCSC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000670450629 487500210 /nfs/dbraw/zinc/50/02/10/487500210.db2.gz AOUSWDNRUDTJIG-NSHDSACASA-N 2 0 246.420 1.174 50 0 BDAARP O=C(NNc1cc[nH+]cc1)NNc1cc[nH+]cc1 ZINC000072332473 490397625 /nfs/dbraw/zinc/39/76/25/490397625.db2.gz NHBXNYBTUHFMRK-UHFFFAOYSA-N 2 0 244.258 1.130 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000757207454 582559687 /nfs/dbraw/zinc/55/96/87/582559687.db2.gz BFHFLCYJVCBITP-MNOVXSKESA-N 2 0 244.342 1.523 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000757207459 582560187 /nfs/dbraw/zinc/56/01/87/582560187.db2.gz BFHFLCYJVCBITP-WDEREUQCSA-N 2 0 244.342 1.523 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]C[C@H]([NH3+])C1 ZINC000757212165 586439021 /nfs/dbraw/zinc/43/90/21/586439021.db2.gz MFRPPDOBECEYQN-GXSJLCMTSA-N 2 0 230.315 1.276 50 0 BDAARP C[C@H]([NH2+]Cc1cccc([C@H](C)[NH+](C)C)c1)C(N)=O ZINC000032586999 641394805 /nfs/dbraw/zinc/39/48/05/641394805.db2.gz DWUWHZMQUOHVPX-QWRGUYRKSA-N 2 0 249.358 1.273 50 0 BDAARP CCOc1ccc(NC(=[NH2+])NC(=[NH2+])N(C)C)cc1 ZINC000022203590 643537477 /nfs/dbraw/zinc/53/74/77/643537477.db2.gz UWVKYXCULCJTPH-UHFFFAOYSA-N 2 0 249.318 1.518 50 0 BDAARP [NH3+][C@@H](C1CCCCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528573 644807334 /nfs/dbraw/zinc/80/73/34/644807334.db2.gz VIARUCQDEYOYPI-WJLOJVBCSA-N 2 0 238.375 1.540 50 0 BDAARP c1cc(NCC2(C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000820414116 968473076 /nfs/dbraw/zinc/47/30/76/968473076.db2.gz BISBYBAEGAUVJY-UHFFFAOYSA-N 2 0 231.343 1.791 50 0 BDAARP Cc1cccc(C[N@@H+](C)CCc2nccn2C)n1 ZINC001506401491 988773008 /nfs/dbraw/zinc/77/30/08/988773008.db2.gz INCBSCCWZDHZGG-UHFFFAOYSA-N 2 0 244.342 1.798 50 0 BDAARP Cc1cc(NCC[NH3+])c2ccccc2[nH+]1 ZINC000004129629 178162300 /nfs/dbraw/zinc/16/23/00/178162300.db2.gz JDSBUPUXYPOCOV-UHFFFAOYSA-N 2 0 201.273 1.914 50 0 BDAARP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000014007974 342875634 /nfs/dbraw/zinc/87/56/34/342875634.db2.gz AZKBNPLDOBTBBR-MGPQQGTHSA-N 2 0 216.328 1.856 50 0 BDAARP CC(C)[NH+](CCN1CC[NH2+]CC1)C(C)C ZINC000020026870 342966358 /nfs/dbraw/zinc/96/63/58/342966358.db2.gz IDWCYRNCJHGJAL-UHFFFAOYSA-N 2 0 213.369 1.010 50 0 BDAARP C[N@H+](CCC1CC[NH2+]CC1)CC1CCOCC1 ZINC000042783396 343453147 /nfs/dbraw/zinc/45/31/47/343453147.db2.gz WDZXRGOVSPEAMC-UHFFFAOYSA-N 2 0 240.391 1.735 50 0 BDAARP Cc1cccc(C)c1NC1=[NH+]C(C)(C)NC(=[NH2+])N1 ZINC000000203689 179043703 /nfs/dbraw/zinc/04/37/03/179043703.db2.gz OKHGGCCWIVGKKR-UHFFFAOYSA-N 2 0 245.330 1.725 50 0 BDAARP C(C1CCC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072131865 191004809 /nfs/dbraw/zinc/00/48/09/191004809.db2.gz RJXJTEJXCKHOPE-CYBMUJFWSA-N 2 0 208.349 1.862 50 0 BDAARP C/C(=C\c1ccco1)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000065369787 188129791 /nfs/dbraw/zinc/12/97/91/188129791.db2.gz OVRKLHUOGLNLQV-YTRUQHMWSA-N 2 0 220.316 1.964 50 0 BDAARP Fc1cnccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067908579 181020868 /nfs/dbraw/zinc/02/08/68/181020868.db2.gz NIMYRMKYSIJNKD-UHFFFAOYSA-N 2 0 249.333 1.796 50 0 BDAARP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)C[C@@H]1C ZINC000095968055 538611566 /nfs/dbraw/zinc/61/15/66/538611566.db2.gz KSPRLIGDOJXHNA-SDDRHHMPSA-N 2 0 228.405 1.954 50 0 BDAARP C1C[C@@H](C2CC[NH+](C3CCOCC3)CC2)C[NH2+]1 ZINC000169781751 361097753 /nfs/dbraw/zinc/09/77/53/361097753.db2.gz YHZQGDRNRDVPIM-CYBMUJFWSA-N 2 0 238.375 1.487 50 0 BDAARP [NH3+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000098180077 181370612 /nfs/dbraw/zinc/37/06/12/181370612.db2.gz LAXOSLOZUNLMBZ-UHFFFAOYSA-N 2 0 234.343 1.362 50 0 BDAARP CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959982 169187310 /nfs/dbraw/zinc/18/73/10/169187310.db2.gz YGXVKONARHNCHS-UHFFFAOYSA-N 2 0 226.364 1.441 50 0 BDAARP c1cc(C[NH2+]CC2CC[NH2+]CC2)cc2c1OCO2 ZINC000010434626 183367704 /nfs/dbraw/zinc/36/77/04/183367704.db2.gz NPPFYQFYFOYZMS-UHFFFAOYSA-N 2 0 248.326 1.505 50 0 BDAARP [NH3+][C@H]1CN(Cc2ccncc2)C[C@@H]1C1CC1 ZINC000091254423 384111798 /nfs/dbraw/zinc/11/17/98/384111798.db2.gz RUVLMUPQGPUMHW-OLZOCXBDSA-N 2 0 217.316 1.251 50 0 BDAARP [NH3+]C[C@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000011800147 384296786 /nfs/dbraw/zinc/29/67/86/384296786.db2.gz DIKWQIMBHCYMCJ-AWEZNQCLSA-N 2 0 218.344 1.900 50 0 BDAARP [NH3+]CCOc1ccccc1C[NH+]1CCCC1 ZINC000016941975 384472801 /nfs/dbraw/zinc/47/28/01/384472801.db2.gz UPXRCTBBERDIOR-UHFFFAOYSA-N 2 0 220.316 1.620 50 0 BDAARP CN(C)CC[NH2+]CCCc1ccccc1 ZINC000020056966 384570348 /nfs/dbraw/zinc/57/03/48/384570348.db2.gz LXWZLAHEJWPRSQ-UHFFFAOYSA-N 2 0 206.333 1.770 50 0 BDAARP [NH3+]C[C@@H](C[NH+]1CCCC1)[C@@H](O)c1ccccc1 ZINC000020283097 384610831 /nfs/dbraw/zinc/61/08/31/384610831.db2.gz UZWVWBHOYQMCCA-KBPBESRZSA-N 2 0 234.343 1.391 50 0 BDAARP [NH3+]CC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000026472409 384876990 /nfs/dbraw/zinc/87/69/90/384876990.db2.gz ZWNMRNMIZKFLBZ-CYBMUJFWSA-N 2 0 220.316 1.236 50 0 BDAARP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCCO2)CC1 ZINC000032541446 385984876 /nfs/dbraw/zinc/98/48/76/385984876.db2.gz QETWGALKWRVLME-CQSZACIVSA-N 2 0 240.391 1.970 50 0 BDAARP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2cccnc2)CC1 ZINC000238689463 386521877 /nfs/dbraw/zinc/52/18/77/386521877.db2.gz ICZUYTKVOMHSDO-HAQNSBGRSA-N 2 0 205.305 1.441 50 0 BDAARP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CCCC1(C)C ZINC000090778310 387455935 /nfs/dbraw/zinc/45/59/35/387455935.db2.gz JXTGBXPGZWPMGC-AAEUAGOBSA-N 2 0 228.380 1.467 50 0 BDAARP Cn1cncc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000105454136 387933146 /nfs/dbraw/zinc/93/31/46/387933146.db2.gz GSSCINYURSPMRG-UHFFFAOYSA-N 2 0 236.363 1.242 50 0 BDAARP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236790398 388595550 /nfs/dbraw/zinc/59/55/50/388595550.db2.gz XGGPDQSXYNFCCM-SRVKXCTJSA-N 2 0 241.379 1.055 50 0 BDAARP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000236789074 388596148 /nfs/dbraw/zinc/59/61/48/388596148.db2.gz XGGPDQSXYNFCCM-TUAOUCFPSA-N 2 0 241.379 1.055 50 0 BDAARP CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H]1CC[C@H](C[NH3+])CC1 ZINC000248163305 388674394 /nfs/dbraw/zinc/67/43/94/388674394.db2.gz MZBQCNOLQJOBNJ-DCAQKATOSA-N 2 0 242.363 1.421 50 0 BDAARP Cc1cccc(N2CC[N@@H+](CCC[NH3+])C[C@@H]2C)c1 ZINC000045796277 132355053 /nfs/dbraw/zinc/35/50/53/132355053.db2.gz BEJBDSYKNRUYOV-AWEZNQCLSA-N 2 0 247.386 1.854 50 0 BDAARP [NH3+]C[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000004384302 397925422 /nfs/dbraw/zinc/92/54/22/397925422.db2.gz UWOLTVQMHDWUBB-CQSZACIVSA-N 2 0 218.344 1.900 50 0 BDAARP CC[NH+](CC)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000096663620 169797904 /nfs/dbraw/zinc/79/79/04/169797904.db2.gz BXYHVTYSEQGSDK-NSHDSACASA-N 2 0 212.337 1.239 50 0 BDAARP CC[C@@H](C)[NH2+]CCNCC[NH2+][C@@H](C)CC ZINC000023477062 171340449 /nfs/dbraw/zinc/34/04/49/171340449.db2.gz GSCPTGNMEGRVNR-TXEJJXNPSA-N 2 0 215.385 1.352 50 0 BDAARP CCn1cc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000012357864 172163394 /nfs/dbraw/zinc/16/33/94/172163394.db2.gz XGRHQSKVJDZEPR-UHFFFAOYSA-N 2 0 222.336 1.074 50 0 BDAARP COCCC1(C[NH+]2CCC([NH3+])CC2)CCC1 ZINC000097095583 174154457 /nfs/dbraw/zinc/15/44/57/174154457.db2.gz HFSZRDCDWVUILS-UHFFFAOYSA-N 2 0 226.364 1.616 50 0 BDAARP COc1ccc(CC[NH+]2CCC([NH3+])CC2)cc1 ZINC000005720477 175090103 /nfs/dbraw/zinc/09/01/03/175090103.db2.gz HTGMIBQQTLUEKV-UHFFFAOYSA-N 2 0 234.343 1.661 50 0 BDAARP COc1ccc(C[NH3+])cc1OCCC[NH+](C)C ZINC000011801584 175096730 /nfs/dbraw/zinc/09/67/30/175096730.db2.gz BFITZJBDRCPQAY-UHFFFAOYSA-N 2 0 238.331 1.484 50 0 BDAARP COc1ccc([C@H]2[C@H](C[NH3+])CC[N@@H+]2C)cc1 ZINC000068592484 175199152 /nfs/dbraw/zinc/19/91/52/175199152.db2.gz LDYZMXLDCPUKFZ-AAEUAGOBSA-N 2 0 220.316 1.647 50 0 BDAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC[NH+](C)C ZINC000033748266 176277901 /nfs/dbraw/zinc/27/79/01/176277901.db2.gz ZFMHJCHHDNGZAM-UPJWGTAASA-N 2 0 227.396 1.256 50 0 BDAARP C[C@@H]1C[NH+](Cc2ccc(C[NH3+])cc2)C[C@@H](C)O1 ZINC000020283790 176303092 /nfs/dbraw/zinc/30/30/92/176303092.db2.gz PJSHESVXOXQVEU-VXGBXAGGSA-N 2 0 234.343 1.755 50 0 BDAARP Cc1cccc(NCCC2(O)CC[NH+](C)CC2)[nH+]1 ZINC000032581011 641388436 /nfs/dbraw/zinc/38/84/36/641388436.db2.gz ZMDAYQMTGJGAOS-UHFFFAOYSA-N 2 0 249.358 1.649 50 0 BDAARP Cc1ccc(C[NH2+]CCNc2cc[nH+]cc2C)o1 ZINC000952970590 644446536 /nfs/dbraw/zinc/44/65/36/644446536.db2.gz CMYWOONCHPDDCP-UHFFFAOYSA-N 2 0 245.326 1.915 50 0 BDAARP Cc1ccc[n+](C[n+]2cccc(C)c2)c1 ZINC000000324461 345427896 /nfs/dbraw/zinc/42/78/96/345427896.db2.gz LTGBTEBJHRDIIJ-UHFFFAOYSA-N 2 0 200.285 1.384 50 0 BDAARP Cc1ccccc1C[NH+]1CCN(CCC[NH3+])CC1 ZINC000019933699 179275163 /nfs/dbraw/zinc/27/51/63/179275163.db2.gz LUWVOBAZKCYNOB-UHFFFAOYSA-N 2 0 247.386 1.461 50 0 BDAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CCCSC1)C2 ZINC000426593516 191099286 /nfs/dbraw/zinc/09/92/86/191099286.db2.gz AMUCWZUYOAIVIX-WRWGMCAJSA-N 2 0 226.389 1.551 50 0 BDAARP NC(=[NH2+])NC(=[NH2+])Nc1cccc2ccccc21 ZINC000000146429 181189222 /nfs/dbraw/zinc/18/92/22/181189222.db2.gz UUBZPMKBMHXGNE-UHFFFAOYSA-N 2 0 227.271 1.670 50 0 BDAARP NC(=[NH2+])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000081947185 181187956 /nfs/dbraw/zinc/18/79/56/181187956.db2.gz MEJIWJKUZRWOQX-UHFFFAOYSA-N 2 0 232.331 1.088 50 0 BDAARP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C[N@@H+]1C ZINC000252120090 541445283 /nfs/dbraw/zinc/44/52/83/541445283.db2.gz KSFQVCUTJFMEDY-ZOBORPQBSA-N 2 0 237.391 1.295 50 0 BDAARP CCC[NH+]1CCC(N2CCC[N@H+](C)CC2)CC1 ZINC000032519437 169186626 /nfs/dbraw/zinc/18/66/26/169186626.db2.gz ONABYPVNVGKVCP-UHFFFAOYSA-N 2 0 239.407 1.498 50 0 BDAARP CCC[NH+]1CCC([NH+]2CCC(O)CC2)CC1 ZINC000000279581 169186697 /nfs/dbraw/zinc/18/66/97/169186697.db2.gz HYNPRNJYAOWMSB-UHFFFAOYSA-N 2 0 226.364 1.318 50 0 BDAARP CCC[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000000182427 169188762 /nfs/dbraw/zinc/18/87/62/169188762.db2.gz XIBIFYYATXSUCM-CYBMUJFWSA-N 2 0 226.364 1.629 50 0 BDAARP CCc1[nH+]c(N)nc(N2CCC[C@H](C[NH3+])C2)c1C ZINC000095385833 384372645 /nfs/dbraw/zinc/37/26/45/384372645.db2.gz OFKPPCAXBLRVBV-SNVBAGLBSA-N 2 0 249.362 1.105 50 0 BDAARP CC[C@@H]([NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000075772305 384335071 /nfs/dbraw/zinc/33/50/71/384335071.db2.gz GRAAOXUBCOHRGS-KGLIPLIRSA-N 2 0 234.343 1.625 50 0 BDAARP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000026472777 384876239 /nfs/dbraw/zinc/87/62/39/384876239.db2.gz XUZFLQOWHVNBQZ-ZDUSSCGKSA-N 2 0 220.316 1.236 50 0 BDAARP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000054954891 384861187 /nfs/dbraw/zinc/86/11/87/384861187.db2.gz BYNIUBOJBWXZCC-CYBMUJFWSA-N 2 0 204.317 1.857 50 0 BDAARP CCSC[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000169725136 385416978 /nfs/dbraw/zinc/41/69/78/385416978.db2.gz LYMRHSYPVDLGPY-GFCCVEGCSA-N 2 0 228.405 1.956 50 0 BDAARP c1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000089884963 388369761 /nfs/dbraw/zinc/36/97/61/388369761.db2.gz LUVTWYLMBAVPLR-ZDUSSCGKSA-N 2 0 247.342 1.240 50 0 BDAARP Cc1ccccc1N1C(=[NH2+])NC(=[NH2+])NC1(C)C ZINC000017039322 132324124 /nfs/dbraw/zinc/32/41/24/132324124.db2.gz BTFOXUFGUUCOKN-UHFFFAOYSA-N 2 0 231.303 1.181 50 0 BDAARP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252979861 135118754 /nfs/dbraw/zinc/11/87/54/135118754.db2.gz JTTOFOMDXGVESR-SRVKXCTJSA-N 2 0 228.405 1.989 50 0 BDAARP C[NH2+][C@H](CN1CCCC1)C1CC[NH+](C)CC1 ZINC000022027844 398092964 /nfs/dbraw/zinc/09/29/64/398092964.db2.gz KPNNICFJNNQFMX-CYBMUJFWSA-N 2 0 225.380 1.012 50 0 BDAARP CN1CCC[C@](O)(C[N@H+](C)Cc2ccccc2)C1 ZINC000046087335 411156845 /nfs/dbraw/zinc/15/68/45/411156845.db2.gz XJDCRAHXXSHJIO-OAHLLOKOSA-N 2 0 248.370 1.575 50 0 BDAARP CCOCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049709327 170375128 /nfs/dbraw/zinc/37/51/28/170375128.db2.gz AMSJCLFYWQBSTK-GHMZBOCLSA-N 2 0 200.326 1.082 50 0 BDAARP C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000001593277 172985368 /nfs/dbraw/zinc/98/53/68/172985368.db2.gz WHJANSWOSODZBT-UHFFFAOYSA-N 2 0 204.317 1.609 50 0 BDAARP C[N@@H+]1CCN(CCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000019273868 173078589 /nfs/dbraw/zinc/07/85/89/173078589.db2.gz FUQKHHWJDXPBSM-CQSZACIVSA-N 2 0 233.359 1.324 50 0 BDAARP C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000063166234 173338401 /nfs/dbraw/zinc/33/84/01/173338401.db2.gz IIIOFCNWSVIVGY-OAHLLOKOSA-N 2 0 248.370 1.651 50 0 BDAARP C[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000070188737 173342772 /nfs/dbraw/zinc/34/27/72/173342772.db2.gz HSIUAGQVRUHXFE-UHFFFAOYSA-N 2 0 239.407 1.402 50 0 BDAARP COCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047968121 174304768 /nfs/dbraw/zinc/30/47/68/174304768.db2.gz VBXFMFVMEWEQOB-UHFFFAOYSA-N 2 0 226.364 1.441 50 0 BDAARP CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cccn1 ZINC000670441728 487490087 /nfs/dbraw/zinc/49/00/87/487490087.db2.gz BROYKQGHAUBMDD-KGLIPLIRSA-N 2 0 248.374 1.442 50 0 BDAARP CC[N@@H+]1CC[C@@H](CN(C)Cc2cnc(C)nc2)C1 ZINC000670446530 487494617 /nfs/dbraw/zinc/49/46/17/487494617.db2.gz MYRYECGDZWHWNE-ZDUSSCGKSA-N 2 0 248.374 1.559 50 0 BDAARP Cc1c[nH]c(CN(C)C[C@H](C)n2ccnc2C)n1 ZINC000020542139 491097832 /nfs/dbraw/zinc/09/78/32/491097832.db2.gz KBTUGJKFEXYWBN-NSHDSACASA-N 2 0 247.346 1.916 50 0 BDAARP C[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1c1ccccc1 ZINC000238853799 524018624 /nfs/dbraw/zinc/01/86/24/524018624.db2.gz LEIAGDQCKRSLTQ-XQQFMLRXSA-N 2 0 202.301 1.509 50 0 BDAARP C[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)[C@H]1C ZINC000248400465 524409884 /nfs/dbraw/zinc/40/98/84/524409884.db2.gz KVNDNPJAAZSNJB-RFGFWPKPSA-N 2 0 242.407 1.713 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000757216144 582562147 /nfs/dbraw/zinc/56/21/47/582562147.db2.gz YBEQNHUUCFGELZ-MNOVXSKESA-N 2 0 244.342 1.523 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[C@H](C[NH3+])CC[NH2+]1 ZINC000757215154 586440193 /nfs/dbraw/zinc/44/01/93/586440193.db2.gz VAYZECGCXGPINQ-ZWNOBZJWSA-N 2 0 244.342 1.871 50 0 BDAARP CC(C)c1cccc([C@@H]([NH3+])C2(O)CC[NH2+]CC2)c1 ZINC000958528078 644806495 /nfs/dbraw/zinc/80/64/95/644806495.db2.gz IZTHUQCXTUHADL-CQSZACIVSA-N 2 0 248.370 1.924 50 0 BDAARP CC(C)CC[C@H](C)[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC000200486173 970114886 /nfs/dbraw/zinc/11/48/86/970114886.db2.gz ZGBWYPPIBRODSV-QWHCGFSZSA-N 2 0 228.380 1.861 50 0 BDAARP C[C@@H]([NH2+]Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000037221176 361756357 /nfs/dbraw/zinc/75/63/57/361756357.db2.gz VWQKLAYZXSJJQR-GFCCVEGCSA-N 2 0 233.359 1.902 50 0 BDAARP CCC(CC)[NH2+]CCCN1CCC[C@@H](O)C1 ZINC000065372557 168387177 /nfs/dbraw/zinc/38/71/77/168387177.db2.gz LWDXLGMZRCOHGZ-CYBMUJFWSA-N 2 0 228.380 1.611 50 0 BDAARP CC[NH+](CC)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000022222388 343044865 /nfs/dbraw/zinc/04/48/65/343044865.db2.gz YPYPDOCJJLQRSL-UHFFFAOYSA-N 2 0 249.358 1.217 50 0 BDAARP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034180705 343265975 /nfs/dbraw/zinc/26/59/75/343265975.db2.gz MVLOUNCMDFCYHO-WCQYABFASA-N 2 0 204.317 1.856 50 0 BDAARP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000038534330 343376572 /nfs/dbraw/zinc/37/65/72/343376572.db2.gz OBJSAEJPLYPHSE-UHFFFAOYSA-N 2 0 208.305 1.759 50 0 BDAARP Cc1cc(C)n2nc3nc(C)cc(C)[n+]3c2n1 ZINC000000368643 344733566 /nfs/dbraw/zinc/73/35/66/344733566.db2.gz MYVUSSJWIDTZKH-UHFFFAOYSA-N 2 0 228.279 1.097 50 0 BDAARP Cc1cccc(NC(=[NH2+])NC(N)=[NH2+])c1C ZINC000020286643 188176631 /nfs/dbraw/zinc/17/66/31/188176631.db2.gz QPUAWEXLLDSJBV-UHFFFAOYSA-N 2 0 205.265 1.133 50 0 BDAARP NC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000069709787 181189388 /nfs/dbraw/zinc/18/93/88/181189388.db2.gz FMXMXKOLBGVFPT-UHFFFAOYSA-N 2 0 238.379 1.658 50 0 BDAARP C1C[C@H](C2CC[NH+](C3CCOCC3)CC2)C[NH2+]1 ZINC000169781752 361097307 /nfs/dbraw/zinc/09/73/07/361097307.db2.gz YHZQGDRNRDVPIM-ZDUSSCGKSA-N 2 0 238.375 1.487 50 0 BDAARP Cc1c[nH+]c(C2CC2)n1C[C@@H]1CC[NH2+]C1 ZINC000169793065 361130299 /nfs/dbraw/zinc/13/02/99/361130299.db2.gz LZVQFACSPWTNKD-SNVBAGLBSA-N 2 0 205.305 1.678 50 0 BDAARP [NH3+]CCCCc1ccc2c([nH+]1)NCCC2 ZINC000002527504 181378600 /nfs/dbraw/zinc/37/86/00/181378600.db2.gz QFRQJEGTZVFEJQ-UHFFFAOYSA-N 2 0 205.305 1.721 50 0 BDAARP CCC[NH+](CCC)CCCN1CCC[NH2+]CC1 ZINC000019850278 169147797 /nfs/dbraw/zinc/14/77/97/169147797.db2.gz MIZVQJBPSCHNND-UHFFFAOYSA-N 2 0 241.423 1.794 50 0 BDAARP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000000182430 169188632 /nfs/dbraw/zinc/18/86/32/169188632.db2.gz XIBIFYYATXSUCM-ZDUSSCGKSA-N 2 0 226.364 1.629 50 0 BDAARP CCN(CC[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000067459677 169839695 /nfs/dbraw/zinc/83/96/95/169839695.db2.gz KPCMFOLPJWNMAR-ZDUSSCGKSA-N 2 0 225.380 1.156 50 0 BDAARP C(C[NH+]1CCCCC1)OC1CC[NH2+]CC1 ZINC000036963146 383925059 /nfs/dbraw/zinc/92/50/59/383925059.db2.gz NYGBPVDKVYYBRE-UHFFFAOYSA-N 2 0 212.337 1.241 50 0 BDAARP CN1CCC([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000069729517 384061874 /nfs/dbraw/zinc/06/18/74/384061874.db2.gz QWBGPJUTFIXFPE-UHFFFAOYSA-N 2 0 225.380 1.141 50 0 BDAARP CC[C@H]([NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000075772307 384336610 /nfs/dbraw/zinc/33/66/10/384336610.db2.gz GRAAOXUBCOHRGS-UONOGXRCSA-N 2 0 234.343 1.625 50 0 BDAARP N[C@@H](c1ccc(O)cc1)[C@@H]([NH3+])c1ccc(O)cc1 ZINC000095532360 384379462 /nfs/dbraw/zinc/37/94/62/384379462.db2.gz FQRUNJQARWTBBE-KBPBESRZSA-N 2 0 244.294 1.798 50 0 BDAARP c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000021982213 384712138 /nfs/dbraw/zinc/71/21/38/384712138.db2.gz AOBSJQWEYXEPBK-CHWSQXEVSA-N 2 0 202.301 1.338 50 0 BDAARP Cc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)[nH]n1 ZINC000065464242 385315510 /nfs/dbraw/zinc/31/55/10/385315510.db2.gz QFUPWYQENRANJX-UHFFFAOYSA-N 2 0 248.374 1.636 50 0 BDAARP CCSC[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000169725135 385417519 /nfs/dbraw/zinc/41/75/19/385417519.db2.gz LYMRHSYPVDLGPY-LBPRGKRZSA-N 2 0 228.405 1.956 50 0 BDAARP C[NH+](C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000052046941 387423157 /nfs/dbraw/zinc/42/31/57/387423157.db2.gz FRVDTNLHVUBEEO-UHFFFAOYSA-N 2 0 220.320 1.575 50 0 BDAARP CC[NH+](CC)[C@H](CNC(N)=[NH2+])Cc1ccccc1 ZINC000069774994 388426367 /nfs/dbraw/zinc/42/63/67/388426367.db2.gz OYPXGWZRVUSCCH-ZDUSSCGKSA-N 2 0 248.374 1.423 50 0 BDAARP CC(C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000032919551 322899698 /nfs/dbraw/zinc/89/96/98/322899698.db2.gz ICFUXMCOIBZWKU-UHFFFAOYSA-N 2 0 200.326 1.225 50 0 BDAARP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCCC1(C)C ZINC000090778312 172498501 /nfs/dbraw/zinc/49/85/01/172498501.db2.gz JXTGBXPGZWPMGC-WCQYABFASA-N 2 0 228.380 1.467 50 0 BDAARP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCSC1 ZINC000023279923 173028474 /nfs/dbraw/zinc/02/84/74/173028474.db2.gz DRHJDVZKNVDIRZ-GHMZBOCLSA-N 2 0 214.378 1.566 50 0 BDAARP C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000012370455 173389135 /nfs/dbraw/zinc/38/91/35/173389135.db2.gz QNDNYVSDXRFJJW-UHFFFAOYSA-N 2 0 208.305 1.346 50 0 BDAARP COCC[NH2+][C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000096669769 174340282 /nfs/dbraw/zinc/34/02/82/174340282.db2.gz QJJQGUVAFHVGCW-ZDUSSCGKSA-N 2 0 226.364 1.487 50 0 BDAARP C[C@H]1C[NH+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000021948839 177247128 /nfs/dbraw/zinc/24/71/28/177247128.db2.gz SXCAMRDUPBADFT-QWRGUYRKSA-N 2 0 212.337 1.095 50 0 BDAARP C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000237582858 487486715 /nfs/dbraw/zinc/48/67/15/487486715.db2.gz UUWIBNAAKXLHST-WDEREUQCSA-N 2 0 241.379 1.055 50 0 BDAARP C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1c1ccccc1 ZINC000238853798 524018395 /nfs/dbraw/zinc/01/83/95/524018395.db2.gz LEIAGDQCKRSLTQ-RWMBFGLXSA-N 2 0 202.301 1.509 50 0 BDAARP CC[N@@H+]1CCC[C@H]1CNc1cc(C[NH3+])nc(C)n1 ZINC000067739807 636781443 /nfs/dbraw/zinc/78/14/43/636781443.db2.gz WVKUJRGFMPCNHO-LBPRGKRZSA-N 2 0 249.362 1.140 50 0 BDAARP Cc1cc(N(C)CCCN2CCOCC2)cc[nH+]1 ZINC000825281187 968638991 /nfs/dbraw/zinc/63/89/91/968638991.db2.gz BTOWWVYZTMWAMF-UHFFFAOYSA-N 2 0 249.358 1.549 50 0 BDAARP CCC(CC)[NH2+]CCCN1CCC[C@H](O)C1 ZINC000065372556 168386955 /nfs/dbraw/zinc/38/69/55/168386955.db2.gz LWDXLGMZRCOHGZ-ZDUSSCGKSA-N 2 0 228.380 1.611 50 0 BDAARP CCN1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000023352026 343063631 /nfs/dbraw/zinc/06/36/31/343063631.db2.gz LAXHKLZXVYCQDQ-LSDHHAIUSA-N 2 0 248.370 1.794 50 0 BDAARP CN1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000038095340 344700255 /nfs/dbraw/zinc/70/02/55/344700255.db2.gz KSMXJGHMWLVYNU-GFCCVEGCSA-N 2 0 212.337 1.239 50 0 BDAARP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000220665491 491110103 /nfs/dbraw/zinc/11/01/03/491110103.db2.gz JTTOFOMDXGVESR-QJPTWQEYSA-N 2 0 228.405 1.989 50 0 BDAARP C[n+]1ccc(CCc2cc[n+](C)cc2)cc1 ZINC000000163125 383838323 /nfs/dbraw/zinc/83/83/23/383838323.db2.gz RLURTWVANRWRLM-UHFFFAOYSA-N 2 0 214.312 1.121 50 0 BDAARP [NH3+]C[C@H](C[NH+]1CCCC1)[C@H](O)c1ccccc1 ZINC000020283108 384609649 /nfs/dbraw/zinc/60/96/49/384609649.db2.gz UZWVWBHOYQMCCA-ZIAGYGMSSA-N 2 0 234.343 1.391 50 0 BDAARP C[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH+](C)C)cc1)C(N)=O ZINC000032582034 385172804 /nfs/dbraw/zinc/17/28/04/385172804.db2.gz ZAFXEKGQBAXSGJ-GHMZBOCLSA-N 2 0 249.358 1.273 50 0 BDAARP c1ccc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000034453817 385282111 /nfs/dbraw/zinc/28/21/11/385282111.db2.gz HSZHVFDKBROTBA-QWHCGFSZSA-N 2 0 202.301 1.480 50 0 BDAARP COCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000089410232 387378912 /nfs/dbraw/zinc/37/89/12/387378912.db2.gz OIOFQJSXEQQZER-UHFFFAOYSA-N 2 0 249.358 1.630 50 0 BDAARP CCOCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049709325 170375017 /nfs/dbraw/zinc/37/50/17/170375017.db2.gz AMSJCLFYWQBSTK-MNOVXSKESA-N 2 0 200.326 1.082 50 0 BDAARP C[N@@H+]1CCCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000020217521 173016229 /nfs/dbraw/zinc/01/62/29/173016229.db2.gz AQLZGQUKWNQYPH-UHFFFAOYSA-N 2 0 233.359 1.283 50 0 in-vitro BDAARP COc1ccc([C@H]2[C@@H](C[NH3+])CC[N@@H+]2C)cc1 ZINC000068592480 175199233 /nfs/dbraw/zinc/19/92/33/175199233.db2.gz LDYZMXLDCPUKFZ-YPMHNXCESA-N 2 0 220.316 1.647 50 0 BDAARP C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccccc1 ZINC000068593142 176208448 /nfs/dbraw/zinc/20/84/48/176208448.db2.gz JKSBJAIJUUQUJS-DGCLKSJQSA-N 2 0 204.317 1.998 50 0 BDAARP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000078416704 177266457 /nfs/dbraw/zinc/26/64/57/177266457.db2.gz MGTFEKWKCLDVNN-WCQYABFASA-N 2 0 204.317 1.856 50 0 BDAARP C[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C[C@@H]1C ZINC000097146741 177332004 /nfs/dbraw/zinc/33/20/04/177332004.db2.gz AOCAKCXXIXRELJ-RFGFWPKPSA-N 2 0 242.407 1.713 50 0 BDAARP CC[N@@H+]1CC[C@H](CN(C)Cc2cnc(C)nc2)C1 ZINC000670446529 487495610 /nfs/dbraw/zinc/49/56/10/487495610.db2.gz MYRYECGDZWHWNE-CYBMUJFWSA-N 2 0 248.374 1.559 50 0 BDAARP C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@@H+]1C ZINC000237638623 487497326 /nfs/dbraw/zinc/49/73/26/487497326.db2.gz UUWIBNAAKXLHST-QWRGUYRKSA-N 2 0 241.379 1.055 50 0 BDAARP C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC000670461194 487513812 /nfs/dbraw/zinc/51/38/12/487513812.db2.gz UMPKTYVXDGFHAW-KGLIPLIRSA-N 2 0 231.343 1.750 50 0 BDAARP Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc(N)[nH+]1 ZINC000252463394 525082868 /nfs/dbraw/zinc/08/28/68/525082868.db2.gz IMFZTUKLBVNKOJ-NSHDSACASA-N 2 0 247.346 1.042 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H]([NH3+])CN1 ZINC000757207370 586437309 /nfs/dbraw/zinc/43/73/09/586437309.db2.gz AGXTVAYSGVYUNB-JQWIXIFHSA-N 2 0 230.315 1.623 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]C[C@@H]([NH3+])C1 ZINC000757212166 586439126 /nfs/dbraw/zinc/43/91/26/586439126.db2.gz MFRPPDOBECEYQN-KOLCDFICSA-N 2 0 230.315 1.276 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CCC[C@@H]1C[NH3+] ZINC000757213232 586439159 /nfs/dbraw/zinc/43/91/59/586439159.db2.gz PFBKXYHDNJXBJG-QMTHXVAHSA-N 2 0 244.342 1.871 50 0 BDAARP CCCCNC(=[NH2+])NC(=[NH2+])Nc1ccccc1 ZINC000022203597 643537211 /nfs/dbraw/zinc/53/72/11/643537211.db2.gz NZTHUSYYYNKQQI-UHFFFAOYSA-N 2 0 233.319 1.947 50 0 BDAARP [NH3+][C@H](C1CCCCC1)C1(O)CC[NH2+]CC1 ZINC000958527895 644805925 /nfs/dbraw/zinc/80/59/25/644805925.db2.gz HXODNHKBYNLREV-LLVKDONJSA-N 2 0 212.337 1.009 50 0 BDAARP [NH3+][C@@H](C1CCCCC1)C1(O)CC[NH2+]CC1 ZINC000958527897 644806704 /nfs/dbraw/zinc/80/67/04/644806704.db2.gz HXODNHKBYNLREV-NSHDSACASA-N 2 0 212.337 1.009 50 0 BDAARP c1cn(CCCN2CCC[N@@H+]3CCC[C@H]3C2)cn1 ZINC001506404009 988772406 /nfs/dbraw/zinc/77/24/06/988772406.db2.gz DUERNDXUBGLIQU-AWEZNQCLSA-N 2 0 248.374 1.443 50 0 BDAARP Cc1cc(N2CCC[N@@H+](C3CC3)CC2)nc(N)[nH+]1 ZINC000057857722 178114173 /nfs/dbraw/zinc/11/41/73/178114173.db2.gz DMNXIJRAMQTNSO-UHFFFAOYSA-N 2 0 247.346 1.042 50 0 BDAARP CC[NH+]1CCC(NCC(C)(C)C[NH+](C)C)CC1 ZINC000003683464 342736570 /nfs/dbraw/zinc/73/65/70/342736570.db2.gz JVOFYYDGNAVMGU-UHFFFAOYSA-N 2 0 241.423 1.648 50 0 BDAARP C[N@@H+]1CCC[C@@H](CCNc2ccncc2F)C1 ZINC000584903785 342736716 /nfs/dbraw/zinc/73/67/16/342736716.db2.gz PGYRDOPXIPCBDY-NSHDSACASA-N 2 0 237.322 1.786 50 0 BDAARP CN(C[C@@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000022212993 343044418 /nfs/dbraw/zinc/04/44/18/343044418.db2.gz SSBICFQKMDXFBD-OAHLLOKOSA-N 2 0 247.386 1.712 50 0 BDAARP CC(C)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000071764597 343353147 /nfs/dbraw/zinc/35/31/47/343353147.db2.gz BJCUQARVSLNCJT-ZDUSSCGKSA-N 2 0 210.365 1.964 50 0 BDAARP C(OC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000072233181 344518706 /nfs/dbraw/zinc/51/87/06/344518706.db2.gz YROWJYRDJMZVJW-VXGBXAGGSA-N 2 0 212.337 1.002 50 0 BDAARP Cc1cccc[n+]1CC[n+]1ccccc1C ZINC000000392388 179233884 /nfs/dbraw/zinc/23/38/84/179233884.db2.gz JAEHESUAUUCXGT-UHFFFAOYSA-N 2 0 214.312 1.579 50 0 BDAARP CSc1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000095918032 188365288 /nfs/dbraw/zinc/36/52/88/188365288.db2.gz LBANSXIGKWQVAI-UHFFFAOYSA-N 2 0 223.305 1.238 50 0 BDAARP NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033994464 181189302 /nfs/dbraw/zinc/18/93/02/181189302.db2.gz MSZVBZJWLZLDBM-UHFFFAOYSA-N 2 0 232.331 1.134 50 0 BDAARP NC(=[NH2+])c1ccc(C[NH+]2CCCC2)cc1 ZINC000019514793 181194161 /nfs/dbraw/zinc/19/41/61/181194161.db2.gz ZFZOFEXMXKQKCW-UHFFFAOYSA-N 2 0 203.289 1.566 50 0 BDAARP [NH3+]CC1(CO)CC[NH+](Cc2ccccc2)CC1 ZINC000072233407 181359437 /nfs/dbraw/zinc/35/94/37/181359437.db2.gz HYQLLESNZAWFCJ-UHFFFAOYSA-N 2 0 234.343 1.220 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011889000 181365401 /nfs/dbraw/zinc/36/54/01/181365401.db2.gz XLZQDRZYOJNNLZ-UHFFFAOYSA-N 2 0 222.307 1.996 50 0 BDAARP [NH3+]CCCN1CCO[C@H](c2ccccc2)C1 ZINC000034936161 181380815 /nfs/dbraw/zinc/38/08/15/181380815.db2.gz XBVJKHBMRMYZDU-ZDUSSCGKSA-N 2 0 220.316 1.409 50 0 BDAARP CCC[NH+]1CCC(N(C)CC[NH+](C)C)CC1 ZINC000019635852 169187416 /nfs/dbraw/zinc/18/74/16/169187416.db2.gz HVZGGIOKVNVIEZ-UHFFFAOYSA-N 2 0 227.396 1.354 50 0 BDAARP C[NH+](C)CCCn1c(N)[nH+]c2ccccc21 ZINC000000233305 383846073 /nfs/dbraw/zinc/84/60/73/383846073.db2.gz XFQGUCOQJCAODM-UHFFFAOYSA-N 2 0 218.304 1.570 50 0 BDAARP c1coc(CCC[NH2+]C2CC[NH2+]CC2)c1 ZINC000067805917 383949250 /nfs/dbraw/zinc/94/92/50/383949250.db2.gz PBPOXBVIHWOHCO-UHFFFAOYSA-N 2 0 208.305 1.554 50 0 BDAARP c1ccc(C[n+]2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000002166186 383953015 /nfs/dbraw/zinc/95/30/15/383953015.db2.gz CGYAJLZTEBKJHH-UHFFFAOYSA-N 2 0 238.314 1.372 50 0 BDAARP C[NH2+][C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815241 384304257 /nfs/dbraw/zinc/30/42/57/384304257.db2.gz SQXROZHTTFVFOL-ZIAGYGMSSA-N 2 0 239.407 1.543 50 0 BDAARP [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237950886 384446005 /nfs/dbraw/zinc/44/60/05/384446005.db2.gz FVJRGVZTHWKIQJ-QWHCGFSZSA-N 2 0 247.342 1.026 50 0 BDAARP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000097757582 384554976 /nfs/dbraw/zinc/55/49/76/384554976.db2.gz AZKBNPLDOBTBBR-HZSPNIEDSA-N 2 0 216.328 1.856 50 0 BDAARP CCC(CC)[C@H](CNC(N)=[NH2+])[NH+]1CCCC1 ZINC000069848670 384646599 /nfs/dbraw/zinc/64/65/99/384646599.db2.gz RDHUQDNTCQCVKP-NSHDSACASA-N 2 0 226.368 1.370 50 0 BDAARP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252979860 135118670 /nfs/dbraw/zinc/11/86/70/135118670.db2.gz JTTOFOMDXGVESR-SDDRHHMPSA-N 2 0 228.405 1.989 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000022462475 397974612 /nfs/dbraw/zinc/97/46/12/397974612.db2.gz QRCCCCZXXGZOGG-HNNXBMFYSA-N 2 0 245.370 1.166 50 0 BDAARP CCc1c(C[NH3+])c(CC)c(C[NH3+])c(CC)c1C[NH3+] ZINC000004202545 171742354 /nfs/dbraw/zinc/74/23/54/171742354.db2.gz DBOPPHIBSRVLLK-UHFFFAOYSA-N 3 0 249.402 1.750 50 0 BDAARP C[NH+]1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000037496722 173081768 /nfs/dbraw/zinc/08/17/68/173081768.db2.gz NBVVILRVJHCIMO-UHFFFAOYSA-N 2 0 233.359 1.024 50 0 BDAARP C[N@@H+]1CCc2c(C[NH3+])c(-n3cccc3)sc2C1 ZINC000045795979 173170511 /nfs/dbraw/zinc/17/05/11/173170511.db2.gz HTYFCMXQVHOZMO-UHFFFAOYSA-N 2 0 247.367 1.985 50 0 BDAARP C[NH2+]CC1CC[NH+](Cc2cccnc2C)CC1 ZINC000261551900 173338279 /nfs/dbraw/zinc/33/82/79/173338279.db2.gz MNFWUBWYJDCJPG-UHFFFAOYSA-N 2 0 233.359 1.821 50 0 BDAARP C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC000012370851 173338836 /nfs/dbraw/zinc/33/88/36/173338836.db2.gz NGMNACILLKNUTM-UHFFFAOYSA-N 2 0 219.332 1.513 50 0 BDAARP COCC[N@H+](C)CCOc1cccc(C[NH3+])c1 ZINC000042458450 174279626 /nfs/dbraw/zinc/27/96/26/174279626.db2.gz IAKJCITZTMGIJX-UHFFFAOYSA-N 2 0 238.331 1.102 50 0 BDAARP COC[C@@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000065409249 174456856 /nfs/dbraw/zinc/45/68/56/174456856.db2.gz JCQZMBCLNHAARG-LLVKDONJSA-N 2 0 223.320 1.426 50 0 BDAARP COc1ccc(CCN2CCC[NH2+]CC2)cc1 ZINC000036946413 175090769 /nfs/dbraw/zinc/09/07/69/175090769.db2.gz GPNVJKHGKNHSQU-UHFFFAOYSA-N 2 0 234.343 1.533 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC000534581340 323153954 /nfs/dbraw/zinc/15/39/54/323153954.db2.gz CUCWCLSHJDOUHO-UHFFFAOYSA-N 2 0 244.342 1.734 50 0 BDAARP C[C@]1(O)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103383 491125084 /nfs/dbraw/zinc/12/50/84/491125084.db2.gz FSAPCSSFMAFRRS-AWEZNQCLSA-N 2 0 240.391 1.709 50 0 BDAARP C(CSC1=[NH+]CCN1)[NH2+]C1CCCCCC1 ZINC000757120626 582496512 /nfs/dbraw/zinc/49/65/12/582496512.db2.gz BUEBVWNLJOKAGJ-UHFFFAOYSA-N 2 0 241.404 1.991 50 0 BDAARP C[C@@H]1CCC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)[C@H]1C ZINC000248400466 524410329 /nfs/dbraw/zinc/41/03/29/524410329.db2.gz KVNDNPJAAZSNJB-ZOBORPQBSA-N 2 0 242.407 1.713 50 0 BDAARP C[NH+](C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC000077019672 536035885 /nfs/dbraw/zinc/03/58/85/536035885.db2.gz RDBLNZMGFQXARO-UHFFFAOYSA-N 2 0 219.332 1.158 50 0 BDAARP C[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000217647692 536345444 /nfs/dbraw/zinc/34/54/44/536345444.db2.gz KIFNVBDWODOUAK-KBPBESRZSA-N 2 0 237.391 1.297 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C[NH3+])CC[NH2+]1 ZINC000757213039 586439216 /nfs/dbraw/zinc/43/92/16/586439216.db2.gz NISONDBJJCLGMX-YGRLFVJLSA-N 2 0 244.342 1.871 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CCC[C@H]1C[NH3+] ZINC000757213231 586439605 /nfs/dbraw/zinc/43/96/05/586439605.db2.gz PFBKXYHDNJXBJG-IINYFYTJSA-N 2 0 244.342 1.871 50 0 BDAARP C[NH2+]CC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000231427032 641174180 /nfs/dbraw/zinc/17/41/80/641174180.db2.gz CLLDWNKENRHIJA-UHFFFAOYSA-N 2 0 237.322 1.652 50 0 BDAARP CC1CCC([C@H]([NH3+])C2(O)CC[NH2+]CC2)CC1 ZINC000958528622 644807626 /nfs/dbraw/zinc/80/76/26/644807626.db2.gz XDZIOXRSVXHMND-MCIGGMRASA-N 2 0 226.364 1.255 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1C[C@@H]([NH3+])CC[NH2+]1 ZINC000757213948 712583132 /nfs/dbraw/zinc/58/31/32/712583132.db2.gz SCBPHCALGLUTMS-GXFFZTMASA-N 2 0 230.315 1.623 50 0 BDAARP CC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000585092854 972131973 /nfs/dbraw/zinc/13/19/73/972131973.db2.gz QNCFKMNHLYQWOM-CQSZACIVSA-N 2 0 249.358 1.860 50 0 BDAARP CC(C)CC[C@@H](C)[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC000200486136 970114983 /nfs/dbraw/zinc/11/49/83/970114983.db2.gz ZGBWYPPIBRODSV-CHWSQXEVSA-N 2 0 228.380 1.861 50 0 BDAARP COCCN1CC[C@@H](C[N@H+](C)C2CCCC2)C1 ZINC000952868506 974049193 /nfs/dbraw/zinc/04/91/93/974049193.db2.gz ABOFWOMNBJYQGX-ZDUSSCGKSA-N 2 0 240.391 1.829 50 0 BDAARP [NH3+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000014007983 342875616 /nfs/dbraw/zinc/87/56/16/342875616.db2.gz AZKBNPLDOBTBBR-MJBXVCDLSA-N 2 0 216.328 1.856 50 0 BDAARP C[NH+](C)Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000014628593 342882870 /nfs/dbraw/zinc/88/28/70/342882870.db2.gz QXYPWVQHTNTJKF-UHFFFAOYSA-N 2 0 234.343 1.879 50 0 BDAARP Cc1cc(Cl)ccc1NC(=[NH2+])NC(N)=[NH2+] ZINC000020458497 347451451 /nfs/dbraw/zinc/45/14/51/347451451.db2.gz CANIXRWFFXPTIO-UHFFFAOYSA-N 2 0 225.683 1.478 50 0 BDAARP CC(C)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000089840174 362948631 /nfs/dbraw/zinc/94/86/31/362948631.db2.gz GZIJGUCLDLGXQV-UHFFFAOYSA-N 2 0 240.391 1.875 50 0 BDAARP COc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434657 188278676 /nfs/dbraw/zinc/27/86/76/188278676.db2.gz YUIJCLLUJJFFNJ-UHFFFAOYSA-N 2 0 234.343 1.784 50 0 BDAARP NC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106531532 181189102 /nfs/dbraw/zinc/18/91/02/181189102.db2.gz TZZNVHODCXROLL-ZDUSSCGKSA-N 2 0 246.358 1.382 50 0 BDAARP NC(=[NH2+])Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000071261338 181191366 /nfs/dbraw/zinc/19/13/66/181191366.db2.gz JCFGQDBKZLQLOZ-UHFFFAOYSA-N 2 0 248.330 1.467 50 0 BDAARP [NH3+]C[C@]12C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000034724679 491107700 /nfs/dbraw/zinc/10/77/00/491107700.db2.gz JUOOTPCVPUXCDN-STQMWFEESA-N 2 0 202.301 1.467 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000223551868 181365170 /nfs/dbraw/zinc/36/51/70/181365170.db2.gz QAKWJQLTXFRNIM-UHFFFAOYSA-N 2 0 238.306 1.702 50 0 BDAARP Cc1ccc(Cl)cc1NC(=[NH2+])NC(N)=[NH2+] ZINC000000477754 383872124 /nfs/dbraw/zinc/87/21/24/383872124.db2.gz SJPLIZPAHCNLFD-UHFFFAOYSA-N 2 0 225.683 1.478 50 0 BDAARP CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000067805961 383948590 /nfs/dbraw/zinc/94/85/90/383948590.db2.gz DAKLEDMVKDJWOA-CQSZACIVSA-N 2 0 239.407 1.546 50 0 BDAARP CN(CC[NH3+])Cc1ccccc1C[NH+]1CCCC1 ZINC000067908832 383960077 /nfs/dbraw/zinc/96/00/77/383960077.db2.gz MADYODANUZTIEY-UHFFFAOYSA-N 2 0 247.386 1.673 50 0 BDAARP COCCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524728980 384028167 /nfs/dbraw/zinc/02/81/67/384028167.db2.gz QLNBCBNCHNBBKX-UONOGXRCSA-N 2 0 240.391 1.877 50 0 BDAARP c1ccc2c(c1)C[NH2+]CC21CC[NH2+]CC1 ZINC000095670337 384388167 /nfs/dbraw/zinc/38/81/67/384388167.db2.gz GLYOQKLJYDJKSY-UHFFFAOYSA-N 2 0 202.301 1.411 50 0 BDAARP C([C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000108523332 384717881 /nfs/dbraw/zinc/71/78/81/384717881.db2.gz QROOVRUKCMDFKC-ZIAGYGMSSA-N 2 0 237.391 1.156 50 0 BDAARP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034116357 385272688 /nfs/dbraw/zinc/27/26/88/385272688.db2.gz MVLOUNCMDFCYHO-DGCLKSJQSA-N 2 0 204.317 1.856 50 0 BDAARP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000034255582 385276860 /nfs/dbraw/zinc/27/68/60/385276860.db2.gz HHSQLKWLJFVEAT-CYBMUJFWSA-N 2 0 204.317 1.857 50 0 BDAARP C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000065369788 385300298 /nfs/dbraw/zinc/30/02/98/385300298.db2.gz OVRKLHUOGLNLQV-VNKGSWCUSA-N 2 0 220.316 1.964 50 0 BDAARP C1CC2(C[N@@H+]1[C@H]1CCCSC1)CC[NH2+]CC2 ZINC000257709137 386733846 /nfs/dbraw/zinc/73/38/46/386733846.db2.gz NGEQLOGMMBGBAV-LBPRGKRZSA-N 2 0 240.416 1.958 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000022462481 397974530 /nfs/dbraw/zinc/97/45/30/397974530.db2.gz QRCCCCZXXGZOGG-OAHLLOKOSA-N 2 0 245.370 1.166 50 0 BDAARP CC[C@H](C)[NH2+]CCCN1CCC(O)CC1 ZINC000065418624 171340621 /nfs/dbraw/zinc/34/06/21/171340621.db2.gz VDRLYNGBKWNRHP-NSHDSACASA-N 2 0 214.353 1.221 50 0 BDAARP C[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000095643079 173088421 /nfs/dbraw/zinc/08/84/21/173088421.db2.gz JRYCDLRMCRIXHZ-UHFFFAOYSA-N 2 0 231.343 1.037 50 0 BDAARP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000019796081 173092789 /nfs/dbraw/zinc/09/27/89/173092789.db2.gz SGZLJAMRWOGKGC-ZDUSSCGKSA-N 2 0 237.322 1.073 50 0 BDAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+](C)C ZINC000020477182 177368774 /nfs/dbraw/zinc/36/87/74/177368774.db2.gz ZFMHJCHHDNGZAM-AGIUHOORSA-N 2 0 227.396 1.256 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]C[C@@H]([NH3+])C1 ZINC000757212169 586438795 /nfs/dbraw/zinc/43/87/95/586438795.db2.gz MFRPPDOBECEYQN-ONGXEEELSA-N 2 0 230.315 1.276 50 0 BDAARP C1C[C@H]2[C@H]3C[NH2+]C[C@H]3[C@@H]1[N@H+]2[C@@H]1CCCSC1 ZINC000426486522 635726130 /nfs/dbraw/zinc/72/61/30/635726130.db2.gz VZDHRWSHNQXWAD-LBELIVKGSA-N 2 0 238.400 1.564 50 0 BDAARP [NH3+][C@H](c1ccccc1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527524 644806673 /nfs/dbraw/zinc/80/66/73/644806673.db2.gz BQJPDRWPMQDARL-RBKKPWLPSA-N 2 0 232.327 1.332 50 0 BDAARP CC[NH+]1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000021952122 343029889 /nfs/dbraw/zinc/02/98/89/343029889.db2.gz QHKAVVIOVVXKHH-UHFFFAOYSA-N 2 0 233.359 1.283 50 0 BDAARP Cc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000038041468 179280694 /nfs/dbraw/zinc/28/06/94/179280694.db2.gz WSXXVLZXEFVOKL-UHFFFAOYSA-N 2 0 204.317 1.837 50 0 BDAARP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000012357867 180338021 /nfs/dbraw/zinc/33/80/21/180338021.db2.gz ARAUOPYWNGVLJW-LBPRGKRZSA-N 2 0 236.363 1.208 50 0 BDAARP C(C1CCC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072131866 188307303 /nfs/dbraw/zinc/30/73/03/188307303.db2.gz RJXJTEJXCKHOPE-ZDUSSCGKSA-N 2 0 208.349 1.862 50 0 BDAARP NC(=[NH2+])c1ccc(C[NH+]2CCCCC2)cc1 ZINC000019477813 181194334 /nfs/dbraw/zinc/19/43/34/181194334.db2.gz KQONDBOYNRLLPR-UHFFFAOYSA-N 2 0 217.316 1.957 50 0 BDAARP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)C[N@@H+]1C ZINC000095420365 538603708 /nfs/dbraw/zinc/60/37/08/538603708.db2.gz KSFQVCUTJFMEDY-XJFOESAGSA-N 2 0 237.391 1.295 50 0 BDAARP CC[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000000220858 356951926 /nfs/dbraw/zinc/95/19/26/356951926.db2.gz OODWBMKCUZHHRT-GFCCVEGCSA-N 2 0 212.337 1.239 50 0 BDAARP C[NH+](C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000169790683 361123252 /nfs/dbraw/zinc/12/32/52/361123252.db2.gz RHXNZHAXWUNHDH-ZIAGYGMSSA-N 2 0 233.359 1.007 50 0 BDAARP CC[NH+](CC)CCNC(=[NH2+])NCc1ccccc1 ZINC000065475363 361576464 /nfs/dbraw/zinc/57/64/64/361576464.db2.gz RQZJKWDYAHWGFR-UHFFFAOYSA-N 2 0 248.374 1.642 50 0 BDAARP [NH3+]CC1(N2CCOCC2)CCCCCC1 ZINC000023094276 181360864 /nfs/dbraw/zinc/36/08/64/181360864.db2.gz ZPRFTDXBLRVQJG-UHFFFAOYSA-N 2 0 212.337 1.370 50 0 BDAARP [NH3+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000044514510 181365010 /nfs/dbraw/zinc/36/50/10/181365010.db2.gz BTHSEKNBSJQULS-AWEZNQCLSA-N 2 0 234.343 1.391 50 0 BDAARP C[NH+](C)C[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000012955313 384343157 /nfs/dbraw/zinc/34/31/57/384343157.db2.gz BACUERBVBVPLKR-GFCCVEGCSA-N 2 0 225.380 1.012 50 0 BDAARP CCOc1cccc(C[NH2+]CCC[NH2+]C)c1 ZINC000057364360 384943951 /nfs/dbraw/zinc/94/39/51/384943951.db2.gz NUFJGVKYEWRJRI-UHFFFAOYSA-N 2 0 222.332 1.784 50 0 BDAARP c1cc(N2CCC([NH2+]C3CC3)CC2)cc[nH+]1 ZINC000034978930 132337288 /nfs/dbraw/zinc/33/72/88/132337288.db2.gz VUPCEVNNVGQDTL-UHFFFAOYSA-N 2 0 217.316 1.802 50 0 BDAARP CC(C)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000071764596 166966214 /nfs/dbraw/zinc/96/62/14/166966214.db2.gz BJCUQARVSLNCJT-CYBMUJFWSA-N 2 0 210.365 1.964 50 0 BDAARP C[NH+]1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000019505990 173077535 /nfs/dbraw/zinc/07/75/35/173077535.db2.gz JJMGKSYAXUJMID-UHFFFAOYSA-N 2 0 225.380 1.286 50 0 BDAARP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000011888389 175100207 /nfs/dbraw/zinc/10/02/07/175100207.db2.gz SBHNECOLJHKHAR-CYBMUJFWSA-N 2 0 234.343 1.866 50 0 BDAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccn1 ZINC000036907785 176278128 /nfs/dbraw/zinc/27/81/28/176278128.db2.gz LXSCDXAHRNDHAW-NFAWXSAZSA-N 2 0 247.386 1.942 50 0 BDAARP C/C=C(\C)C[NH2+]C[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000952869083 974049326 /nfs/dbraw/zinc/04/93/26/974049326.db2.gz WEJFRNWWPOAUOE-HIICFIELSA-N 2 0 240.391 1.901 50 0 BDAARP C[N@H+](CCCn1cccn1)CCn1ccnc1 ZINC001506398856 988772143 /nfs/dbraw/zinc/77/21/43/988772143.db2.gz VIBPWYXLNKXDQZ-UHFFFAOYSA-N 2 0 233.319 1.102 50 0 BDAARP Cc1cc(N(C)C)cc([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000072343654 178095785 /nfs/dbraw/zinc/09/57/85/178095785.db2.gz XCXMCUQQPBDZLV-LLVKDONJSA-N 2 0 219.332 1.923 50 0 BDAARP CC[n+]1ccc(-c2cc[n+](CC)cc2)cc1 ZINC000000156079 342677820 /nfs/dbraw/zinc/67/78/20/342677820.db2.gz QTQLUUDYDWDXNA-UHFFFAOYSA-N 2 0 214.312 1.968 50 0 BDAARP CC[NH+]1CCN(C[C@H]2CCCCC[NH2+]2)CC1 ZINC000034792351 343278525 /nfs/dbraw/zinc/27/85/25/343278525.db2.gz WOKYNTLBARCHPE-CYBMUJFWSA-N 2 0 225.380 1.156 50 0 BDAARP C[N@H+](CCC[NH3+])CCCNC(=O)OC(C)(C)C ZINC000039365257 343388975 /nfs/dbraw/zinc/38/89/75/343388975.db2.gz FXXUDMOOSAJDHQ-UHFFFAOYSA-N 2 0 245.367 1.182 50 0 BDAARP CC[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000000220867 344647077 /nfs/dbraw/zinc/64/70/77/344647077.db2.gz OODWBMKCUZHHRT-LBPRGKRZSA-N 2 0 212.337 1.239 50 0 BDAARP Cc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC000011729461 179272085 /nfs/dbraw/zinc/27/20/85/179272085.db2.gz WFONBGLNOUINIL-UHFFFAOYSA-N 2 0 204.317 1.918 50 0 BDAARP C[NH+](C)C[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000601014762 350330100 /nfs/dbraw/zinc/33/01/00/350330100.db2.gz BUUNJRAKOZFHMS-CHWSQXEVSA-N 2 0 204.317 1.551 50 0 BDAARP CC(C)=CC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000095360758 188364036 /nfs/dbraw/zinc/36/40/36/188364036.db2.gz ZAFCJRTYHCOBBP-UHFFFAOYSA-N 2 0 226.364 1.247 50 0 BDAARP [NH3+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000011889036 181365055 /nfs/dbraw/zinc/36/50/55/181365055.db2.gz NPGJAUWAEIPXCP-UHFFFAOYSA-N 2 0 218.344 1.900 50 0 BDAARP CN(C[C@@H]1CCCO1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000250448907 369527011 /nfs/dbraw/zinc/52/70/11/369527011.db2.gz VEMLLQAIJFCAAS-SRVKXCTJSA-N 2 0 212.337 1.367 50 0 BDAARP CCC[NH+]1CCC(NCC[NH+](C)C)CC1 ZINC000019637324 169188290 /nfs/dbraw/zinc/18/82/90/169188290.db2.gz VFUNPRGSCWGAJX-UHFFFAOYSA-N 2 0 213.369 1.012 50 0 BDAARP C[NH2+][C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815239 384304274 /nfs/dbraw/zinc/30/42/74/384304274.db2.gz SQXROZHTTFVFOL-KGLIPLIRSA-N 2 0 239.407 1.543 50 0 BDAARP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000011888304 384301075 /nfs/dbraw/zinc/30/10/75/384301075.db2.gz ZCDGCAIFQPSTRB-JTQLQIEISA-N 2 0 210.346 1.919 50 0 BDAARP [NH3+]Cc1ccc(NC(=O)CC[NH+]2CCCC2)cc1 ZINC000022153725 384738172 /nfs/dbraw/zinc/73/81/72/384738172.db2.gz JBZPFERPWYOINL-UHFFFAOYSA-N 2 0 247.342 1.570 50 0 BDAARP c1ccc(CN2C[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000034453819 385281153 /nfs/dbraw/zinc/28/11/53/385281153.db2.gz HSZHVFDKBROTBA-CHWSQXEVSA-N 2 0 202.301 1.480 50 0 BDAARP C[NH+](C)CCC[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000004073255 386738831 /nfs/dbraw/zinc/73/88/31/386738831.db2.gz SLEPVAIBAAAITG-LBPRGKRZSA-N 2 0 228.380 1.733 50 0 biogenic BDAARP CCC(CC)[C@@H](CNC(N)=[NH2+])[NH+]1CCCC1 ZINC000069848667 388427044 /nfs/dbraw/zinc/42/70/44/388427044.db2.gz RDHUQDNTCQCVKP-LLVKDONJSA-N 2 0 226.368 1.370 50 0 BDAARP [NH3+]C1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000261530799 135159488 /nfs/dbraw/zinc/15/94/88/135159488.db2.gz DDFFXELIGCMQLN-UNXYVOJBSA-N 2 0 228.405 1.989 50 0 BDAARP COc1ccc(CC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000011889042 175090686 /nfs/dbraw/zinc/09/06/86/175090686.db2.gz DRLMMRGAPIWHGO-UHFFFAOYSA-N 2 0 248.370 1.908 50 0 BDAARP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000021948837 177246136 /nfs/dbraw/zinc/24/61/36/177246136.db2.gz SXCAMRDUPBADFT-PHIMTYICSA-N 2 0 212.337 1.095 50 0 BDAARP CCSC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000670450628 487500694 /nfs/dbraw/zinc/50/06/94/487500694.db2.gz AOUSWDNRUDTJIG-LLVKDONJSA-N 2 0 246.420 1.174 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1[NH2+]CCC[C@@H]1C[NH3+] ZINC000757213233 586439169 /nfs/dbraw/zinc/43/91/69/586439169.db2.gz PFBKXYHDNJXBJG-YGRLFVJLSA-N 2 0 244.342 1.871 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[C@H]([NH3+])CC[NH2+]1 ZINC000757213721 586439823 /nfs/dbraw/zinc/43/98/23/586439823.db2.gz QSUFMVQCIBPYSA-BXKDBHETSA-N 2 0 230.315 1.623 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[NH2+]C[C@@H]([NH3+])C1 ZINC000757213667 586439984 /nfs/dbraw/zinc/43/99/84/586439984.db2.gz QMJLECHKIBNFFM-ZJUUUORDSA-N 2 0 230.315 1.276 50 0 BDAARP CC1(C)CC(O)([C@@H]([NH3+])C2CC2)CC(C)(C)[NH2+]1 ZINC000958527929 635551907 /nfs/dbraw/zinc/55/19/07/635551907.db2.gz IWFQGHICPLGLIX-JTQLQIEISA-N 2 0 226.364 1.395 50 0 BDAARP CC[NH+]1CCC(N2CC[NH+](CC)CC2)CC1 ZINC000022455693 636057471 /nfs/dbraw/zinc/05/74/71/636057471.db2.gz MBHXNBGFVYWLML-UHFFFAOYSA-N 2 0 225.380 1.108 50 0 BDAARP CC(C)C[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958527878 644806106 /nfs/dbraw/zinc/80/61/06/644806106.db2.gz ICRKUKFRIRXZEL-DAAZQVBGSA-N 2 0 226.364 1.348 50 0 BDAARP COc1cc(C)ccc1OCC[NH2+]CCC[NH3+] ZINC000004831978 342752967 /nfs/dbraw/zinc/75/29/67/342752967.db2.gz KRIMROYLHGLLLK-UHFFFAOYSA-N 2 0 238.331 1.321 50 0 BDAARP CC[NH+](CC)CCOc1ccccc1C[NH3+] ZINC000011801017 342843524 /nfs/dbraw/zinc/84/35/24/342843524.db2.gz QKTZEXRCEPPMOB-UHFFFAOYSA-N 2 0 222.332 1.866 50 0 BDAARP CC[NH+](CC)CCNCC[NH+](CC)CC ZINC000019364754 342946919 /nfs/dbraw/zinc/94/69/19/342946919.db2.gz UICCSKORMGVRCB-UHFFFAOYSA-N 2 0 215.385 1.260 50 0 BDAARP C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000020230863 342978021 /nfs/dbraw/zinc/97/80/21/342978021.db2.gz ITFXPPPQNKXGRV-UHFFFAOYSA-N 2 0 233.359 1.153 50 0 BDAARP C[N@H+](C[C@H]1CCCOC1)CC(C)(C)[NH3+] ZINC000082545728 343447843 /nfs/dbraw/zinc/44/78/43/343447843.db2.gz HYGNAMHNQNZXBE-SNVBAGLBSA-N 2 0 200.326 1.082 50 0 BDAARP C[N@H+](CC1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000042783260 343452857 /nfs/dbraw/zinc/45/28/57/343452857.db2.gz MOODZKXNWUAEJL-ZDUSSCGKSA-N 2 0 226.364 1.344 50 0 BDAARP CCc1nc(C)sc1CN[C@@H]1CCC[NH2+]C1 ZINC000067723489 343902069 /nfs/dbraw/zinc/90/20/69/343902069.db2.gz XXLFVRQZSQBJJY-SNVBAGLBSA-N 2 0 239.388 1.856 50 0 BDAARP C(OCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000072233193 344518739 /nfs/dbraw/zinc/51/87/39/344518739.db2.gz AOOYFQXFKMQIFW-UHFFFAOYSA-N 2 0 212.337 1.002 50 0 BDAARP C([C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000098063900 191061249 /nfs/dbraw/zinc/06/12/49/191061249.db2.gz QROOVRUKCMDFKC-KGLIPLIRSA-N 2 0 237.391 1.156 50 0 BDAARP Cc1ncsc1CN1CCC[C@@H]1C[NH3+] ZINC000168788309 180315772 /nfs/dbraw/zinc/31/57/72/180315772.db2.gz DQPPXHXQGFZIHH-SECBINFHSA-N 2 0 211.334 1.375 50 0 BDAARP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)C[C@H]1C ZINC000309040255 538110170 /nfs/dbraw/zinc/11/01/70/538110170.db2.gz KSPRLIGDOJXHNA-GRYCIOLGSA-N 2 0 228.405 1.954 50 0 BDAARP Cc1ccc(C)c(NC(=[NH2+])NC(N)=[NH2+])c1 ZINC000005765286 188337567 /nfs/dbraw/zinc/33/75/67/188337567.db2.gz BLPASGLAKXDURP-UHFFFAOYSA-N 2 0 205.265 1.133 50 0 BDAARP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000051990737 188399852 /nfs/dbraw/zinc/39/98/52/188399852.db2.gz BFYSADBFTABSCZ-UONOGXRCSA-N 2 0 240.391 1.752 50 0 BDAARP [NH3+]CCCN1CCO[C@@H](c2ccccc2)C1 ZINC000034936162 181380895 /nfs/dbraw/zinc/38/08/95/181380895.db2.gz XBVJKHBMRMYZDU-CYBMUJFWSA-N 2 0 220.316 1.409 50 0 BDAARP [NH3+]CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000019688179 181380981 /nfs/dbraw/zinc/38/09/81/181380981.db2.gz SGWWVOPEVJJMDC-UHFFFAOYSA-N 2 0 225.380 1.286 50 0 BDAARP [NH3+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000011801136 181411841 /nfs/dbraw/zinc/41/18/41/181411841.db2.gz OSURFVDXQNXRKP-UHFFFAOYSA-N 2 0 234.343 1.662 50 0 BDAARP [NH3+]C[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000011800150 181418839 /nfs/dbraw/zinc/41/88/39/181418839.db2.gz DIKWQIMBHCYMCJ-CQSZACIVSA-N 2 0 218.344 1.900 50 0 BDAARP C[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000168573386 368396308 /nfs/dbraw/zinc/39/63/08/368396308.db2.gz UMKXOVBYIBQJBM-WCQYABFASA-N 2 0 204.317 1.856 50 0 BDAARP C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000039348981 368376491 /nfs/dbraw/zinc/37/64/91/368376491.db2.gz TWPUPYDZIUZHII-KBPBESRZSA-N 2 0 216.328 1.680 50 0 BDAARP CCOCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000169616689 170375456 /nfs/dbraw/zinc/37/54/56/170375456.db2.gz AMSJCLFYWQBSTK-QWRGUYRKSA-N 2 0 200.326 1.082 50 0 BDAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000000757065 169186810 /nfs/dbraw/zinc/18/68/10/169186810.db2.gz ASWQIEUYVSQWRV-ZDUSSCGKSA-N 2 0 240.391 1.565 50 0 BDAARP C(CC[C@H]1CCCO1)C[NH2+]C1CC[NH2+]CC1 ZINC000067841919 383950170 /nfs/dbraw/zinc/95/01/70/383950170.db2.gz XZAPTWKYWRWOHI-ZDUSSCGKSA-N 2 0 226.364 1.677 50 0 BDAARP c1ccc2c(c1)CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC000014808485 384405866 /nfs/dbraw/zinc/40/58/66/384405866.db2.gz IKPZUTBWXLFVAL-UHFFFAOYSA-N 2 0 216.328 1.797 50 0 BDAARP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000044527934 385309506 /nfs/dbraw/zinc/30/95/06/385309506.db2.gz ZSXRVWIWZUXCGB-GFCCVEGCSA-N 2 0 220.316 1.563 50 0 BDAARP CCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000185883592 386731923 /nfs/dbraw/zinc/73/19/23/386731923.db2.gz SCGXSUAPQCYPAN-UHFFFAOYSA-N 2 0 219.332 1.922 50 0 BDAARP C[C@H]([NH2+]Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000037221175 388238362 /nfs/dbraw/zinc/23/83/62/388238362.db2.gz VWQKLAYZXSJJQR-LBPRGKRZSA-N 2 0 233.359 1.902 50 0 BDAARP Cc1n[nH]cc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037648931 388474653 /nfs/dbraw/zinc/47/46/53/388474653.db2.gz VVAMSZZBDDNAGD-NSHDSACASA-N 2 0 234.347 1.292 50 0 BDAARP CCOC(=O)CC[NH2+]C[C@H]1CCCN1CC ZINC000036667639 170209585 /nfs/dbraw/zinc/20/95/85/170209585.db2.gz ZPTCRPRYBUXBTH-LLVKDONJSA-N 2 0 228.336 1.014 50 0 BDAARP COc1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000004384431 175254415 /nfs/dbraw/zinc/25/44/15/175254415.db2.gz FNIMPJHHWTVWSJ-UHFFFAOYSA-N 2 0 208.305 1.476 50 0 BDAARP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000049708370 176371203 /nfs/dbraw/zinc/37/12/03/176371203.db2.gz ZXRSAZKEWVLRNS-YPMHNXCESA-N 2 0 204.317 1.998 50 0 BDAARP Cc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000252467615 525066332 /nfs/dbraw/zinc/06/63/32/525066332.db2.gz WBSJEIDOZZTLER-NSHDSACASA-N 2 0 247.346 1.042 50 0 BDAARP C[NH+](C)CCOc1ccccc1N1CC[NH2+]CC1 ZINC000043461316 535916244 /nfs/dbraw/zinc/91/62/44/535916244.db2.gz MZUBUHQECMSCCF-UHFFFAOYSA-N 2 0 249.358 1.037 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[NH2+]C[C@H]([NH3+])C1 ZINC000757213653 586439780 /nfs/dbraw/zinc/43/97/80/586439780.db2.gz QMJLECHKIBNFFM-NXEZZACHSA-N 2 0 230.315 1.276 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[C@@H]([NH3+])CC[NH2+]1 ZINC000757213727 586439895 /nfs/dbraw/zinc/43/98/95/586439895.db2.gz QSUFMVQCIBPYSA-JOYOIKCWSA-N 2 0 230.315 1.623 50 0 BDAARP C([NH2+]C1CSCCSC1)C1CC[NH2+]CC1 ZINC000426525882 635727299 /nfs/dbraw/zinc/72/72/99/635727299.db2.gz JAZKGVFZFPLGSI-UHFFFAOYSA-N 2 0 246.445 1.424 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000231419709 641173010 /nfs/dbraw/zinc/17/30/10/641173010.db2.gz QQLSQWMHHGOPEP-UHFFFAOYSA-N 2 0 223.295 1.391 50 0 BDAARP CN(C)C(=[NH2+])NC(=[NH2+])Nc1ccccc1 ZINC000000282215 642765341 /nfs/dbraw/zinc/76/53/41/642765341.db2.gz WFEORMLTIAPZLH-UHFFFAOYSA-N 2 0 205.265 1.119 50 0 BDAARP Cc1cc(CC(N)=[NH2+])c(C)cc1CC(N)=[NH2+] ZINC000000435720 642775588 /nfs/dbraw/zinc/77/55/88/642775588.db2.gz YJJIAOXRXIMXNW-UHFFFAOYSA-N 2 0 218.304 1.260 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H](C[NH3+])C[NH2+]1 ZINC000757211100 643371928 /nfs/dbraw/zinc/37/19/28/643371928.db2.gz JDHDSVVUIAAFRE-GXFFZTMASA-N 2 0 244.342 1.871 50 0 BDAARP [NH3+][C@@H](c1ccccc1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527525 644806117 /nfs/dbraw/zinc/80/61/17/644806117.db2.gz BQJPDRWPMQDARL-WJLOJVBCSA-N 2 0 232.327 1.332 50 0 BDAARP C[N@@H+]1CCC2(C1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC000823769798 968559880 /nfs/dbraw/zinc/55/98/80/968559880.db2.gz BTPMLHFEDNZODW-ZDUSSCGKSA-N 2 0 238.375 1.583 50 0 BDAARP CC[NH+](CC)CCNC1CC[NH+](CC)CC1 ZINC000019735362 342955341 /nfs/dbraw/zinc/95/53/41/342955341.db2.gz BTOVAHLUULIHBF-UHFFFAOYSA-N 2 0 227.396 1.402 50 0 BDAARP Cc1[nH+]c2cc(N)ccc2n1CCC[NH+](C)C ZINC000044965587 180082761 /nfs/dbraw/zinc/08/27/61/180082761.db2.gz ZNBZCDIJZUGQNZ-UHFFFAOYSA-N 2 0 232.331 1.879 50 0 BDAARP CC(C)C[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC000019688675 351354363 /nfs/dbraw/zinc/35/43/63/351354363.db2.gz KSCYFEWQDWKYIK-UHFFFAOYSA-N 2 0 225.380 1.012 50 0 BDAARP Cc1n[nH]cc1CNC1CC[NH+](C(C)C)CC1 ZINC000036901671 188255110 /nfs/dbraw/zinc/25/51/10/188255110.db2.gz AEAVHQJWFUPROS-UHFFFAOYSA-N 2 0 236.363 1.681 50 0 BDAARP C([C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000075906096 188308556 /nfs/dbraw/zinc/30/85/56/188308556.db2.gz QROOVRUKCMDFKC-KBPBESRZSA-N 2 0 237.391 1.156 50 0 BDAARP C[n+]1ccc(/C=C/c2cc[n+](C)cc2)cc1 ZINC000004823082 356362763 /nfs/dbraw/zinc/36/27/63/356362763.db2.gz XRIOCMZNEKUBEW-ONEGZZNKSA-N 2 0 212.296 1.506 50 0 BDAARP [NH3+]CCC[NH2+]CCOc1ccc(Cl)cc1 ZINC000020166911 181381733 /nfs/dbraw/zinc/38/17/33/181381733.db2.gz XVUQCZXRUFGCGO-UHFFFAOYSA-N 2 0 228.723 1.657 50 0 BDAARP COC[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)nc2c1 ZINC000584890073 369037579 /nfs/dbraw/zinc/03/75/79/369037579.db2.gz CGNJHVNDUNCBST-SECBINFHSA-N 2 0 233.315 1.996 50 0 BDAARP c1csc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000010434630 183519242 /nfs/dbraw/zinc/51/92/42/183519242.db2.gz VABJJJZVPVSAAJ-UHFFFAOYSA-N 2 0 210.346 1.837 50 0 BDAARP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000036128423 383880859 /nfs/dbraw/zinc/88/08/59/383880859.db2.gz HRXNASKZMPBQGA-CYBMUJFWSA-N 2 0 220.316 1.102 50 0 BDAARP C[NH+](C)CCC[NH2+]CCc1ccccc1 ZINC000010435617 384272436 /nfs/dbraw/zinc/27/24/36/384272436.db2.gz GRFCTUZSPFNFDP-UHFFFAOYSA-N 2 0 206.333 1.770 50 0 BDAARP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000026472770 384876475 /nfs/dbraw/zinc/87/64/75/384876475.db2.gz XUZFLQOWHVNBQZ-CYBMUJFWSA-N 2 0 220.316 1.236 50 0 BDAARP CS[C@@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1 ZINC000221673709 388594429 /nfs/dbraw/zinc/59/44/29/388594429.db2.gz ULAZLSDVKZZYMG-WDEREUQCSA-N 2 0 216.394 1.810 50 0 BDAARP CCc1[nH+]c(N)nc(N2CCC[C@@H](C[NH3+])C2)c1C ZINC000095385834 132429830 /nfs/dbraw/zinc/42/98/30/132429830.db2.gz OFKPPCAXBLRVBV-JTQLQIEISA-N 2 0 249.362 1.105 50 0 BDAARP COCC[NH2+][C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000096669768 174339452 /nfs/dbraw/zinc/33/94/52/174339452.db2.gz QJJQGUVAFHVGCW-CYBMUJFWSA-N 2 0 226.364 1.487 50 0 BDAARP C[C@@H]1C[NH+](CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000021948835 176286116 /nfs/dbraw/zinc/28/61/16/176286116.db2.gz SXCAMRDUPBADFT-GHMZBOCLSA-N 2 0 212.337 1.095 50 0 BDAARP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000220665372 491110136 /nfs/dbraw/zinc/11/01/36/491110136.db2.gz JTTOFOMDXGVESR-TUAOUCFPSA-N 2 0 228.405 1.989 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000757207456 582560247 /nfs/dbraw/zinc/56/02/47/582560247.db2.gz BFHFLCYJVCBITP-QWRGUYRKSA-N 2 0 244.342 1.523 50 0 BDAARP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccsc1 ZINC000170606799 136215843 /nfs/dbraw/zinc/21/58/43/136215843.db2.gz UPVZBAMPVJVESX-LLVKDONJSA-N 2 0 242.388 1.977 50 0 BDAARP Cc1cc[n+](CCC[n+]2ccc(C)cc2)cc1 ZINC000000396355 178309142 /nfs/dbraw/zinc/30/91/42/178309142.db2.gz PEKZHVPYKJJGQZ-UHFFFAOYSA-N 2 0 228.339 1.969 50 0 BDAARP Cc1c[nH+]c(C2CCOCC2)n1CC1C[NH2+]C1 ZINC000253413291 398280630 /nfs/dbraw/zinc/28/06/30/398280630.db2.gz UJPCKHDVCJCCHH-UHFFFAOYSA-N 2 0 235.331 1.305 50 0 BDAARP CN(C[C@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000022212996 343044346 /nfs/dbraw/zinc/04/43/46/343044346.db2.gz SSBICFQKMDXFBD-HNNXBMFYSA-N 2 0 247.386 1.712 50 0 BDAARP C[N@@H+]1CCC[C@H]1CCNC1CC[NH+](C)CC1 ZINC000000182775 343268963 /nfs/dbraw/zinc/26/89/63/343268963.db2.gz RGWCSHVMKHVOCE-ZDUSSCGKSA-N 2 0 225.380 1.155 50 0 BDAARP c1ccc(C[NH+]2CCN([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000601013349 350329619 /nfs/dbraw/zinc/32/96/19/350329619.db2.gz NTYIEWSFWJIQFQ-HNNXBMFYSA-N 2 0 245.370 1.514 50 0 BDAARP NC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)c(Cl)c1 ZINC000006091809 181188165 /nfs/dbraw/zinc/18/81/65/181188165.db2.gz ZJAWVBLMRPEUPW-UHFFFAOYSA-N 2 0 246.101 1.823 50 0 BDAARP c1ccc(CN2CCC[NH2+]CCOCC2)cc1 ZINC000685939338 538886141 /nfs/dbraw/zinc/88/61/41/538886141.db2.gz HDOPMBNZOYOPRX-UHFFFAOYSA-N 2 0 234.343 1.499 50 0 BDAARP c1cc[n+](CCC[n+]2ccccc2)cc1 ZINC000000390794 183378785 /nfs/dbraw/zinc/37/87/85/183378785.db2.gz KMPKEANIOVTMHB-UHFFFAOYSA-N 2 0 200.285 1.352 50 0 BDAARP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC(C)(C)O ZINC000096421136 385149063 /nfs/dbraw/zinc/14/90/63/385149063.db2.gz IPIGHLASMMBUBB-LLVKDONJSA-N 2 0 214.353 1.031 50 0 BDAARP C[N@H+](CCCO)CC[C@@H]1CCCC[NH+]1C ZINC000075860835 388358814 /nfs/dbraw/zinc/35/88/14/388358814.db2.gz FNWPFJJPJDEITL-LBPRGKRZSA-N 2 0 214.353 1.175 50 0 BDAARP C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)C(C)(C)C ZINC000095421919 388769452 /nfs/dbraw/zinc/76/94/52/388769452.db2.gz KIRVRSRUXYZZDN-XQQFMLRXSA-N 2 0 240.391 1.874 50 0 BDAARP C[NH+]1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC000003426746 173002591 /nfs/dbraw/zinc/00/25/91/173002591.db2.gz FSDMQOWLLXKURF-LBPRGKRZSA-N 2 0 232.327 1.933 50 0 BDAARP C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000063166233 173338396 /nfs/dbraw/zinc/33/83/96/173338396.db2.gz IIIOFCNWSVIVGY-HNNXBMFYSA-N 2 0 248.370 1.651 50 0 BDAARP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203930 173381380 /nfs/dbraw/zinc/38/13/80/173381380.db2.gz ZSYALYBRMVKYAS-CYBMUJFWSA-N 2 0 204.317 1.728 50 0 BDAARP COCC[N@H+](C)CC[C@H]([NH3+])c1ccccc1 ZINC000042460288 174278496 /nfs/dbraw/zinc/27/84/96/174278496.db2.gz KKNYJWAJPJRWHC-ZDUSSCGKSA-N 2 0 222.332 1.655 50 0 BDAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000206966542 176305865 /nfs/dbraw/zinc/30/58/65/176305865.db2.gz MGTFEKWKCLDVNN-DGCLKSJQSA-N 2 0 204.317 1.856 50 0 BDAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccn1 ZINC000036907788 177332184 /nfs/dbraw/zinc/33/21/84/177332184.db2.gz LXSCDXAHRNDHAW-VNHYZAJKSA-N 2 0 247.386 1.942 50 0 BDAARP Cc1nc(C[NH+]2CCC(C[NH3+])CC2)sc1C ZINC000087391326 323172250 /nfs/dbraw/zinc/17/22/50/323172250.db2.gz YMVUVSYFMVZNGK-UHFFFAOYSA-N 2 0 239.388 1.931 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[NH2+]CC[C@@H]1[NH3+] ZINC000757212106 586438865 /nfs/dbraw/zinc/43/88/65/586438865.db2.gz LPVODKCTTXHODT-ONGXEEELSA-N 2 0 230.315 1.276 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1[NH2+]CCC[C@H]1C[NH3+] ZINC000757213230 586439242 /nfs/dbraw/zinc/43/92/42/586439242.db2.gz PFBKXYHDNJXBJG-HZMBPMFUSA-N 2 0 244.342 1.871 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1C[C@H](C[NH3+])CC[NH2+]1 ZINC000757213037 586439318 /nfs/dbraw/zinc/43/93/18/586439318.db2.gz NISONDBJJCLGMX-QMTHXVAHSA-N 2 0 244.342 1.871 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C[NH3+])CC[NH2+]1 ZINC000757213033 586439592 /nfs/dbraw/zinc/43/95/92/586439592.db2.gz NISONDBJJCLGMX-HZMBPMFUSA-N 2 0 244.342 1.871 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1N ZINC000757215168 586440127 /nfs/dbraw/zinc/44/01/27/586440127.db2.gz VCEHOPBFEHPPBR-IIMNLJJBSA-N 2 0 244.342 1.869 50 0 BDAARP Cc1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000426497097 635727258 /nfs/dbraw/zinc/72/72/58/635727258.db2.gz YGFCBWNFWJQJLY-UHFFFAOYSA-N 2 0 234.347 1.294 50 0 BDAARP [NH3+][C@@H](C1CCCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528570 644807801 /nfs/dbraw/zinc/80/78/01/644807801.db2.gz VFSCKUSRFPFELG-FXJUQPSGSA-N 2 0 224.348 1.149 50 0 BDAARP CC[N@@H+]1CCC[C@H]1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000823110221 968539794 /nfs/dbraw/zinc/53/97/94/968539794.db2.gz UOAQVTDEMOWMPC-CRWXNKLISA-N 2 0 237.391 1.140 50 0 BDAARP C/C=C(\C)C[NH2+]C[C@H]1CCC[N@@H+](CCOC)C1 ZINC000952869084 974048848 /nfs/dbraw/zinc/04/88/48/974048848.db2.gz WEJFRNWWPOAUOE-QJIMOZNHSA-N 2 0 240.391 1.901 50 0 BDAARP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034061594 343263674 /nfs/dbraw/zinc/26/36/74/343263674.db2.gz MVLOUNCMDFCYHO-AAEUAGOBSA-N 2 0 204.317 1.856 50 0 BDAARP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC2)C[C@H]1C ZINC000309040257 538110238 /nfs/dbraw/zinc/11/02/38/538110238.db2.gz KSPRLIGDOJXHNA-WOPDTQHZSA-N 2 0 228.405 1.954 50 0 BDAARP Fc1ccccc1[C@@H]1NCC[C@@H]2[NH+]=CN[C@H]21 ZINC000216227148 188355776 /nfs/dbraw/zinc/35/57/76/188355776.db2.gz CUGLGYBRHHCWRK-SDDRHHMPSA-N 2 0 219.263 1.229 50 0 BDAARP [NH3+]CC1(N2CCSCC2)CCCC1 ZINC000020257123 181360772 /nfs/dbraw/zinc/36/07/72/181360772.db2.gz SCWMAKVILHASMA-UHFFFAOYSA-N 2 0 200.351 1.307 50 0 BDAARP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccoc2)C[C@H]1O ZINC000584893491 369040815 /nfs/dbraw/zinc/04/08/15/369040815.db2.gz JQLSVCIXXKSYJF-QWHCGFSZSA-N 2 0 238.331 1.024 50 0 BDAARP O[C@@H](C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000038040845 183179125 /nfs/dbraw/zinc/17/91/25/183179125.db2.gz NRYHIIHGRRHTMH-ZDUSSCGKSA-N 2 0 220.316 1.062 50 0 BDAARP CCC[NH+]1CCC(CNC2=[NH+]CCCN2)CC1 ZINC000069350439 169186802 /nfs/dbraw/zinc/18/68/02/169186802.db2.gz COVVRBJNWSSQIY-UHFFFAOYSA-N 2 0 238.379 1.047 50 0 BDAARP C[NH+]1CCN(CCC[NH2+]Cc2ccco2)CC1 ZINC000019702671 384534781 /nfs/dbraw/zinc/53/47/81/384534781.db2.gz KUQJAVXUDNIBTC-UHFFFAOYSA-N 2 0 237.347 1.007 50 0 BDAARP C[NH+](C)CCn1c2ccccc2nc1CC[NH3+] ZINC000019734134 384535365 /nfs/dbraw/zinc/53/53/65/384535365.db2.gz AINOOVUEMHGNFE-UHFFFAOYSA-N 2 0 232.331 1.099 50 0 BDAARP c1ccc2c(c1)CCN(C[C@H]1CCC[NH2+]1)C2 ZINC000020073085 384568950 /nfs/dbraw/zinc/56/89/50/384568950.db2.gz NWJDMSUBAMZDOC-CQSZACIVSA-N 2 0 216.328 1.797 50 0 BDAARP C1CC2(C[N@@H+]1[C@@H]1CCCSC1)CC[NH2+]CC2 ZINC000257709136 386735757 /nfs/dbraw/zinc/73/57/57/386735757.db2.gz NGEQLOGMMBGBAV-GFCCVEGCSA-N 2 0 240.416 1.958 50 0 BDAARP CC[NH+](CC)CCCN1CCOCC12CCC2 ZINC000191591704 387495186 /nfs/dbraw/zinc/49/51/86/387495186.db2.gz PIFRWTGRXDAGNN-UHFFFAOYSA-N 2 0 240.391 1.973 50 0 BDAARP CC[NH+](CC)CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248958383 387510882 /nfs/dbraw/zinc/51/08/82/387510882.db2.gz BUAATDNMODQKNF-AWEZNQCLSA-N 2 0 239.407 1.498 50 0 BDAARP CC(C)[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000095420255 388769803 /nfs/dbraw/zinc/76/98/03/388769803.db2.gz VWTMHHSJAYPOSU-AWEZNQCLSA-N 2 0 241.423 1.648 50 0 BDAARP CN1CCC[C@@](O)(C[NH2+]Cc2cccs2)C1 ZINC000046087394 411156939 /nfs/dbraw/zinc/15/69/39/411156939.db2.gz HKKKHXCENHQRBI-GFCCVEGCSA-N 2 0 240.372 1.294 50 0 BDAARP CN1CCC[C@](O)(C[NH2+]Cc2cccs2)C1 ZINC000046087392 411157072 /nfs/dbraw/zinc/15/70/72/411157072.db2.gz HKKKHXCENHQRBI-LBPRGKRZSA-N 2 0 240.372 1.294 50 0 BDAARP C[NH+]1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC000003426744 173001663 /nfs/dbraw/zinc/00/16/63/173001663.db2.gz FSDMQOWLLXKURF-GFCCVEGCSA-N 2 0 232.327 1.933 50 0 BDAARP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC(C)(C)O ZINC000096421137 173039522 /nfs/dbraw/zinc/03/95/22/173039522.db2.gz IPIGHLASMMBUBB-NSHDSACASA-N 2 0 214.353 1.031 50 0 BDAARP C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000098210292 173367425 /nfs/dbraw/zinc/36/74/25/173367425.db2.gz AWKWXITXBWLLJK-CMPLNLGQSA-N 2 0 222.336 1.022 50 0 BDAARP COC1CC[NH+]([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000037266112 174030896 /nfs/dbraw/zinc/03/08/96/174030896.db2.gz MUSCNOITVGNPJL-RYUDHWBXSA-N 2 0 212.337 1.367 50 0 BDAARP COCC[N@@H+]1CC[C@H](C[NH2+]C2CCCC2)C1 ZINC000076461751 174313508 /nfs/dbraw/zinc/31/35/08/174313508.db2.gz SFIBYSBWEYMYQQ-GFCCVEGCSA-N 2 0 226.364 1.487 50 0 BDAARP C[C@@H]1C[NH+](Cc2ccccc2C[NH3+])C[C@@H](C)O1 ZINC000021952920 176307187 /nfs/dbraw/zinc/30/71/87/176307187.db2.gz OYLCGJSRLTUEOC-VXGBXAGGSA-N 2 0 234.343 1.755 50 0 BDAARP [NH3+]CC[C@H]1C[N@H+](CCCc2cccnc2)CCO1 ZINC000244608574 527195566 /nfs/dbraw/zinc/19/55/66/527195566.db2.gz FEXPTXQPIWNNNX-AWEZNQCLSA-N 2 0 249.358 1.064 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000757216143 582560718 /nfs/dbraw/zinc/56/07/18/582560718.db2.gz YBEQNHUUCFGELZ-GHMZBOCLSA-N 2 0 244.342 1.523 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]C[C@H]([NH3+])C1 ZINC000757212168 586438875 /nfs/dbraw/zinc/43/88/75/586438875.db2.gz MFRPPDOBECEYQN-MWLCHTKSSA-N 2 0 230.315 1.276 50 0 BDAARP CC/C=C(\C)CN1CCN2CC[N@H+](C)C[C@H]2C1 ZINC000248155417 644666594 /nfs/dbraw/zinc/66/65/94/644666594.db2.gz VMUOXXHUFBPPIN-GUVYXZIWSA-N 2 0 237.391 1.274 50 0 BDAARP [NH3+][C@@H](C1CCCCCC1)C1(O)CC[NH2+]CC1 ZINC000958527960 644806861 /nfs/dbraw/zinc/80/68/61/644806861.db2.gz JSQBPAKASANOFZ-LBPRGKRZSA-N 2 0 226.364 1.399 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1C[C@H]([NH3+])CC[NH2+]1 ZINC000757213957 712583201 /nfs/dbraw/zinc/58/32/01/712583201.db2.gz SCBPHCALGLUTMS-ZWNOBZJWSA-N 2 0 230.315 1.623 50 0 BDAARP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000002525360 342722471 /nfs/dbraw/zinc/72/24/71/342722471.db2.gz AWOBBFYDHSJOIL-ZDUSSCGKSA-N 2 0 204.317 2.000 50 0 BDAARP CC[NH+]1CCC([NH2+]CCc2ccccn2)CC1 ZINC000019093437 342941742 /nfs/dbraw/zinc/94/17/42/342941742.db2.gz YXNCZCFSYQMIKE-UHFFFAOYSA-N 2 0 233.359 1.698 50 0 BDAARP CN1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038095339 344700706 /nfs/dbraw/zinc/70/07/06/344700706.db2.gz KSMXJGHMWLVYNU-LBPRGKRZSA-N 2 0 212.337 1.239 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000004203023 181365619 /nfs/dbraw/zinc/36/56/19/181365619.db2.gz KNUKUWNSGVICSX-UHFFFAOYSA-N 2 0 204.317 1.857 50 0 BDAARP [NH3+]CCCCCC[NH2+]CCCCCC[NH3+] ZINC000001598087 181375214 /nfs/dbraw/zinc/37/52/14/181375214.db2.gz MRNZSTMRDWRNNR-UHFFFAOYSA-N 3 0 215.385 1.614 50 0 in-vivo BDAARP c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000042783303 183398732 /nfs/dbraw/zinc/39/87/32/183398732.db2.gz XHKKGYJNEBYKOL-OAHLLOKOSA-N 2 0 245.370 1.166 50 0 BDAARP C[NH+](C)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000041226746 384183338 /nfs/dbraw/zinc/18/33/38/384183338.db2.gz QKZQZLFNHGBKPY-SNVBAGLBSA-N 2 0 212.724 1.944 50 0 BDAARP c1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434617 384274115 /nfs/dbraw/zinc/27/41/15/384274115.db2.gz NIJBXLYZZSJXFU-UHFFFAOYSA-N 2 0 204.317 1.776 50 0 BDAARP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000019088852 384508805 /nfs/dbraw/zinc/50/88/05/384508805.db2.gz IBSQNIPUVCQZAC-CYBMUJFWSA-N 2 0 204.317 1.857 50 0 BDAARP C[NH+](C)CCCn1c2ccccc2nc1CC[NH3+] ZINC000019734136 384534836 /nfs/dbraw/zinc/53/48/36/384534836.db2.gz FOXUNQAUYNIDHM-UHFFFAOYSA-N 2 0 246.358 1.489 50 0 BDAARP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000049708366 384558689 /nfs/dbraw/zinc/55/86/89/384558689.db2.gz ZXRSAZKEWVLRNS-DGCLKSJQSA-N 2 0 204.317 1.998 50 0 BDAARP Cc1ccc(OCC[NH2+]CCC[NH3+])c(C)c1 ZINC000020167040 384590802 /nfs/dbraw/zinc/59/08/02/384590802.db2.gz LBHLEBIXWIRXGA-UHFFFAOYSA-N 2 0 222.332 1.621 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000082369460 384675530 /nfs/dbraw/zinc/67/55/30/384675530.db2.gz DUZSGEYBDJCPRP-KBPBESRZSA-N 2 0 216.328 1.728 50 0 BDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000426397319 387565316 /nfs/dbraw/zinc/56/53/16/387565316.db2.gz AWFMQEPAYVPVQN-FOLVSLTJSA-N 2 0 242.366 1.823 50 0 BDAARP Cc1ncn(CC[NH2+][C@@H](C)CC[NH+](C)C)c1C ZINC000670470923 487529543 /nfs/dbraw/zinc/52/95/43/487529543.db2.gz FDSZPMKHBARVCR-NSHDSACASA-N 2 0 238.379 1.430 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]CC[C@H]1[NH3+] ZINC000757212105 586438923 /nfs/dbraw/zinc/43/89/23/586438923.db2.gz LPVODKCTTXHODT-MWLCHTKSSA-N 2 0 230.315 1.276 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H]([NH3+])CC[NH2+]1 ZINC000757213724 586439877 /nfs/dbraw/zinc/43/98/77/586439877.db2.gz QSUFMVQCIBPYSA-CABZTGNLSA-N 2 0 230.315 1.623 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CC[C@@H](C)[C@H]1N ZINC000757215158 586440467 /nfs/dbraw/zinc/44/04/67/586440467.db2.gz VCEHOPBFEHPPBR-FZQKWOKYSA-N 2 0 244.342 1.869 50 0 BDAARP CCC(CC)[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958528255 644806051 /nfs/dbraw/zinc/80/60/51/644806051.db2.gz LQVIBTOOZPOZCZ-RBKKPWLPSA-N 2 0 240.391 1.738 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H]([NH3+])CC[NH2+]1 ZINC000757213941 712583146 /nfs/dbraw/zinc/58/31/46/712583146.db2.gz SCBPHCALGLUTMS-GWCFXTLKSA-N 2 0 230.315 1.623 50 0 BDAARP C/C=C(\C)C[NH2+]C[C@H]1CC[N@@H+](CCOC)C1 ZINC000952868052 974065961 /nfs/dbraw/zinc/06/59/61/974065961.db2.gz ASBFPNYXOQAOQI-YKAQBRKTSA-N 2 0 226.364 1.511 50 0 BDAARP CC[NH+](CC)CCCNC1CC[NH+](CC)CC1 ZINC000002523005 342722458 /nfs/dbraw/zinc/72/24/58/342722458.db2.gz OEWCSBKCAYOACJ-UHFFFAOYSA-N 2 0 241.423 1.792 50 0 BDAARP CC[NH+](CC)CCNC1CC[NH+](C)CC1 ZINC000019735360 342955481 /nfs/dbraw/zinc/95/54/81/342955481.db2.gz GCBYFXPUGDYLPV-UHFFFAOYSA-N 2 0 213.369 1.012 50 0 BDAARP C[N@H+](C[C@@H]1CCCOC1)CC(C)(C)[NH3+] ZINC000082545727 343447897 /nfs/dbraw/zinc/44/78/97/343447897.db2.gz HYGNAMHNQNZXBE-JTQLQIEISA-N 2 0 200.326 1.082 50 0 BDAARP Cc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000011729462 179073912 /nfs/dbraw/zinc/07/39/12/179073912.db2.gz DFJQENRMQNZDNL-UHFFFAOYSA-N 2 0 204.317 1.918 50 0 BDAARP CC[C@@H](C)[NH2+]CCNCC[NH2+][C@H](C)CC ZINC000019365110 347321379 /nfs/dbraw/zinc/32/13/79/347321379.db2.gz GSCPTGNMEGRVNR-VXGBXAGGSA-N 2 0 215.385 1.352 50 0 BDAARP [NH3+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000022176128 187764285 /nfs/dbraw/zinc/76/42/85/187764285.db2.gz HTFVKXJKSSRXQI-UHFFFAOYSA-N 2 0 220.316 1.102 50 0 BDAARP [NH3+]CCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000002469584 181382600 /nfs/dbraw/zinc/38/26/00/181382600.db2.gz PEISMEIIGOUEOP-UHFFFAOYSA-N 2 0 208.349 1.894 50 0 BDAARP [NH3+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000011956012 181485729 /nfs/dbraw/zinc/48/57/29/181485729.db2.gz MZTRPMDTKZJSDX-UHFFFAOYSA-N 2 0 220.316 1.620 50 0 BDAARP OCC[NH2+]CCC[NH2+]CC1CCCCC1 ZINC000013732741 183078074 /nfs/dbraw/zinc/07/80/74/183078074.db2.gz IPBRFSTZZHDGNT-UHFFFAOYSA-N 2 0 214.353 1.128 50 0 BDAARP C(CC[C@@H]1CCCO1)C[NH2+]C1CC[NH2+]CC1 ZINC000067841920 383950387 /nfs/dbraw/zinc/95/03/87/383950387.db2.gz XZAPTWKYWRWOHI-CYBMUJFWSA-N 2 0 226.364 1.677 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000100396281 384638495 /nfs/dbraw/zinc/63/84/95/384638495.db2.gz DUZSGEYBDJCPRP-KGLIPLIRSA-N 2 0 216.328 1.728 50 0 BDAARP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000082164327 384650617 /nfs/dbraw/zinc/65/06/17/384650617.db2.gz BIDKDUYMXXPICF-DGCLKSJQSA-N 2 0 204.317 1.856 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000082972343 384730736 /nfs/dbraw/zinc/73/07/36/384730736.db2.gz DUZSGEYBDJCPRP-UONOGXRCSA-N 2 0 216.328 1.728 50 0 BDAARP Cn1c2ccccc2nc1NCC[NH+](C)C ZINC000000513011 385352232 /nfs/dbraw/zinc/35/22/32/385352232.db2.gz FYNRPGBHAHGCBC-UHFFFAOYSA-N 2 0 218.304 1.547 50 0 BDAARP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000051990734 386779412 /nfs/dbraw/zinc/77/94/12/386779412.db2.gz BFYSADBFTABSCZ-ZIAGYGMSSA-N 2 0 240.391 1.752 50 0 BDAARP c1ccc2c(c1)CC([N@@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC000426388124 387562198 /nfs/dbraw/zinc/56/21/98/387562198.db2.gz GTAPQAQNMQJPAN-DZGCQCFKSA-N 2 0 228.339 1.448 50 0 BDAARP Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(N)[nH+]1 ZINC000051917407 132361993 /nfs/dbraw/zinc/36/19/93/132361993.db2.gz IMFZTUKLBVNKOJ-LLVKDONJSA-N 2 0 247.346 1.042 50 0 BDAARP C[NH+](C)CCC[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000002109129 398095540 /nfs/dbraw/zinc/09/55/40/398095540.db2.gz SLEPVAIBAAAITG-GFCCVEGCSA-N 2 0 228.380 1.733 50 0 biogenic BDAARP C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1c1ccccc1 ZINC000071373447 173190653 /nfs/dbraw/zinc/19/06/53/173190653.db2.gz LEIAGDQCKRSLTQ-AVGNSLFASA-N 2 0 202.301 1.509 50 0 BDAARP COc1ccc(OC)c([C@@](C)(C[NH3+])CC[NH3+])c1 ZINC000004795982 175168143 /nfs/dbraw/zinc/16/81/43/175168143.db2.gz BWWQVJSNLDLCEH-CYBMUJFWSA-N 2 0 238.331 1.269 50 0 BDAARP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH+](C)C)cc1)C(N)=O ZINC000032582036 176014314 /nfs/dbraw/zinc/01/43/14/176014314.db2.gz ZAFXEKGQBAXSGJ-MNOVXSKESA-N 2 0 249.358 1.273 50 0 BDAARP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000082164331 176368121 /nfs/dbraw/zinc/36/81/21/176368121.db2.gz BIDKDUYMXXPICF-YPMHNXCESA-N 2 0 204.317 1.856 50 0 BDAARP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000026515241 177247185 /nfs/dbraw/zinc/24/71/85/177247185.db2.gz VAXHDQLLHKKJFR-TXEJJXNPSA-N 2 0 226.364 1.485 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H]([NH3+])CN1 ZINC000757207365 586437239 /nfs/dbraw/zinc/43/72/39/586437239.db2.gz AGXTVAYSGVYUNB-CMPLNLGQSA-N 2 0 230.315 1.623 50 0 BDAARP CCC(CC)[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528258 635551938 /nfs/dbraw/zinc/55/19/38/635551938.db2.gz PHNBYBSNDZJDNE-FXJUQPSGSA-N 2 0 226.364 1.395 50 0 BDAARP CC[NH+](CC)CCN(C)C1CC[NH+](CC)CC1 ZINC000019636380 633790633 /nfs/dbraw/zinc/79/06/33/633790633.db2.gz NZOBTXPQEBGYPU-UHFFFAOYSA-N 2 0 241.423 1.744 50 0 BDAARP CC[N@@H+]1CCC[C@@H]1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000823110233 968538387 /nfs/dbraw/zinc/53/83/87/968538387.db2.gz UOAQVTDEMOWMPC-XJFOESAGSA-N 2 0 237.391 1.140 50 0 BDAARP Fc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434631 342836117 /nfs/dbraw/zinc/83/61/17/342836117.db2.gz CQULABRTQCKOHM-UHFFFAOYSA-N 2 0 222.307 1.915 50 0 BDAARP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000014007980 342875649 /nfs/dbraw/zinc/87/56/49/342875649.db2.gz AZKBNPLDOBTBBR-BFHYXJOUSA-N 2 0 216.328 1.856 50 0 BDAARP CC[NH+]1CCC(NCC[NH+]2CCCCC2)CC1 ZINC000022455832 343140192 /nfs/dbraw/zinc/14/01/92/343140192.db2.gz PZTPBSWUJWCZGU-UHFFFAOYSA-N 2 0 239.407 1.546 50 0 BDAARP CN1CCC([N@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032547753 343237274 /nfs/dbraw/zinc/23/72/74/343237274.db2.gz ABWYYHOOAAJGIN-AWEZNQCLSA-N 2 0 240.391 1.972 50 0 BDAARP CCN1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC000034118495 346202815 /nfs/dbraw/zinc/20/28/15/346202815.db2.gz LAXHKLZXVYCQDQ-CABCVRRESA-N 2 0 248.370 1.794 50 0 BDAARP C[NH+](C)C[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000601014765 350329635 /nfs/dbraw/zinc/32/96/35/350329635.db2.gz BUUNJRAKOZFHMS-STQMWFEESA-N 2 0 204.317 1.551 50 0 BDAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CCCSC1)C2 ZINC000426593513 191099830 /nfs/dbraw/zinc/09/98/30/191099830.db2.gz AMUCWZUYOAIVIX-USZNOCQGSA-N 2 0 226.389 1.551 50 0 BDAARP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[N@@H+]1C ZINC000222017386 538571565 /nfs/dbraw/zinc/57/15/65/538571565.db2.gz KSFQVCUTJFMEDY-RQJABVFESA-N 2 0 237.391 1.295 50 0 BDAARP COc1ccc(C[NH2+]CC(C)(C)C[NH3+])cc1 ZINC000258690125 538793429 /nfs/dbraw/zinc/79/34/29/538793429.db2.gz FTRDTJMYLLPQDI-UHFFFAOYSA-N 2 0 222.332 1.770 50 0 BDAARP COc1cccc(C[NH2+]CC(C)(C)C[NH3+])c1 ZINC000258844355 538798476 /nfs/dbraw/zinc/79/84/76/538798476.db2.gz WRDDSDTWGIRGGA-UHFFFAOYSA-N 2 0 222.332 1.770 50 0 BDAARP [NH3+]C1CC[NH+](C2CCSCC2)CC1 ZINC000040457230 181343267 /nfs/dbraw/zinc/34/32/67/181343267.db2.gz LJDBWJGRQUBZBU-UHFFFAOYSA-N 2 0 200.351 1.305 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000044512257 181365003 /nfs/dbraw/zinc/36/50/03/181365003.db2.gz MIMRFDKIQTWRLE-UHFFFAOYSA-N 2 0 246.354 1.792 50 0 BDAARP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C[N@@H+]1C ZINC000252120089 541445252 /nfs/dbraw/zinc/44/52/52/541445252.db2.gz KSFQVCUTJFMEDY-RFGFWPKPSA-N 2 0 237.391 1.295 50 0 BDAARP [NH3+]CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000032919739 181380230 /nfs/dbraw/zinc/38/02/30/181380230.db2.gz JULHFSWCDLKJNE-UHFFFAOYSA-N 2 0 225.380 1.286 50 0 BDAARP OC[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000125248675 183117723 /nfs/dbraw/zinc/11/77/23/183117723.db2.gz UYDBXBKOFUFCJW-QWHCGFSZSA-N 2 0 237.347 1.414 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000002527316 383970601 /nfs/dbraw/zinc/97/06/01/383970601.db2.gz ZLFPWTIKFBLPGM-AWEZNQCLSA-N 2 0 216.328 1.872 50 0 BDAARP [NH3+]Cc1c(F)c(F)c(C[NH3+])c(F)c1F ZINC000005132060 384100673 /nfs/dbraw/zinc/10/06/73/384100673.db2.gz SLOZZSUAGFSGIC-UHFFFAOYSA-N 2 0 208.158 1.160 50 0 BDAARP [NH3+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000022178555 384744185 /nfs/dbraw/zinc/74/41/85/384744185.db2.gz JTGIUXXVEATROB-UHFFFAOYSA-N 2 0 220.316 1.102 50 0 BDAARP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000022913543 384779911 /nfs/dbraw/zinc/77/99/11/384779911.db2.gz KFLLDKIXAMGZLH-AWEZNQCLSA-N 2 0 233.359 1.195 50 0 BDAARP CN1CCC([NH2+]CC2(Cn3ccnc3)CC2)CC1 ZINC000065455729 385312953 /nfs/dbraw/zinc/31/29/53/385312953.db2.gz YQAMDCZZIHKOAV-UHFFFAOYSA-N 2 0 248.374 1.347 50 0 BDAARP CCc1nccn1Cc1nccc(OC)c1OC ZINC000188671982 172028099 /nfs/dbraw/zinc/02/80/99/172028099.db2.gz MJDUPLSTZLVPGC-UHFFFAOYSA-N 2 0 247.298 1.906 50 0 BDAARP C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000012370628 173389191 /nfs/dbraw/zinc/38/91/91/173389191.db2.gz LFLFEMOINFHORX-UHFFFAOYSA-N 2 0 222.332 1.737 50 0 BDAARP C[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C[C@H]1C ZINC000239475416 524700959 /nfs/dbraw/zinc/70/09/59/524700959.db2.gz AOCAKCXXIXRELJ-MQYQWHSLSA-N 2 0 242.407 1.713 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]CCC[C@H]1C[NH3+] ZINC000757212120 586438996 /nfs/dbraw/zinc/43/89/96/586438996.db2.gz LZUFYKYGKBUOOE-IINYFYTJSA-N 2 0 244.342 1.871 50 0 BDAARP C[NH+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023581232 632963319 /nfs/dbraw/zinc/96/33/19/632963319.db2.gz GNMKUYSUHLCQMX-KGLIPLIRSA-N 2 0 246.354 1.285 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H](C[NH3+])C[NH2+]1 ZINC000757211101 643371524 /nfs/dbraw/zinc/37/15/24/643371524.db2.gz JDHDSVVUIAAFRE-MFKMUULPSA-N 2 0 244.342 1.871 50 0 BDAARP CC(C)(C)[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527549 644805094 /nfs/dbraw/zinc/80/50/94/644805094.db2.gz CIZWKUFMCGCDEL-SMRSKGNSSA-N 2 0 212.337 1.005 50 0 BDAARP CC(C)[C@@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958528497 644805107 /nfs/dbraw/zinc/80/51/07/644805107.db2.gz OYAGVKOBFLZHAV-SNVBAGLBSA-N 2 0 228.380 1.641 50 0 BDAARP C[C@@H]1CCC[N@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000521396911 259303965 /nfs/dbraw/zinc/30/39/65/259303965.db2.gz CWBHGGLGUBHORA-GFCCVEGCSA-N 2 0 238.379 1.047 50 0 BDAARP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000004202943 342743865 /nfs/dbraw/zinc/74/38/65/342743865.db2.gz AWOBBFYDHSJOIL-CYBMUJFWSA-N 2 0 204.317 2.000 50 0 BDAARP C[N@@H+]1CCC[C@H](CCNc2ccncc2F)C1 ZINC000584903784 342736589 /nfs/dbraw/zinc/73/65/89/342736589.db2.gz PGYRDOPXIPCBDY-LLVKDONJSA-N 2 0 237.322 1.786 50 0 BDAARP [NH3+][C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000020457115 342985673 /nfs/dbraw/zinc/98/56/73/342985673.db2.gz MOFLDIVZDXWOLI-LLVKDONJSA-N 2 0 206.289 1.315 50 0 BDAARP C[N@H+](CC1CC[NH2+]CC1)CC1CCOCC1 ZINC000042783267 343453026 /nfs/dbraw/zinc/45/30/26/343453026.db2.gz CMMQCQDIOHGHBP-UHFFFAOYSA-N 2 0 226.364 1.344 50 0 BDAARP CCc1nc(C)sc1CN[C@H]1CCC[NH2+]C1 ZINC000067723492 343902119 /nfs/dbraw/zinc/90/21/19/343902119.db2.gz XXLFVRQZSQBJJY-JTQLQIEISA-N 2 0 239.388 1.856 50 0 BDAARP Cc1cccc(C[NH+]2CCN(CCC[NH3+])CC2)c1 ZINC000019933701 179077026 /nfs/dbraw/zinc/07/70/26/179077026.db2.gz INPVFVRBUPWYFX-UHFFFAOYSA-N 2 0 247.386 1.461 50 0 BDAARP Cc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000051576735 179080853 /nfs/dbraw/zinc/08/08/53/179080853.db2.gz AXRWQPDGOZGYOY-LLVKDONJSA-N 2 0 205.305 1.171 50 0 BDAARP C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000105052854 346617618 /nfs/dbraw/zinc/61/76/18/346617618.db2.gz DTSIKRKXTOMFRO-UHFFFAOYSA-N 2 0 216.328 1.753 50 0 BDAARP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000012357868 180337776 /nfs/dbraw/zinc/33/77/76/180337776.db2.gz ARAUOPYWNGVLJW-GFCCVEGCSA-N 2 0 236.363 1.208 50 0 BDAARP NC(=[NH2+])NC(=[NH2+])Nc1cccc(C(F)(F)F)c1 ZINC000000061081 181187558 /nfs/dbraw/zinc/18/75/58/181187558.db2.gz VAVLIBZGJFBQLY-UHFFFAOYSA-N 2 0 245.208 1.535 50 0 BDAARP [NH3+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000037662696 181344947 /nfs/dbraw/zinc/34/49/47/181344947.db2.gz YGMSGHHKUDNZRE-UHFFFAOYSA-N 2 0 205.305 1.047 50 0 BDAARP CC(C)C[C@@H](C)[N@H+](C)C[C@H](O)CN1CCCC1 ZINC000048366628 541381473 /nfs/dbraw/zinc/38/14/73/541381473.db2.gz DETCWKVGBDEISD-KGLIPLIRSA-N 2 0 242.407 1.810 50 0 BDAARP CC[NH+]1CCC(CC[NH2+][C@@H](C)COC)CC1 ZINC000095968587 371362936 /nfs/dbraw/zinc/36/29/36/371362936.db2.gz PNAPWKSLQHAHMN-LBPRGKRZSA-N 2 0 228.380 1.733 50 0 BDAARP O[C@H](C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000038040844 183222501 /nfs/dbraw/zinc/22/25/01/183222501.db2.gz NRYHIIHGRRHTMH-CYBMUJFWSA-N 2 0 220.316 1.062 50 0 BDAARP c1c[n+]2cn1CCCC[n+]1ccn(c1)CCCC2 ZINC000036390457 183324076 /nfs/dbraw/zinc/32/40/76/183324076.db2.gz WHDGLTRYMKOOHM-UHFFFAOYSA-N 2 0 246.358 1.139 50 0 BDAARP c1ccc(C[NH+]2CCC3(C[NH2+]C3)CC2)cc1 ZINC000038530190 183396113 /nfs/dbraw/zinc/39/61/13/183396113.db2.gz SSKGDQBPVMFYNR-UHFFFAOYSA-N 2 0 216.328 1.872 50 0 BDAARP [NH3+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000002884189 383991146 /nfs/dbraw/zinc/99/11/46/383991146.db2.gz FJHBXXSVOVHAEM-CYBMUJFWSA-N 2 0 204.317 1.510 50 0 BDAARP CN(CCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000067805962 383950358 /nfs/dbraw/zinc/95/03/58/383950358.db2.gz DAKLEDMVKDJWOA-AWEZNQCLSA-N 2 0 239.407 1.546 50 0 BDAARP [NH3+]C[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000100597200 384647896 /nfs/dbraw/zinc/64/78/96/384647896.db2.gz UNLBCCJUBAVNHR-XYYAHUGASA-N 2 0 202.301 1.323 50 0 BDAARP FC1(F)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000258956270 384714051 /nfs/dbraw/zinc/71/40/51/384714051.db2.gz SPLMXCQULNQHBW-UHFFFAOYSA-N 2 0 218.291 1.717 50 0 BDAARP C[N@H+](CCCO)CC[C@H]1CCCC[NH+]1C ZINC000075860833 388359249 /nfs/dbraw/zinc/35/92/49/388359249.db2.gz FNWPFJJPJDEITL-GFCCVEGCSA-N 2 0 214.353 1.175 50 0 BDAARP C[NH2+][C@@H](CN1CCCC1)C1CC[NH+](C)CC1 ZINC000022927813 173423589 /nfs/dbraw/zinc/42/35/89/173423589.db2.gz KPNNICFJNNQFMX-ZDUSSCGKSA-N 2 0 225.380 1.012 50 0 BDAARP C[C@H]1C[NH+](Cc2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000020283797 177262010 /nfs/dbraw/zinc/26/20/10/177262010.db2.gz PJSHESVXOXQVEU-RYUDHWBXSA-N 2 0 234.343 1.755 50 0 BDAARP FC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000257840240 631271053 /nfs/dbraw/zinc/27/10/53/631271053.db2.gz BMMXNDGACVRCBK-UHFFFAOYSA-N 2 0 200.301 1.420 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]CC[C@@H]1[NH3+] ZINC000757212103 643370003 /nfs/dbraw/zinc/37/00/03/643370003.db2.gz LPVODKCTTXHODT-KOLCDFICSA-N 2 0 230.315 1.276 50 0 BDAARP CC(C)C[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527896 644804950 /nfs/dbraw/zinc/80/49/50/644804950.db2.gz IIVBGYMKLYLIOH-PSIUFMSWSA-N 2 0 212.337 1.005 50 0 BDAARP CCC(CC)[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528256 644805757 /nfs/dbraw/zinc/80/57/57/644805757.db2.gz PHNBYBSNDZJDNE-DAAZQVBGSA-N 2 0 226.364 1.395 50 0 BDAARP CC(C)C[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958527879 644806692 /nfs/dbraw/zinc/80/66/92/644806692.db2.gz ICRKUKFRIRXZEL-FXJUQPSGSA-N 2 0 226.364 1.348 50 0 BDAARP Nc1cc[nH+]cc1-c1ccc2c(c1)CC[C@H]([NH3+])C2 ZINC000952849819 974052435 /nfs/dbraw/zinc/05/24/35/974052435.db2.gz RUJQNCXQYLEITO-ZDUSSCGKSA-N 2 0 239.322 1.977 50 0 BDAARP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccsc1 ZINC000170606798 136215877 /nfs/dbraw/zinc/21/58/77/136215877.db2.gz UPVZBAMPVJVESX-NSHDSACASA-N 2 0 242.388 1.977 50 0 BDAARP C[N@@H+]1CCC[C@@H]1CCNC1CC[NH+](C)CC1 ZINC000000182771 343268942 /nfs/dbraw/zinc/26/89/42/343268942.db2.gz RGWCSHVMKHVOCE-CYBMUJFWSA-N 2 0 225.380 1.155 50 0 BDAARP C(OC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000072233182 344518716 /nfs/dbraw/zinc/51/87/16/344518716.db2.gz YROWJYRDJMZVJW-RYUDHWBXSA-N 2 0 212.337 1.002 50 0 BDAARP Cc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000054956872 179275611 /nfs/dbraw/zinc/27/56/11/179275611.db2.gz UPZHRTDWMNFMBY-GFCCVEGCSA-N 2 0 204.317 1.776 50 0 BDAARP CC[NH+]1CCC(NCc2c[nH]nc2C)CC1 ZINC000038011102 350296452 /nfs/dbraw/zinc/29/64/52/350296452.db2.gz JSAOUXXYRHFEKO-UHFFFAOYSA-N 2 0 222.336 1.292 50 0 BDAARP NC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058366275 181189072 /nfs/dbraw/zinc/18/90/72/181189072.db2.gz TZZNVHODCXROLL-CYBMUJFWSA-N 2 0 246.358 1.382 50 0 BDAARP Cc1cc(NCC[NH+](C)C)c2ccccc2[nH+]1 ZINC000006043951 355671045 /nfs/dbraw/zinc/67/10/45/355671045.db2.gz XZVPWONUXVMZNE-UHFFFAOYSA-N 2 0 229.327 1.939 50 0 BDAARP [NH3+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000044514508 181365029 /nfs/dbraw/zinc/36/50/29/181365029.db2.gz BTHSEKNBSJQULS-CQSZACIVSA-N 2 0 234.343 1.391 50 0 BDAARP [NH3+]CCCC[N@@H+]1CCc2ccccc2C1 ZINC000004226761 181376224 /nfs/dbraw/zinc/37/62/24/181376224.db2.gz HFKUDRCZBGENKI-UHFFFAOYSA-N 2 0 204.317 1.784 50 0 BDAARP [NH3+]CCCP(CCC[NH3+])c1ccccc1 ZINC000002560534 181384977 /nfs/dbraw/zinc/38/49/77/181384977.db2.gz OEHBMEXOPYWPKQ-UHFFFAOYSA-N 2 0 224.288 1.491 50 0 BDAARP c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000016082803 368371258 /nfs/dbraw/zinc/37/12/58/368371258.db2.gz VZMAYQMDXZLZFZ-KBPBESRZSA-N 2 0 216.328 1.728 50 0 BDAARP OCC[NH+]1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000069628085 183073087 /nfs/dbraw/zinc/07/30/87/183073087.db2.gz CLOMUFKGWJLSHB-UHFFFAOYSA-N 2 0 240.391 1.471 50 0 BDAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000000757063 169186544 /nfs/dbraw/zinc/18/65/44/169186544.db2.gz ASWQIEUYVSQWRV-CYBMUJFWSA-N 2 0 240.391 1.565 50 0 BDAARP CCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000036304486 169188819 /nfs/dbraw/zinc/18/88/19/169188819.db2.gz NJASMUKSXIOMRS-UHFFFAOYSA-N 2 0 226.364 1.629 50 0 BDAARP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000036128422 383882096 /nfs/dbraw/zinc/88/20/96/383882096.db2.gz HRXNASKZMPBQGA-ZDUSSCGKSA-N 2 0 220.316 1.102 50 0 BDAARP COC[C@@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067726556 383939152 /nfs/dbraw/zinc/93/91/52/383939152.db2.gz DOGCZUJGQWUXKW-GFCCVEGCSA-N 2 0 240.391 1.923 50 0 BDAARP CN(C)C1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000019429930 384522646 /nfs/dbraw/zinc/52/26/46/384522646.db2.gz AHFISPYDKVATDB-UHFFFAOYSA-N 2 0 247.386 1.542 50 0 BDAARP COC[C@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000065409248 385306429 /nfs/dbraw/zinc/30/64/29/385306429.db2.gz JCQZMBCLNHAARG-NSHDSACASA-N 2 0 223.320 1.426 50 0 BDAARP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000113207409 387115760 /nfs/dbraw/zinc/11/57/60/387115760.db2.gz HQUPZMSWMPHMLE-LLVKDONJSA-N 2 0 234.343 1.951 50 0 BDAARP c1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000006062646 132317903 /nfs/dbraw/zinc/31/79/03/132317903.db2.gz CGSWRHKBLLDUHO-UHFFFAOYSA-N 2 0 213.284 1.644 50 0 BDAARP [NH3+]C1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000261530800 135159418 /nfs/dbraw/zinc/15/94/18/135159418.db2.gz DDFFXELIGCMQLN-VOMCLLRMSA-N 2 0 228.405 1.989 50 0 BDAARP CCOC(=O)CC[NH2+]C[C@@H]1CCCN1CC ZINC000036667640 170209561 /nfs/dbraw/zinc/20/95/61/170209561.db2.gz ZPTCRPRYBUXBTH-NSHDSACASA-N 2 0 228.336 1.014 50 0 BDAARP C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019588445 173001227 /nfs/dbraw/zinc/00/12/27/173001227.db2.gz UCGGARLBZHETFL-UHFFFAOYSA-N 2 0 232.327 1.633 50 0 BDAARP COC1CC[NH+]([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000037266114 174030904 /nfs/dbraw/zinc/03/09/04/174030904.db2.gz MUSCNOITVGNPJL-NEPJUHHUSA-N 2 0 212.337 1.367 50 0 BDAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000026897153 176306125 /nfs/dbraw/zinc/30/61/25/176306125.db2.gz MGTFEKWKCLDVNN-YPMHNXCESA-N 2 0 204.317 1.856 50 0 BDAARP C[C@@H]1C[NH+](Cc2cccc(C[NH3+])c2)C[C@@H](C)O1 ZINC000020284079 176306583 /nfs/dbraw/zinc/30/65/83/176306583.db2.gz JCHXDLMFHVLZCH-VXGBXAGGSA-N 2 0 234.343 1.755 50 0 BDAARP CC(C)[NH2+][C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244787574 519735197 /nfs/dbraw/zinc/73/51/97/519735197.db2.gz PZOAGNQGVNNCCN-JHJVBQTASA-N 2 0 226.364 1.124 50 0 BDAARP C[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000217647617 536344169 /nfs/dbraw/zinc/34/41/69/536344169.db2.gz KIFNVBDWODOUAK-KGLIPLIRSA-N 2 0 237.391 1.297 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CC[C@H](C)[C@@H]1N ZINC000757215165 586440277 /nfs/dbraw/zinc/44/02/77/586440277.db2.gz VCEHOPBFEHPPBR-HERUPUMHSA-N 2 0 244.342 1.869 50 0 BDAARP CCC[C@@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958528352 635551773 /nfs/dbraw/zinc/55/17/73/635551773.db2.gz NLIGFGPXUGUTPM-SNVBAGLBSA-N 2 0 228.380 1.786 50 0 BDAARP CC1([NH2+]C2CSCCSC2)CC[NH2+]CC1 ZINC000426396646 635699680 /nfs/dbraw/zinc/69/96/80/635699680.db2.gz RAZGLXOCYNDLGC-UHFFFAOYSA-N 2 0 246.445 1.567 50 0 BDAARP [NH3+][C@H](C1CCCCC1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528571 644808211 /nfs/dbraw/zinc/80/82/11/644808211.db2.gz VIARUCQDEYOYPI-RBKKPWLPSA-N 2 0 238.375 1.540 50 0 BDAARP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000020179795 342974752 /nfs/dbraw/zinc/97/47/52/342974752.db2.gz AQKKSXVAGSAHBT-UHFFFAOYSA-N 2 0 233.359 1.024 50 0 BDAARP CC[NH+](CC)CCOC1CC[NH2+]CC1 ZINC000037390662 343344732 /nfs/dbraw/zinc/34/47/32/343344732.db2.gz OBHXQFOWPLVAAY-UHFFFAOYSA-N 2 0 200.326 1.097 50 0 BDAARP C[N@@H+]1[C@H](c2ccccc2)[C@@H](C[NH3+])C[C@]1(C)CO ZINC000101006171 343400007 /nfs/dbraw/zinc/40/00/07/343400007.db2.gz KPPJHGVBDBRRCV-MGPQQGTHSA-N 2 0 234.343 1.389 50 0 BDAARP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000042783388 343453084 /nfs/dbraw/zinc/45/30/84/343453084.db2.gz BABQSLBBCKVSAV-CYBMUJFWSA-N 2 0 240.391 1.735 50 0 BDAARP Cc1c[nH+]c(C2CCOCC2)n1CC[NH3+] ZINC000169793059 361130612 /nfs/dbraw/zinc/13/06/12/361130612.db2.gz IGEVZBYHMIWDCJ-UHFFFAOYSA-N 2 0 209.293 1.044 50 0 BDAARP CCC[NH+](CCC)CCCN1CC[NH2+]CC1 ZINC000022028942 169147695 /nfs/dbraw/zinc/14/76/95/169147695.db2.gz INURTONYJXVENS-UHFFFAOYSA-N 2 0 227.396 1.404 50 0 BDAARP C[NH+](C)C[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000012955308 384343549 /nfs/dbraw/zinc/34/35/49/384343549.db2.gz BACUERBVBVPLKR-LBPRGKRZSA-N 2 0 225.380 1.012 50 0 BDAARP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000019850779 384546182 /nfs/dbraw/zinc/54/61/82/384546182.db2.gz KFLLDKIXAMGZLH-CQSZACIVSA-N 2 0 233.359 1.195 50 0 BDAARP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000096492060 385230612 /nfs/dbraw/zinc/23/06/12/385230612.db2.gz MTVSZIOPBPOQPB-GXTWGEPZSA-N 2 0 240.391 1.875 50 0 BDAARP CC[NH+](CC)[C@@H](CNC(N)=[NH2+])Cc1ccccc1 ZINC000069774996 388426524 /nfs/dbraw/zinc/42/65/24/388426524.db2.gz OYPXGWZRVUSCCH-CYBMUJFWSA-N 2 0 248.374 1.423 50 0 BDAARP CC(C)COCC[NH2+][C@H]1CCN(C2CC2)C1 ZINC000095421091 388769280 /nfs/dbraw/zinc/76/92/80/388769280.db2.gz VQLMPGCPYJDUGT-LBPRGKRZSA-N 2 0 226.364 1.485 50 0 BDAARP Cc1cc(N2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000000084212 132312507 /nfs/dbraw/zinc/31/25/07/132312507.db2.gz XYBLCORUTWKJOI-UHFFFAOYSA-N 2 0 227.311 1.953 50 0 BDAARP Cc1cccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1 ZINC000017025533 132323868 /nfs/dbraw/zinc/32/38/68/132323868.db2.gz VODVTOKGXQMTDK-UHFFFAOYSA-N 2 0 231.303 1.181 50 0 BDAARP CC(C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000071897047 167095067 /nfs/dbraw/zinc/09/50/67/167095067.db2.gz ITJNATCVQSBGEP-UHFFFAOYSA-N 2 0 214.353 1.220 50 0 BDAARP CCOCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000169616687 170375252 /nfs/dbraw/zinc/37/52/52/170375252.db2.gz AMSJCLFYWQBSTK-WDEREUQCSA-N 2 0 200.326 1.082 50 0 BDAARP C[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000019796083 173094988 /nfs/dbraw/zinc/09/49/88/173094988.db2.gz SGZLJAMRWOGKGC-CYBMUJFWSA-N 2 0 237.322 1.073 50 0 BDAARP C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000012370453 173390369 /nfs/dbraw/zinc/39/03/69/173390369.db2.gz WHBYXCTXAOHVPI-UHFFFAOYSA-N 2 0 208.305 1.346 50 0 BDAARP COCC[N@H+](C)CC[C@@H]([NH3+])c1ccccc1 ZINC000042460290 174279345 /nfs/dbraw/zinc/27/93/45/174279345.db2.gz KKNYJWAJPJRWHC-CYBMUJFWSA-N 2 0 222.332 1.655 50 0 BDAARP C[C@@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000020284083 177265128 /nfs/dbraw/zinc/26/51/28/177265128.db2.gz JCHXDLMFHVLZCH-TXEJJXNPSA-N 2 0 234.343 1.755 50 0 BDAARP C[C@@]1(O)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103384 491125069 /nfs/dbraw/zinc/12/50/69/491125069.db2.gz FSAPCSSFMAFRRS-CQSZACIVSA-N 2 0 240.391 1.709 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@H]1C[C@@H](C[NH3+])CC[NH2+]1 ZINC000757215146 582560749 /nfs/dbraw/zinc/56/07/49/582560749.db2.gz VAYZECGCXGPINQ-GXFFZTMASA-N 2 0 244.342 1.871 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1[NH2+]CCC[C@@H]1C[NH3+] ZINC000757212123 586438781 /nfs/dbraw/zinc/43/87/81/586438781.db2.gz LZUFYKYGKBUOOE-YGRLFVJLSA-N 2 0 244.342 1.871 50 0 BDAARP CC[C@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958527857 635552179 /nfs/dbraw/zinc/55/21/79/635552179.db2.gz GQPHPFDKRKGWNN-VIFPVBQESA-N 2 0 214.353 1.395 50 0 BDAARP [NH3+][C@H](c1ccsc1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527740 644806444 /nfs/dbraw/zinc/80/64/44/644806444.db2.gz GBFYBHWBLFTBRC-FBTJUVTCSA-N 2 0 238.356 1.393 50 0 BDAARP C[N@@H+]1CCC2(C1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC000823769797 968560636 /nfs/dbraw/zinc/56/06/36/968560636.db2.gz BTPMLHFEDNZODW-CYBMUJFWSA-N 2 0 238.375 1.583 50 0 BDAARP C[NH+]1CCC(Oc2ccccc2C[NH3+])CC1 ZINC000014001500 342875554 /nfs/dbraw/zinc/87/55/54/342875554.db2.gz KVYUTSVSMUBLEG-UHFFFAOYSA-N 2 0 220.316 1.618 50 0 BDAARP C[N@H+](CC[C@@H]1CCCC[NH2+]1)CC1CCOCC1 ZINC000042783341 343452819 /nfs/dbraw/zinc/45/28/19/343452819.db2.gz GHWRNNMNOVUCDF-AWEZNQCLSA-N 2 0 240.391 1.877 50 0 BDAARP Cc1nccn1CCC[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000252505397 180240629 /nfs/dbraw/zinc/24/06/29/180240629.db2.gz VQSMQUIPMDXRGO-WDNDVIMCSA-N 2 0 248.374 1.251 50 0 BDAARP NC(=[NH2+])NC(=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000000088731 181187948 /nfs/dbraw/zinc/18/79/48/181187948.db2.gz WEVBBIBQCXPDKL-UHFFFAOYSA-N 2 0 229.646 1.309 50 0 BDAARP [NH3+]CC1CC[NH+](Cc2ccsc2)CC1 ZINC000036866962 181365243 /nfs/dbraw/zinc/36/52/43/181365243.db2.gz OZYFSDHOPWMWMA-UHFFFAOYSA-N 2 0 210.346 1.919 50 0 BDAARP Cc1c[nH]c(CN(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000584885820 369034492 /nfs/dbraw/zinc/03/44/92/369034492.db2.gz LOTZLNLAMJLXFM-NSHDSACASA-N 2 0 222.336 1.244 50 0 BDAARP CCC[NH+]1CCC([NH2+][C@H](C)COC)CC1 ZINC000003683481 169189138 /nfs/dbraw/zinc/18/91/38/169189138.db2.gz NSXIIDDYXDGIDB-LLVKDONJSA-N 2 0 214.353 1.485 50 0 BDAARP c1cc2c(cc1C[NH+]1CCCC1)C[NH2+]CCO2 ZINC000169676637 183367672 /nfs/dbraw/zinc/36/76/72/183367672.db2.gz AHIYQHNKUUPEGU-UHFFFAOYSA-N 2 0 232.327 1.764 50 0 BDAARP c1cc[n+](CCCC[n+]2ccccc2)cc1 ZINC000001634282 183378516 /nfs/dbraw/zinc/37/85/16/183378516.db2.gz MAEVORUJDMVVKA-UHFFFAOYSA-N 2 0 214.312 1.742 50 0 BDAARP c1cncc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000071751482 383899555 /nfs/dbraw/zinc/89/95/55/383899555.db2.gz XVKLBIHHYYUJMV-OAHLLOKOSA-N 2 0 245.370 1.903 50 0 BDAARP C[NH2+][C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815240 384302967 /nfs/dbraw/zinc/30/29/67/384302967.db2.gz SQXROZHTTFVFOL-KBPBESRZSA-N 2 0 239.407 1.543 50 0 BDAARP CC1(C)CC(NCc2ncc[nH]2)CC(C)(C)[NH2+]1 ZINC000049714709 387004688 /nfs/dbraw/zinc/00/46/88/387004688.db2.gz NOXDMJFZUKIYIF-UHFFFAOYSA-N 2 0 236.363 1.809 50 0 BDAARP [NH3+]C[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC000084085843 135182839 /nfs/dbraw/zinc/18/28/39/135182839.db2.gz XTIBMGMFXHFUOX-VIFPVBQESA-N 2 0 225.723 1.516 50 0 BDAARP COCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000263584732 135360775 /nfs/dbraw/zinc/36/07/75/135360775.db2.gz XSABJTJKXWEJGZ-QWHCGFSZSA-N 2 0 226.364 1.487 50 0 biogenic BDAARP C[NH+]1CCC2(CC1)C[C@H]1C[C@H]3C=C[C@]1(C[NH2+]2)O3 ZINC000003905451 173001964 /nfs/dbraw/zinc/00/19/64/173001964.db2.gz IOXUZCGQDWCBPF-YRGRVCCFSA-N 2 0 234.343 1.158 50 0 biogenic BDAARP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000049708371 177327108 /nfs/dbraw/zinc/32/71/08/177327108.db2.gz ZXRSAZKEWVLRNS-AAEUAGOBSA-N 2 0 204.317 1.998 50 0 BDAARP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000082164329 177361343 /nfs/dbraw/zinc/36/13/43/177361343.db2.gz BIDKDUYMXXPICF-WCQYABFASA-N 2 0 204.317 1.856 50 0 BDAARP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000049708368 177364962 /nfs/dbraw/zinc/36/49/62/177364962.db2.gz ZXRSAZKEWVLRNS-WCQYABFASA-N 2 0 204.317 1.998 50 0 BDAARP CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000245204230 522227313 /nfs/dbraw/zinc/22/73/13/522227313.db2.gz DIQREXVGAWIWBR-WRWGMCAJSA-N 2 0 214.353 1.076 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H](C[NH3+])C[NH2+]1 ZINC000757210016 586438230 /nfs/dbraw/zinc/43/82/30/586438230.db2.gz HCLMNDGTICJDNW-GXFFZTMASA-N 2 0 244.342 1.871 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H](C[NH3+])C[NH2+]1 ZINC000757210012 586438562 /nfs/dbraw/zinc/43/85/62/586438562.db2.gz HCLMNDGTICJDNW-GWCFXTLKSA-N 2 0 244.342 1.871 50 0 BDAARP [NH3+][C@@H](c1ccsc1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958527741 644805678 /nfs/dbraw/zinc/80/56/78/644805678.db2.gz GBFYBHWBLFTBRC-PSIUFMSWSA-N 2 0 238.356 1.393 50 0 BDAARP C/C=C(\C)C[NH2+]C[C@@H]1CC[N@@H+](CCOC)C1 ZINC000952868051 974064886 /nfs/dbraw/zinc/06/48/86/974064886.db2.gz ASBFPNYXOQAOQI-VFJIKVCNSA-N 2 0 226.364 1.511 50 0 BDAARP Cc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000065585863 178114321 /nfs/dbraw/zinc/11/43/21/178114321.db2.gz WBSJEIDOZZTLER-LLVKDONJSA-N 2 0 247.346 1.042 50 0 BDAARP CCOc1cccc(OCCNCC[NH3+])c1 ZINC000020118184 342969796 /nfs/dbraw/zinc/96/97/96/342969796.db2.gz KIHOVXJCBOPRKV-UHFFFAOYSA-N 2 0 224.304 1.012 50 0 BDAARP C(CN1CCCCC1)[NH2+][C@@H]1CCSC1 ZINC000022455866 343049331 /nfs/dbraw/zinc/04/93/31/343049331.db2.gz SFTWTHVKSGANSI-LLVKDONJSA-N 2 0 214.378 1.567 50 0 BDAARP Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000054956874 179275085 /nfs/dbraw/zinc/27/50/85/179275085.db2.gz UPZHRTDWMNFMBY-LBPRGKRZSA-N 2 0 204.317 1.776 50 0 BDAARP CSc1cccc(NC(=[NH2+])NC(N)=[NH2+])c1 ZINC000001017821 350979346 /nfs/dbraw/zinc/97/93/46/350979346.db2.gz FCGNLCQMAKNXIW-UHFFFAOYSA-N 2 0 223.305 1.238 50 0 BDAARP C[NH+]1CCC(C)(C[NH2+]Cc2ccns2)CC1 ZINC000404412388 363060196 /nfs/dbraw/zinc/06/01/96/363060196.db2.gz AHTVODFRYHPDIP-UHFFFAOYSA-N 2 0 239.388 1.965 50 0 BDAARP NC(=[NH2+])NCCN1CC=C(c2ccccc2)CC1 ZINC000095918178 181189762 /nfs/dbraw/zinc/18/97/62/181189762.db2.gz GIKUKJBRNBUFKT-UHFFFAOYSA-N 2 0 244.342 1.259 50 0 BDAARP NC(=[NH2+])c1cccc(C[NH+]2CCCCC2)c1 ZINC000019488551 181195886 /nfs/dbraw/zinc/19/58/86/181195886.db2.gz SSYQUUOYPACNDI-UHFFFAOYSA-N 2 0 217.316 1.957 50 0 BDAARP [NH3+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000002524911 181343738 /nfs/dbraw/zinc/34/37/38/181343738.db2.gz BCEKLYJIVXGPLQ-UHFFFAOYSA-N 2 0 204.317 1.652 50 0 BDAARP [NH3+]CC1(N2CCSCC2)CCCCC1 ZINC000020257119 181359894 /nfs/dbraw/zinc/35/98/94/181359894.db2.gz XDIJCJULDXMESE-UHFFFAOYSA-N 2 0 214.378 1.697 50 0 BDAARP CCC[NH+]1CCC(N2CC[NH+](CC)CC2)CC1 ZINC000019636231 169187348 /nfs/dbraw/zinc/18/73/48/169187348.db2.gz DJOCWAYXOYSVMJ-UHFFFAOYSA-N 2 0 239.407 1.498 50 0 BDAARP c1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)cc1 ZINC000038530197 183397262 /nfs/dbraw/zinc/39/72/62/183397262.db2.gz JMPAPQYBLUHNQT-UHFFFAOYSA-N 2 0 216.328 1.872 50 0 BDAARP c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000004203957 384045019 /nfs/dbraw/zinc/04/50/19/384045019.db2.gz VZMAYQMDXZLZFZ-ZIAGYGMSSA-N 2 0 216.328 1.728 50 0 BDAARP CC[C@@H]([NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000075772308 384337348 /nfs/dbraw/zinc/33/73/48/384337348.db2.gz GRAAOXUBCOHRGS-ZIAGYGMSSA-N 2 0 234.343 1.625 50 0 BDAARP CN(Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000020072509 384571805 /nfs/dbraw/zinc/57/18/05/384571805.db2.gz MIFUGVARDDDKRU-CYBMUJFWSA-N 2 0 204.317 1.870 50 0 BDAARP [NH3+][C@@H]1[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100645543 384649796 /nfs/dbraw/zinc/64/97/96/384649796.db2.gz PZBJODSAGVQRDZ-CLLJXQQHSA-N 2 0 202.301 1.466 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000082972338 384731892 /nfs/dbraw/zinc/73/18/92/384731892.db2.gz DUZSGEYBDJCPRP-ZIAGYGMSSA-N 2 0 216.328 1.728 50 0 BDAARP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000026896629 384886041 /nfs/dbraw/zinc/88/60/41/384886041.db2.gz ZLFPWTIKFBLPGM-CQSZACIVSA-N 2 0 216.328 1.872 50 0 BDAARP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000096492058 385229898 /nfs/dbraw/zinc/22/98/98/385229898.db2.gz MTVSZIOPBPOQPB-JSGCOSHPSA-N 2 0 240.391 1.875 50 0 BDAARP C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000034502430 385284043 /nfs/dbraw/zinc/28/40/43/385284043.db2.gz OWDUMFUCVYNNMN-CYBMUJFWSA-N 2 0 204.317 1.728 50 0 BDAARP Cc1cccc(N2CC[N@H+](CCC[NH3+])[C@H](C)C2)c1 ZINC000045796296 132355026 /nfs/dbraw/zinc/35/50/26/132355026.db2.gz ZZPCTTOUYAGCKS-CQSZACIVSA-N 2 0 247.386 1.854 50 0 BDAARP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000004312829 170258491 /nfs/dbraw/zinc/25/84/91/170258491.db2.gz NCCMYMPJFQWVCO-LLVKDONJSA-N 2 0 240.347 1.014 50 0 in-vitro BDAARP CN(Cc1cncs1)C[C@@H]1CC[N@H+](C)C1 ZINC000121006320 173111868 /nfs/dbraw/zinc/11/18/68/173111868.db2.gz OFLNOLQYBKDGKM-SNVBAGLBSA-N 2 0 225.361 1.527 50 0 BDAARP Cn1c2c(c3c1CC[N@@H+](C)C3)C[NH+](C)CC2 ZINC000000488738 173169375 /nfs/dbraw/zinc/16/93/75/173169375.db2.gz IFSHPVVQGNXQAD-UHFFFAOYSA-N 2 0 219.332 1.001 50 0 biogenic BDAARP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000039348980 173196762 /nfs/dbraw/zinc/19/67/62/173196762.db2.gz TWPUPYDZIUZHII-OKILXGFUSA-N 2 0 216.328 1.680 50 0 BDAARP C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000019669819 173337769 /nfs/dbraw/zinc/33/77/69/173337769.db2.gz QXXZHEYBDRVIDH-UHFFFAOYSA-N 2 0 234.343 1.233 50 0 BDAARP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1 ZINC000057364361 173350121 /nfs/dbraw/zinc/35/01/21/173350121.db2.gz LXABMBWVZYXTNU-UHFFFAOYSA-N 2 0 208.305 1.394 50 0 BDAARP COc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000011889016 175256715 /nfs/dbraw/zinc/25/67/15/175256715.db2.gz KPHVUQOITVRPOE-UHFFFAOYSA-N 2 0 234.343 1.866 50 0 BDAARP COc1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000002577928 537019906 /nfs/dbraw/zinc/01/99/06/537019906.db2.gz UROPJUHDMCQLHY-UHFFFAOYSA-N 2 0 243.310 1.653 50 0 BDAARP Cc1cc2c[nH]nc2cc1[C@H]1C[C@@H](C[NH3+])CC[NH2+]1 ZINC000757213035 586439431 /nfs/dbraw/zinc/43/94/31/586439431.db2.gz NISONDBJJCLGMX-IINYFYTJSA-N 2 0 244.342 1.871 50 0 BDAARP Cc1ccc2n[nH]cc2c1[C@@H]1C[NH2+]C[C@H]([NH3+])C1 ZINC000757213664 586439816 /nfs/dbraw/zinc/43/98/16/586439816.db2.gz QMJLECHKIBNFFM-VHSXEESVSA-N 2 0 230.315 1.276 50 0 BDAARP CCC[C@H]([NH3+])C1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000958528346 635551857 /nfs/dbraw/zinc/55/18/57/635551857.db2.gz NLIGFGPXUGUTPM-JTQLQIEISA-N 2 0 228.380 1.786 50 0 BDAARP CCC(CC)[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958528259 644806679 /nfs/dbraw/zinc/80/66/79/644806679.db2.gz LQVIBTOOZPOZCZ-WJLOJVBCSA-N 2 0 240.391 1.738 50 0 BDAARP CCC[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000958528412 644808196 /nfs/dbraw/zinc/80/81/96/644808196.db2.gz RLDXSNIXGOIJIX-FBTJUVTCSA-N 2 0 212.337 1.102 50 0 BDAARP