smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2cc(N)cc[nH+]2)CC1 4099972 536420244 /nfs/dbraw/zinc/42/02/44/536420244.db2.gz WZODRKCBBZZALX-UHFFFAOYSA-N 2 0 192.266 0.416 50 0 in-vitro ACAARP C[NH+]1CCN(c2cc[nH+]c(N)c2)CC1 72192458 536424713 /nfs/dbraw/zinc/42/47/13/536424713.db2.gz LLYCLVPZTUNJRJ-UHFFFAOYSA-N 2 0 192.266 0.416 50 0 in-vitro ACAARP Nc1cc(CCCC[NH3+])cc[nH+]1 70636158 537864173 /nfs/dbraw/zinc/86/41/73/537864173.db2.gz SCJXZPREXWJITO-UHFFFAOYSA-N 2 0 165.240 0.945 50 0 ACAARP C[C@@H]1C[N@H+](C)CC[C@@H]1N1CC[NH2+]CC1 73653697 537866504 /nfs/dbraw/zinc/86/65/04/537866504.db2.gz YUGJABFUFIIICU-MNOVXSKESA-N 2 0 197.326 0.232 50 0 ACAARP C[C@H]1C[N@H+](C)CC[C@@H]1N1CC[NH2+]CC1 73653700 537868653 /nfs/dbraw/zinc/86/86/53/537868653.db2.gz YUGJABFUFIIICU-QWRGUYRKSA-N 2 0 197.326 0.232 50 0 ACAARP C[N@H+]1C[C@H]2C[C@@H]([NH3+])CC[C@H]2C1 76590272 537871823 /nfs/dbraw/zinc/87/18/23/537871823.db2.gz XIBWVLMVXUPBMI-YIZRAAEISA-N 2 0 154.257 0.675 50 0 ACAARP CN1CC[NH+]=C1[C@H]1CCC[NH2+]1 108264175 537962933 /nfs/dbraw/zinc/96/29/33/537962933.db2.gz WQJYQGIQGDYTFO-SSDOTTSWSA-N 2 0 153.229 0.082 50 0 ACAARP CN1CC[NH+]=C1[C@@H]1CCC[NH2+]1 108264172 537963673 /nfs/dbraw/zinc/96/36/73/537963673.db2.gz WQJYQGIQGDYTFO-ZETCQYMHSA-N 2 0 153.229 0.082 50 0 ACAARP C[C@@H]1CC[C@@H](N2CC[NH2+]CC2)C[NH2+]1 669381965 538445554 /nfs/dbraw/zinc/44/55/54/538445554.db2.gz CBFCVIAPGYQCSY-NXEZZACHSA-N 2 0 183.299 0.032 50 0 ACAARP C[C@H]1CC[C@@H](N2CC[NH2+]CC2)C[NH2+]1 669381967 538445687 /nfs/dbraw/zinc/44/56/87/538445687.db2.gz CBFCVIAPGYQCSY-VHSXEESVSA-N 2 0 183.299 0.032 50 0 ACAARP C[C@H]1C[NH2+]CCN1[C@@H]1CC[C@@H](C)[NH2+]C1 669382553 538446502 /nfs/dbraw/zinc/44/65/02/538446502.db2.gz MLRJTDRUKLKNPO-OUAUKWLOSA-N 2 0 197.326 0.421 50 0 ACAARP C[C@H]1CC[C@H](N2CC[NH2+]CC2)C[NH2+]1 669381966 538445792 /nfs/dbraw/zinc/44/57/92/538445792.db2.gz CBFCVIAPGYQCSY-UWVGGRQHSA-N 2 0 183.299 0.032 50 0 ACAARP C[C@@H]1CC[C@H](N2CC[NH2+]C[C@H]2C)C[NH2+]1 669382549 538445808 /nfs/dbraw/zinc/44/58/08/538445808.db2.gz MLRJTDRUKLKNPO-MXWKQRLJSA-N 2 0 197.326 0.421 50 0 ACAARP C[C@@H]1CC[C@@H](N2CC[NH2+]C[C@H]2C)C[NH2+]1 669382547 538446002 /nfs/dbraw/zinc/44/60/02/538446002.db2.gz MLRJTDRUKLKNPO-GMTAPVOTSA-N 2 0 197.326 0.421 50 0 ACAARP C[C@@H]1CC[C@H](N2CC[NH2+]CC2)C[NH2+]1 669381968 538446092 /nfs/dbraw/zinc/44/60/92/538446092.db2.gz CBFCVIAPGYQCSY-ZJUUUORDSA-N 2 0 183.299 0.032 50 0 ACAARP C[C@H]1C[NH2+]CCN1[C@H]1CC[C@@H](C)[NH2+]C1 669382554 538446249 /nfs/dbraw/zinc/44/62/49/538446249.db2.gz MLRJTDRUKLKNPO-VWYCJHECSA-N 2 0 197.326 0.421 50 0 ACAARP C[NH2+]CC(C)(C)C[NH+](C)C 20043041 541301528 /nfs/dbraw/zinc/30/15/28/541301528.db2.gz BBQZSKFYAAETKX-UHFFFAOYSA-N 2 0 144.262 0.794 50 0 ACAARP CCC[C@H]([NH3+])C1(O)CC[NH+](C)CC1 74279861 756970466 /nfs/dbraw/zinc/97/04/66/756970466.db2.gz VYOCLOGOTOCZGR-VIFPVBQESA-N 2 0 186.299 0.571 50 0 ACAARP CCC[C@@H]([NH3+])C1(O)CC[NH+](C)CC1 74279863 756972995 /nfs/dbraw/zinc/97/29/95/756972995.db2.gz VYOCLOGOTOCZGR-SECBINFHSA-N 2 0 186.299 0.571 50 0 ACAARP CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 204369956 757030326 /nfs/dbraw/zinc/03/03/26/757030326.db2.gz GLTONSGDKUVRCW-DTWKUNHWSA-N 2 0 154.257 0.548 50 0 ACAARP C[N@@H+]1CC[C@H]([NH3+])[C@@H]2CCC[C@@H]21 238333054 573285077 /nfs/dbraw/zinc/28/50/77/573285077.db2.gz WPUAQRJGVPWHMN-CIUDSAMLSA-N 2 0 154.257 0.818 50 0 ACAARP C[NH+]1CCN(C2(C[NH3+])CCC2)CC1 86474906 573451969 /nfs/dbraw/zinc/45/19/69/573451969.db2.gz STSCNUTZJNXCSA-UHFFFAOYSA-N 2 0 183.299 0.115 50 0 ACAARP C[N@H+]1C[C@H]2C[C@H](C[NH3+])CC[C@H]2C1 169794908 1169294155 /nfs/dbraw/zinc/29/41/55/1169294155.db2.gz KMKLGROJUUVCRC-KXUCPTDWSA-N 2 0 168.284 0.923 50 0 ACAARP CCCC[NH2+]CCC[NH3+] 1663833 571782037 /nfs/dbraw/zinc/78/20/37/571782037.db2.gz MIFWXJNZWLWCGL-UHFFFAOYSA-N 2 0 130.235 0.725 50 0 ACAARP NC(=[NH2+])SCCCC[NH3+] 5113306 571832681 /nfs/dbraw/zinc/83/26/81/571832681.db2.gz PKDIQRBEKZCRHY-UHFFFAOYSA-N 2 0 147.247 0.352 50 0 ACAARP C[NH2+]CC(C)(C)C[NH2+]C 5950820 571854071 /nfs/dbraw/zinc/85/40/71/571854071.db2.gz JXRIGNBVDJINOQ-UHFFFAOYSA-N 2 0 130.235 0.451 50 0 in-vitro ACAARP CC(C)[NH+]1CCN(C(C)(C)C[NH3+])CC1 36170668 572193775 /nfs/dbraw/zinc/19/37/75/572193775.db2.gz LKOITKUFFQGGDT-UHFFFAOYSA-N 2 0 199.342 0.750 50 0 ACAARP C[N@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 118854354 573435412 /nfs/dbraw/zinc/43/54/12/573435412.db2.gz HKEYMXAVHZTUBS-XLPZGREQSA-N 2 0 140.230 0.285 50 0 ACAARP CN1CC[NH+]=C1C1CC[NH2+]CC1 108265111 573708257 /nfs/dbraw/zinc/70/82/57/573708257.db2.gz LIPSDLMDWUBGBL-UHFFFAOYSA-N 2 0 167.256 0.330 50 0 ACAARP C[NH+](C)CCNc1cccnc1C[NH3+] 92721718 486911830 /nfs/dbraw/zinc/91/18/30/486911830.db2.gz YWQDWVZXSYGHNL-UHFFFAOYSA-N 2 0 194.282 0.514 50 0 ACAARP CC1(C)C[N+](=O)C(C)(C)C[N+]1=O 4262204 582524595 /nfs/dbraw/zinc/52/45/95/582524595.db2.gz QZKSMEBNJMADOQ-UHFFFAOYSA-N 2 0 170.212 0.719 50 0 ACAARP C[C@@H]1C[N@H+](CCC[NH3+])CCCO1 61914795 490016268 /nfs/dbraw/zinc/01/62/68/490016268.db2.gz YKELQXIWZFQQQS-SECBINFHSA-N 2 0 172.272 0.446 50 0 in-vitro ACAARP Nc1[nH]c2cc3[nH+]c(N)[nH]c3cc2[nH+]1 5323080 1188765359 /nfs/dbraw/zinc/76/53/59/1188765359.db2.gz BBWUQFVWKFVJPF-UHFFFAOYSA-N 2 0 188.194 0.604 50 0 ACAARP C1CC(OC2CC[NH2+]CC2)CC[NH2+]1 78365552 1188775837 /nfs/dbraw/zinc/77/58/37/1188775837.db2.gz FKVKWZGVSRMDOD-UHFFFAOYSA-N 2 0 184.283 0.507 50 0 ACAARP CC[C@@H]([NH3+])[C@@]1(O)C[NH+]2CCC1CC2 958527578 698189722 /nfs/dbraw/zinc/18/97/22/698189722.db2.gz AFINDDQEYAFCOO-NXEZZACHSA-N 2 0 184.283 0.180 50 0 ACAARP CC(C)[C@@H]([NH3+])[C@@]1(O)CC[N@H+](C)C1 958527585 698189779 /nfs/dbraw/zinc/18/97/79/698189779.db2.gz AGTCTBBLSXQNPL-RKDXNWHRSA-N 2 0 172.272 0.036 50 0 ACAARP CC(C)[C@@H]([NH3+])[C@]1(O)CC[N@H+](C)C1 958527582 698189833 /nfs/dbraw/zinc/18/98/33/698189833.db2.gz AGTCTBBLSXQNPL-BDAKNGLRSA-N 2 0 172.272 0.036 50 0 ACAARP CC[C@H]([NH3+])[C@@]1(O)C[NH+]2CCC1CC2 958527580 698189853 /nfs/dbraw/zinc/18/98/53/698189853.db2.gz AFINDDQEYAFCOO-VHSXEESVSA-N 2 0 184.283 0.180 50 0 ACAARP CC[C@@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 958528013 698189861 /nfs/dbraw/zinc/18/98/61/698189861.db2.gz MFUNIQPEPFZSJF-WSSOQDAQSA-N 2 0 184.283 0.369 50 0 ACAARP CC(C)[C@H]([NH3+])C1(O)CC[NH+](C)CC1 958528011 698189886 /nfs/dbraw/zinc/18/98/86/698189886.db2.gz LZATXKGEJLTEMP-VIFPVBQESA-N 2 0 186.299 0.426 50 0 ACAARP CC(C)[C@H]([NH3+])[C@]1(O)CC[N@H+](C)C1 958527584 698189962 /nfs/dbraw/zinc/18/99/62/698189962.db2.gz AGTCTBBLSXQNPL-IUCAKERBSA-N 2 0 172.272 0.036 50 0 ACAARP CC[C@H]([NH3+])[C@]1(O)C[NH+]2CCC1CC2 958527579 698189981 /nfs/dbraw/zinc/18/99/81/698189981.db2.gz AFINDDQEYAFCOO-UWVGGRQHSA-N 2 0 184.283 0.180 50 0 ACAARP CC[C@@H]([NH3+])[C@]1(O)C[NH+]2CCC1CC2 958527581 698189986 /nfs/dbraw/zinc/18/99/86/698189986.db2.gz AFINDDQEYAFCOO-ZJUUUORDSA-N 2 0 184.283 0.180 50 0 ACAARP CC[C@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 958528012 698189997 /nfs/dbraw/zinc/18/99/97/698189997.db2.gz MFUNIQPEPFZSJF-GFMAATOTSA-N 2 0 184.283 0.369 50 0 ACAARP CC(C)[C@@H]([NH3+])C1(O)CC[NH+](C)CC1 958528009 698190006 /nfs/dbraw/zinc/19/00/06/698190006.db2.gz LZATXKGEJLTEMP-SECBINFHSA-N 2 0 186.299 0.426 50 0 ACAARP CC(C)[C@H]([NH3+])[C@@]1(O)CC[N@H+](C)C1 958527583 698190013 /nfs/dbraw/zinc/19/00/13/698190013.db2.gz AGTCTBBLSXQNPL-DTWKUNHWSA-N 2 0 172.272 0.036 50 0 ACAARP CC(C)[C@@H]([NH3+])C1(O)CC[NH2+]CC1 958528593 698190093 /nfs/dbraw/zinc/19/00/93/698190093.db2.gz WDSBSZWBNWBIFW-MRVPVSSYSA-N 2 0 172.272 0.084 50 0 ACAARP CC(C)[C@H]([NH3+])C1(O)CC[NH2+]CC1 958528594 698190315 /nfs/dbraw/zinc/19/03/15/698190315.db2.gz WDSBSZWBNWBIFW-QMMMGPOBSA-N 2 0 172.272 0.084 50 0 ACAARP C[NH+]1CCN(c2c[nH+]ccc2N)CC1 84453435 132177038 /nfs/dbraw/zinc/17/70/38/132177038.db2.gz CSRXCXCRVBXXNU-UHFFFAOYSA-N 2 0 192.266 0.416 50 0 ACAARP c1cc(N2CC[NH2+]CC2)cc[nH+]1 155383 132178510 /nfs/dbraw/zinc/17/85/10/132178510.db2.gz OQZBAQXTXNIPRA-UHFFFAOYSA-N 2 0 163.224 0.491 50 0 in-vivo ACAARP C[NH+]1CCN(c2cc[nH+]cc2N)CC1 3634616 132180522 /nfs/dbraw/zinc/18/05/22/132180522.db2.gz UAJACUSQLFALEQ-UHFFFAOYSA-N 2 0 192.266 0.416 50 0 in-vitro ACAARP Cc1c[nH+]ccc1N1CC[NH2+]CC1 15635579 132183669 /nfs/dbraw/zinc/18/36/69/132183669.db2.gz QIELQJJSSZTEJW-UHFFFAOYSA-N 2 0 177.251 0.800 50 0 in-vitro ACAARP Cc1cc(N2CC[NH2+]CC2)cc[nH+]1 15079899 132184071 /nfs/dbraw/zinc/18/40/71/132184071.db2.gz FIPQSNSVDULSJM-UHFFFAOYSA-N 2 0 177.251 0.800 50 0 ACAARP Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 20357570 132185572 /nfs/dbraw/zinc/18/55/72/132185572.db2.gz DJYXHYUAEBLISO-UHFFFAOYSA-N 2 0 178.239 0.073 50 0 ACAARP Nc1c[nH+]ccc1N1CC[NH2+]CC1 33874911 132188108 /nfs/dbraw/zinc/18/81/08/132188108.db2.gz ZTSWAKFFINVIES-UHFFFAOYSA-N 2 0 178.239 0.073 50 0 ACAARP [NH3+]Cc1ccccc1N1CC[NH2+]CC1 39115493 132189190 /nfs/dbraw/zinc/18/91/90/132189190.db2.gz XWAJJQBDGFSQLE-UHFFFAOYSA-N 2 0 191.278 0.555 50 0 in-vitro ACAARP C[C@H]1CN(c2cc[nH+]cc2)CC[NH2+]1 52783360 132191855 /nfs/dbraw/zinc/19/18/55/132191855.db2.gz RTZHIYIULRPPSJ-VIFPVBQESA-N 2 0 177.251 0.880 50 0 ACAARP C[C@@H]1CN(c2cc[nH+]cc2)CC[NH2+]1 52783359 132192259 /nfs/dbraw/zinc/19/22/59/132192259.db2.gz RTZHIYIULRPPSJ-SECBINFHSA-N 2 0 177.251 0.880 50 0 ACAARP C[C@@H]1C[NH2+]CCN1c1cc[nH+]cc1 54374935 132192879 /nfs/dbraw/zinc/19/28/79/132192879.db2.gz RSIPSWGUYVEEBC-SECBINFHSA-N 2 0 177.251 0.880 50 0 ACAARP C[C@H]1C[NH2+]CCN1c1cc[nH+]cc1 54374937 132192940 /nfs/dbraw/zinc/19/29/40/132192940.db2.gz RSIPSWGUYVEEBC-VIFPVBQESA-N 2 0 177.251 0.880 50 0 ACAARP [NH3+]C12CC3CC(C1)CC([NH3+])(C3)C2 248737 342932067 /nfs/dbraw/zinc/93/20/67/342932067.db2.gz FOLJMFFBEKONJP-UHFFFAOYSA-N 2 0 166.268 0.995 50 0 ACAARP C[NH+](C)C/C=C/C[NH+](C)C 1695275 342959653 /nfs/dbraw/zinc/95/96/53/342959653.db2.gz KUEDAAUECWBMLW-AATRIKPKSA-N 2 0 142.246 0.666 50 0 in-vitro ACAARP C[NH+]1CCC(C[NH3+])CC1 1698304 342959950 /nfs/dbraw/zinc/95/99/50/342959950.db2.gz AGTPSAZJSOQXHJ-UHFFFAOYSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP C[NH+](C)CCCC[NH+](C)C 2015920 342966853 /nfs/dbraw/zinc/96/68/53/342966853.db2.gz VEAZEPMQWHPHAG-UHFFFAOYSA-N 2 0 144.262 0.890 50 0 biogenic,in-vitro ACAARP C[NH2+]CCC[NH+](C)C 2560540 342976864 /nfs/dbraw/zinc/97/68/64/342976864.db2.gz SORARJZLMNRBAQ-UHFFFAOYSA-N 2 0 116.208 0.158 50 0 ACAARP C[NH+](C)CCCC[NH3+] 2563315 342976867 /nfs/dbraw/zinc/97/68/67/342976867.db2.gz GCOWZPRIMFGIDQ-UHFFFAOYSA-N 2 0 116.208 0.287 50 0 in-vitro ACAARP CCC[NH2+]C/C=C/C[NH3+] 2171122 342970803 /nfs/dbraw/zinc/97/08/03/342970803.db2.gz CVFHKCAAFFOCPM-ONEGZZNKSA-N 2 0 128.219 0.501 50 0 ACAARP C[C@H]1C[N@H+](CCCC[NH3+])C[C@@H](C)O1 6677791 343016062 /nfs/dbraw/zinc/01/60/62/343016062.db2.gz ODJBPQYPAKLTSU-AOOOYVTPSA-N 2 0 186.299 0.835 50 0 in-vitro ACAARP C[C@H]1C[N@H+](C)CC[C@H]1[NH3+] 6780156 343016426 /nfs/dbraw/zinc/01/64/26/343016426.db2.gz WLFDKDVGHUCVFY-NKWVEPMBSA-N 2 0 128.219 0.285 50 0 in-vitro ACAARP C[C@H](C1CC[NH2+]CC1)[NH+](C)C 12383341 343029594 /nfs/dbraw/zinc/02/95/94/343029594.db2.gz NSWAPBRRDGSFGS-MRVPVSSYSA-N 2 0 156.273 0.936 50 0 ACAARP C[C@H]1CN(CCC[NH3+])C[C@@H](C)O1 12505388 343031466 /nfs/dbraw/zinc/03/14/66/343031466.db2.gz NIFZHABTMWBHTG-DTORHVGOSA-N 2 0 172.272 0.444 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@H](C[NH3+])C1 12953681 343032490 /nfs/dbraw/zinc/03/24/90/343032490.db2.gz KEDTYNCWGSIWBK-SSDOTTSWSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP C[NH+](C)CC1CC[NH+](C)CC1 15021710 343041325 /nfs/dbraw/zinc/04/13/25/343041325.db2.gz OKGYHLVBQRUZBI-UHFFFAOYSA-N 2 0 156.273 0.890 50 0 in-vitro ACAARP C[NH+](C)C[C@H]1CC[NH2+]C1 15019560 343041335 /nfs/dbraw/zinc/04/13/35/343041335.db2.gz DDROADVTQNAKPF-ZETCQYMHSA-N 2 0 128.219 0.158 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 18505181 343048430 /nfs/dbraw/zinc/04/84/30/343048430.db2.gz BNLKJYVQFIOOTE-HTQZYQBOSA-N 2 0 140.230 0.158 50 0 in-vitro ACAARP C[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 19256821 343051935 /nfs/dbraw/zinc/05/19/35/343051935.db2.gz WXVBURNVHIQGNV-VIFPVBQESA-N 2 0 185.315 0.360 50 0 ACAARP C[NH+]1CCN(CC(C)(C)C[NH3+])CC1 19199886 343051968 /nfs/dbraw/zinc/05/19/68/343051968.db2.gz NSYKKEXFLYMRPJ-UHFFFAOYSA-N 2 0 185.315 0.219 50 0 ACAARP C[C@H]([NH3+])CC[NH+](C)C 19260049 343051982 /nfs/dbraw/zinc/05/19/82/343051982.db2.gz XFBCIULBTBLLOK-LURJTMIESA-N 2 0 116.208 0.285 50 0 in-vitro ACAARP CC1CC[NH+](C[C@@H](O)C[NH3+])CC1 19685112 343058238 /nfs/dbraw/zinc/05/82/38/343058238.db2.gz YGYKZDYJRMQTLF-VIFPVBQESA-N 2 0 172.272 0.038 50 0 in-vitro ACAARP C[NH+](C)CCNC1CC[NH+](C)CC1 19702502 343058528 /nfs/dbraw/zinc/05/85/28/343058528.db2.gz UXUAHYOQBHTTML-UHFFFAOYSA-N 2 0 185.315 0.232 50 0 in-vitro ACAARP C[NH+]1CCN([C@@H]2CCCC[NH2+]C2)CC1 19947689 343064921 /nfs/dbraw/zinc/06/49/21/343064921.db2.gz JYVKOVOCKMCNCB-LLVKDONJSA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP C[NH2+]CCN(C)C1CC[NH+](C)CC1 20073295 343066808 /nfs/dbraw/zinc/06/68/08/343066808.db2.gz BJHCSXTYIGIZKZ-UHFFFAOYSA-N 2 0 185.315 0.232 50 0 ACAARP C[N@H+](CCO)C1(C[NH3+])CCCCC1 20226839 343069970 /nfs/dbraw/zinc/06/99/70/343069970.db2.gz MFBVHAOMZUQOQK-UHFFFAOYSA-N 2 0 186.299 0.572 50 0 in-vitro ACAARP CC(C)[N@H+](C)CCC[NH3+] 22161644 343079821 /nfs/dbraw/zinc/07/98/21/343079821.db2.gz BYMMQCFMKZXWCN-UHFFFAOYSA-N 2 0 130.235 0.675 50 0 in-vitro ACAARP CC(C)[C@@H](C[NH3+])N1CC[NH+](C)CC1 22921586 343082978 /nfs/dbraw/zinc/08/29/78/343082978.db2.gz NZOHMOAESFGOTF-SNVBAGLBSA-N 2 0 185.315 0.217 50 0 ACAARP C[C@H]([NH3+])[C@H]1CCC[NH2+]1 34343617 343117187 /nfs/dbraw/zinc/11/71/87/343117187.db2.gz KAEAOSROYJPPIZ-NTSWFWBYSA-N 2 0 114.192 0.086 50 0 in-vitro ACAARP CC[C@@H]([NH3+])C[NH+]1CCCC1 38801431 343190685 /nfs/dbraw/zinc/19/06/85/343190685.db2.gz JGFPTUFHGRZOJJ-MRVPVSSYSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP CC[C@H]([NH3+])C[NH+]1CCCC1 38801428 343190562 /nfs/dbraw/zinc/19/05/62/343190562.db2.gz JGFPTUFHGRZOJJ-QMMMGPOBSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP C[C@H]1[C@H]([NH3+])C2CC[NH+]1CC2 39078636 343196603 /nfs/dbraw/zinc/19/66/03/343196603.db2.gz NIBLFQFBAYHCQS-XPUUQOCRSA-N 2 0 140.230 0.428 50 0 ACAARP CC[C@H]([NH3+])[C@@H]([NH3+])CC 39259723 343208944 /nfs/dbraw/zinc/20/89/44/343208944.db2.gz IWCAQTQMDRGMPI-WDSKDSINSA-N 2 0 116.208 0.461 50 0 ACAARP C[C@H](O)C[NH+]1CCC(C[NH3+])CC1 44514530 343267306 /nfs/dbraw/zinc/26/73/06/343267306.db2.gz ABWZGADXFHTWEM-QMMMGPOBSA-N 2 0 172.272 0.038 50 0 ACAARP C[NH+](C)CC1(C[NH3+])CC1 49804409 343276602 /nfs/dbraw/zinc/27/66/02/343276602.db2.gz QOJIQNDDIYNVJK-UHFFFAOYSA-N 2 0 128.219 0.287 50 0 ACAARP C[N@@H+]1C[C@@H]2CC[C@H](C1)C2[NH3+] 47845176 343273187 /nfs/dbraw/zinc/27/31/87/343273187.db2.gz OMNZTTYSHLWCDQ-DHBOJHSNSA-N 2 0 140.230 0.285 50 0 ACAARP C[N@H+](CC1CC1)C[C@H]1CC[NH2+]C1 51889577 343295408 /nfs/dbraw/zinc/29/54/08/343295408.db2.gz OCCRWIBMVVTWSL-JTQLQIEISA-N 2 0 168.284 0.938 50 0 in-vitro ACAARP CCC[N@H+](C)C[C@H]1CC[NH2+]C1 51889449 343295437 /nfs/dbraw/zinc/29/54/37/343295437.db2.gz RPARNKXIGXQZRG-VIFPVBQESA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP CCC[N@H+](C)C[C@@H]1CC[NH2+]C1 51889447 343295391 /nfs/dbraw/zinc/29/53/91/343295391.db2.gz RPARNKXIGXQZRG-SECBINFHSA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP C[N@@H+]1CCC[NH2+]CC1(C)C 62566261 343375671 /nfs/dbraw/zinc/37/56/71/343375671.db2.gz UICVMISNXHDJGK-UHFFFAOYSA-N 2 0 142.246 0.690 50 0 ACAARP C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCOC1 70072525 343473710 /nfs/dbraw/zinc/47/37/10/343473710.db2.gz HMJZJSFFKWTYGW-SNVBAGLBSA-N 2 0 184.283 0.459 50 0 ACAARP C[N@@H+]1C[C@@H]2CCC[C@H]1C[NH2+]C2 72362056 343569880 /nfs/dbraw/zinc/56/98/80/343569880.db2.gz CIRFYLKOLBDVLF-BDAKNGLRSA-N 2 0 154.257 0.690 50 0 ACAARP C[NH+]1CCN(CCC(C)(C)[NH3+])CC1 74280816 343571680 /nfs/dbraw/zinc/57/16/80/343571680.db2.gz NXLLNRYJCITPEK-UHFFFAOYSA-N 2 0 185.315 0.361 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 78210761 343582436 /nfs/dbraw/zinc/58/24/36/343582436.db2.gz KAWCNZLKKVCXSN-BDAKNGLRSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP C[NH+](C)CC[C@@H]1CC[NH2+]C1 82839163 343613204 /nfs/dbraw/zinc/61/32/04/343613204.db2.gz FIDIPXDLHOMWCI-QMMMGPOBSA-N 2 0 142.246 0.548 50 0 ACAARP CC(C)[NH+]1CC(C[NH3+])C1 84987661 343638559 /nfs/dbraw/zinc/63/85/59/343638559.db2.gz GJVBDCHBAIYRHG-UHFFFAOYSA-N 2 0 128.219 0.285 50 0 ACAARP CC(C)[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 101662443 343724984 /nfs/dbraw/zinc/72/49/84/343724984.db2.gz GUDNKWNWSKSETH-HTQZYQBOSA-N 2 0 142.246 0.674 50 0 in-vitro ACAARP Cn1c(N)[nH+]c2ccc(C[NH3+])cc21 131438878 343886037 /nfs/dbraw/zinc/88/60/37/343886037.db2.gz JLFWMQBIOVCIDR-UHFFFAOYSA-N 2 0 176.223 0.614 50 0 ACAARP C1CC([N@@H+]2CCC[NH2+]CC2)C1 52213776 166082968 /nfs/dbraw/zinc/08/29/68/166082968.db2.gz PEUPRRYADLJLAD-UHFFFAOYSA-N 2 0 154.257 0.834 50 0 in-vitro ACAARP C1CC(CC[NH+]2CCOCC2)CC[NH2+]1 1704217 166083367 /nfs/dbraw/zinc/08/33/67/166083367.db2.gz DXSGXEMMBLFIEK-UHFFFAOYSA-N 2 0 198.310 0.708 50 0 in-vitro ACAARP C1CC(C[NH+]2CCOCC2)CC[NH2+]1 11953324 166083390 /nfs/dbraw/zinc/08/33/90/166083390.db2.gz DEZJKGVJDMAGPI-UHFFFAOYSA-N 2 0 184.283 0.318 50 0 in-vitro ACAARP C1CC([NH2+]C2CC[NH2+]CC2)C1 52208731 166083401 /nfs/dbraw/zinc/08/34/01/166083401.db2.gz WIJPSFYCRMJIGX-UHFFFAOYSA-N 2 0 154.257 0.881 50 0 ACAARP C1CC([NH2+]C2CC2)CC[NH2+]1 6811567 166083622 /nfs/dbraw/zinc/08/36/22/166083622.db2.gz RUFSHRICEZJQDT-UHFFFAOYSA-N 2 0 140.230 0.490 50 0 in-vitro ACAARP C1CC([NH2+]C2CCOCC2)CC[NH2+]1 38040876 166083760 /nfs/dbraw/zinc/08/37/60/166083760.db2.gz UDPBJGWBFPNCDC-UHFFFAOYSA-N 2 0 184.283 0.507 50 0 ACAARP C1CC(C2CC[NH2+]CC2)CC[NH2+]1 155347 166084312 /nfs/dbraw/zinc/08/43/12/166084312.db2.gz PRNRUOJLUPUJDN-UHFFFAOYSA-N 2 0 168.284 0.986 50 0 in-vitro ACAARP C1CC1[NH+]1CCC2(CC1)C[NH2+]C2 95937466 166085020 /nfs/dbraw/zinc/08/50/20/166085020.db2.gz BSCHUWBZJSPTAN-UHFFFAOYSA-N 2 0 166.268 0.834 50 0 ACAARP C1CC2CC[NH2+]CC2C[NH2+]1 24180993 166085965 /nfs/dbraw/zinc/08/59/65/166085965.db2.gz XVBWSIVJQVABMM-UHFFFAOYSA-N 2 0 140.230 0.205 50 0 ACAARP C1CC2(CC[NH2+]1)C[N@H+](C1CC1)CCO2 96531552 166085968 /nfs/dbraw/zinc/08/59/68/166085968.db2.gz QGRXGOZHCTVDKW-UHFFFAOYSA-N 2 0 196.294 0.603 50 0 ACAARP C1CC2(CC[NH2+]1)CC[NH2+]C2 44138075 166086002 /nfs/dbraw/zinc/08/60/02/166086002.db2.gz WYZZNMWIWHRXRM-UHFFFAOYSA-N 2 0 140.230 0.350 50 0 in-vitro ACAARP C1CC[NH+](CCO[C@H]2CC[NH2+]C2)CC1 51782062 166090594 /nfs/dbraw/zinc/09/05/94/166090594.db2.gz WXGLFUSDLRRYFE-NSHDSACASA-N 2 0 198.310 0.851 50 0 in-vitro ACAARP C1CC[NH+](CCOC2CC[NH2+]CC2)C1 36963148 166091342 /nfs/dbraw/zinc/09/13/42/166091342.db2.gz IMQRZUQNVVBHHS-UHFFFAOYSA-N 2 0 198.310 0.851 50 0 in-vitro ACAARP C1CC[NH+](C2CC[NH2+]CC2)C1 135212 166091550 /nfs/dbraw/zinc/09/15/50/166091550.db2.gz STWODXDTKGTVCJ-UHFFFAOYSA-N 2 0 154.257 0.834 50 0 in-vitro ACAARP C1CC[NH+](CCCN2CC[NH2+]CC2)C1 20270249 166091611 /nfs/dbraw/zinc/09/16/11/166091611.db2.gz JAXVYOQQRAMPQD-UHFFFAOYSA-N 2 0 197.326 0.378 50 0 in-vitro ACAARP C1CC[NH+](CCN2CC[NH2+]CC2)CC1 19813632 166091706 /nfs/dbraw/zinc/09/17/06/166091706.db2.gz NWWINQCALMSSFD-UHFFFAOYSA-N 2 0 197.326 0.378 50 0 in-vitro ACAARP C1CC[NH+](CCO[C@@H]2CC[NH2+]C2)CC1 51782061 166091978 /nfs/dbraw/zinc/09/19/78/166091978.db2.gz WXGLFUSDLRRYFE-LLVKDONJSA-N 2 0 198.310 0.851 50 0 in-vitro ACAARP C1CC[NH+](CCO[C@@H]2CC[NH2+]C2)C1 51782036 166091989 /nfs/dbraw/zinc/09/19/89/166091989.db2.gz AMYRMEVIRVFPMK-SNVBAGLBSA-N 2 0 184.283 0.461 50 0 in-vitro ACAARP C1CC[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C1 71372314 166092008 /nfs/dbraw/zinc/09/20/08/166092008.db2.gz ATTNTEJBTCFFOL-GUBZILKMSA-N 2 0 166.268 0.690 50 0 in-vitro ACAARP C1CC[NH+](C[C@@H]2CC[NH2+]C2)C1 20440456 166092018 /nfs/dbraw/zinc/09/20/18/166092018.db2.gz DZFGWNNSHNOGPV-SECBINFHSA-N 2 0 154.257 0.692 50 0 in-vitro ACAARP C1CC[NH+](CCO[C@H]2CC[NH2+]C2)C1 51782037 166092021 /nfs/dbraw/zinc/09/20/21/166092021.db2.gz AMYRMEVIRVFPMK-JTQLQIEISA-N 2 0 184.283 0.461 50 0 in-vitro ACAARP C1CC[NH+]([C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 242649097 166092159 /nfs/dbraw/zinc/09/21/59/166092159.db2.gz RULHAHRMDKTQFQ-BRPSZJMVSA-N 2 0 152.241 0.300 50 0 ACAARP C1CC[NH2+]CCCNCCC[NH2+]C1 29786434 166092481 /nfs/dbraw/zinc/09/24/81/166092481.db2.gz UXABFDDIKPVEBR-UHFFFAOYSA-N 2 0 185.315 0.329 50 0 ACAARP C1CC[NH+](C[C@H]2CC[NH2+]C2)C1 20440458 166092901 /nfs/dbraw/zinc/09/29/01/166092901.db2.gz DZFGWNNSHNOGPV-VIFPVBQESA-N 2 0 154.257 0.692 50 0 in-vitro ACAARP C1C[NH+](C2CC[NH2+]CC2)C1 23891121 166093120 /nfs/dbraw/zinc/09/31/20/166093120.db2.gz DDOFLXMWWKLMSZ-UHFFFAOYSA-N 2 0 140.230 0.444 50 0 in-vitro ACAARP C1C[NH2+][C@@H]([C@H]2CCC[NH2+]2)C1 34249664 166096750 /nfs/dbraw/zinc/09/67/50/166096750.db2.gz NQHVTVSAFRAXPA-HTQZYQBOSA-N 2 0 140.230 0.490 50 0 ACAARP C1C[NH2+][C@@H](C2CC[NH2+]CC2)C1 4234997 166096770 /nfs/dbraw/zinc/09/67/70/166096770.db2.gz IUZGEJUVHUPYAJ-SECBINFHSA-N 2 0 154.257 0.738 50 0 in-vitro ACAARP C1C[NH2+][C@]2(C1)CC[NH2+]C2 39343585 166096883 /nfs/dbraw/zinc/09/68/83/166096883.db2.gz ITFXDMMGMUVIDF-SSDOTTSWSA-N 2 0 126.203 0.102 50 0 in-vitro ACAARP C1C[NH2+]C[C@H]([C@H]2CCC[NH2+]2)C1 5849392 166096957 /nfs/dbraw/zinc/09/69/57/166096957.db2.gz QLTZNGNUWYPOSS-RKDXNWHRSA-N 2 0 154.257 0.738 50 0 ACAARP C1C[NH2+][C@H]([C@H]2CCC[NH2+]2)C1 34249661 166097338 /nfs/dbraw/zinc/09/73/38/166097338.db2.gz NQHVTVSAFRAXPA-OCAPTIKFSA-N 2 0 140.230 0.490 50 0 in-vitro ACAARP C1C[NH2+][C@@H](CN2CCCC2)C1 38193752 166097466 /nfs/dbraw/zinc/09/74/66/166097466.db2.gz YLBWRMSQRFEIEB-SECBINFHSA-N 2 0 154.257 0.834 50 0 in-vitro ACAARP C1C[NH2+][C@@]2(C1)CC[NH2+]C2 39343584 166097485 /nfs/dbraw/zinc/09/74/85/166097485.db2.gz ITFXDMMGMUVIDF-ZETCQYMHSA-N 2 0 126.203 0.102 50 0 in-vitro ACAARP C1C[NH2+]C[C@H](CC[NH+]2CCOCC2)C1 42783346 166097608 /nfs/dbraw/zinc/09/76/08/166097608.db2.gz BYSFAURTJRJEHE-NSHDSACASA-N 2 0 198.310 0.708 50 0 ACAARP C1C[NH2+][C@H](C2CC[NH2+]CC2)C1 2545051 166097835 /nfs/dbraw/zinc/09/78/35/166097835.db2.gz IUZGEJUVHUPYAJ-VIFPVBQESA-N 2 0 154.257 0.738 50 0 in-vitro ACAARP C1C[NH2+]C[C@H]([C@H]2CCC[NH2+]C2)C1 114338439 166097907 /nfs/dbraw/zinc/09/79/07/166097907.db2.gz IKNFMHZKPYNCLN-AOOOYVTPSA-N 2 0 168.284 0.986 50 0 ACAARP C1C[NH2+]C[C@H]([C@@H]2CCC[NH2+]C2)C1 114338437 166098181 /nfs/dbraw/zinc/09/81/81/166098181.db2.gz IKNFMHZKPYNCLN-NXEZZACHSA-N 2 0 168.284 0.986 50 0 ACAARP C1C[NH2+][C@H]([C@@H]2CCC[NH2+]C2)C1 5849384 166098501 /nfs/dbraw/zinc/09/85/01/166098501.db2.gz QLTZNGNUWYPOSS-BDAKNGLRSA-N 2 0 154.257 0.738 50 0 ACAARP C1C[NH2+]C[C@H]2CCC[N@H+]2C1 23093926 166098527 /nfs/dbraw/zinc/09/85/27/166098527.db2.gz QBNOLQLKVNGFCG-MRVPVSSYSA-N 2 0 140.230 0.444 50 0 in-vitro ACAARP C1C[NH2+]C[C@H](C[NH+]2CCCC2)OC1 54956995 166098572 /nfs/dbraw/zinc/09/85/72/166098572.db2.gz NFHDKDQZUBECJA-SNVBAGLBSA-N 2 0 184.283 0.461 50 0 in-vitro ACAARP C1C[NH2+][C@H]([C@@H]2CCC[NH2+]2)C1 34249662 166098803 /nfs/dbraw/zinc/09/88/03/166098803.db2.gz NQHVTVSAFRAXPA-YUMQZZPRSA-N 2 0 140.230 0.490 50 0 ACAARP C1CO[C@@H](CN2CCC[NH2+]CC2)C1 20282551 166100095 /nfs/dbraw/zinc/10/00/95/166100095.db2.gz JDMRPTSLBHFQQV-SNVBAGLBSA-N 2 0 184.283 0.461 50 0 ACAARP C1C[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3[N@@H+]2C1 38338646 166107587 /nfs/dbraw/zinc/10/75/87/166107587.db2.gz SYZQBOYLQBDNLX-HLTSFMKQSA-N 2 0 152.241 0.443 50 0 ACAARP C1C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3[N@@H+]2C1 38338648 166109602 /nfs/dbraw/zinc/10/96/02/166109602.db2.gz SYZQBOYLQBDNLX-VGMNWLOBSA-N 2 0 152.241 0.443 50 0 ACAARP CC(C)(C)[NH+]1CC(C[NH3+])C1 104643527 166359859 /nfs/dbraw/zinc/35/98/59/166359859.db2.gz IZVSBMCDUQPJBW-UHFFFAOYSA-N 2 0 142.246 0.675 50 0 ACAARP CC(C)(C)[NH+]1CCN(C2C[NH2+]C2)CC1 54931474 166360875 /nfs/dbraw/zinc/36/08/75/166360875.db2.gz JLBBNRBIONVITP-UHFFFAOYSA-N 2 0 197.326 0.374 50 0 ACAARP CC(C)(C)[NH2+]CCC[NH3+] 2005090 166366317 /nfs/dbraw/zinc/36/63/17/166366317.db2.gz NPMAKXHZQFPWHU-UHFFFAOYSA-N 2 0 130.235 0.723 50 0 ACAARP CC(C)(C)[C@H]([NH3+])CN 19367838 166379948 /nfs/dbraw/zinc/37/99/48/166379948.db2.gz KKMKAWJAGGJWTJ-RXMQYKEDSA-N 2 0 116.208 0.319 50 0 in-vitro ACAARP CC(C)(C[NH3+])[NH+]1CCCC1 19795795 166394309 /nfs/dbraw/zinc/39/43/09/166394309.db2.gz GVGRFFLFCVMJOH-UHFFFAOYSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP CC(C)([NH3+])C(C)(C)[NH3+] 32562600 166398815 /nfs/dbraw/zinc/39/88/15/166398815.db2.gz CGCVLTOGUMLHNP-UHFFFAOYSA-N 2 0 116.208 0.461 50 0 in-vitro ACAARP CC(C)([NH3+])C1CC[NH2+]CC1 82409593 166399587 /nfs/dbraw/zinc/39/95/87/166399587.db2.gz IVHODKWVWHHUNB-UHFFFAOYSA-N 2 0 142.246 0.723 50 0 ACAARP CC(C)OCC[NH+]1CCC([NH3+])CC1 49258824 166558229 /nfs/dbraw/zinc/55/82/29/166558229.db2.gz DIQIGODADKVZEQ-UHFFFAOYSA-N 2 0 186.299 0.835 50 0 in-vitro ACAARP CC1CCN(C(=[NH2+])NC(N)=[NH2+])CC1 49474262 166749581 /nfs/dbraw/zinc/74/95/81/166749581.db2.gz GOEQXDWYNXSHRQ-UHFFFAOYSA-N 2 0 183.259 0.136 50 0 ACAARP CCC[C@@](C)([NH3+])C[NH3+] 35676968 167057757 /nfs/dbraw/zinc/05/77/57/167057757.db2.gz XUDPMVLRRITCFQ-ZCFIWIBFSA-N 2 0 116.208 0.463 50 0 in-vitro ACAARP CCC[C@](C)([NH3+])C[NH3+] 35676967 167094042 /nfs/dbraw/zinc/09/40/42/167094042.db2.gz XUDPMVLRRITCFQ-LURJTMIESA-N 2 0 116.208 0.463 50 0 in-vitro ACAARP CC[N@H+](C)CC1CC[NH2+]CC1 20440775 167139255 /nfs/dbraw/zinc/13/92/55/167139255.db2.gz IKPGXZXKSMHPCC-UHFFFAOYSA-N 2 0 156.273 0.938 50 0 ACAARP CC[N@H+](C)C[C@@H](C)C[NH3+] 19092713 167140976 /nfs/dbraw/zinc/14/09/76/167140976.db2.gz SICIHXOPFHRGOG-ZETCQYMHSA-N 2 0 130.235 0.533 50 0 in-vitro ACAARP CC[N@H+](C)CCC[NH3+] 19834733 167141444 /nfs/dbraw/zinc/14/14/44/167141444.db2.gz FRVNYRKFLIOCNF-UHFFFAOYSA-N 2 0 116.208 0.287 50 0 ACAARP CC[N@H+](C)C1CC[NH2+]CC1 37078961 167142223 /nfs/dbraw/zinc/14/22/23/167142223.db2.gz JTRGJKPTAQTNAS-UHFFFAOYSA-N 2 0 142.246 0.690 50 0 ACAARP CC[N@H+](C)C[C@H]1CC[NH2+]C1 51889421 167144075 /nfs/dbraw/zinc/14/40/75/167144075.db2.gz QWVOIUJSOWUXNE-QMMMGPOBSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP CC[N@H+](C)[C@H](C)CC[NH3+] 19092127 167144272 /nfs/dbraw/zinc/14/42/72/167144272.db2.gz UVQPZTDUOSENTP-SSDOTTSWSA-N 2 0 130.235 0.675 50 0 in-vitro ACAARP CC[N@H+](C)C[C@H](C)C[NH3+] 19092715 167144605 /nfs/dbraw/zinc/14/46/05/167144605.db2.gz SICIHXOPFHRGOG-SSDOTTSWSA-N 2 0 130.235 0.533 50 0 in-vitro ACAARP CC[N@H+](C)[C@@H](C)CC[NH3+] 19092124 167145289 /nfs/dbraw/zinc/14/52/89/167145289.db2.gz UVQPZTDUOSENTP-ZETCQYMHSA-N 2 0 130.235 0.675 50 0 in-vitro ACAARP CC[N@H+](C)C[C@@H]1CC[NH2+]C1 51889419 167146859 /nfs/dbraw/zinc/14/68/59/167146859.db2.gz QWVOIUJSOWUXNE-MRVPVSSYSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP CC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCOC1 70543084 167152797 /nfs/dbraw/zinc/15/27/97/167152797.db2.gz VLDVJXNQXXDFON-LLVKDONJSA-N 2 0 198.310 0.849 50 0 ACAARP CC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCOC1 70543085 167155557 /nfs/dbraw/zinc/15/55/57/167155557.db2.gz VLDVJXNQXXDFON-NSHDSACASA-N 2 0 198.310 0.849 50 0 ACAARP CC[NH+](CC)CCO[C@H]1CC[NH2+]C1 51782558 167165446 /nfs/dbraw/zinc/16/54/46/167165446.db2.gz YUEZSYRTENWHAQ-JTQLQIEISA-N 2 0 186.299 0.707 50 0 in-vitro ACAARP CC[NH+](CC)CCN1CC[C@@H](C[NH3+])C1 19478245 167165626 /nfs/dbraw/zinc/16/56/26/167165626.db2.gz WYDYYMWUXNUHQE-NSHDSACASA-N 2 0 199.342 0.609 50 0 ACAARP CC[NH+](CC)CCCN1CC[NH2+]CC1 20270248 167165856 /nfs/dbraw/zinc/16/58/56/167165856.db2.gz GNKLMCASMJQZKH-UHFFFAOYSA-N 2 0 199.342 0.624 50 0 in-vitro ACAARP CC[NH+](CC)C[C@@H](C)[NH3+] 95079697 167165940 /nfs/dbraw/zinc/16/59/40/167165940.db2.gz ZGZHNQPTNCGKHS-SSDOTTSWSA-N 2 0 130.235 0.675 50 0 in-vitro ACAARP CC[NH+](CC)CCC[NH2+]C 1693396 167166439 /nfs/dbraw/zinc/16/64/39/167166439.db2.gz SMJVVYQWUFKTKZ-UHFFFAOYSA-N 2 0 144.262 0.938 50 0 ACAARP CC[NH+](CC)CCOC1C[NH2+]C1 62809893 167166606 /nfs/dbraw/zinc/16/66/06/167166606.db2.gz REJPPJAGYJYICY-UHFFFAOYSA-N 2 0 172.272 0.317 50 0 in-vitro ACAARP CC[NH+](CC)CCOCC[NH3+] 32005987 167166787 /nfs/dbraw/zinc/16/67/87/167166787.db2.gz YHOOQKRPLXODGK-UHFFFAOYSA-N 2 0 160.261 0.304 50 0 in-vitro ACAARP CC[NH+](CC)CCCNC(N)=[NH2+] 4728836 167166818 /nfs/dbraw/zinc/16/68/18/167166818.db2.gz QFPBHPAEQYLTGG-UHFFFAOYSA-N 2 0 172.276 0.201 50 0 in-vitro ACAARP CC[NH+](CC)CCN1CC[NH2+]CC1 19255804 167166875 /nfs/dbraw/zinc/16/68/75/167166875.db2.gz PVYBFVZRZWESQN-UHFFFAOYSA-N 2 0 185.315 0.233 50 0 in-vitro ACAARP CC[NH+](CC)CCO[C@@H]1CC[NH2+]C1 51782556 167167054 /nfs/dbraw/zinc/16/70/54/167167054.db2.gz YUEZSYRTENWHAQ-SNVBAGLBSA-N 2 0 186.299 0.707 50 0 in-vitro ACAARP CC[NH+](CC)CCN1CC[C@H](C[NH3+])C1 19478247 167167239 /nfs/dbraw/zinc/16/72/39/167167239.db2.gz WYDYYMWUXNUHQE-LLVKDONJSA-N 2 0 199.342 0.609 50 0 ACAARP CC[NH+](CC)CCC[NH3+] 1688366 167167987 /nfs/dbraw/zinc/16/79/87/167167987.db2.gz QOHMWDJIBGVPIF-UHFFFAOYSA-N 2 0 130.235 0.677 50 0 ACAARP CC[NH+](CC)CCNCCC[NH3+] 19736877 167168082 /nfs/dbraw/zinc/16/80/82/167168082.db2.gz RSXRRHHZYNMQRF-UHFFFAOYSA-N 2 0 173.304 0.267 50 0 in-vitro ACAARP CC[NH+](CC)C[C@H]1CC[NH2+]C1 20440452 167168999 /nfs/dbraw/zinc/16/89/99/167168999.db2.gz HOIFYAYAOLSLBR-VIFPVBQESA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP CC[NH+](CC)C[C@H](C)[NH3+] 95079698 167170318 /nfs/dbraw/zinc/17/03/18/167170318.db2.gz ZGZHNQPTNCGKHS-ZETCQYMHSA-N 2 0 130.235 0.675 50 0 in-vitro ACAARP CC[N@H+](CCO)C[C@H]1CCC[NH2+]C1 42783252 167182691 /nfs/dbraw/zinc/18/26/91/167182691.db2.gz SWNLRYROGJBFLA-JTQLQIEISA-N 2 0 186.299 0.300 50 0 ACAARP CC[N@H+](CCO)C1CC[NH2+]CC1 37653846 167185331 /nfs/dbraw/zinc/18/53/31/167185331.db2.gz XYNPYOJLNVLWNI-UHFFFAOYSA-N 2 0 172.272 0.053 50 0 in-vitro ACAARP CC[N@H+](CCO)CC1CC[NH2+]CC1 42783264 167185709 /nfs/dbraw/zinc/18/57/09/167185709.db2.gz PPHFKSFLLGAVOU-UHFFFAOYSA-N 2 0 186.299 0.300 50 0 ACAARP CC[N@H+](CCO)CCC[C@@H](C)[NH3+] 2510617 167186144 /nfs/dbraw/zinc/18/61/44/167186144.db2.gz XUVXSSOPXQRCGL-SECBINFHSA-N 2 0 174.288 0.428 50 0 ACAARP CC[N@H+](CCO)C[C@@H]1CCC[NH2+]C1 42783251 167186473 /nfs/dbraw/zinc/18/64/73/167186473.db2.gz SWNLRYROGJBFLA-SNVBAGLBSA-N 2 0 186.299 0.300 50 0 ACAARP CC[N@H+](CCO)CCC[C@H](C)[NH3+] 5850163 167186686 /nfs/dbraw/zinc/18/66/86/167186686.db2.gz XUVXSSOPXQRCGL-VIFPVBQESA-N 2 0 174.288 0.428 50 0 ACAARP CC[NH+]1CCC(C[NH3+])(N(C)C)CC1 19436181 167198330 /nfs/dbraw/zinc/19/83/30/167198330.db2.gz IEMSHOQNZVVJSP-UHFFFAOYSA-N 2 0 185.315 0.361 50 0 in-vitro ACAARP CC[NH+]1CCC(C[NH2+]C)CC1 11889120 167198481 /nfs/dbraw/zinc/19/84/81/167198481.db2.gz JZZNMTAPZZKQJS-UHFFFAOYSA-N 2 0 156.273 0.938 50 0 ACAARP CC[NH+]1CCC(C[NH3+])CC1 2541773 167200270 /nfs/dbraw/zinc/20/02/70/167200270.db2.gz ZLODGCYXZYPQKQ-UHFFFAOYSA-N 2 0 142.246 0.677 50 0 ACAARP CC[NH+]1CCC([NH3+])CC1 2509233 167200901 /nfs/dbraw/zinc/20/09/01/167200901.db2.gz UFETTXCVHFVMPU-UHFFFAOYSA-N 2 0 128.219 0.429 50 0 in-vitro ACAARP CC[NH+]1CCC([NH2+]CCOC)CC1 2897674 167201340 /nfs/dbraw/zinc/20/13/40/167201340.db2.gz GQQFGTMIAXRKCW-UHFFFAOYSA-N 2 0 186.299 0.707 50 0 ACAARP CC[N@@H+]1CCC[NH2+]C[C@H]1C 23699248 167202387 /nfs/dbraw/zinc/20/23/87/167202387.db2.gz GSVAAWWZBRXGBU-MRVPVSSYSA-N 2 0 142.246 0.690 50 0 ACAARP CC[N@@H+]1CCC[NH2+]CC1 19255313 167202599 /nfs/dbraw/zinc/20/25/99/167202599.db2.gz CWFLFGDTTKLLGN-UHFFFAOYSA-N 2 0 128.219 0.302 50 0 in-vitro ACAARP CC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 11888616 167202661 /nfs/dbraw/zinc/20/26/61/167202661.db2.gz CWENJDZQKVBYRM-VIFPVBQESA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP CC[N@@H+]1CCC[NH2+]C[C@@H]1C 23699245 167202955 /nfs/dbraw/zinc/20/29/55/167202955.db2.gz GSVAAWWZBRXGBU-QMMMGPOBSA-N 2 0 142.246 0.690 50 0 ACAARP CC[NH+]1CCC([NH2+]C)CC1 12505647 167203014 /nfs/dbraw/zinc/20/30/14/167203014.db2.gz FYPFTVGAZOKJRE-UHFFFAOYSA-N 2 0 142.246 0.690 50 0 in-vitro ACAARP CC[N@@H+]1CCC[NH2+][C@H](C)C1 62566266 167203370 /nfs/dbraw/zinc/20/33/70/167203370.db2.gz LGNIAGRSQCMQNR-MRVPVSSYSA-N 2 0 142.246 0.690 50 0 ACAARP CC[N@@H+]1CCC[C@@H](C[NH3+])C1 4342654 167203701 /nfs/dbraw/zinc/20/37/01/167203701.db2.gz SCANQRLZBOLBQD-QMMMGPOBSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP CC[N@@H+]1CCC[NH2+][C@@H](C)C1 62566268 167203906 /nfs/dbraw/zinc/20/39/06/167203906.db2.gz LGNIAGRSQCMQNR-QMMMGPOBSA-N 2 0 142.246 0.690 50 0 ACAARP CC[NH+]1CCC([NH2+]CCCO)CC1 2511863 167204295 /nfs/dbraw/zinc/20/42/95/167204295.db2.gz SYPMOOPAWNBBCE-UHFFFAOYSA-N 2 0 186.299 0.443 50 0 ACAARP CC[N@@H+]1CCC[C@H]1N(C)CCC[NH3+] 45796267 167205228 /nfs/dbraw/zinc/20/52/28/167205228.db2.gz NUSLQTFTUYOMOD-JTQLQIEISA-N 2 0 185.315 0.709 50 0 ACAARP CC[N@@H+]1CCC[C@@H]1N(C)CCC[NH3+] 45796266 167207000 /nfs/dbraw/zinc/20/70/00/167207000.db2.gz NUSLQTFTUYOMOD-SNVBAGLBSA-N 2 0 185.315 0.709 50 0 ACAARP CC[N@@H+]1CCC[C@H](C[NH3+])C1 4342653 167208416 /nfs/dbraw/zinc/20/84/16/167208416.db2.gz SCANQRLZBOLBQD-MRVPVSSYSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP CC[NH+]1CCN(C[C@H](C)C[NH3+])CC1 19929709 167211038 /nfs/dbraw/zinc/21/10/38/167211038.db2.gz AGQISYKFYHHIMZ-SNVBAGLBSA-N 2 0 185.315 0.219 50 0 in-vitro ACAARP CC[NH+]1CCN(C(C)(C)C[NH3+])CC1 19503591 167211857 /nfs/dbraw/zinc/21/18/57/167211857.db2.gz QMKLDYLDJQCZNQ-UHFFFAOYSA-N 2 0 185.315 0.361 50 0 in-vitro ACAARP CC[NH+]1CCN(C[C@@H]2CCC[NH2+]2)CC1 19852650 167211879 /nfs/dbraw/zinc/21/18/79/167211879.db2.gz ICYWXLWILVJPFK-NSHDSACASA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP CC[NH+]1CCN(C2CC[NH2+]CC2)CC1 19437085 167212460 /nfs/dbraw/zinc/21/24/60/167212460.db2.gz JOXMSOKQNJLNEN-UHFFFAOYSA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP CC[NH+]1CCN(C[C@@H](C)C[NH3+])CC1 19929706 167213788 /nfs/dbraw/zinc/21/37/88/167213788.db2.gz AGQISYKFYHHIMZ-JTQLQIEISA-N 2 0 185.315 0.219 50 0 in-vitro ACAARP CCN1CC[NH+](CCCCC[NH3+])CC1 19794295 167213903 /nfs/dbraw/zinc/21/39/03/167213903.db2.gz NZQVWTWHWZATIY-UHFFFAOYSA-N 2 0 199.342 0.753 50 0 ACAARP CC[NH+]1CCN(CC(C)(C)[NH3+])CC1 19685457 167213967 /nfs/dbraw/zinc/21/39/67/167213967.db2.gz AXYCYJIMWSPXMP-UHFFFAOYSA-N 2 0 185.315 0.361 50 0 ACAARP CCN1CC[NH+](CCCC[NH3+])CC1 19272633 167214101 /nfs/dbraw/zinc/21/41/01/167214101.db2.gz PZNAFVVVYJUKGS-UHFFFAOYSA-N 2 0 185.315 0.363 50 0 in-vitro ACAARP CC[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 19852652 167214495 /nfs/dbraw/zinc/21/44/95/167214495.db2.gz ICYWXLWILVJPFK-LLVKDONJSA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP CC[N@@H+]1CCO[C@H](CC[NH2+]C)C1 47218692 167216265 /nfs/dbraw/zinc/21/62/65/167216265.db2.gz CNPAEAMYBMQROY-SECBINFHSA-N 2 0 172.272 0.317 50 0 ACAARP CC[N@@H+]1CCO[C@@H](CC[NH2+]C)C1 47218694 167216584 /nfs/dbraw/zinc/21/65/84/167216584.db2.gz CNPAEAMYBMQROY-VIFPVBQESA-N 2 0 172.272 0.317 50 0 ACAARP CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 238856501 167217415 /nfs/dbraw/zinc/21/74/15/167217415.db2.gz WBNBVPLRUBLMRL-HTQZYQBOSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@@H](C[NH3+])C1 12404776 167217728 /nfs/dbraw/zinc/21/77/28/167217728.db2.gz NKJWMNYRBVKMJY-ZETCQYMHSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@@H](C[NH2+]C)C1 12955250 167218650 /nfs/dbraw/zinc/21/86/50/167218650.db2.gz SYDGCOCEWURBCU-QMMMGPOBSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 100097 167219396 /nfs/dbraw/zinc/21/93/96/167219396.db2.gz CIMLWLBBMAKGIU-SECBINFHSA-N 2 0 154.257 0.692 50 0 ACAARP CC[N@@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 49708946 167219704 /nfs/dbraw/zinc/21/97/04/167219704.db2.gz GQWULILKFDIEHL-RKDXNWHRSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49708959 167220296 /nfs/dbraw/zinc/22/02/96/167220296.db2.gz WBNBVPLRUBLMRL-JGVFFNPUSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@@H]([NH2+]C)[C@@H](C)C1 101429065 167220944 /nfs/dbraw/zinc/22/09/44/167220944.db2.gz GQWULILKFDIEHL-DTWKUNHWSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@@H](CC[NH3+])C1 42784370 167220957 /nfs/dbraw/zinc/22/09/57/167220957.db2.gz VIMROESUSPPGCT-MRVPVSSYSA-N 2 0 142.246 0.677 50 0 ACAARP CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 100093 167221361 /nfs/dbraw/zinc/22/13/61/167221361.db2.gz CIMLWLBBMAKGIU-VIFPVBQESA-N 2 0 154.257 0.692 50 0 ACAARP CC[N@@H+]1CC[C@H](CC[NH3+])C1 42784369 167221710 /nfs/dbraw/zinc/22/17/10/167221710.db2.gz VIMROESUSPPGCT-QMMMGPOBSA-N 2 0 142.246 0.677 50 0 ACAARP CC[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49708945 167222514 /nfs/dbraw/zinc/22/25/14/167222514.db2.gz GQWULILKFDIEHL-BDAKNGLRSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@H](C[NH2+]C)C1 2559651 167223555 /nfs/dbraw/zinc/22/35/55/167223555.db2.gz SYDGCOCEWURBCU-MRVPVSSYSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@H](C[NH3+])C1 2559720 167224316 /nfs/dbraw/zinc/22/43/16/167224316.db2.gz NKJWMNYRBVKMJY-SSDOTTSWSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@H]([NH2+]C)[C@@H](C)C1 101429068 167224830 /nfs/dbraw/zinc/22/48/30/167224830.db2.gz GQWULILKFDIEHL-IUCAKERBSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 238856503 167224923 /nfs/dbraw/zinc/22/49/23/167224923.db2.gz WBNBVPLRUBLMRL-SFYZADRCSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 49708957 167225370 /nfs/dbraw/zinc/22/53/70/167225370.db2.gz WBNBVPLRUBLMRL-YUMQZZPRSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP CC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 101662427 167226286 /nfs/dbraw/zinc/22/62/86/167226286.db2.gz FHOZBMFXDBJVBS-RQJHMYQMSA-N 2 0 128.219 0.285 50 0 in-vitro ACAARP CC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 169617475 167226671 /nfs/dbraw/zinc/22/66/71/167226671.db2.gz FHOZBMFXDBJVBS-BQBZGAKWSA-N 2 0 128.219 0.285 50 0 ACAARP CC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 74941859 167228065 /nfs/dbraw/zinc/22/80/65/167228065.db2.gz FHOZBMFXDBJVBS-NKWVEPMBSA-N 2 0 128.219 0.285 50 0 in-vitro ACAARP CC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 74941861 167229468 /nfs/dbraw/zinc/22/94/68/167229468.db2.gz FHOZBMFXDBJVBS-RNFRBKRXSA-N 2 0 128.219 0.285 50 0 in-vitro ACAARP CC[NH2+]C/C=C/C[NH2+]CC 2534758 167256085 /nfs/dbraw/zinc/25/60/85/167256085.db2.gz YWWSWEIXJXYQJB-AATRIKPKSA-N 2 0 142.246 0.762 50 0 ACAARP CC[NH2+]C1CC[NH2+]CC1 37990587 167258870 /nfs/dbraw/zinc/25/88/70/167258870.db2.gz VARJMVYCDHQKCG-UHFFFAOYSA-N 2 0 128.219 0.348 50 0 ACAARP CC[NH2+]CCC[NH2+]C[C@H]1CCCO1 19736969 167261205 /nfs/dbraw/zinc/26/12/05/167261205.db2.gz NDUDEOIPHQIRSQ-SNVBAGLBSA-N 2 0 186.299 0.755 50 0 ACAARP CC[NH2+]CCC[NH2+]C[C@@H]1CCCO1 19736968 167262335 /nfs/dbraw/zinc/26/23/35/167262335.db2.gz NDUDEOIPHQIRSQ-JTQLQIEISA-N 2 0 186.299 0.755 50 0 ACAARP CC[NH2+]CCC[NH2+]CC 1723260 167262838 /nfs/dbraw/zinc/26/28/38/167262838.db2.gz BEPGHZIEOVULBU-UHFFFAOYSA-N 2 0 130.235 0.596 50 0 ACAARP CC[NH2+]CCC[NH+](C)C 5650423 167262913 /nfs/dbraw/zinc/26/29/13/167262913.db2.gz DZHCTHQUBIPMKS-UHFFFAOYSA-N 2 0 130.235 0.548 50 0 in-vitro ACAARP CC[NH2+]CC(C)(C)[NH3+] 40926077 167262988 /nfs/dbraw/zinc/26/29/88/167262988.db2.gz IOVGBWPECXFYLF-UHFFFAOYSA-N 2 0 116.208 0.333 50 0 ACAARP CC[NH2+]CCCN1CC[NH+](C)CC1 19736976 167263156 /nfs/dbraw/zinc/26/31/56/167263156.db2.gz IVCQNWFWUGMGBJ-UHFFFAOYSA-N 2 0 185.315 0.233 50 0 ACAARP CC[NH2+]CCCCC[NH3+] 69734576 167263539 /nfs/dbraw/zinc/26/35/39/167263539.db2.gz PYMBPKPYZVMBOG-UHFFFAOYSA-N 2 0 130.235 0.725 50 0 in-vitro ACAARP CC[NH2+]CCC[NH2+]CCOC 19736998 167263580 /nfs/dbraw/zinc/26/35/80/167263580.db2.gz RVEWEVIZMBZHHR-UHFFFAOYSA-N 2 0 160.261 0.222 50 0 ACAARP CC[NH2+]C[C@@H](O)C[NH2+]C(C)(C)C 2490466 167269503 /nfs/dbraw/zinc/26/95/03/167269503.db2.gz OGEHZSOBFBYBCJ-MRVPVSSYSA-N 2 0 174.288 0.345 50 0 ACAARP CC[NH2+]C[C@@H]1CC[N@H+](CC)C1 19091624 167271262 /nfs/dbraw/zinc/27/12/62/167271262.db2.gz JMAGSGRQNWLQKT-VIFPVBQESA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C 2490461 167271515 /nfs/dbraw/zinc/27/15/15/167271515.db2.gz OGEHZSOBFBYBCJ-QMMMGPOBSA-N 2 0 174.288 0.345 50 0 ACAARP CC[NH2+]C[C@@H]1CC[N@H+](C)C1 19091631 167272721 /nfs/dbraw/zinc/27/27/21/167272721.db2.gz IIZVKRZQUGSTEX-QMMMGPOBSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP CC[NH2+]C[C@H]1CC[N@H+](C)C1 19091634 167273344 /nfs/dbraw/zinc/27/33/44/167273344.db2.gz IIZVKRZQUGSTEX-MRVPVSSYSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP CC[NH2+]C[C@H]1CC[N@H+](CC)C1 19091627 167275402 /nfs/dbraw/zinc/27/54/02/167275402.db2.gz JMAGSGRQNWLQKT-SECBINFHSA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 38759477 167284080 /nfs/dbraw/zinc/28/40/80/167284080.db2.gz YAXNZIHOGOMMCQ-JGVFFNPUSA-N 2 0 142.246 0.594 50 0 ACAARP CC[NH2+][C@H]1CC[C@@H]([NH3+])CC1 104640769 167289368 /nfs/dbraw/zinc/28/93/68/167289368.db2.gz YOJMZMYEUSHGMD-ZKCHVHJHSA-N 2 0 142.246 0.866 50 0 ACAARP CC[N@@H+]1CCC[C@H](C[NH2+]C)C1 11888619 167208808 /nfs/dbraw/zinc/20/88/08/167208808.db2.gz CWENJDZQKVBYRM-SECBINFHSA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP CCNc1nc(NCC[NH3+])cc(C)[nH+]1 206580878 167314907 /nfs/dbraw/zinc/31/49/07/167314907.db2.gz BCHXKULJELFSMT-UHFFFAOYSA-N 2 0 195.270 0.587 50 0 ACAARP CCOCC[NH2+]C1CC[NH2+]CC1 38040875 167389475 /nfs/dbraw/zinc/38/94/75/167389475.db2.gz OHBZEENSAQWNQN-UHFFFAOYSA-N 2 0 172.272 0.365 50 0 ACAARP CC[C@@H](O)C[NH+]1CCC([NH3+])CC1 37688252 167534466 /nfs/dbraw/zinc/53/44/66/167534466.db2.gz ZPDWBRRPHYDKFH-SECBINFHSA-N 2 0 172.272 0.180 50 0 in-vitro ACAARP CN(C(=[NH2+])NC(N)=[NH2+])c1ccccc1 6568855 167813539 /nfs/dbraw/zinc/81/35/39/167813539.db2.gz JQKRYDDFEZVDPR-UHFFFAOYSA-N 2 0 191.238 0.541 50 0 ACAARP C[NH+](C)CC1CC[NH2+]CC1 16124104 167832589 /nfs/dbraw/zinc/83/25/89/167832589.db2.gz SWQDHDJAIYSTRF-UHFFFAOYSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP C[NH+](C)CCCSC(N)=[NH2+] 1845242 167834818 /nfs/dbraw/zinc/83/48/18/167834818.db2.gz OLHQOJYVQUNWPL-UHFFFAOYSA-N 2 0 161.274 0.565 50 0 in-vivo ACAARP C[NH+](C)C[C@H]1CCC[NH2+]C1 12481213 167841819 /nfs/dbraw/zinc/84/18/19/167841819.db2.gz QOVQVKFKBHWTAA-QMMMGPOBSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP C[NH+](C)C[C@@]1(O)CCC[NH2+]CC1 67425203 167844452 /nfs/dbraw/zinc/84/44/52/167844452.db2.gz MCETXHXLISGBMJ-SECBINFHSA-N 2 0 172.272 0.053 50 0 in-vitro ACAARP C[NH+](C)[C@@H]1CC[C@H]2[NH2+]CCO[C@H]2C1 238855283 167850527 /nfs/dbraw/zinc/85/05/27/167850527.db2.gz RGHFJEXYVWRXCY-BBBLOLIVSA-N 2 0 184.283 0.458 50 0 ACAARP C[NH+](C)[C@H]1CC[C@@H]([NH3+])C1 71495212 167852049 /nfs/dbraw/zinc/85/20/49/167852049.db2.gz JKGFHDQYKCAVBW-RQJHMYQMSA-N 2 0 128.219 0.428 50 0 ACAARP C[NH+]1CCC[NH2+]CCC1 49663027 167904865 /nfs/dbraw/zinc/90/48/65/167904865.db2.gz FBMOOJFGIWOUJA-UHFFFAOYSA-N 2 0 128.219 0.302 50 0 ACAARP C[NH+]1CCN([C@H]2CCCC[NH2+]C2)CC1 19947693 167915396 /nfs/dbraw/zinc/91/53/96/167915396.db2.gz JYVKOVOCKMCNCB-NSHDSACASA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@H](C2CC[NH2+]CC2)C1 71750055 167920948 /nfs/dbraw/zinc/92/09/48/167920948.db2.gz HJSRDORSYFMKLS-SNVBAGLBSA-N 2 0 168.284 0.938 50 0 ACAARP C[N@@H+]1CC[C@@H](CC[NH3+])C1 20440493 167922954 /nfs/dbraw/zinc/92/29/54/167922954.db2.gz CQGLYACIZMXCQF-SSDOTTSWSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP C[N@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2 54956843 167943946 /nfs/dbraw/zinc/94/39/46/167943946.db2.gz MABDHNXQYBSZCB-AOOOYVTPSA-N 2 0 168.284 0.938 50 0 biogenic,in-vitro ACAARP C[NH2+]C1CCC([NH2+]C)CC1 2015195 167983513 /nfs/dbraw/zinc/98/35/13/167983513.db2.gz XDCMXOFKBHKHGP-UHFFFAOYSA-N 2 0 142.246 0.736 50 0 ACAARP C[NH2+]CC1CC[NH+](CCOC)CC1 19088932 167991107 /nfs/dbraw/zinc/99/11/07/167991107.db2.gz NNSYLBINUCUDMD-UHFFFAOYSA-N 2 0 186.299 0.564 50 0 in-vitro ACAARP C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 63166244 167991183 /nfs/dbraw/zinc/99/11/83/167991183.db2.gz GCXNFWJZMDDBJD-VIFPVBQESA-N 2 0 186.299 0.299 50 0 in-vitro ACAARP C[NH2+]CCC1CC[NH2+]CC1 15423963 167992497 /nfs/dbraw/zinc/99/24/97/167992497.db2.gz UEVPXWVZFSQUKS-UHFFFAOYSA-N 2 0 142.246 0.596 50 0 ACAARP C[NH2+]CCC[NH2+]C[C@H]1CCCO1 19736967 167994058 /nfs/dbraw/zinc/99/40/58/167994058.db2.gz TVVSDOKIXYZOIS-SECBINFHSA-N 2 0 172.272 0.365 50 0 ACAARP C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 42784355 168000544 /nfs/dbraw/zinc/00/05/44/168000544.db2.gz OTGQOYFNOJVJLS-VIFPVBQESA-N 2 0 156.273 0.938 50 0 ACAARP C[NH2+]CC[C@H]1CCC[N@H+](C)C1 42784356 168000622 /nfs/dbraw/zinc/00/06/22/168000622.db2.gz OTGQOYFNOJVJLS-SECBINFHSA-N 2 0 156.273 0.938 50 0 ACAARP C[NH2+]C[C@@H](C)C[NH+]1CCCC1 19088058 168003654 /nfs/dbraw/zinc/00/36/54/168003654.db2.gz PMTHKDSKDLHJQY-SECBINFHSA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 1295996 168005428 /nfs/dbraw/zinc/00/54/28/168005428.db2.gz NCVNCVPNGDRJKL-SNVBAGLBSA-N 2 0 186.299 0.299 50 0 ACAARP C[NH2+]C[C@@H]([NH3+])C(C)C 40409051 168005733 /nfs/dbraw/zinc/00/57/33/168005733.db2.gz LMBYDKQMLXSAQC-ZCFIWIBFSA-N 2 0 116.208 0.189 50 0 in-vitro ACAARP C[NH2+]C[C@@H]([NH3+])CC(C)C 40409043 168005880 /nfs/dbraw/zinc/00/58/80/168005880.db2.gz RUXHHYJZWCQYGH-ZETCQYMHSA-N 2 0 130.235 0.579 50 0 in-vitro ACAARP C[NH2+]C[C@@H]1CCC[N@H+](CCOC)C1 19088914 168006548 /nfs/dbraw/zinc/00/65/48/168006548.db2.gz PJCPPFOHZHGUJK-JTQLQIEISA-N 2 0 186.299 0.564 50 0 in-vitro ACAARP C[NH2+]C[C@@H]1CC[N@H+](C)C1(C)C 67425178 168006692 /nfs/dbraw/zinc/00/66/92/168006692.db2.gz WZIIYQYDVDZSFI-QMMMGPOBSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP C[NH2+]C[C@@H]1CCC[N@H+](C)C1 2559684 168007100 /nfs/dbraw/zinc/00/71/00/168007100.db2.gz OUBNEVZXIXKNJE-QMMMGPOBSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP C[NH2+]C[C@@H]1CC[N@H+](C)C1 4384256 168007432 /nfs/dbraw/zinc/00/74/32/168007432.db2.gz ZLDWGNZSKNMPRQ-ZETCQYMHSA-N 2 0 128.219 0.158 50 0 in-vitro ACAARP C[NH2+]C[C@@H]1CC[N@H+](CCOC)C1 11891866 168007678 /nfs/dbraw/zinc/00/76/78/168007678.db2.gz NSEJMPYQHVGIAC-VIFPVBQESA-N 2 0 172.272 0.174 50 0 in-vitro ACAARP C[NH2+]C[C@@H]1CCC[NH2+]C1 40409024 168007774 /nfs/dbraw/zinc/00/77/74/168007774.db2.gz CYDMJLIOBYDVSP-ZETCQYMHSA-N 2 0 128.219 0.205 50 0 in-vitro ACAARP C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 11891824 168007989 /nfs/dbraw/zinc/00/79/89/168007989.db2.gz IGVKUZDVGAUFDP-VIFPVBQESA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP C[NH2+]C[C@@]1(C)CC[N@H+](C)C1 19088218 168009172 /nfs/dbraw/zinc/00/91/72/168009172.db2.gz VOBHWILMARPNBN-MRVPVSSYSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP C[NH2+]C[C@H](C)N1CCCC1 22073560 168009569 /nfs/dbraw/zinc/00/95/69/168009569.db2.gz ICMKVQKZELETEM-QMMMGPOBSA-N 2 0 142.246 0.690 50 0 in-vitro ACAARP C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 1295998 168010544 /nfs/dbraw/zinc/01/05/44/168010544.db2.gz NCVNCVPNGDRJKL-JTQLQIEISA-N 2 0 186.299 0.299 50 0 ACAARP C[NH2+]C[C@H]([NH3+])C(C)C 40409055 168010562 /nfs/dbraw/zinc/01/05/62/168010562.db2.gz LMBYDKQMLXSAQC-LURJTMIESA-N 2 0 116.208 0.189 50 0 in-vitro ACAARP C[NH2+]C[C@H]([NH3+])CC(C)C 40409047 168011386 /nfs/dbraw/zinc/01/13/86/168011386.db2.gz RUXHHYJZWCQYGH-SSDOTTSWSA-N 2 0 130.235 0.579 50 0 in-vitro ACAARP C[NH2+]C[C@H]1CCC[N@H+](C)C1 12370781 168012062 /nfs/dbraw/zinc/01/20/62/168012062.db2.gz OUBNEVZXIXKNJE-MRVPVSSYSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP C[NH2+]C[C@H]1CCC[N@H+](CCOC)C1 19088917 168012112 /nfs/dbraw/zinc/01/21/12/168012112.db2.gz PJCPPFOHZHGUJK-SNVBAGLBSA-N 2 0 186.299 0.564 50 0 in-vitro ACAARP C[NH2+]C[C@H]1CCC[NH2+]C1 40409028 168012602 /nfs/dbraw/zinc/01/26/02/168012602.db2.gz CYDMJLIOBYDVSP-SSDOTTSWSA-N 2 0 128.219 0.205 50 0 ACAARP C[NH2+]C[C@H]1CC[N@H+](C)C1(C)C 67425180 168013853 /nfs/dbraw/zinc/01/38/53/168013853.db2.gz WZIIYQYDVDZSFI-MRVPVSSYSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP C[NH2+]C[C@]1(C)CC[N@H+](C)C1 19088220 168013873 /nfs/dbraw/zinc/01/38/73/168013873.db2.gz VOBHWILMARPNBN-QMMMGPOBSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP C[NH2+]C[C@H]1CC[N@H+](C)C1 4384257 168013978 /nfs/dbraw/zinc/01/39/78/168013978.db2.gz ZLDWGNZSKNMPRQ-SSDOTTSWSA-N 2 0 128.219 0.158 50 0 in-vitro ACAARP C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 2559644 168014207 /nfs/dbraw/zinc/01/42/07/168014207.db2.gz IGVKUZDVGAUFDP-SECBINFHSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP C[NH2+]C[C@H]1CC[N@H+](CCOC)C1 11891870 168014624 /nfs/dbraw/zinc/01/46/24/168014624.db2.gz NSEJMPYQHVGIAC-SECBINFHSA-N 2 0 172.272 0.174 50 0 in-vitro ACAARP C[NH2+]Cc1cccc(C[NH2+]C)n1 35822987 168017970 /nfs/dbraw/zinc/01/79/70/168017970.db2.gz CWZCDQKFQRKZKG-UHFFFAOYSA-N 2 0 165.240 0.520 50 0 in-vitro ACAARP C[NH2+][C@@H](C)C1CC[NH+](C)CC1 37208418 168029617 /nfs/dbraw/zinc/02/96/17/168029617.db2.gz ZXXKBZCVDHPLTC-QMMMGPOBSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 101428950 168040444 /nfs/dbraw/zinc/04/04/44/168040444.db2.gz RKKFHLLWOCTYCM-JGVFFNPUSA-N 2 0 142.246 0.546 50 0 in-vitro ACAARP C[NH2+][C@@H]1CCCC[NH2+]C1 39982826 168041377 /nfs/dbraw/zinc/04/13/77/168041377.db2.gz OROOBNKHDZYDFL-SSDOTTSWSA-N 2 0 128.219 0.348 50 0 in-vitro ACAARP C[NH2+][C@@H]1CCC[NH2+]CC1 82666744 168041433 /nfs/dbraw/zinc/04/14/33/168041433.db2.gz VXWXWODKHSGZQL-SSDOTTSWSA-N 2 0 128.219 0.348 50 0 in-vitro ACAARP C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C 238855297 168041501 /nfs/dbraw/zinc/04/15/01/168041501.db2.gz RKKFHLLWOCTYCM-HTQZYQBOSA-N 2 0 142.246 0.546 50 0 in-vitro ACAARP C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 49694175 168041900 /nfs/dbraw/zinc/04/19/00/168041900.db2.gz AHEMOUYHIVTHGC-JGVFFNPUSA-N 2 0 142.246 0.689 50 0 in-vitro ACAARP C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 49694174 168041943 /nfs/dbraw/zinc/04/19/43/168041943.db2.gz AHEMOUYHIVTHGC-HTQZYQBOSA-N 2 0 142.246 0.689 50 0 in-vitro ACAARP C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 37267476 168042051 /nfs/dbraw/zinc/04/20/51/168042051.db2.gz YQIZJCYKHRHHDQ-SNVBAGLBSA-N 2 0 197.326 0.374 50 0 in-vitro ACAARP C[NH2+][C@H](C)C1CC[NH+](C)CC1 37208419 168049556 /nfs/dbraw/zinc/04/95/56/168049556.db2.gz ZXXKBZCVDHPLTC-MRVPVSSYSA-N 2 0 156.273 0.936 50 0 in-vitro ACAARP C[NH2+][C@H]1CCCC[NH2+]C1 39982827 168055477 /nfs/dbraw/zinc/05/54/77/168055477.db2.gz OROOBNKHDZYDFL-ZETCQYMHSA-N 2 0 128.219 0.348 50 0 in-vitro ACAARP C[NH2+][C@H]1CCCC[C@@H]1[NH2+]C 38541413 168055798 /nfs/dbraw/zinc/05/57/98/168055798.db2.gz JRHPOFJADXHYBR-YUMQZZPRSA-N 2 0 142.246 0.736 50 0 in-vitro ACAARP C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 49694177 168057115 /nfs/dbraw/zinc/05/71/15/168057115.db2.gz AHEMOUYHIVTHGC-YUMQZZPRSA-N 2 0 142.246 0.689 50 0 in-vitro ACAARP C[NH2+][C@H]1CCC[NH2+]CC1 82666745 168057146 /nfs/dbraw/zinc/05/71/46/168057146.db2.gz VXWXWODKHSGZQL-ZETCQYMHSA-N 2 0 128.219 0.348 50 0 in-vitro ACAARP C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 39079041 168057582 /nfs/dbraw/zinc/05/75/82/168057582.db2.gz RKKFHLLWOCTYCM-SFYZADRCSA-N 2 0 142.246 0.546 50 0 in-vitro ACAARP C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 37267478 168057589 /nfs/dbraw/zinc/05/75/89/168057589.db2.gz YQIZJCYKHRHHDQ-JTQLQIEISA-N 2 0 197.326 0.374 50 0 in-vitro ACAARP C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 49694176 168057603 /nfs/dbraw/zinc/05/76/03/168057603.db2.gz AHEMOUYHIVTHGC-SFYZADRCSA-N 2 0 142.246 0.689 50 0 in-vitro ACAARP C[NH2+][C@H]1CCCC[C@H]1[NH2+]C 25695618 168058380 /nfs/dbraw/zinc/05/83/80/168058380.db2.gz JRHPOFJADXHYBR-OCAPTIKFSA-N 2 0 142.246 0.736 50 0 in-vitro ACAARP C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C 39079043 168058389 /nfs/dbraw/zinc/05/83/89/168058389.db2.gz RKKFHLLWOCTYCM-YUMQZZPRSA-N 2 0 142.246 0.546 50 0 in-vitro ACAARP COC(=O)CC[NH2+]CCC[NH+](C)C 2565647 168087582 /nfs/dbraw/zinc/08/75/82/168087582.db2.gz WQKFFWPHFBTKLF-UHFFFAOYSA-N 2 0 188.271 0.091 50 0 ACAARP COC1CC[NH+](C2CC[NH2+]CC2)CC1 37266416 168145396 /nfs/dbraw/zinc/14/53/96/168145396.db2.gz QYTOCUJJGMOUDF-UHFFFAOYSA-N 2 0 198.310 0.849 50 0 in-vitro ACAARP C[NH2+][C@@H]1CCCC[C@H]1[NH2+]C 89220030 168041794 /nfs/dbraw/zinc/04/17/94/168041794.db2.gz JRHPOFJADXHYBR-HTQZYQBOSA-N 2 0 142.246 0.736 50 0 in-vitro ACAARP COCCCC[NH+]1CCC([NH3+])CC1 44659158 168152197 /nfs/dbraw/zinc/15/21/97/168152197.db2.gz YYBGIHHDOCGDQD-UHFFFAOYSA-N 2 0 186.299 0.836 50 0 ACAARP COCCC1([NH3+])CC[NH2+]CC1 98213808 168152878 /nfs/dbraw/zinc/15/28/78/168152878.db2.gz WQFISTGPZJTETQ-UHFFFAOYSA-N 2 0 158.245 0.104 50 0 ACAARP COCCC[NH+]1CCC([NH3+])CC1 34974470 168154084 /nfs/dbraw/zinc/15/40/84/168154084.db2.gz HIXAJGFVNMKLML-UHFFFAOYSA-N 2 0 172.272 0.446 50 0 in-vitro ACAARP COCCCN1CCC[NH2+]CC1 37753353 168154461 /nfs/dbraw/zinc/15/44/61/168154461.db2.gz BUTYSDZRDMSIAZ-UHFFFAOYSA-N 2 0 172.272 0.318 50 0 in-vitro ACAARP COCC[NH+]1CCC(C[NH3+])CC1 19088925 168160180 /nfs/dbraw/zinc/16/01/80/168160180.db2.gz DVRUPOLTRICBFA-UHFFFAOYSA-N 2 0 172.272 0.304 50 0 in-vitro ACAARP COCCN1CCC[C@H]([NH3+])C1 31993081 168160667 /nfs/dbraw/zinc/16/06/67/168160667.db2.gz DXKXCEYSOXUATJ-QMMMGPOBSA-N 2 0 158.245 0.056 50 0 in-vitro ACAARP COCC[NH+]1CCC([NH3+])CC1 19388601 168161184 /nfs/dbraw/zinc/16/11/84/168161184.db2.gz ILMDRDDKNWKCNX-UHFFFAOYSA-N 2 0 158.245 0.056 50 0 in-vitro ACAARP COCCN1CCC[C@@H]([NH3+])C1 40740122 168161883 /nfs/dbraw/zinc/16/18/83/168161883.db2.gz DXKXCEYSOXUATJ-MRVPVSSYSA-N 2 0 158.245 0.056 50 0 in-vitro ACAARP COCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 72121916 168163197 /nfs/dbraw/zinc/16/31/97/168163197.db2.gz BAFMMLHYUHAVQP-LLVKDONJSA-N 2 0 198.310 0.708 50 0 ACAARP COCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 82645420 168163302 /nfs/dbraw/zinc/16/33/02/168163302.db2.gz FONBDIUFZYWWLH-UWVGGRQHSA-N 2 0 186.299 0.692 50 0 in-vitro ACAARP COCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645422 168163920 /nfs/dbraw/zinc/16/39/20/168163920.db2.gz FONBDIUFZYWWLH-ZJUUUORDSA-N 2 0 186.299 0.692 50 0 in-vitro ACAARP COCC[NH2+]C1CCN(C)CC1 1529112 168166047 /nfs/dbraw/zinc/16/60/47/168166047.db2.gz YZYMRSNKBLZRJK-UHFFFAOYSA-N 2 0 172.272 0.317 50 0 in-vitro ACAARP COCC[NH2+]CC1CC[NH+](C)CC1 44518334 168166783 /nfs/dbraw/zinc/16/67/83/168166783.db2.gz PQVMCKHYSUBCTK-UHFFFAOYSA-N 2 0 186.299 0.564 50 0 in-vitro ACAARP COC[C@@H](C)[NH+]1CCC([NH3+])CC1 19507353 168181395 /nfs/dbraw/zinc/18/13/95/168181395.db2.gz RPRSJVRCTPJZHO-MRVPVSSYSA-N 2 0 172.272 0.444 50 0 ACAARP COC[C@H](C)[NH+]1CCC([NH3+])CC1 19507355 168187091 /nfs/dbraw/zinc/18/70/91/168187091.db2.gz RPRSJVRCTPJZHO-QMMMGPOBSA-N 2 0 172.272 0.444 50 0 ACAARP CO[C@@H]1CN(C(C)C)C[C@@H]1[NH3+] 65356818 168207343 /nfs/dbraw/zinc/20/73/43/168207343.db2.gz RCRIZLJMLOJTPO-JGVFFNPUSA-N 2 0 158.245 0.053 50 0 ACAARP CO[C@@H]1CN(C(C)C)C[C@H]1[NH3+] 65356819 168208347 /nfs/dbraw/zinc/20/83/47/168208347.db2.gz RCRIZLJMLOJTPO-HTQZYQBOSA-N 2 0 158.245 0.053 50 0 ACAARP CSC1(C[NH3+])CC[NH+](C)CC1 84985922 168297224 /nfs/dbraw/zinc/29/72/24/168297224.db2.gz UWTOXTULXDOWAW-UHFFFAOYSA-N 2 0 174.313 0.773 50 0 in-vitro ACAARP C[C@@H](C1CC[NH2+]CC1)[NH+]1CCOCC1 19088546 168331603 /nfs/dbraw/zinc/33/16/03/168331603.db2.gz GUDPYLAMWCTVNN-JTQLQIEISA-N 2 0 198.310 0.707 50 0 in-vitro ACAARP C[C@@H](C1CC[NH2+]CC1)[NH+](C)C 12383340 168332108 /nfs/dbraw/zinc/33/21/08/168332108.db2.gz NSWAPBRRDGSFGS-QMMMGPOBSA-N 2 0 156.273 0.936 50 0 ACAARP C[C@@H](CC[NH3+])[NH+](C)C 19091972 168337157 /nfs/dbraw/zinc/33/71/57/168337157.db2.gz HMNAAVUZNWPXDC-LURJTMIESA-N 2 0 116.208 0.285 50 0 in-vitro ACAARP C[C@@H](CC[NH3+])[NH+]1CCCC1 19673612 168337889 /nfs/dbraw/zinc/33/78/89/168337889.db2.gz SPZQIRUEJFYSEQ-QMMMGPOBSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP C[C@@H](CC[NH+](C)C)[NH+](C)C 404465 168338034 /nfs/dbraw/zinc/33/80/34/168338034.db2.gz AXFVIWBTKYFOCY-QMMMGPOBSA-N 2 0 144.262 0.888 50 0 ACAARP C[C@@H](C[NH+](C)C)[C@@H](C)[NH3+] 39077798 168341562 /nfs/dbraw/zinc/34/15/62/168341562.db2.gz RCXMEKRBMUREKV-NKWVEPMBSA-N 2 0 130.235 0.531 50 0 ACAARP C[C@@H](C[NH3+])C[NH+](C)C 6020724 168343637 /nfs/dbraw/zinc/34/36/37/168343637.db2.gz DAMJSIMZZSEQRD-LURJTMIESA-N 2 0 116.208 0.143 50 0 in-vitro ACAARP C[C@@H](C[NH3+])C[NH+]1CCCC1 11804609 168343679 /nfs/dbraw/zinc/34/36/79/168343679.db2.gz UOJULWGNCNKVHI-QMMMGPOBSA-N 2 0 142.246 0.677 50 0 ACAARP C[C@@H](C[NH3+])CCC[NH3+] 4521361 168344041 /nfs/dbraw/zinc/34/40/41/168344041.db2.gz JZUHIOJYCPIVLQ-ZCFIWIBFSA-N 2 0 116.208 0.320 50 0 in-vitro ACAARP C[C@@H](C[NH3+])[C@H]1CCC[N@@H+]1C 82028004 168345351 /nfs/dbraw/zinc/34/53/51/168345351.db2.gz BDFFLNPSIJVLES-JGVFFNPUSA-N 2 0 142.246 0.675 50 0 in-vitro ACAARP C[C@@H](C[NH3+])[C@@H]1CCC[N@@H+]1C 82028002 168345663 /nfs/dbraw/zinc/34/56/63/168345663.db2.gz BDFFLNPSIJVLES-YUMQZZPRSA-N 2 0 142.246 0.675 50 0 in-vitro ACAARP C[C@@H]([NH3+])C1CC[NH+](C)CC1 19091005 168360038 /nfs/dbraw/zinc/36/00/38/168360038.db2.gz YYBLKINSGHLYAR-SSDOTTSWSA-N 2 0 142.246 0.675 50 0 in-vitro ACAARP C[C@@H]([NH3+])C1=CC[N@H+](C)CC1 95347905 168360166 /nfs/dbraw/zinc/36/01/66/168360166.db2.gz FGXZEDMDGLAUPT-SSDOTTSWSA-N 2 0 140.230 0.596 50 0 in-vitro ACAARP C[C@@H]([NH3+])CCCC[NH3+] 34598858 168360195 /nfs/dbraw/zinc/36/01/95/168360195.db2.gz XTBMQKZEIICCCS-ZCFIWIBFSA-N 2 0 116.208 0.463 50 0 in-vitro ACAARP C[C@@H]([NH3+])C(C)(C)C[NH+](C)C 71372464 168360564 /nfs/dbraw/zinc/36/05/64/168360564.db2.gz ICEDGCVQOZKTIH-SSDOTTSWSA-N 2 0 144.262 0.921 50 0 in-vitro ACAARP C[C@@H]([NH3+])CC[NH+](C)C 19260047 168361548 /nfs/dbraw/zinc/36/15/48/168361548.db2.gz XFBCIULBTBLLOK-ZCFIWIBFSA-N 2 0 116.208 0.285 50 0 in-vitro ACAARP C[C@@H]([NH3+])CC[NH+]1CCCC1 13483562 168362173 /nfs/dbraw/zinc/36/21/73/168362173.db2.gz IZHXOIVNOIKRLP-MRVPVSSYSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP C[C@@H]([NH3+])CN(C)C1CC[NH+](C)CC1 19256819 168362412 /nfs/dbraw/zinc/36/24/12/168362412.db2.gz WXVBURNVHIQGNV-SECBINFHSA-N 2 0 185.315 0.360 50 0 ACAARP C[C@@H]([NH3+])CCC[NH3+] 13516657 168362469 /nfs/dbraw/zinc/36/24/69/168362469.db2.gz UEICEJLUNGARHQ-RXMQYKEDSA-N 2 0 102.181 0.073 50 0 in-vitro ACAARP C[C@@H]([NH3+])C[NH+]1CCCC1 19358820 168363411 /nfs/dbraw/zinc/36/34/11/168363411.db2.gz ZLGZKMHJXLDWSP-SSDOTTSWSA-N 2 0 128.219 0.429 50 0 in-vitro ACAARP C[C@@H]([NH3+])[C@@H]1CCCC[NH2+]1 34927093 168366235 /nfs/dbraw/zinc/36/62/35/168366235.db2.gz JBZRHQMTFCUHPD-RQJHMYQMSA-N 2 0 128.219 0.476 50 0 ACAARP C[C@@H]([NH3+])[C@@H]1CCC[NH2+]C1 82645587 168367693 /nfs/dbraw/zinc/36/76/93/168367693.db2.gz KVDCUZAVCKTODV-RNFRBKRXSA-N 2 0 128.219 0.333 50 0 ACAARP C[C@@H]([NH3+])[C@H](C)C[NH+](C)C 39077799 168367785 /nfs/dbraw/zinc/36/77/85/168367785.db2.gz RCXMEKRBMUREKV-RNFRBKRXSA-N 2 0 130.235 0.531 50 0 ACAARP C[C@@H]([NH3+])[C@@H]1CCC[NH2+]1 34343616 168368304 /nfs/dbraw/zinc/36/83/04/168368304.db2.gz KAEAOSROYJPPIZ-RITPCOANSA-N 2 0 114.192 0.086 50 0 in-vitro ACAARP C[C@@H]([NH3+])[C@H]1CCC[NH2+]C1 82645589 168368417 /nfs/dbraw/zinc/36/84/17/168368417.db2.gz KVDCUZAVCKTODV-RQJHMYQMSA-N 2 0 128.219 0.333 50 0 ACAARP C[C@@H]([NH3+])[C@H]1CCC[NH2+]1 34343618 168368729 /nfs/dbraw/zinc/36/87/29/168368729.db2.gz KAEAOSROYJPPIZ-PHDIDXHHSA-N 2 0 114.192 0.086 50 0 in-vitro ACAARP C[C@@H]([NH3+])[C@H]1CCCC[NH2+]1 34927095 168369018 /nfs/dbraw/zinc/36/90/18/168369018.db2.gz JBZRHQMTFCUHPD-RNFRBKRXSA-N 2 0 128.219 0.476 50 0 ACAARP C[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 44514532 168391949 /nfs/dbraw/zinc/39/19/49/168391949.db2.gz ABWZGADXFHTWEM-MRVPVSSYSA-N 2 0 172.272 0.038 50 0 ACAARP C[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 37688242 168392252 /nfs/dbraw/zinc/39/22/52/168392252.db2.gz QTSRPCVMANIMGS-MRVPVSSYSA-N 2 0 172.272 0.051 50 0 in-vitro ACAARP C[C@@]([NH3+])(C[NH3+])C1CC1 35676908 168496506 /nfs/dbraw/zinc/49/65/06/168496506.db2.gz JXECWUINHWCLRW-ZCFIWIBFSA-N 2 0 114.192 0.073 50 0 in-vitro ACAARP C[C@H]([NH3+])[C@H](C)C[NH+](C)C 39077801 168553964 /nfs/dbraw/zinc/55/39/64/168553964.db2.gz RCXMEKRBMUREKV-RQJHMYQMSA-N 2 0 130.235 0.531 50 0 ACAARP Cc1ccnc2n1nc1cccc[n+]12 285924 168892323 /nfs/dbraw/zinc/89/23/23/168892323.db2.gz ZJBWHSWZINAACF-UHFFFAOYSA-N 2 0 185.210 0.776 50 0 ACAARP Cc1c[nH+]ccc1NCC[NH3+] 15635581 168912643 /nfs/dbraw/zinc/91/26/43/168912643.db2.gz OKUXSALAQVZSJX-UHFFFAOYSA-N 2 0 151.213 0.761 50 0 in-vitro ACAARP [NH3+]C[C@H]1CC[N@@H+](C2CC2)C1 11891196 169216584 /nfs/dbraw/zinc/21/65/84/169216584.db2.gz SEWUODUTOWYMCK-SSDOTTSWSA-N 2 0 140.230 0.429 50 0 in-vitro ACAARP [NH3+]C[C@H]1CCC[C@@H]([NH3+])C1 49588203 169216594 /nfs/dbraw/zinc/21/65/94/169216594.db2.gz OEFAIWKFALHMEY-NKWVEPMBSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]C[C@H]1CC[N@H+](Cc2ccccn2)C1 19480180 169216595 /nfs/dbraw/zinc/21/65/95/169216595.db2.gz OGCLVZXMPJFMIQ-SNVBAGLBSA-N 2 0 191.278 0.862 50 0 ACAARP [NH3+]C[C@H]1CCC[C@H]1[NH3+] 1726311 169216629 /nfs/dbraw/zinc/21/66/29/169216629.db2.gz SRGQQZYVZFJYHJ-PHDIDXHHSA-N 2 0 114.192 0.073 50 0 ACAARP [NH3+]C[C@H]1CC[C@@H](C[NH3+])CC1 100055208 169216663 /nfs/dbraw/zinc/21/66/63/169216663.db2.gz OXIKYYJDTWKERT-ZKCHVHJHSA-N 2 0 142.246 0.710 50 0 ACAARP [NH3+]C[C@H]1CCC[C@H](C[NH3+])C1 406905 169216664 /nfs/dbraw/zinc/21/66/64/169216664.db2.gz QLBRROYTTDFLDX-YUMQZZPRSA-N 2 0 142.246 0.710 50 0 in-vitro ACAARP NC(=[NH2+])CC[NH+]1CCCCC1 4202662 169136381 /nfs/dbraw/zinc/13/63/81/169136381.db2.gz JFFMPMCFNAYONM-UHFFFAOYSA-N 2 0 155.245 0.798 50 0 in-vitro ACAARP NC(=[NH2+])CCCC(N)=[NH2+] 1442743 169136729 /nfs/dbraw/zinc/13/67/29/169136729.db2.gz JMIWEBTUNLDJLA-UHFFFAOYSA-N 2 0 128.179 0.029 50 0 ACAARP NC(=[NH2+])Cc1ccc(CC[NH3+])cc1 2599206 169137308 /nfs/dbraw/zinc/13/73/08/169137308.db2.gz DYZFQWBNHNQWPE-UHFFFAOYSA-N 2 0 177.251 0.666 50 0 ACAARP NC(=[NH2+])NC(=[NH2+])NCc1ccccc1 390716 169137319 /nfs/dbraw/zinc/13/73/19/169137319.db2.gz IBWXAMPUVRBFIS-UHFFFAOYSA-N 2 0 191.238 0.194 50 0 ACAARP NC(=[NH2+])NC(=[NH2+])Nc1ccccc1 14951244 169137552 /nfs/dbraw/zinc/13/75/52/169137552.db2.gz CUQCMXFWIMOWRP-UHFFFAOYSA-N 2 0 177.211 0.516 50 0 in-vitro ACAARP NC(=[NH2+])NCCCCCCC[NH3+] 5828553 169137607 /nfs/dbraw/zinc/13/76/07/169137607.db2.gz YAOAMZOGXBMLFQ-UHFFFAOYSA-N 2 0 172.276 0.379 50 0 in-vivo ACAARP NC(=[NH2+])NC(=[NH2+])Nc1ccccc1O 20146047 169137794 /nfs/dbraw/zinc/13/77/94/169137794.db2.gz MHBHFAPPQHMMJC-UHFFFAOYSA-N 2 0 193.210 0.222 50 0 ACAARP NC(=[NH2+])N1CC[NH+](C2CCCC2)CC1 6855127 169137941 /nfs/dbraw/zinc/13/79/41/169137941.db2.gz IOFNFTCHHHWDNU-UHFFFAOYSA-N 2 0 196.298 0.440 50 0 ACAARP NC(=[NH2+])NC(=[NH2+])N1CCCCCC1 38409880 169138017 /nfs/dbraw/zinc/13/80/17/169138017.db2.gz NHYRTNOKXVQKOX-UHFFFAOYSA-N 2 0 183.259 0.280 50 0 ACAARP NC(=[NH2+])NC(=[NH2+])Nc1ccc(F)cc1 5785456 169138263 /nfs/dbraw/zinc/13/82/63/169138263.db2.gz NOLAUIXZGNESCX-UHFFFAOYSA-N 2 0 195.201 0.655 50 0 in-vitro ACAARP NC(=[NH2+])NCC[NH+]1CCCCCCC1 1530648 169138422 /nfs/dbraw/zinc/13/84/22/169138422.db2.gz ACGDKVXYNVEAGU-UHFFFAOYSA-N 2 0 198.314 0.736 50 0 world ACAARP NC(=[NH2+])[C@H]1CCCCN1 66055363 169139058 /nfs/dbraw/zinc/13/90/58/169139058.db2.gz VUFZBKQYVPXHGQ-RXMQYKEDSA-N 2 0 127.191 0.064 50 0 ACAARP NC(=[NH2+])SC[C@@H]1C[NH+]=C(N)S1 15636635 169139099 /nfs/dbraw/zinc/13/90/99/169139099.db2.gz MEMVWUORWNBHRS-VKHMYHEASA-N 2 0 190.297 0.043 50 0 ACAARP NC(=[NH2+])SCCCSC(N)=[NH2+] 5113785 169139362 /nfs/dbraw/zinc/13/93/62/169139362.db2.gz LEJAROVVOZZNSE-UHFFFAOYSA-N 2 0 192.313 0.630 50 0 ACAARP NC(=[NH2+])c1ccc(C(N)=[NH2+])cc1 399551 169139493 /nfs/dbraw/zinc/13/94/93/169139493.db2.gz UNMMLGAPDZGRJJ-UHFFFAOYSA-N 2 0 162.196 0.255 50 0 ACAARP NC(=[NH2+])SCCSC(N)=[NH2+] 12359948 169139609 /nfs/dbraw/zinc/13/96/09/169139609.db2.gz SWXOUTZSPTXSOB-UHFFFAOYSA-N 2 0 178.286 0.240 50 0 in-vitro ACAARP NC(=[NH2+])SC[C@H]1C[NH+]=C(N)S1 4951958 169140258 /nfs/dbraw/zinc/14/02/58/169140258.db2.gz MEMVWUORWNBHRS-GSVOUGTGSA-N 2 0 190.297 0.253 50 0 ACAARP NC(=[NH2+])c1ccc(C[NH3+])cc1 4202450 169140886 /nfs/dbraw/zinc/14/08/86/169140886.db2.gz CHOGNBXWAZDZBM-UHFFFAOYSA-N 2 0 149.197 0.429 50 0 in-vitro ACAARP NC(=[NH2+])c1cccc(C[NH3+])c1 2549343 169141247 /nfs/dbraw/zinc/14/12/47/169141247.db2.gz IXEKVJHHZCSSAI-UHFFFAOYSA-N 2 0 149.197 0.429 50 0 in-vitro ACAARP [NH3+]C[C@H]1C[C@H]2CCCC[N@@H+]2C1 101419550 169216833 /nfs/dbraw/zinc/21/68/33/169216833.db2.gz XIGLLLYLIZSLNU-RKDXNWHRSA-N 2 0 154.257 0.820 50 0 in-vitro ACAARP [NH3+]C1(CC2CC2)CC[NH2+]CC1 96029482 169169393 /nfs/dbraw/zinc/16/93/93/169169393.db2.gz RGKJWJHHELMHLI-UHFFFAOYSA-N 2 0 154.257 0.867 50 0 ACAARP [NH3+]C1(C[NH+]2CCCC2)CC1 74934379 169169746 /nfs/dbraw/zinc/16/97/46/169169746.db2.gz MGCJZBYRTULQSR-UHFFFAOYSA-N 2 0 140.230 0.574 50 0 ACAARP [NH3+]C1CCC([NH3+])CC1 12363435 169171873 /nfs/dbraw/zinc/17/18/73/169171873.db2.gz VKIRRGRTJUUZHS-UHFFFAOYSA-N 2 0 114.192 0.215 50 0 in-vitro ACAARP [NH3+]C1CC([NH+]2CCCC2)C1 78725011 169172072 /nfs/dbraw/zinc/17/20/72/169172072.db2.gz SDCMTTFEMUUERF-UHFFFAOYSA-N 2 0 140.230 0.572 50 0 ACAARP [NH3+]C1CC2(C1)CC([NH3+])C2 5179385 169172142 /nfs/dbraw/zinc/17/21/42/169172142.db2.gz BNYSTCCWEABAPG-UHFFFAOYSA-N 2 0 126.203 0.215 50 0 in-vitro ACAARP [NH3+]C1CC([NH+]2CCCCC2)C1 83119970 169172651 /nfs/dbraw/zinc/17/26/51/169172651.db2.gz CPCFYUJKIUDIFA-UHFFFAOYSA-N 2 0 154.257 0.962 50 0 ACAARP [NH3+]C1CCC([NH+]2CCOCC2)CC1 36532633 169172725 /nfs/dbraw/zinc/17/27/25/169172725.db2.gz USUNCAQFNNEGBQ-UHFFFAOYSA-N 2 0 184.283 0.589 50 0 ACAARP [NH3+]C1[C@H]2CC[C@H]3C([NH3+])[C@@H]4CC[C@H]1[C@H]4[C@@H]23 257355791 169173444 /nfs/dbraw/zinc/17/34/44/169173444.db2.gz CRWVMKXCOPKRJS-WFMBRLGWSA-N 2 0 192.306 0.953 50 0 ACAARP [NH3+]CC1CC[NH+](C2CCOCC2)CC1 44512255 169178191 /nfs/dbraw/zinc/17/81/91/169178191.db2.gz CNAWWTRDALPJDO-UHFFFAOYSA-N 2 0 198.310 0.836 50 0 ACAARP [NH3+]CC1CCC([NH3+])CC1 2046979 169178209 /nfs/dbraw/zinc/17/82/09/169178209.db2.gz RRCZRUXYTNNVBQ-UHFFFAOYSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]CCC1CCC([NH3+])CC1 96029561 169178745 /nfs/dbraw/zinc/17/87/45/169178745.db2.gz VFGQLNVWQRKCAU-UHFFFAOYSA-N 2 0 142.246 0.853 50 0 ACAARP [NH3+]CCC1CC[NH2+]CC1 1433213 169179269 /nfs/dbraw/zinc/17/92/69/169179269.db2.gz PXJBCMWIAPDWAU-UHFFFAOYSA-N 2 0 128.219 0.335 50 0 in-vitro ACAARP [NH3+]CCC12CCC[NH+]1CCC2 34478846 169179365 /nfs/dbraw/zinc/17/93/65/169179365.db2.gz GSROTWURVBARHL-UHFFFAOYSA-N 2 0 154.257 0.964 50 0 in-vitro ACAARP [NH3+]CCCC[NH+]1CCCC1 2557094 169180177 /nfs/dbraw/zinc/18/01/77/169180177.db2.gz LSDYCEIPEBJKPT-UHFFFAOYSA-N 2 0 142.246 0.821 50 0 ACAARP [NH3+]CCCC[N@@H+]1CCC[C@H]1CO 42432744 169180282 /nfs/dbraw/zinc/18/02/82/169180282.db2.gz KVKGILOIRYSBOH-VIFPVBQESA-N 2 0 172.272 0.182 50 0 in-vitro ACAARP [NH3+]CCCCC[NH2+]CCC[NH3+] 2020054 169180408 /nfs/dbraw/zinc/18/04/08/169180408.db2.gz QZBYOYPROVGOGE-UHFFFAOYSA-N 3 0 159.277 0.054 50 0 endogenous,in-man ACAARP [NH3+]CCCCCC[NH3+] 1543408 169180449 /nfs/dbraw/zinc/18/04/49/169180449.db2.gz NAQMVNRVTILPCV-UHFFFAOYSA-N 2 0 116.208 0.464 50 0 in-vivo ACAARP [NH3+]CCCCC[NH+]1CCOCC1 4226780 169180479 /nfs/dbraw/zinc/18/04/79/169180479.db2.gz ZFJWLGSTGJGINS-UHFFFAOYSA-N 2 0 172.272 0.448 50 0 ACAARP [NH3+]CCCC[N@@H+]1CCC[C@@H]1CO 42432743 169180555 /nfs/dbraw/zinc/18/05/55/169180555.db2.gz KVKGILOIRYSBOH-SECBINFHSA-N 2 0 172.272 0.182 50 0 in-vitro ACAARP [NH3+]CCCC[NH+]1CCOCC1 1664890 169180857 /nfs/dbraw/zinc/18/08/57/169180857.db2.gz DUYYFMPMGYATPO-UHFFFAOYSA-N 2 0 158.245 0.058 50 0 ACAARP [NH3+]CCCCC[NH3+] 1529253 169181020 /nfs/dbraw/zinc/18/10/20/169181020.db2.gz VHRGRCVQAFMJIZ-UHFFFAOYSA-N 2 0 102.181 0.074 50 0 endogenous,in-man ACAARP [NH3+]CCCCCCC[NH3+] 1677577 169181455 /nfs/dbraw/zinc/18/14/55/169181455.db2.gz PWSKHLMYTZNYKO-UHFFFAOYSA-N 2 0 130.235 0.854 50 0 in-vitro ACAARP [NH3+]CCC[NH+]1CCCCC1 1733260 169181774 /nfs/dbraw/zinc/18/17/74/169181774.db2.gz JMUCXULQKPWSTJ-UHFFFAOYSA-N 2 0 142.246 0.821 50 0 ACAARP [NH3+]CCC[NH+]1CCCC1 1580145 169181829 /nfs/dbraw/zinc/18/18/29/169181829.db2.gz VPBWZBGZWHDNKL-UHFFFAOYSA-N 2 0 128.219 0.431 50 0 in-vitro ACAARP [NH3+]CCC[N@@H+]1CCCC[C@@H]1CO 6855179 169181937 /nfs/dbraw/zinc/18/19/37/169181937.db2.gz XVLFXZIUUXPZHR-SECBINFHSA-N 2 0 172.272 0.182 50 0 in-vitro ACAARP [NH3+]CCCC[C@@H](C[NH3+])CCC[NH3+] 5113187 169181960 /nfs/dbraw/zinc/18/19/60/169181960.db2.gz HMJBXEZHJUYJQY-SECBINFHSA-N 3 0 173.304 0.429 50 0 in-vitro ACAARP [NH3+]CCCC[NH2+]CCCC[NH3+] 1530408 169182158 /nfs/dbraw/zinc/18/21/58/169182158.db2.gz UODZHRGDSPLRMD-UHFFFAOYSA-N 3 0 159.277 0.054 50 0 endogenous,in-man ACAARP [NH3+]CCC[N@@H+]1CCCC[C@H]1CO 6855176 169182485 /nfs/dbraw/zinc/18/24/85/169182485.db2.gz XVLFXZIUUXPZHR-VIFPVBQESA-N 2 0 172.272 0.182 50 0 in-vitro ACAARP [NH3+]CCC[NH+]1CCC(CO)CC1 11953146 169182511 /nfs/dbraw/zinc/18/25/11/169182511.db2.gz PPNKMBNATNQODW-UHFFFAOYSA-N 2 0 172.272 0.040 50 0 in-vitro ACAARP [NH3+]CCC[N@@H+]1CCCOCC1 61914970 169182596 /nfs/dbraw/zinc/18/25/96/169182596.db2.gz VQNDWTGSBSDETB-UHFFFAOYSA-N 2 0 158.245 0.058 50 0 in-vitro ACAARP [NH3+]CCCC[C@H](C[NH3+])CCC[NH3+] 2009454 169182620 /nfs/dbraw/zinc/18/26/20/169182620.db2.gz HMJBXEZHJUYJQY-VIFPVBQESA-N 3 0 173.304 0.429 50 0 in-vitro ACAARP [NH3+]CCCC[NH2+]Cc1ccccn1 37715097 169182739 /nfs/dbraw/zinc/18/27/39/169182739.db2.gz MPQPYZYPJBRNNC-UHFFFAOYSA-N 2 0 179.267 0.910 50 0 ACAARP [NH3+]CCC[NH+]1CCC1 34469126 169182805 /nfs/dbraw/zinc/18/28/05/169182805.db2.gz YFZGXSSOURPKGL-UHFFFAOYSA-N 2 0 114.192 0.041 50 0 in-vitro ACAARP [NH3+]CCC[NH+]1CC=CC1 100653408 169182989 /nfs/dbraw/zinc/18/29/89/169182989.db2.gz UKMYYCBNKLQIPH-UHFFFAOYSA-N 2 0 126.203 0.207 50 0 in-vitro ACAARP [NH3+]CCC[NH2+]Cc1cccnc1 19736873 169183252 /nfs/dbraw/zinc/18/32/52/169183252.db2.gz IFZYTBAJJNWAKE-UHFFFAOYSA-N 2 0 165.240 0.520 50 0 ACAARP [NH3+]CCC[NH2+]C[C@H]1CCCO1 19736908 169183279 /nfs/dbraw/zinc/18/32/79/169183279.db2.gz FRHMZKCHHVUGRD-MRVPVSSYSA-N 2 0 158.245 0.104 50 0 ACAARP [NH3+]CCC[NH2+]C1CCC([NH3+])CC1 13550046 169183575 /nfs/dbraw/zinc/18/35/75/169183575.db2.gz QIMPCSMJRMPRJC-UHFFFAOYSA-N 3 0 171.288 0.195 50 0 in-vitro ACAARP [NH3+]CCCNc1cc[nH+]cc1 19435102 169184012 /nfs/dbraw/zinc/18/40/12/169184012.db2.gz CAJZWZJZDWIWJT-UHFFFAOYSA-N 2 0 151.213 0.842 50 0 in-vitro ACAARP [NH3+]CCC[NH+]1CCSCC1 2513801 169184047 /nfs/dbraw/zinc/18/40/47/169184047.db2.gz RECTZHBMZRYGEN-UHFFFAOYSA-N 2 0 160.286 0.384 50 0 in-vitro ACAARP [NH3+]CCC[NH2+]C[C@@H]1CCCO1 19736907 169184131 /nfs/dbraw/zinc/18/41/31/169184131.db2.gz FRHMZKCHHVUGRD-QMMMGPOBSA-N 2 0 158.245 0.104 50 0 ACAARP [NH3+]CCCSC1=[NH+]CCCN1 4388916 169184712 /nfs/dbraw/zinc/18/47/12/169184712.db2.gz YPCOJUAVYIGETB-UHFFFAOYSA-N 2 0 173.285 0.418 50 0 ACAARP [NH3+]CCC[C@@H]([NH3+])c1ccccn1 6732094 169185056 /nfs/dbraw/zinc/18/50/56/169185056.db2.gz JPEKECSPVXJPOL-MRVPVSSYSA-N 2 0 165.240 0.820 50 0 ACAARP [NH3+]CCNc1cc[nH+]cc1 15443014 169189326 /nfs/dbraw/zinc/18/93/26/169189326.db2.gz HWVWEGOXLGPYDB-UHFFFAOYSA-N 2 0 137.186 0.452 50 0 in-vitro ACAARP [NH3+]CCNCC[NH+]1CCCCC1 22027818 169189621 /nfs/dbraw/zinc/18/96/21/169189621.db2.gz QOAHNQKCWITUJK-UHFFFAOYSA-N 2 0 171.288 0.021 50 0 ACAARP [NH3+]CCNCC[NH+]1CCCCCC1 49474821 169190747 /nfs/dbraw/zinc/19/07/47/169190747.db2.gz MIWYRODJVLGMCR-UHFFFAOYSA-N 2 0 185.315 0.411 50 0 ACAARP [NH3+]CCOCC[NH+]1CCCC1 32005831 169191931 /nfs/dbraw/zinc/19/19/31/169191931.db2.gz AUDLLYZCECVNGJ-UHFFFAOYSA-N 2 0 158.245 0.058 50 0 in-vitro ACAARP [NH3+]CCSCCSCC[NH3+] 33902860 169192147 /nfs/dbraw/zinc/19/21/47/169192147.db2.gz JFODQDKKGQHJBB-UHFFFAOYSA-N 2 0 180.342 0.370 50 0 ACAARP [NH3+]CCOc1ccccc1OCC[NH3+] 2470960 169192168 /nfs/dbraw/zinc/19/21/68/169192168.db2.gz HMAWLSAOFCZZJX-UHFFFAOYSA-N 2 0 196.250 0.362 50 0 in-vitro ACAARP [NH3+]CCOc1ccc(OCC[NH3+])cc1 30834310 169192184 /nfs/dbraw/zinc/19/21/84/169192184.db2.gz WBVRBDYCSNZULV-UHFFFAOYSA-N 2 0 196.250 0.362 50 0 in-vitro ACAARP [NH3+]CCOCC[NH+]1CCCCC1 32006666 169192221 /nfs/dbraw/zinc/19/22/21/169192221.db2.gz WRDVFCGTKXQHPL-UHFFFAOYSA-N 2 0 172.272 0.448 50 0 in-vitro ACAARP [NH3+]CCSC[C@H]1C[NH2+]CCS1 252479528 169192271 /nfs/dbraw/zinc/19/22/71/169192271.db2.gz BHDCXRUPPBPJBS-SSDOTTSWSA-N 2 0 192.353 0.383 50 0 ACAARP [NH3+]CCSC[C@@H]1C[NH2+]CCS1 252479529 169192360 /nfs/dbraw/zinc/19/23/60/169192360.db2.gz BHDCXRUPPBPJBS-ZETCQYMHSA-N 2 0 192.353 0.383 50 0 ACAARP [NH3+]CC[C@@H](O)C[NH+]1CCCCC1 71496713 169193355 /nfs/dbraw/zinc/19/33/55/169193355.db2.gz KZOHTWQVTOIXNJ-SECBINFHSA-N 2 0 172.272 0.182 50 0 ACAARP [NH3+]CC[C@@H]1CCC[NH2+]1 13885583 169193658 /nfs/dbraw/zinc/19/36/58/169193658.db2.gz MCULVESJRLLZOP-LURJTMIESA-N 2 0 114.192 0.087 50 0 ACAARP [NH3+]CC[C@H](O)C[NH+]1CCCCC1 71496715 169193889 /nfs/dbraw/zinc/19/38/89/169193889.db2.gz KZOHTWQVTOIXNJ-VIFPVBQESA-N 2 0 172.272 0.182 50 0 ACAARP [NH3+]CC[C@@H]1CCC[NH2+]C1 4202875 169194123 /nfs/dbraw/zinc/19/41/23/169194123.db2.gz JJMGBQYNPQTPPB-ZETCQYMHSA-N 2 0 128.219 0.335 50 0 in-vitro ACAARP [NH3+]CC[C@H]1CCC[NH2+]1 3786629 169195505 /nfs/dbraw/zinc/19/55/05/169195505.db2.gz MCULVESJRLLZOP-ZCFIWIBFSA-N 2 0 114.192 0.087 50 0 ACAARP [NH3+]CC[C@H]1CCC[NH2+]C1 4202874 169195695 /nfs/dbraw/zinc/19/56/95/169195695.db2.gz JJMGBQYNPQTPPB-SSDOTTSWSA-N 2 0 128.219 0.335 50 0 in-vitro ACAARP [NH3+]CCc1ccc(CC[NH3+])cc1 3845286 169198169 /nfs/dbraw/zinc/19/81/69/169198169.db2.gz FVHFDNYRMIWPRS-UHFFFAOYSA-N 2 0 164.252 0.689 50 0 ACAARP [NH3+]CCc1[nH+]cc2ccccn12 20236844 169199868 /nfs/dbraw/zinc/19/98/68/169199868.db2.gz BXQYDJCQKZDDDU-UHFFFAOYSA-N 2 0 161.208 0.836 50 0 in-vitro ACAARP [NH3+]C[C@@H](O)C[NH+]1CCCCCC1 19685114 169203340 /nfs/dbraw/zinc/20/33/40/169203340.db2.gz UFQOSDAWMDMNMM-SECBINFHSA-N 2 0 172.272 0.182 50 0 in-vitro ACAARP [NH3+]C[C@@H](O)C[NH2+]CCc1ccccc1 3683767 169204864 /nfs/dbraw/zinc/20/48/64/169204864.db2.gz AXDFSDRNUWNIJC-LLVKDONJSA-N 2 0 194.278 0.138 50 0 ACAARP [NH3+]C[C@@H](O)C[NH2+]Cc1ccccc1 71498514 169205148 /nfs/dbraw/zinc/20/51/48/169205148.db2.gz XTXWUNXDOGGJCE-SNVBAGLBSA-N 2 0 180.251 0.096 50 0 ACAARP [NH3+]C[C@@H]1CCCC[C@@H]1[NH3+] 5842565 169206096 /nfs/dbraw/zinc/20/60/96/169206096.db2.gz ZUYYQGFCSKJGDO-BQBZGAKWSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]C[C@@H]1CC=CC[C@@H]1[NH3+] 32098938 169206539 /nfs/dbraw/zinc/20/65/39/169206539.db2.gz JDSRZTSRTLZLQW-BQBZGAKWSA-N 2 0 126.203 0.239 50 0 in-vitro ACAARP [NH3+]C[C@@H]1CCCC[NH2+]C1 39351810 169206559 /nfs/dbraw/zinc/20/65/59/169206559.db2.gz WZBNHSASADXESL-ZETCQYMHSA-N 2 0 128.219 0.335 50 0 in-vitro ACAARP [NH3+]C[C@@H]1CCC[C@@H](C[NH3+])C1 406904 169207470 /nfs/dbraw/zinc/20/74/70/169207470.db2.gz QLBRROYTTDFLDX-HTQZYQBOSA-N 2 0 142.246 0.710 50 0 in-vitro ACAARP [NH3+]C[C@@H]1CCC[C@H]([NH3+])C1 49588209 169207612 /nfs/dbraw/zinc/20/76/12/169207612.db2.gz OEFAIWKFALHMEY-RQJHMYQMSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]C[C@@H]1CC[N@@H+](C2CC2)C1 11891193 169207982 /nfs/dbraw/zinc/20/79/82/169207982.db2.gz SEWUODUTOWYMCK-ZETCQYMHSA-N 2 0 140.230 0.429 50 0 in-vitro ACAARP [NH3+]C[C@@H]1CCC[C@@H]([NH3+])C1 49588205 169208023 /nfs/dbraw/zinc/20/80/23/169208023.db2.gz OEFAIWKFALHMEY-RNFRBKRXSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccn2)C1 19480178 169208217 /nfs/dbraw/zinc/20/82/17/169208217.db2.gz OGCLVZXMPJFMIQ-JTQLQIEISA-N 2 0 191.278 0.862 50 0 ACAARP [NH3+]C[C@@H]1CCCC[C@H]1[NH3+] 5843214 169208282 /nfs/dbraw/zinc/20/82/82/169208282.db2.gz ZUYYQGFCSKJGDO-NKWVEPMBSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]C[C@@H]1CCC[C@@H]1[NH3+] 1726308 169208401 /nfs/dbraw/zinc/20/84/01/169208401.db2.gz SRGQQZYVZFJYHJ-WDSKDSINSA-N 2 0 114.192 0.073 50 0 ACAARP [NH3+]C[C@@H]1CCC[C@H]1[NH3+] 1726309 169208783 /nfs/dbraw/zinc/20/87/83/169208783.db2.gz SRGQQZYVZFJYHJ-NTSWFWBYSA-N 2 0 114.192 0.073 50 0 ACAARP [NH3+]C[C@@H]1CCC[N@@H+](C2CCOCC2)C1 44528005 169208808 /nfs/dbraw/zinc/20/88/08/169208808.db2.gz BWICHFBSFLKTIW-JTQLQIEISA-N 2 0 198.310 0.836 50 0 ACAARP [NH3+]C[C@@H]1C[NH+]2CCC1CC2 37245636 169209439 /nfs/dbraw/zinc/20/94/39/169209439.db2.gz NLSCFLSNWRVGLP-MRVPVSSYSA-N 2 0 140.230 0.287 50 0 in-vitro ACAARP [NH3+]C[C@@H]1C[NH2+]Cc2ccccc21 29347291 169209613 /nfs/dbraw/zinc/20/96/13/169209613.db2.gz RAORDGYAVGAPFQ-SECBINFHSA-N 2 0 162.236 0.832 50 0 ACAARP [NH3+]C[C@@H]1C[C@H]2CCCC[N@@H+]2C1 101419546 169210630 /nfs/dbraw/zinc/21/06/30/169210630.db2.gz XIGLLLYLIZSLNU-DTWKUNHWSA-N 2 0 154.257 0.820 50 0 in-vitro ACAARP [NH3+]C[C@H](O)C[NH+]1CCCCCC1 19685115 169212379 /nfs/dbraw/zinc/21/23/79/169212379.db2.gz UFQOSDAWMDMNMM-VIFPVBQESA-N 2 0 172.272 0.182 50 0 in-vitro ACAARP [NH3+]C[C@H](O)C[NH2+]CCc1ccccc1 2468873 169212467 /nfs/dbraw/zinc/21/24/67/169212467.db2.gz AXDFSDRNUWNIJC-NSHDSACASA-N 2 0 194.278 0.138 50 0 ACAARP [NH3+]C[C@H](O)C[NH2+]Cc1ccccc1 71498516 169213208 /nfs/dbraw/zinc/21/32/08/169213208.db2.gz XTXWUNXDOGGJCE-JTQLQIEISA-N 2 0 180.251 0.096 50 0 ACAARP [NH3+]C[C@H]1CCCC[C@@H]1[NH3+] 5842663 169214742 /nfs/dbraw/zinc/21/47/42/169214742.db2.gz ZUYYQGFCSKJGDO-RQJHMYQMSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]C[C@H]1CCC[N@@H+](C2CCOCC2)C1 44528004 169214762 /nfs/dbraw/zinc/21/47/62/169214762.db2.gz BWICHFBSFLKTIW-SNVBAGLBSA-N 2 0 198.310 0.836 50 0 ACAARP [NH3+]C[C@H]1CCCC[C@H]1[NH3+] 5843329 169214891 /nfs/dbraw/zinc/21/48/91/169214891.db2.gz ZUYYQGFCSKJGDO-RNFRBKRXSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]C[C@H]1CCCC[NH2+]C1 39351811 169215030 /nfs/dbraw/zinc/21/50/30/169215030.db2.gz WZBNHSASADXESL-SSDOTTSWSA-N 2 0 128.219 0.335 50 0 in-vitro ACAARP [NH3+]C[C@H]1CCC[C@@H]1[NH3+] 1726310 169215784 /nfs/dbraw/zinc/21/57/84/169215784.db2.gz SRGQQZYVZFJYHJ-RITPCOANSA-N 2 0 114.192 0.073 50 0 ACAARP [NH3+]C[C@H]1CCC[C@H]([NH3+])C1 49588207 169215886 /nfs/dbraw/zinc/21/58/86/169215886.db2.gz OEFAIWKFALHMEY-BQBZGAKWSA-N 2 0 128.219 0.463 50 0 in-vitro ACAARP [NH3+]C[C@H]1CC[C@@H](C[NH3+])C1 96034415 169215929 /nfs/dbraw/zinc/21/59/29/169215929.db2.gz HTALOEFRFXMCFB-KNVOCYPGSA-N 2 0 128.219 0.320 50 0 ACAARP [NH3+]C[C@H]1CC[C@H](C[NH3+])CC1 102204862 169216335 /nfs/dbraw/zinc/21/63/35/169216335.db2.gz OXIKYYJDTWKERT-OCAPTIKFSA-N 2 0 142.246 0.710 50 0 ACAARP [NH3+]C[C@H]1CCC[C@@H](C[NH3+])C1 406903 169216484 /nfs/dbraw/zinc/21/64/84/169216484.db2.gz QLBRROYTTDFLDX-OCAPTIKFSA-N 2 0 142.246 0.710 50 0 in-vitro ACAARP [NH3+]Cc1cc(C[NH3+])cc(C[NH3+])c1 27518521 169218484 /nfs/dbraw/zinc/21/84/84/169218484.db2.gz IDWDEHYPSCTKFU-UHFFFAOYSA-N 3 0 165.240 0.063 50 0 in-vitro ACAARP [NH3+]Cc1ccc(C[NH3+])cc1 12359926 169221666 /nfs/dbraw/zinc/22/16/66/169221666.db2.gz ISKQADXMHQSTHK-UHFFFAOYSA-N 2 0 136.198 0.604 50 0 in-vitro ACAARP [NH3+]Cc1ccc(C[NH3+])c(F)c1 50285696 169221674 /nfs/dbraw/zinc/22/16/74/169221674.db2.gz WTBVROLKSYLUAV-UHFFFAOYSA-N 2 0 154.188 0.743 50 0 in-vitro ACAARP [NH3+]Cc1ccc(C[NH3+])o1 22052187 169222900 /nfs/dbraw/zinc/22/29/00/169222900.db2.gz VKLGKDZCKSMSHG-UHFFFAOYSA-N 2 0 126.159 0.197 50 0 in-vitro ACAARP [NH3+]Cc1cccc(C[NH3+])c1 57045 169224437 /nfs/dbraw/zinc/22/44/37/169224437.db2.gz FDLQZKYLHJJBHD-UHFFFAOYSA-N 2 0 136.198 0.604 50 0 in-vitro ACAARP [NH3+]Cc1ccccc1C[NH3+] 6567878 169224868 /nfs/dbraw/zinc/22/48/68/169224868.db2.gz GKXVJHDEWHKBFH-UHFFFAOYSA-N 2 0 136.198 0.604 50 0 in-vitro ACAARP [NH3+][C@@H](C1CC1)[C@@H]([NH3+])C1CC1 98042889 169243057 /nfs/dbraw/zinc/24/30/57/169243057.db2.gz CDLQVSKJOZENHM-YUMQZZPRSA-N 2 0 140.230 0.461 50 0 ACAARP [NH3+][C@@H]1CCCC[C@H]1[NH3+] 38174297 169251697 /nfs/dbraw/zinc/25/16/97/169251697.db2.gz SSJXIUAHEKJCMH-PHDIDXHHSA-N 2 0 114.192 0.215 50 0 world ACAARP [NH3+][C@@H]1CCCC[NH2+]C1 38337175 169251709 /nfs/dbraw/zinc/25/17/09/169251709.db2.gz WJUBYASTGWKFHK-ZCFIWIBFSA-N 2 0 114.192 0.087 50 0 in-vitro ACAARP [NH3+][C@@H]1CCC[NH2+]CC1 6691891 169252344 /nfs/dbraw/zinc/25/23/44/169252344.db2.gz ZRNRPJNPCUSWGU-ZCFIWIBFSA-N 2 0 114.192 0.087 50 0 in-vitro ACAARP [NH3+][C@@H]1CCC[C@@H]([NH3+])C1 2026988 169252678 /nfs/dbraw/zinc/25/26/78/169252678.db2.gz GEQHKFFSPGPGLN-PHDIDXHHSA-N 2 0 114.192 0.215 50 0 in-vitro ACAARP [NH3+][C@@H]1CC[N@@H+]2CCC[C@@H]12 22923629 169253868 /nfs/dbraw/zinc/25/38/68/169253868.db2.gz NEZWZGLYKBFCQX-RQJHMYQMSA-N 2 0 126.203 0.182 50 0 in-vitro ACAARP [NH3+][C@@H]1CC[NH2+]C2(CCC2)C1 20285655 169253922 /nfs/dbraw/zinc/25/39/22/169253922.db2.gz OPLQNSCSJKGABY-SSDOTTSWSA-N 2 0 140.230 0.620 50 0 ACAARP [NH3+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 18505213 169253930 /nfs/dbraw/zinc/25/39/30/169253930.db2.gz UYVABMTWTWPWFG-HTQZYQBOSA-N 2 0 140.230 0.572 50 0 in-vitro ACAARP [NH3+][C@@H]1CC[N@@H+]2CCCC[C@H]2C1 34689345 169254328 /nfs/dbraw/zinc/25/43/28/169254328.db2.gz QTYYLKWVPVUNET-BDAKNGLRSA-N 2 0 154.257 0.962 50 0 in-vitro ACAARP [NH3+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 34679258 169254334 /nfs/dbraw/zinc/25/43/34/169254334.db2.gz UYVABMTWTWPWFG-SFYZADRCSA-N 2 0 140.230 0.572 50 0 in-vitro ACAARP [NH3+][C@@H]1CC[N@@H+]2CCCC[C@@H]2C1 19483461 169254640 /nfs/dbraw/zinc/25/46/40/169254640.db2.gz QTYYLKWVPVUNET-RKDXNWHRSA-N 2 0 154.257 0.962 50 0 in-vitro ACAARP [NH3+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 25877112 169254717 /nfs/dbraw/zinc/25/47/17/169254717.db2.gz RBFAPBHHGYLKEK-SFYZADRCSA-N 2 0 140.230 0.572 50 0 ACAARP [NH3+][C@@H]1CC[N@@H+]2CCC[C@H]12 22923624 169255053 /nfs/dbraw/zinc/25/50/53/169255053.db2.gz NEZWZGLYKBFCQX-RNFRBKRXSA-N 2 0 126.203 0.182 50 0 in-vitro ACAARP [NH3+][C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 101467013 169255140 /nfs/dbraw/zinc/25/51/40/169255140.db2.gz JZFOPNSQKQOMJZ-IWSPIJDZSA-N 2 0 154.257 0.866 50 0 ACAARP [NH3+][C@H]1CC[C@H]([NH+]2CCC(O)CC2)CC1 101001023 169255560 /nfs/dbraw/zinc/25/55/60/169255560.db2.gz VOBPNDPHDKQZIW-AOOOYVTPSA-N 2 0 198.310 0.713 50 0 ACAARP [NH3+][C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1 71373368 169255762 /nfs/dbraw/zinc/25/57/62/169255762.db2.gz JZFOPNSQKQOMJZ-YIZRAAEISA-N 2 0 154.257 0.866 50 0 ACAARP [NH3+][C@H]1CC[C@H]([NH2+]C2COC2)CC1 255187819 169256152 /nfs/dbraw/zinc/25/61/52/169256152.db2.gz GYECBXBZPBBMDS-ZKCHVHJHSA-N 2 0 170.256 0.245 50 0 ACAARP [NH3+][C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 71373367 169256184 /nfs/dbraw/zinc/25/61/84/169256184.db2.gz JZFOPNSQKQOMJZ-HLTSFMKQSA-N 2 0 154.257 0.866 50 0 ACAARP N[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 68590785 169258643 /nfs/dbraw/zinc/25/86/43/169258643.db2.gz DNWGGLVQANNAHV-SFYZADRCSA-N 2 0 140.230 0.572 50 0 in-vitro ACAARP N[C@@H]1C[C@H]2CCCC[N@@H+]2C1 101383615 169260119 /nfs/dbraw/zinc/26/01/19/169260119.db2.gz DNWGGLVQANNAHV-HTQZYQBOSA-N 2 0 140.230 0.572 50 0 in-vitro ACAARP [NH3+][C@@H]1[C@H]2CC[C@H]3[C@H]([NH3+])[C@H]4CC[C@@H]1[C@@H]4[C@H]23 257355788 169261105 /nfs/dbraw/zinc/26/11/05/169261105.db2.gz CRWVMKXCOPKRJS-CPZRQDORSA-N 2 0 192.306 0.953 50 0 ACAARP [NH3+][C@@H]1[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@H](CC[C@@H]12)[C@H]3[NH3+] 257355789 169261311 /nfs/dbraw/zinc/26/13/11/169261311.db2.gz CRWVMKXCOPKRJS-KTDUUTKOSA-N 2 0 192.306 0.953 50 0 ACAARP [NH3+][C@H]1CCCC[NH2+]C1 38337176 169271754 /nfs/dbraw/zinc/27/17/54/169271754.db2.gz WJUBYASTGWKFHK-LURJTMIESA-N 2 0 114.192 0.087 50 0 in-vitro ACAARP [NH3+][C@H]1CCC[N@@H+]2CCC[C@@H]12 82410163 169271807 /nfs/dbraw/zinc/27/18/07/169271807.db2.gz SHXUPEAVNUWGDU-YUMQZZPRSA-N 2 0 140.230 0.572 50 0 ACAARP [NH3+][C@H]1CCCC[C@H]1[NH3+] 3593790 169272037 /nfs/dbraw/zinc/27/20/37/169272037.db2.gz SSJXIUAHEKJCMH-OLQVQODUSA-N 2 0 114.192 0.215 50 0 world ACAARP [NH3+][C@H]1CCCC[C@@H]1[NH3+] 38174299 169272447 /nfs/dbraw/zinc/27/24/47/169272447.db2.gz SSJXIUAHEKJCMH-WDSKDSINSA-N 2 0 114.192 0.215 50 0 world ACAARP [NH3+][C@H]1CCCCC[C@H]1[NH3+] 5842613 169272714 /nfs/dbraw/zinc/27/27/14/169272714.db2.gz DBBUVLSRTWYISN-KNVOCYPGSA-N 2 0 128.219 0.605 50 0 ACAARP [NH3+][C@H]1CCC[NH2+]CC1 6691886 169272809 /nfs/dbraw/zinc/27/28/09/169272809.db2.gz ZRNRPJNPCUSWGU-LURJTMIESA-N 2 0 114.192 0.087 50 0 in-vitro ACAARP [NH3+][C@H]1CCC[C@H]([NH3+])C1 2026992 169273396 /nfs/dbraw/zinc/27/33/96/169273396.db2.gz GEQHKFFSPGPGLN-WDSKDSINSA-N 2 0 114.192 0.215 50 0 in-vitro ACAARP [NH3+][C@H]1CCC[C@@H]([NH3+])C1 5848558 169273584 /nfs/dbraw/zinc/27/35/84/169273584.db2.gz GEQHKFFSPGPGLN-OLQVQODUSA-N 2 0 114.192 0.215 50 0 in-vitro ACAARP [NH3+][C@H]1CC[N@@H+]2CCCC[C@@H]12 25877115 169274111 /nfs/dbraw/zinc/27/41/11/169274111.db2.gz RBFAPBHHGYLKEK-YUMQZZPRSA-N 2 0 140.230 0.572 50 0 ACAARP [NH3+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 18505215 169274409 /nfs/dbraw/zinc/27/44/09/169274409.db2.gz UYVABMTWTWPWFG-JGVFFNPUSA-N 2 0 140.230 0.572 50 0 in-vitro ACAARP [NH3+][C@H]1CC[N@@H+]2CCCC[C@H]2C1 34689344 169274655 /nfs/dbraw/zinc/27/46/55/169274655.db2.gz QTYYLKWVPVUNET-IUCAKERBSA-N 2 0 154.257 0.962 50 0 in-vitro ACAARP [NH3+][C@H]1CC[N@@H+]2CCC[C@@H]12 23352117 169274815 /nfs/dbraw/zinc/27/48/15/169274815.db2.gz NEZWZGLYKBFCQX-BQBZGAKWSA-N 2 0 126.203 0.182 50 0 in-vitro ACAARP [NH3+][C@H]1CC[N@@H+]2CCC[C@H]12 36378436 169274958 /nfs/dbraw/zinc/27/49/58/169274958.db2.gz NEZWZGLYKBFCQX-NKWVEPMBSA-N 2 0 126.203 0.182 50 0 in-vitro ACAARP [NH3+][C@H]1CC[N@@H+]2CCCC[C@@H]2C1 19483462 169275176 /nfs/dbraw/zinc/27/51/76/169275176.db2.gz QTYYLKWVPVUNET-DTWKUNHWSA-N 2 0 154.257 0.962 50 0 in-vitro ACAARP [NH3+][C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 100468694 169275462 /nfs/dbraw/zinc/27/54/62/169275462.db2.gz USUNCAQFNNEGBQ-MGCOHNPYSA-N 2 0 184.283 0.589 50 0 ACAARP [NH3+][C@H]1CC[C@H]([NH3+])CC1 100003503 169275970 /nfs/dbraw/zinc/27/59/70/169275970.db2.gz VKIRRGRTJUUZHS-OLQVQODUSA-N 2 0 114.192 0.215 50 0 in-vitro ACAARP [NH3+][C@H]1CC[C@@H]([NH+]2CCC(O)CC2)CC1 238689164 169276240 /nfs/dbraw/zinc/27/62/40/169276240.db2.gz VOBPNDPHDKQZIW-MGCOHNPYSA-N 2 0 198.310 0.713 50 0 ACAARP [NH3+][C@H]1CC[C@@H]([NH3+])CC1 100009660 169276280 /nfs/dbraw/zinc/27/62/80/169276280.db2.gz VKIRRGRTJUUZHS-IZLXSQMJSA-N 2 0 114.192 0.215 50 0 in-vitro ACAARP [NH3+][C@H]1COC[C@@H]1N1CCCCC1 29866010 169277228 /nfs/dbraw/zinc/27/72/28/169277228.db2.gz LIVAHWSHBPBTDT-IUCAKERBSA-N 2 0 170.256 0.198 50 0 in-vitro ACAARP [NH3+][C@H]1CNCc2ccccc21 20971897 169277652 /nfs/dbraw/zinc/27/76/52/169277652.db2.gz NMDRYJXTOWQUBS-VIFPVBQESA-N 2 0 148.209 0.790 50 0 ACAARP N[C@H]1C[C@H]2CCCC[N@@H+]2C1 101383618 169279104 /nfs/dbraw/zinc/27/91/04/169279104.db2.gz DNWGGLVQANNAHV-JGVFFNPUSA-N 2 0 140.230 0.572 50 0 in-vitro ACAARP [NH3+][C@H]1[C@H]2CC[C@H]3[C@H]2[C@@H]2[C@@H]1CC[C@H]2[C@@H]3[NH3+] 257355790 169280297 /nfs/dbraw/zinc/28/02/97/169280297.db2.gz CRWVMKXCOPKRJS-TVBNVHSDSA-N 2 0 192.306 0.953 50 0 ACAARP Nc1[nH+]ccn1-c1cc[nH+]cc1 75843682 169309737 /nfs/dbraw/zinc/30/97/37/169309737.db2.gz GXJPWSHAXPSBRL-UHFFFAOYSA-N 2 0 160.180 0.850 50 0 ACAARP [NH3+]C[C@H]1C[C@@H]2CCCC[N@@H+]2C1 68575820 169217139 /nfs/dbraw/zinc/21/71/39/169217139.db2.gz XIGLLLYLIZSLNU-BDAKNGLRSA-N 2 0 154.257 0.820 50 0 in-vitro ACAARP [NH3+]C[C@H]1C[NH2+]Cc2ccccc21 29347293 169217245 /nfs/dbraw/zinc/21/72/45/169217245.db2.gz RAORDGYAVGAPFQ-VIFPVBQESA-N 2 0 162.236 0.832 50 0 ACAARP [NH3+]C[C@H]1C[NH+]2CCC1CC2 37245638 169217547 /nfs/dbraw/zinc/21/75/47/169217547.db2.gz NLSCFLSNWRVGLP-QMMMGPOBSA-N 2 0 140.230 0.287 50 0 in-vitro ACAARP O[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 42783391 169445180 /nfs/dbraw/zinc/44/51/80/169445180.db2.gz GELMPGZBWGOERF-LLVKDONJSA-N 2 0 198.310 0.443 50 0 ACAARP C[NH+]1CCC([NH3+])CC1 1529080 170997317 /nfs/dbraw/zinc/99/73/17/170997317.db2.gz ALOCUZOKRULSAA-UHFFFAOYSA-N 2 0 114.192 0.039 50 0 in-vitro ACAARP C[NH+](C)CCOCC[NH+](C)C 1701975 171001607 /nfs/dbraw/zinc/00/16/07/171001607.db2.gz GTEXIOINCJRBIO-UHFFFAOYSA-N 2 0 160.261 0.126 50 0 ACAARP Cc1ccccc1NC(=[NH2+])NC(N)=[NH2+] 3875632 171010481 /nfs/dbraw/zinc/01/04/81/171010481.db2.gz SQZCAOHYQSOZCE-UHFFFAOYSA-N 2 0 191.238 0.825 50 0 in-vitro ACAARP C[n+]1ccc(-[n+]2ccccc2)cc1 4826574 171014517 /nfs/dbraw/zinc/01/45/17/171014517.db2.gz URXKLKHHSLPTLV-UHFFFAOYSA-N 2 0 172.231 0.788 50 0 ACAARP [NH3+]C[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C[NH3+] 5134729 171015417 /nfs/dbraw/zinc/01/54/17/171015417.db2.gz RPYFJVIASOJLJS-OJOKCITNSA-N 2 0 154.257 0.566 50 0 in-vitro ACAARP [NH3+]C[C@H]1[C@H]2CC[C@H](C2)[C@H]1C[NH3+] 5134539 171015676 /nfs/dbraw/zinc/01/56/76/171015676.db2.gz RPYFJVIASOJLJS-SPJNRGJMSA-N 2 0 154.257 0.566 50 0 in-vitro ACAARP [NH3+]CC1(C[NH3+])CCCC1 5839988 171018146 /nfs/dbraw/zinc/01/81/46/171018146.db2.gz CSMSTXROIMQHME-UHFFFAOYSA-N 2 0 128.219 0.464 50 0 ACAARP [NH3+]CC1(C[NH3+])CCC1 5839707 171018439 /nfs/dbraw/zinc/01/84/39/171018439.db2.gz OBEQILXWAPILBH-UHFFFAOYSA-N 2 0 114.192 0.074 50 0 in-vitro ACAARP C1C[NH2+]C[C@@H]([C@@H]2CCC[NH2+]2)C1 5848511 171019048 /nfs/dbraw/zinc/01/90/48/171019048.db2.gz QLTZNGNUWYPOSS-IUCAKERBSA-N 2 0 154.257 0.738 50 0 ACAARP C1C[NH2+]C[C@@H]([C@H]2CCC[NH2+]2)C1 5848520 171019146 /nfs/dbraw/zinc/01/91/46/171019146.db2.gz QLTZNGNUWYPOSS-DTWKUNHWSA-N 2 0 154.257 0.738 50 0 ACAARP COC(=N)CC(=N)OC 5996697 171019174 /nfs/dbraw/zinc/01/91/74/171019174.db2.gz AQVMGRVHEOWKRT-UHFFFAOYSA-N 2 0 130.147 0.624 50 0 ACAARP [NH3+]C1CC[NH+](C2CC2)CC1 8939943 171022346 /nfs/dbraw/zinc/02/23/46/171022346.db2.gz XQRNOQYMHPJDCY-UHFFFAOYSA-N 2 0 140.230 0.572 50 0 in-vitro ACAARP [NH3+]C1CC[NH+](CC2CC2)CC1 11729457 171023999 /nfs/dbraw/zinc/02/39/99/171023999.db2.gz SIKNYOSYSBEMJG-UHFFFAOYSA-N 2 0 154.257 0.820 50 0 in-vitro ACAARP OC1(C[NH+]2CCCC2)CC[NH2+]CC1 19093120 171033425 /nfs/dbraw/zinc/03/34/25/171033425.db2.gz KVPDUDGJCYNUMH-UHFFFAOYSA-N 2 0 184.283 0.197 50 0 in-vitro ACAARP [NH3+]CC1(C[NH+]2CCCC2)CC1 19092435 171033490 /nfs/dbraw/zinc/03/34/90/171033490.db2.gz HKRKCEYPGZUQAP-UHFFFAOYSA-N 2 0 154.257 0.821 50 0 in-vitro ACAARP [NH3+]CC1([NH3+])CCCCC1 19369235 171034074 /nfs/dbraw/zinc/03/40/74/171034074.db2.gz QCDMSCUTQSXHCU-UHFFFAOYSA-N 2 0 128.219 0.607 50 0 in-vitro ACAARP C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 19637149 171035273 /nfs/dbraw/zinc/03/52/73/171035273.db2.gz RFWAAXNLVJXFQD-UHFFFAOYSA-N 2 0 197.326 0.328 50 0 ACAARP OC1(C[NH+]2CCCCC2)CC[NH2+]CC1 19685491 171035363 /nfs/dbraw/zinc/03/53/63/171035363.db2.gz FDHAGNDXYZLCIK-UHFFFAOYSA-N 2 0 198.310 0.587 50 0 ACAARP [NH3+]C1CC[NH+](C[C@@H]2CCCO2)CC1 20160250 171037515 /nfs/dbraw/zinc/03/75/15/171037515.db2.gz RQYQSHZQUNROJX-JTQLQIEISA-N 2 0 184.283 0.589 50 0 ACAARP [NH3+]C1CC[NH+](C[C@H]2CCCO2)CC1 20160252 171038114 /nfs/dbraw/zinc/03/81/14/171038114.db2.gz RQYQSHZQUNROJX-SNVBAGLBSA-N 2 0 184.283 0.589 50 0 ACAARP [NH3+]C1CC[NH+](C[C@@H]2CCOC2)CC1 20521431 171040127 /nfs/dbraw/zinc/04/01/27/171040127.db2.gz WEBTUQJFKGRYNY-VIFPVBQESA-N 2 0 184.283 0.446 50 0 in-vitro ACAARP [NH3+]C1CC[NH+](C[C@H]2CCOC2)CC1 20521432 171040316 /nfs/dbraw/zinc/04/03/16/171040316.db2.gz WEBTUQJFKGRYNY-SECBINFHSA-N 2 0 184.283 0.446 50 0 in-vitro ACAARP C[NH+]1CCC(N2CCC([NH3+])CC2)CC1 20521644 171040720 /nfs/dbraw/zinc/04/07/20/171040720.db2.gz YVDWTMIIEURGAN-UHFFFAOYSA-N 2 0 197.326 0.504 50 0 in-vitro ACAARP C[N@@H+]1CCCC[C@@H]1CN1CC[NH2+]CC1 22028407 171042129 /nfs/dbraw/zinc/04/21/29/171042129.db2.gz IIPVEBCCKBYRMM-LLVKDONJSA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP C1C[NH2+]C[C@@H]2CCC[N@H+]2C1 23093924 171043234 /nfs/dbraw/zinc/04/32/34/171043234.db2.gz QBNOLQLKVNGFCG-QMMMGPOBSA-N 2 0 140.230 0.444 50 0 in-vitro ACAARP [NH3+]C1CC[NH+](C2CCC2)CC1 32625187 171050277 /nfs/dbraw/zinc/05/02/77/171050277.db2.gz UBNBYBKLFIIGJX-UHFFFAOYSA-N 2 0 154.257 0.962 50 0 ACAARP [NH3+]CC(C[NH3+])c1ccccc1 32252046 171050884 /nfs/dbraw/zinc/05/08/84/171050884.db2.gz JSDVLFNPSDTHGJ-UHFFFAOYSA-N 2 0 150.225 0.688 50 0 in-vitro ACAARP C[NH+]1CCC(OCCC[NH3+])CC1 32919547 171050913 /nfs/dbraw/zinc/05/09/13/171050913.db2.gz HGEPLOCABPMNDO-UHFFFAOYSA-N 2 0 172.272 0.446 50 0 in-vitro ACAARP C1C[NH2+]CC2(C1)CCC[NH2+]C2 33427064 171051733 /nfs/dbraw/zinc/05/17/33/171051733.db2.gz BCDGPDCQBUYTMH-UHFFFAOYSA-N 2 0 154.257 0.740 50 0 in-vitro ACAARP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+]CC1 33558982 171051785 /nfs/dbraw/zinc/05/17/85/171051785.db2.gz IIPVEBCCKBYRMM-NSHDSACASA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP C[NH+]1CCC2(CC1)C[NH2+]C2 34596246 171056361 /nfs/dbraw/zinc/05/63/61/171056361.db2.gz QOIARYNCRPZCTG-UHFFFAOYSA-N 2 0 140.230 0.302 50 0 ACAARP [NH3+]C1CC[NH+](C2CCOCC2)CC1 36305027 171060447 /nfs/dbraw/zinc/06/04/47/171060447.db2.gz BFEWWTCNTUFKDX-UHFFFAOYSA-N 2 0 184.283 0.589 50 0 in-vitro ACAARP [NH3+]CC1([NH+]2CCCC2)CCOCC1 36304764 171060679 /nfs/dbraw/zinc/06/06/79/171060679.db2.gz IYCPWSGUSDEAPB-UHFFFAOYSA-N 2 0 184.283 0.590 50 0 in-vitro ACAARP C[NH+](C)CCOC1CC[NH2+]CC1 36963151 171062314 /nfs/dbraw/zinc/06/23/14/171062314.db2.gz ORJPWJFJDSFGEY-UHFFFAOYSA-N 2 0 172.272 0.317 50 0 in-vitro ACAARP [NH3+]CC1([NH3+])CCCC1 37116237 171062892 /nfs/dbraw/zinc/06/28/92/171062892.db2.gz YKGDAMWMFVRGDH-UHFFFAOYSA-N 2 0 114.192 0.217 50 0 in-vitro ACAARP C[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 37267488 171063331 /nfs/dbraw/zinc/06/33/31/171063331.db2.gz CHCNNUCLNXTYFC-SECBINFHSA-N 2 0 183.299 0.114 50 0 in-vitro ACAARP C[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 37267485 171063367 /nfs/dbraw/zinc/06/33/67/171063367.db2.gz CHCNNUCLNXTYFC-VIFPVBQESA-N 2 0 183.299 0.114 50 0 in-vitro ACAARP [NH3+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 37689488 171065204 /nfs/dbraw/zinc/06/52/04/171065204.db2.gz KSEWRJQNDCCSEU-UWVGGRQHSA-N 2 0 184.283 0.323 50 0 ACAARP [NH3+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 37690843 171065362 /nfs/dbraw/zinc/06/53/62/171065362.db2.gz RZZMYIRPKVMLDC-MNOVXSKESA-N 2 0 198.310 0.713 50 0 in-vitro ACAARP [NH3+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 37690845 171065371 /nfs/dbraw/zinc/06/53/71/171065371.db2.gz RZZMYIRPKVMLDC-QWRGUYRKSA-N 2 0 198.310 0.713 50 0 in-vitro ACAARP [NH3+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 37690846 171065540 /nfs/dbraw/zinc/06/55/40/171065540.db2.gz RZZMYIRPKVMLDC-WDEREUQCSA-N 2 0 198.310 0.713 50 0 in-vitro ACAARP [NH3+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 37689487 171065604 /nfs/dbraw/zinc/06/56/04/171065604.db2.gz KSEWRJQNDCCSEU-NXEZZACHSA-N 2 0 184.283 0.323 50 0 ACAARP [NH3+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 37689486 171065688 /nfs/dbraw/zinc/06/56/88/171065688.db2.gz KSEWRJQNDCCSEU-VHSXEESVSA-N 2 0 184.283 0.323 50 0 ACAARP [NH3+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 37689489 171065834 /nfs/dbraw/zinc/06/58/34/171065834.db2.gz KSEWRJQNDCCSEU-ZJUUUORDSA-N 2 0 184.283 0.323 50 0 ACAARP [NH3+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 37690844 171065883 /nfs/dbraw/zinc/06/58/83/171065883.db2.gz RZZMYIRPKVMLDC-GHMZBOCLSA-N 2 0 198.310 0.713 50 0 in-vitro ACAARP [NH3+]C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C[NH3+] 39111656 171075798 /nfs/dbraw/zinc/07/57/98/171075798.db2.gz RPYFJVIASOJLJS-BZNPZCIMSA-N 2 0 154.257 0.566 50 0 in-vitro ACAARP [NH3+]CC12CCC[NH+]1CCC2 39147410 171076864 /nfs/dbraw/zinc/07/68/64/171076864.db2.gz YSMMVKXAJZFXHK-UHFFFAOYSA-N 2 0 140.230 0.574 50 0 in-vitro ACAARP C1C[NH2+]CCN(C2CC2)C1 39947652 171079313 /nfs/dbraw/zinc/07/93/13/171079313.db2.gz KZZRCKSXKSHUSD-UHFFFAOYSA-N 2 0 140.230 0.444 50 0 in-vitro ACAARP C[NH+](C)CCOc1cc(C[NH3+])ccn1 40239808 171080567 /nfs/dbraw/zinc/08/05/67/171080567.db2.gz WXPHTCBFVUEGGB-UHFFFAOYSA-N 2 0 195.266 0.481 50 0 in-vitro ACAARP C[NH+](C)CCOc1ncccc1C[NH3+] 40239810 171080688 /nfs/dbraw/zinc/08/06/88/171080688.db2.gz BRCTUPNCIKJKNJ-UHFFFAOYSA-N 2 0 195.266 0.481 50 0 in-vitro ACAARP C[NH+]1CCC(OC2CC[NH2+]CC2)CC1 41019261 171081338 /nfs/dbraw/zinc/08/13/38/171081338.db2.gz ZAWQTXGUPNQHBV-UHFFFAOYSA-N 2 0 198.310 0.849 50 0 in-vitro ACAARP C1C[NH2+]C[C@@H](CC[NH+]2CCOCC2)C1 42783345 171087010 /nfs/dbraw/zinc/08/70/10/171087010.db2.gz BYSFAURTJRJEHE-LLVKDONJSA-N 2 0 198.310 0.708 50 0 ACAARP C[NH+]1CCC2(CC1)NCCS2 43827605 171088834 /nfs/dbraw/zinc/08/88/34/171088834.db2.gz GOEBBVOXFUDAEC-UHFFFAOYSA-N 2 0 172.297 0.745 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@@H]([NH3+])CC1 44682201 171091808 /nfs/dbraw/zinc/09/18/08/171091808.db2.gz LYRZFDLVKYYDOX-SSDOTTSWSA-N 2 0 128.219 0.429 50 0 in-vitro ACAARP [NH3+]C1CC[NH+](CC2CCOCC2)CC1 52170973 171098111 /nfs/dbraw/zinc/09/81/11/171098111.db2.gz WPRDDJXDDYCXFJ-UHFFFAOYSA-N 2 0 198.310 0.836 50 0 ACAARP C[NH+]1CCC2(CC[NH2+]C2)CC1 54956921 171099599 /nfs/dbraw/zinc/09/95/99/171099599.db2.gz OULKIPPQVXRBPY-UHFFFAOYSA-N 2 0 154.257 0.692 50 0 in-vitro ACAARP C[N@@H+]1CCC2(CC[NH2+]CC2)C1 59270573 171101440 /nfs/dbraw/zinc/10/14/40/171101440.db2.gz SEXCXAIQIMWSBF-UHFFFAOYSA-N 2 0 154.257 0.692 50 0 ACAARP CN1CCC[NH2+]CC12CC[NH+](C)CC2 59270562 171101741 /nfs/dbraw/zinc/10/17/41/171101741.db2.gz IXJLTJOUBXPZHS-UHFFFAOYSA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP [NH3+]C1CC[NH+]([C@@H]2CCOC2)CC1 69606352 171105695 /nfs/dbraw/zinc/10/56/95/171105695.db2.gz QCRWDQWDIVIQCF-SECBINFHSA-N 2 0 170.256 0.198 50 0 in-vitro ACAARP [NH3+]C1CC[NH+]([C@H]2CCOC2)CC1 69606355 171105960 /nfs/dbraw/zinc/10/59/60/171105960.db2.gz QCRWDQWDIVIQCF-VIFPVBQESA-N 2 0 170.256 0.198 50 0 in-vitro ACAARP C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 70627646 171106504 /nfs/dbraw/zinc/10/65/04/171106504.db2.gz SCIGNRJWFLJIEM-JTQLQIEISA-N 2 0 168.284 0.938 50 0 ACAARP C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 70627645 171106847 /nfs/dbraw/zinc/10/68/47/171106847.db2.gz SCIGNRJWFLJIEM-SNVBAGLBSA-N 2 0 168.284 0.938 50 0 ACAARP [NH3+]CC1CC[NH+](C2COC2)CC1 71791891 171108652 /nfs/dbraw/zinc/10/86/52/171108652.db2.gz GIZLTNAJGHPXLE-UHFFFAOYSA-N 2 0 170.256 0.056 50 0 ACAARP C[NH+]1CCC2(CC1)C[C@@H]2[NH3+] 76574455 171117166 /nfs/dbraw/zinc/11/71/66/171117166.db2.gz OSJIDMBLQNTFLE-ZETCQYMHSA-N 2 0 140.230 0.429 50 0 ACAARP C[NH+]1CCC2(CC1)C[C@H]2[NH3+] 76574456 171117495 /nfs/dbraw/zinc/11/74/95/171117495.db2.gz OSJIDMBLQNTFLE-SSDOTTSWSA-N 2 0 140.230 0.429 50 0 ACAARP C[NH+]1CC2(CC[NH2+]CC2)C1 77028683 171120224 /nfs/dbraw/zinc/12/02/24/171120224.db2.gz HZIOUJPPUCIXBS-UHFFFAOYSA-N 2 0 140.230 0.302 50 0 in-vitro ACAARP C[N@@H+]1CCCC12CC[NH2+]CC2 79031366 171121401 /nfs/dbraw/zinc/12/14/01/171121401.db2.gz MHDXQGAXZKINFD-UHFFFAOYSA-N 2 0 154.257 0.834 50 0 ACAARP C[NH+]1CCC2(CCC[NH2+]2)CC1 82406863 171122629 /nfs/dbraw/zinc/12/26/29/171122629.db2.gz VUBIQWFPHPCIDO-UHFFFAOYSA-N 2 0 154.257 0.834 50 0 in-vitro ACAARP [NH3+]CC1([NH+]2CCCC2)CCC1 82632047 171123259 /nfs/dbraw/zinc/12/32/59/171123259.db2.gz DDZQQNIMNDEJIO-UHFFFAOYSA-N 2 0 154.257 0.964 50 0 ACAARP [NH3+]CC12CC[NH+](CC1)CC2 84234555 171131576 /nfs/dbraw/zinc/13/15/76/171131576.db2.gz LCFNGTOKBVGQNC-UHFFFAOYSA-N 2 0 140.230 0.431 50 0 in-vitro ACAARP [NH3+]CC1CC[NH+](C2CC2)CC1 84324777 171131820 /nfs/dbraw/zinc/13/18/20/171131820.db2.gz PVNNILOHBCABSC-UHFFFAOYSA-N 2 0 154.257 0.820 50 0 in-vitro ACAARP [NH3+]C12CCC([NH3+])(CC1)CC2 88189456 171133146 /nfs/dbraw/zinc/13/31/46/171133146.db2.gz VCEXBZCDUSJIFF-UHFFFAOYSA-N 2 0 140.230 0.749 50 0 in-vitro ACAARP [NH3+]Cc1ccc2c(c1)C[NH2+]C2 95883808 171139648 /nfs/dbraw/zinc/13/96/48/171139648.db2.gz SJMBHSUNHWDOJC-UHFFFAOYSA-N 2 0 148.209 0.749 50 0 in-vitro ACAARP Nc1[nH]c2cc(C[NH3+])ccc2[nH+]1 98096588 171142396 /nfs/dbraw/zinc/14/23/96/171142396.db2.gz WOLZVGSTWRXXIS-UHFFFAOYSA-N 2 0 162.196 0.604 50 0 ACAARP [NH3+]Cc1ccc2c[nH+]cn2c1 107157250 171149810 /nfs/dbraw/zinc/14/98/10/171149810.db2.gz XDOULCALQAMPSC-UHFFFAOYSA-N 2 0 147.181 0.793 50 0 in-vitro ACAARP C1C[NH2+]C[C@@H]([C@H]2CCC[NH2+]C2)C1 114338440 171154301 /nfs/dbraw/zinc/15/43/01/171154301.db2.gz IKNFMHZKPYNCLN-UWVGGRQHSA-N 2 0 168.284 0.986 50 0 ACAARP C[NH+](C)CCOc1cnccc1C[NH3+] 162467225 171163929 /nfs/dbraw/zinc/16/39/29/171163929.db2.gz KSNYXDUQHYONIY-UHFFFAOYSA-N 2 0 195.266 0.481 50 0 in-vitro ACAARP CN1CCOCC12CC[NH2+]CC2 82400901 171170820 /nfs/dbraw/zinc/17/08/20/171170820.db2.gz YPLWOXFRHILHDW-UHFFFAOYSA-N 2 0 170.256 0.071 50 0 ACAARP C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 82400807 171170915 /nfs/dbraw/zinc/17/09/15/171170915.db2.gz MZNCLIDEUSKTII-UHFFFAOYSA-N 2 0 170.256 0.071 50 0 in-vitro ACAARP C[NH+]1CCC(O[C@@H]2CC[NH2+]C2)CC1 252532958 171187426 /nfs/dbraw/zinc/18/74/26/171187426.db2.gz FOFLBPLTBITLGX-SNVBAGLBSA-N 2 0 184.283 0.459 50 0 ACAARP C[NH+]1CCC(O[C@H]2CC[NH2+]C2)CC1 252532957 171187630 /nfs/dbraw/zinc/18/76/30/171187630.db2.gz FOFLBPLTBITLGX-JTQLQIEISA-N 2 0 184.283 0.459 50 0 ACAARP C1C[NH2+]C[C@@H](N2CCC2)C1 23891127 171188436 /nfs/dbraw/zinc/18/84/36/171188436.db2.gz YDJSNSJKBMNVAG-QMMMGPOBSA-N 2 0 140.230 0.444 50 0 in-vitro ACAARP C[C@@H]1CC(C)(C)[C@@H](C[NH3+])[C@@H]1[NH3+] 3861413 171196721 /nfs/dbraw/zinc/19/67/21/171196721.db2.gz QKHWUKPTSMULMZ-GJMOJQLCSA-N 2 0 156.273 0.955 50 0 ACAARP C[C@@H]1CC(C)(C)[C@H](C[NH3+])[C@@H]1[NH3+] 3861411 171196935 /nfs/dbraw/zinc/19/69/35/171196935.db2.gz QKHWUKPTSMULMZ-BWZBUEFSSA-N 2 0 156.273 0.955 50 0 ACAARP C[C@@H]1CC(C)(C)[C@@H](C[NH3+])[C@H]1[NH3+] 2242642 171197279 /nfs/dbraw/zinc/19/72/79/171197279.db2.gz QKHWUKPTSMULMZ-CSMHCCOUSA-N 2 0 156.273 0.955 50 0 ACAARP C[C@@H]1CC(C)(C)[C@H](C[NH3+])[C@H]1[NH3+] 106896515 171198894 /nfs/dbraw/zinc/19/88/94/171198894.db2.gz QKHWUKPTSMULMZ-PRJMDXOYSA-N 2 0 156.273 0.955 50 0 ACAARP C1CNC(CCC2=[NH+]CCCN2)=[NH+]C1 2167263 171207813 /nfs/dbraw/zinc/20/78/13/171207813.db2.gz BPUNIQXTMLGALS-UHFFFAOYSA-N 2 0 194.282 0.550 50 0 ACAARP C[NH+]1CCC2(CC1)C[NH2+]CCO2 28521476 171212087 /nfs/dbraw/zinc/21/20/87/171212087.db2.gz ORNYXYUMLMRMFR-UHFFFAOYSA-N 2 0 170.256 0.071 50 0 ACAARP c1c[nH]c([C@@H]2CC[NH2+]C2)n1 82837016 171222199 /nfs/dbraw/zinc/22/21/99/171222199.db2.gz MFPWCWPABOEDFM-ZCFIWIBFSA-N 2 0 137.186 0.487 50 0 ACAARP [NH3+]C12CCC[NH+](CCC1)C2 219174252 344420713 /nfs/dbraw/zinc/42/07/13/344420713.db2.gz JTTKVQILGZKXRW-UHFFFAOYSA-N 2 0 140.230 0.574 50 0 in-vitro ACAARP C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252707127 344909783 /nfs/dbraw/zinc/90/97/83/344909783.db2.gz WDTYUDKGVGNUJZ-CIUDSAMLSA-N 2 0 154.257 0.675 50 0 ACAARP C[NH+](C)C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2C1 601012345 346918743 /nfs/dbraw/zinc/91/87/43/346918743.db2.gz AXKWYKWLTPFTMN-ILWJIGKKSA-N 2 0 168.284 0.794 50 0 ACAARP C[NH+](C)CCOC[C@@H]1CCC[NH2+]C1 14631055 219805219 /nfs/dbraw/zinc/80/52/19/219805219.db2.gz IJZNEJQMUZYHAQ-SNVBAGLBSA-N 2 0 186.299 0.564 50 0 ACAARP C[NH+](C)CCOCC1CC[NH2+]CC1 14631374 219805229 /nfs/dbraw/zinc/80/52/29/219805229.db2.gz MRIMZRLAVWZIAX-UHFFFAOYSA-N 2 0 186.299 0.564 50 0 ACAARP C[NH+](C)CCOC[C@H]1CCC[NH2+]C1 14631058 219805317 /nfs/dbraw/zinc/80/53/17/219805317.db2.gz IJZNEJQMUZYHAQ-JTQLQIEISA-N 2 0 186.299 0.564 50 0 ACAARP O[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 42783390 351525253 /nfs/dbraw/zinc/52/52/53/351525253.db2.gz GELMPGZBWGOERF-NSHDSACASA-N 2 0 198.310 0.443 50 0 ACAARP CC[C@H]([NH3+])CN(C)CCC[NH+](C)C 82541069 325607503 /nfs/dbraw/zinc/60/75/03/325607503.db2.gz NVJOAINDJBJIKW-JTQLQIEISA-N 2 0 187.331 0.607 50 0 ACAARP [NH3+][C@H]1CCCCC[NH2+]C1 104641904 325617707 /nfs/dbraw/zinc/61/77/07/325617707.db2.gz ZRHHDWFTDGGETF-ZETCQYMHSA-N 2 0 128.219 0.477 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@H]1CC[NH3+] 388243 342935522 /nfs/dbraw/zinc/93/55/22/342935522.db2.gz PNHGJPJOMCXSKN-ZETCQYMHSA-N 2 0 128.219 0.429 50 0 in-vitro ACAARP CC1(C)C([NH3+])C(C)(C)C1[NH3+] 1560649 342947505 /nfs/dbraw/zinc/94/75/05/342947505.db2.gz QWEVGNOJPHTVEY-UHFFFAOYSA-N 2 0 142.246 0.707 50 0 ACAARP [NH3+]CC1(C[NH3+])CCCCC1 4829 342923582 /nfs/dbraw/zinc/92/35/82/342923582.db2.gz XZAHJRZBUWYCBM-UHFFFAOYSA-N 2 0 142.246 0.854 50 0 in-man ACAARP C[N@@H+]1CCC[C@@H]1CC[NH3+] 25200 342924238 /nfs/dbraw/zinc/92/42/38/342924238.db2.gz PNHGJPJOMCXSKN-SSDOTTSWSA-N 2 0 128.219 0.429 50 0 in-vitro ACAARP C[N@@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 158261 342929387 /nfs/dbraw/zinc/92/93/87/342929387.db2.gz HJGMRAKQWLKWMH-IEESLHIDSA-N 2 0 140.230 0.570 50 0 ACAARP CC1(C)CN=C(N2CC[NH2+]CC2)S1 333023 342933631 /nfs/dbraw/zinc/93/36/31/342933631.db2.gz BKUDSGWZPKYESY-UHFFFAOYSA-N 2 0 199.323 0.773 50 0 in-vitro ACAARP C[NH+](C)CCC[NH+](C)C 388176 342935572 /nfs/dbraw/zinc/93/55/72/342935572.db2.gz DMQSHEKGGUOYJS-UHFFFAOYSA-N 2 0 130.235 0.500 50 0 in-vitro ACAARP C[NH+](C)C1CC[NH2+]CC1 393639 342936809 /nfs/dbraw/zinc/93/68/09/342936809.db2.gz YFJAIURZMRJPDB-UHFFFAOYSA-N 2 0 128.219 0.300 50 0 in-vitro ACAARP [NH3+]CC1CCC(C[NH3+])CC1 394530 342937223 /nfs/dbraw/zinc/93/72/23/342937223.db2.gz OXIKYYJDTWKERT-UHFFFAOYSA-N 2 0 142.246 0.710 50 0 in-vitro ACAARP C[C@H](CC[NH+](C)C)[NH+](C)C 404466 342938691 /nfs/dbraw/zinc/93/86/91/342938691.db2.gz AXFVIWBTKYFOCY-MRVPVSSYSA-N 2 0 144.262 0.888 50 0 ACAARP C[NH+](C)CC(C)(C)C[NH3+] 407053 342938757 /nfs/dbraw/zinc/93/87/57/342938757.db2.gz ULDIVZQLPBUHAG-UHFFFAOYSA-N 2 0 130.235 0.533 50 0 ACAARP C[NH+](C)CCC1CC[NH2+]CC1 1296263 342944051 /nfs/dbraw/zinc/94/40/51/342944051.db2.gz RSFAUZNVDWGQBZ-UHFFFAOYSA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP CC(C)[NH2+]CCC[NH3+] 1587630 342949453 /nfs/dbraw/zinc/94/94/53/342949453.db2.gz KFDIDIIKNMZLRZ-UHFFFAOYSA-N 2 0 116.208 0.333 50 0 ACAARP C[NH2+]CCCN(C)CCC[NH2+]C 1655630 342954423 /nfs/dbraw/zinc/95/44/23/342954423.db2.gz PQYGBJHVVYREGU-UHFFFAOYSA-N 2 0 173.304 0.137 50 0 ACAARP CCC[NH2+]CCC[NH3+] 1655626 342954538 /nfs/dbraw/zinc/95/45/38/342954538.db2.gz OWKYZAGJTTTXOK-UHFFFAOYSA-N 2 0 116.208 0.335 50 0 ACAARP C[NH+](C)C[C@H]1CC[C@H](C[NH+](C)C)C1=O 1670753 342956362 /nfs/dbraw/zinc/95/63/62/342956362.db2.gz WSFGETDXBRYWCT-NXEZZACHSA-N 2 0 198.310 0.705 50 0 ACAARP C[NH+](C)C[C@@H]1CC[C@H](C[NH+](C)C)C1=O 1670751 342956396 /nfs/dbraw/zinc/95/63/96/342956396.db2.gz WSFGETDXBRYWCT-AOOOYVTPSA-N 2 0 198.310 0.705 50 0 ACAARP C[NH+](C)C[C@@H]1CC[C@@H](C[NH+](C)C)C1=O 1670752 342956521 /nfs/dbraw/zinc/95/65/21/342956521.db2.gz WSFGETDXBRYWCT-UWVGGRQHSA-N 2 0 198.310 0.705 50 0 ACAARP C[NH+](C)CCCNCCC[NH+](C)C 1870705 342965421 /nfs/dbraw/zinc/96/54/21/342965421.db2.gz BXYVQNNEFZOBOZ-UHFFFAOYSA-N 2 0 187.331 0.479 50 0 ACAARP C[NH2+]CCCC[NH2+]C 2389845 342972208 /nfs/dbraw/zinc/97/22/08/342972208.db2.gz CZPRYVBLOUZRGD-UHFFFAOYSA-N 2 0 116.208 0.205 50 0 in-vitro ACAARP C[NH+](C)CCCNC1CC[NH+](C)CC1 2518430 342973916 /nfs/dbraw/zinc/97/39/16/342973916.db2.gz PUDVDBBVMUOLCI-UHFFFAOYSA-N 2 0 199.342 0.622 50 0 ACAARP CC(C)[NH+]1CCC([NH3+])CC1 2524906 342974249 /nfs/dbraw/zinc/97/42/49/342974249.db2.gz ZRQQXFMGYSOKDF-UHFFFAOYSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP CCC[NH+]1CCC([NH3+])CC1 2534288 342974969 /nfs/dbraw/zinc/97/49/69/342974969.db2.gz ZCYVGFQRDRGDJM-UHFFFAOYSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP C[NH2+]CCc1c[nH]cn1 2559937 342976583 /nfs/dbraw/zinc/97/65/83/342976583.db2.gz PHSPJQZRQAJPPF-UHFFFAOYSA-N 2 0 125.175 0.172 50 0 in-vivo ACAARP C[C@H](C[NH3+])CCC[NH3+] 2560382 342976846 /nfs/dbraw/zinc/97/68/46/342976846.db2.gz JZUHIOJYCPIVLQ-LURJTMIESA-N 2 0 116.208 0.320 50 0 in-vitro ACAARP C[NH+](C)CCCCC[NH3+] 2563316 342976903 /nfs/dbraw/zinc/97/69/03/342976903.db2.gz ZQEQANWXEQSAGL-UHFFFAOYSA-N 2 0 130.235 0.677 50 0 ACAARP C[C@H]1CCC[N@H+](C[C@H](O)C[NH3+])C1 2569179 342977676 /nfs/dbraw/zinc/97/76/76/342977676.db2.gz KPCLAQXYYFURIR-DTWKUNHWSA-N 2 0 172.272 0.038 50 0 ACAARP C[NH2+]CCCCCC[NH2+]C 2567990 342977852 /nfs/dbraw/zinc/97/78/52/342977852.db2.gz MDKQJOKKKZNQDG-UHFFFAOYSA-N 2 0 144.262 0.986 50 0 in-vitro ACAARP C[NH+](C)CCSCC[NH+](C)C 3123309 342980774 /nfs/dbraw/zinc/98/07/74/342980774.db2.gz CSOZUBZPEIKOKM-UHFFFAOYSA-N 2 0 176.329 0.843 50 0 ACAARP CC(C)[NH2+]CCC[NH+](C)C 3643522 342983253 /nfs/dbraw/zinc/98/32/53/342983253.db2.gz LTERZGUIDLTILL-UHFFFAOYSA-N 2 0 144.262 0.936 50 0 ACAARP C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 4204034 342988111 /nfs/dbraw/zinc/98/81/11/342988111.db2.gz BKVNPJOJIGXEPB-JGVFFNPUSA-N 2 0 140.230 0.158 50 0 ACAARP C[N@@H+]1C[C@H]2CC[NH2+]C[C@@H]2C1 4204035 342988713 /nfs/dbraw/zinc/98/87/13/342988713.db2.gz BKVNPJOJIGXEPB-HTQZYQBOSA-N 2 0 140.230 0.158 50 0 ACAARP CC[C@H]([NH3+])CC[NH3+] 5922895 343009536 /nfs/dbraw/zinc/00/95/36/343009536.db2.gz WTSXICLFTPPDTL-YFKPBYRVSA-N 2 0 102.181 0.073 50 0 ACAARP CC[C@@H]([NH3+])CC[NH3+] 5925606 343010099 /nfs/dbraw/zinc/01/00/99/343010099.db2.gz WTSXICLFTPPDTL-RXMQYKEDSA-N 2 0 102.181 0.073 50 0 ACAARP C[C@H](C[NH3+])C[NH+](C)C 6036541 343011595 /nfs/dbraw/zinc/01/15/95/343011595.db2.gz DAMJSIMZZSEQRD-ZCFIWIBFSA-N 2 0 116.208 0.143 50 0 in-vitro ACAARP C[NH+](C)C1CCC([NH3+])CC1 6371912 343014090 /nfs/dbraw/zinc/01/40/90/343014090.db2.gz GNGZZWTXFNFCMU-UHFFFAOYSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[C@H]1CCC[N@H+](C[C@@H](O)C[NH3+])C1 6556244 343015069 /nfs/dbraw/zinc/01/50/69/343015069.db2.gz KPCLAQXYYFURIR-IUCAKERBSA-N 2 0 172.272 0.038 50 0 ACAARP C[C@H]1CN(CCC[NH3+])C[C@H](C)O1 12505389 343031418 /nfs/dbraw/zinc/03/14/18/343031418.db2.gz NIFZHABTMWBHTG-IUCAKERBSA-N 2 0 172.272 0.444 50 0 in-vitro ACAARP C[C@H](C[NH3+])C[NH+]1CCCC1 11804611 343024994 /nfs/dbraw/zinc/02/49/94/343024994.db2.gz UOJULWGNCNKVHI-MRVPVSSYSA-N 2 0 142.246 0.677 50 0 ACAARP CCC[N@@H+]1CC[C@@H](C[NH3+])C1 11891177 343026447 /nfs/dbraw/zinc/02/64/47/343026447.db2.gz IPUBRBQHMVFXEW-QMMMGPOBSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP CCC[N@@H+]1CC[C@H](C[NH3+])C1 11891181 343026508 /nfs/dbraw/zinc/02/65/08/343026508.db2.gz IPUBRBQHMVFXEW-MRVPVSSYSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP CC(C)[N@@H+]1CC[C@H](C[NH3+])C1 11891188 343026542 /nfs/dbraw/zinc/02/65/42/343026542.db2.gz DJCJZTOPDLHBRF-MRVPVSSYSA-N 2 0 142.246 0.675 50 0 in-vitro ACAARP CC(C)[N@@H+]1CC[C@@H](C[NH3+])C1 11891184 343026713 /nfs/dbraw/zinc/02/67/13/343026713.db2.gz DJCJZTOPDLHBRF-QMMMGPOBSA-N 2 0 142.246 0.675 50 0 in-vitro ACAARP C[NH+]1CCC(CC[NH3+])CC1 12354187 343028647 /nfs/dbraw/zinc/02/86/47/343028647.db2.gz IKJXAMMGTSTBLQ-UHFFFAOYSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@@H](C[NH3+])C1 12953678 343032577 /nfs/dbraw/zinc/03/25/77/343032577.db2.gz KEDTYNCWGSIWBK-ZETCQYMHSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP C[C@H]([NH3+])CC[NH+]1CCCC1 13483564 343035184 /nfs/dbraw/zinc/03/51/84/343035184.db2.gz IZHXOIVNOIKRLP-QMMMGPOBSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP C[C@H]([NH3+])CCC[NH3+] 13516659 343035721 /nfs/dbraw/zinc/03/57/21/343035721.db2.gz UEICEJLUNGARHQ-YFKPBYRVSA-N 2 0 102.181 0.073 50 0 in-vitro ACAARP CCCC12C[NH2+]CC(C)(C[NH2+]C1)[C@@H]2O 13722495 343036742 /nfs/dbraw/zinc/03/67/42/343036742.db2.gz MMZAFWCXLNNEHM-WHXUTIOJSA-N 2 0 198.310 0.347 50 0 ACAARP CCC12C[NH2+]CC(CC)(C[NH2+]C1)C2O 13682240 343036853 /nfs/dbraw/zinc/03/68/53/343036853.db2.gz VYLZRXZRIFYRDM-UHFFFAOYSA-N 2 0 198.310 0.347 50 0 ACAARP CCCC12C[NH2+]CC(C)(C[NH2+]C1)[C@H]2O 13722498 343036934 /nfs/dbraw/zinc/03/69/34/343036934.db2.gz MMZAFWCXLNNEHM-KPPDAEKUSA-N 2 0 198.310 0.347 50 0 ACAARP C[NH2+]CCCCC[NH3+] 14649248 343039748 /nfs/dbraw/zinc/03/97/48/343039748.db2.gz BYVVEGMFBFDFHN-UHFFFAOYSA-N 2 0 116.208 0.335 50 0 ACAARP C[NH+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 14629094 343039794 /nfs/dbraw/zinc/03/97/94/343039794.db2.gz AGVVQOUIPIRGNQ-JVHMLUBASA-N 2 0 154.257 0.831 50 0 in-vitro ACAARP C[NH+]1CCC(C)([NH3+])CC1 14984344 343040673 /nfs/dbraw/zinc/04/06/73/343040673.db2.gz UWFBBVGIBJMNQS-UHFFFAOYSA-N 2 0 128.219 0.429 50 0 ACAARP C[NH+](C)C[C@@H]1CC[NH2+]C1 15019559 343041393 /nfs/dbraw/zinc/04/13/93/343041393.db2.gz DDROADVTQNAKPF-SSDOTTSWSA-N 2 0 128.219 0.158 50 0 in-vitro ACAARP Cc1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1 15924299 343043012 /nfs/dbraw/zinc/04/30/12/343043012.db2.gz ILEIGUXOYKZHRK-UHFFFAOYSA-N 2 0 191.238 0.825 50 0 ACAARP C[N@@H+]1[C@H]2CCC[C@@H]1CC([NH3+])C2 16696633 343044298 /nfs/dbraw/zinc/04/42/98/343044298.db2.gz HTZWHTQVHWHSHN-CBLAIPOGSA-N 2 0 154.257 0.960 50 0 ACAARP C[NH2+]CC1CC[NH+](C)CC1 16941898 343045192 /nfs/dbraw/zinc/04/51/92/343045192.db2.gz WGDFDUYIZTVXJR-UHFFFAOYSA-N 2 0 142.246 0.548 50 0 in-vitro ACAARP C[NH+](C)Cc1ccc(C[NH3+])o1 16942617 343045265 /nfs/dbraw/zinc/04/52/65/343045265.db2.gz GCKKYPRRZHWOET-UHFFFAOYSA-N 2 0 154.213 0.800 50 0 in-vitro ACAARP C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 18505191 343048283 /nfs/dbraw/zinc/04/82/83/343048283.db2.gz UFTKWLHJIFCQPP-HTQZYQBOSA-N 2 0 140.230 0.300 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 18505189 343048392 /nfs/dbraw/zinc/04/83/92/343048392.db2.gz UFTKWLHJIFCQPP-SFYZADRCSA-N 2 0 140.230 0.300 50 0 in-vitro ACAARP C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 18505183 343048397 /nfs/dbraw/zinc/04/83/97/343048397.db2.gz BNLKJYVQFIOOTE-JGVFFNPUSA-N 2 0 140.230 0.158 50 0 in-vitro ACAARP C[C@H](C1CC[NH2+]CC1)[NH+]1CCOCC1 19088549 343049105 /nfs/dbraw/zinc/04/91/05/343049105.db2.gz GUDPYLAMWCTVNN-SNVBAGLBSA-N 2 0 198.310 0.707 50 0 in-vitro ACAARP C[N@@H+]1CC[C@](C)(C[NH3+])C1 19088215 343049165 /nfs/dbraw/zinc/04/91/65/343049165.db2.gz HBEGEQPEVWXGGD-SSDOTTSWSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP C[NH2+]CCC[NH+]1CCCC1 19088556 343049287 /nfs/dbraw/zinc/04/92/87/343049287.db2.gz PBKBNZLWSVHLAG-UHFFFAOYSA-N 2 0 142.246 0.692 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@](C)(C[NH3+])C1 19088212 343049439 /nfs/dbraw/zinc/04/94/39/343049439.db2.gz HBEGEQPEVWXGGD-ZETCQYMHSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP C[NH2+]CCCC[NH+]1CCOCC1 19089829 343049762 /nfs/dbraw/zinc/04/97/62/343049762.db2.gz JCDQWSPFGGIJDO-UHFFFAOYSA-N 2 0 172.272 0.318 50 0 in-vitro ACAARP C[NH+]1CCC(CC(N)=[NH2+])CC1 19089928 343049963 /nfs/dbraw/zinc/04/99/63/343049963.db2.gz ZUPNXHKTJUDPFR-UHFFFAOYSA-N 2 0 155.245 0.654 50 0 in-vitro ACAARP C[C@H]([NH3+])C1CC[NH+](C)CC1 19091008 343050306 /nfs/dbraw/zinc/05/03/06/343050306.db2.gz YYBLKINSGHLYAR-ZETCQYMHSA-N 2 0 142.246 0.675 50 0 in-vitro ACAARP C[C@H](CC[NH3+])[NH+](C)C 19091976 343050673 /nfs/dbraw/zinc/05/06/73/343050673.db2.gz HMNAAVUZNWPXDC-ZCFIWIBFSA-N 2 0 116.208 0.285 50 0 in-vitro ACAARP CN(CC[NH+](C)C)CC[NH+](C)C 19366286 343053246 /nfs/dbraw/zinc/05/32/46/343053246.db2.gz UKODFQOELJFMII-UHFFFAOYSA-N 2 0 173.304 0.041 50 0 in-vitro ACAARP CC(C)[NH2+]CC(C)(C)[NH3+] 19366921 343053368 /nfs/dbraw/zinc/05/33/68/343053368.db2.gz BVVNMQQFLWWRFT-UHFFFAOYSA-N 2 0 130.235 0.722 50 0 in-vitro ACAARP CCC[NH2+]CC[NH2+]CCC 19370331 343053560 /nfs/dbraw/zinc/05/35/60/343053560.db2.gz VATUKUMHBXZSCD-UHFFFAOYSA-N 2 0 144.262 0.986 50 0 ACAARP C[C@H]1C[NH+](CCCC[NH3+])C[C@H](C)O1 19402122 343054517 /nfs/dbraw/zinc/05/45/17/343054517.db2.gz ODJBPQYPAKLTSU-UWVGGRQHSA-N 2 0 186.299 0.835 50 0 in-vitro ACAARP C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 19436157 343055045 /nfs/dbraw/zinc/05/50/45/343055045.db2.gz KHESUUBSLVIEBH-NSHDSACASA-N 2 0 197.326 0.233 50 0 in-vitro ACAARP C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 19436155 343055104 /nfs/dbraw/zinc/05/51/04/343055104.db2.gz KHESUUBSLVIEBH-LLVKDONJSA-N 2 0 197.326 0.233 50 0 in-vitro ACAARP CN1CC[NH+](CC2CC[NH2+]CC2)CC1 19442263 343055929 /nfs/dbraw/zinc/05/59/29/343055929.db2.gz MIRBDUREIHMEMK-UHFFFAOYSA-N 2 0 197.326 0.233 50 0 in-vitro ACAARP C[NH+]1CCN(C[C@H]2CCCC[NH2+]2)CC1 19512301 343057089 /nfs/dbraw/zinc/05/70/89/343057089.db2.gz QQUUWDIEAUEONP-LLVKDONJSA-N 2 0 197.326 0.376 50 0 ACAARP C[NH+](C)CCCC(N)=[NH2+] 19514344 343057152 /nfs/dbraw/zinc/05/71/52/343057152.db2.gz IPGXJXHUXGPVFD-UHFFFAOYSA-N 2 0 129.207 0.264 50 0 in-vitro ACAARP C[NH+]1CCN(C[C@@H]2CCCC[NH2+]2)CC1 19512299 343057191 /nfs/dbraw/zinc/05/71/91/343057191.db2.gz QQUUWDIEAUEONP-NSHDSACASA-N 2 0 197.326 0.376 50 0 ACAARP CC1CC[NH+](C[C@H](O)C[NH3+])CC1 19685113 343058046 /nfs/dbraw/zinc/05/80/46/343058046.db2.gz YGYKZDYJRMQTLF-SECBINFHSA-N 2 0 172.272 0.038 50 0 in-vitro ACAARP C[C@H](CC[NH3+])[NH+]1CCCC1 19673614 343058094 /nfs/dbraw/zinc/05/80/94/343058094.db2.gz SPZQIRUEJFYSEQ-MRVPVSSYSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP CC(C)[NH+]1CCN(CCC[NH3+])CC1 19688170 343058419 /nfs/dbraw/zinc/05/84/19/343058419.db2.gz IZXMGGLFJGYNBW-UHFFFAOYSA-N 2 0 185.315 0.361 50 0 in-vitro ACAARP C[NH2+]CCC[NH2+]C(C)C 19736979 343059393 /nfs/dbraw/zinc/05/93/93/343059393.db2.gz IOWKVIRYCFXIFG-UHFFFAOYSA-N 2 0 130.235 0.594 50 0 ACAARP CC[C@H](C)[NH2+]CCC[NH3+] 19736858 343059407 /nfs/dbraw/zinc/05/94/07/343059407.db2.gz RGAYJNGHWOMPBI-ZETCQYMHSA-N 2 0 130.235 0.723 50 0 ACAARP C[NH2+]CCC[NH2+]C(C)(C)C 19736951 343059482 /nfs/dbraw/zinc/05/94/82/343059482.db2.gz HMZPFQIVMODIQI-UHFFFAOYSA-N 2 0 144.262 0.984 50 0 ACAARP C[NH2+]CCC[NH2+]C[C@@H]1CCCO1 19736966 343059538 /nfs/dbraw/zinc/05/95/38/343059538.db2.gz TVVSDOKIXYZOIS-VIFPVBQESA-N 2 0 172.272 0.365 50 0 ACAARP C[NH2+]CCC[NH2+]CCCOC 19737020 343059849 /nfs/dbraw/zinc/05/98/49/343059849.db2.gz RLNFYTQNARRZGP-UHFFFAOYSA-N 2 0 160.261 0.222 50 0 ACAARP CCC[NH2+]CCC[NH2+]C 19736991 343059919 /nfs/dbraw/zinc/05/99/19/343059919.db2.gz LAODUQWLGGBAKR-UHFFFAOYSA-N 2 0 130.235 0.596 50 0 ACAARP CCC[NH2+]CCC[NH2+]CC 19736992 343059995 /nfs/dbraw/zinc/05/99/95/343059995.db2.gz CCHLTSNIGITTBJ-UHFFFAOYSA-N 2 0 144.262 0.986 50 0 ACAARP CC[C@H](C)[NH2+]CCC[NH2+]C 19737015 343060058 /nfs/dbraw/zinc/06/00/58/343060058.db2.gz DTFURJXCALEPFG-QMMMGPOBSA-N 2 0 144.262 0.984 50 0 ACAARP CN1CC[NH+](CCCCC[NH3+])CC1 19794294 343060256 /nfs/dbraw/zinc/06/02/56/343060256.db2.gz XMYJIRKAMFCJSV-UHFFFAOYSA-N 2 0 185.315 0.363 50 0 ACAARP C[C@H]1C[NH2+]C[C@H](C)N1CCC[NH+](C)C 19801238 343060911 /nfs/dbraw/zinc/06/09/11/343060911.db2.gz ZXWHJATWPYMCGO-QWRGUYRKSA-N 2 0 199.342 0.620 50 0 ACAARP C[C@H]1C[NH2+]C[C@H](C)N1CC[NH+](C)C 19801235 343060980 /nfs/dbraw/zinc/06/09/80/343060980.db2.gz HPISDENDJFRNNH-UWVGGRQHSA-N 2 0 185.315 0.230 50 0 ACAARP CCC[NH+]1CCN(CCC[NH3+])CC1 19933683 343064434 /nfs/dbraw/zinc/06/44/34/343064434.db2.gz DJOXCABHIQUIJR-UHFFFAOYSA-N 2 0 185.315 0.363 50 0 ACAARP CCC[NH2+]CCC[NH+](C)C 19959171 343065426 /nfs/dbraw/zinc/06/54/26/343065426.db2.gz LVCAUABGOWBVQM-UHFFFAOYSA-N 2 0 144.262 0.938 50 0 in-vitro ACAARP C[N@@H+]1CCCN([C@@H]2CCC[C@@H]2[NH3+])CC1 20260669 343070443 /nfs/dbraw/zinc/07/04/43/343070443.db2.gz VHYJFJACQXFBDM-WDEREUQCSA-N 2 0 197.326 0.504 50 0 in-vitro ACAARP CC(C)[N@@H+]1CCC[C@@H]([NH3+])C1 20438746 343073079 /nfs/dbraw/zinc/07/30/79/343073079.db2.gz IWMWQJJKTUJTHA-MRVPVSSYSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@@H](CC[NH3+])C1 20439786 343073279 /nfs/dbraw/zinc/07/32/79/343073279.db2.gz FTNBVIIKZHRBTK-QMMMGPOBSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP CC(C)[N@@H+]1CCC[C@H]([NH3+])C1 20438751 343073308 /nfs/dbraw/zinc/07/33/08/343073308.db2.gz IWMWQJJKTUJTHA-QMMMGPOBSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[N@@H+]1CC[C@H](CC[NH3+])C1 20440498 343073415 /nfs/dbraw/zinc/07/34/15/343073415.db2.gz CQGLYACIZMXCQF-ZETCQYMHSA-N 2 0 128.219 0.287 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@H](CC[NH3+])C1 20439789 343073489 /nfs/dbraw/zinc/07/34/89/343073489.db2.gz FTNBVIIKZHRBTK-MRVPVSSYSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP C[NH+](C)CC[C@H]1CCC[NH2+]C1 20441689 343073591 /nfs/dbraw/zinc/07/35/91/343073591.db2.gz YSWZWFUGBKCCCN-SECBINFHSA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP C[NH+](C)CC[C@@H]1CCC[NH2+]C1 20441685 343073614 /nfs/dbraw/zinc/07/36/14/343073614.db2.gz YSWZWFUGBKCCCN-VIFPVBQESA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@H](CN2CC[NH2+]CC2)C1 22029042 343077729 /nfs/dbraw/zinc/07/77/29/343077729.db2.gz JNRZWBOVQVAUTC-NSHDSACASA-N 2 0 197.326 0.233 50 0 in-vitro ACAARP C[NH+]1CCC(CN2CC[NH2+]CC2)CC1 22029046 343077793 /nfs/dbraw/zinc/07/77/93/343077793.db2.gz VGEQUMWEQWWIJT-UHFFFAOYSA-N 2 0 197.326 0.233 50 0 in-vitro ACAARP C[C@H]1C[N@H+](C)CC[C@@H]1[NH3+] 22130073 343079140 /nfs/dbraw/zinc/07/91/40/343079140.db2.gz WLFDKDVGHUCVFY-BQBZGAKWSA-N 2 0 128.219 0.285 50 0 in-vitro ACAARP CC(C)[N@@H+](C)C[C@H](C)[NH3+] 22212711 343080943 /nfs/dbraw/zinc/08/09/43/343080943.db2.gz JGPLGXKAPTVKMX-ZETCQYMHSA-N 2 0 130.235 0.674 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@@H](CN2CC[NH2+]CC2)C1 22465924 343081700 /nfs/dbraw/zinc/08/17/00/343081700.db2.gz JNRZWBOVQVAUTC-LLVKDONJSA-N 2 0 197.326 0.233 50 0 in-vitro ACAARP C[C@H]1C[NH2+]C[C@@H](C)N1CC[NH+](C)C 22910991 343082952 /nfs/dbraw/zinc/08/29/52/343082952.db2.gz HPISDENDJFRNNH-AOOOYVTPSA-N 2 0 185.315 0.230 50 0 ACAARP CN(CC[NH+](C)C)C1CC[NH2+]CC1 22926532 343082961 /nfs/dbraw/zinc/08/29/61/343082961.db2.gz OJSYQVSXEGDEID-UHFFFAOYSA-N 2 0 185.315 0.232 50 0 in-vitro ACAARP C[C@H]1C[NH2+]C[C@@H](C)N1CCC[NH+](C)C 22910994 343082985 /nfs/dbraw/zinc/08/29/85/343082985.db2.gz ZXWHJATWPYMCGO-PHIMTYICSA-N 2 0 199.342 0.620 50 0 ACAARP CC(C)[C@H](C[NH3+])N1CC[NH+](C)CC1 22921591 343083007 /nfs/dbraw/zinc/08/30/07/343083007.db2.gz NZOHMOAESFGOTF-JTQLQIEISA-N 2 0 185.315 0.217 50 0 ACAARP C[NH+]1CCN(C2(C[NH3+])CCCC2)CC1 23094085 343083247 /nfs/dbraw/zinc/08/32/47/343083247.db2.gz KUTJXIZFVLYHEV-UHFFFAOYSA-N 2 0 197.326 0.505 50 0 in-vitro ACAARP CCC[N@@H+]1CCC[NH2+]CC1 23070641 343083276 /nfs/dbraw/zinc/08/32/76/343083276.db2.gz GXRSWAZGYHZTSQ-UHFFFAOYSA-N 2 0 142.246 0.692 50 0 in-vitro ACAARP C[C@H]1C[N@H+](C)CCC[NH2+]1 23093931 343083323 /nfs/dbraw/zinc/08/33/23/343083323.db2.gz CPZHVHQMQBDZMW-ZETCQYMHSA-N 2 0 128.219 0.300 50 0 in-vitro ACAARP C[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 23471838 343084058 /nfs/dbraw/zinc/08/40/58/343084058.db2.gz GOMVBWWQDZOVSH-UHFFFAOYSA-N 2 0 197.326 0.376 50 0 ACAARP C[N@@H+]1CC[C@H]2C[NH2+]CC[C@@H]21 25877059 343086762 /nfs/dbraw/zinc/08/67/62/343086762.db2.gz APQINZAHFHXIRJ-YUMQZZPRSA-N 2 0 140.230 0.300 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@H]2C[NH2+]CC[C@@H]21 25877056 343086895 /nfs/dbraw/zinc/08/68/95/343086895.db2.gz APQINZAHFHXIRJ-SFYZADRCSA-N 2 0 140.230 0.300 50 0 in-vitro ACAARP C[C@H]1C[C@@H]([NH3+])CC[NH2+]1 26460150 343088238 /nfs/dbraw/zinc/08/82/38/343088238.db2.gz ROCOIOKGIYJZNN-WDSKDSINSA-N 2 0 114.192 0.086 50 0 ACAARP C[C@H]1C[C@H]([NH3+])CC[NH2+]1 26460162 343088399 /nfs/dbraw/zinc/08/83/99/343088399.db2.gz ROCOIOKGIYJZNN-NTSWFWBYSA-N 2 0 114.192 0.086 50 0 ACAARP C[N@@H+]1CCC[C@@H](C(N)=[NH2+])C1 26898062 343090873 /nfs/dbraw/zinc/09/08/73/343090873.db2.gz YOEDLRORQIKPJA-ZCFIWIBFSA-N 2 0 141.218 0.264 50 0 in-vitro ACAARP C[NH+](C)CCCCSC(N)=[NH2+] 29747245 343092798 /nfs/dbraw/zinc/09/27/98/343092798.db2.gz UFYJLJINUGVUHO-UHFFFAOYSA-N 2 0 175.301 0.955 50 0 in-vivo ACAARP [NH3+]C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C[NH3+] 31333643 343093428 /nfs/dbraw/zinc/09/34/28/343093428.db2.gz RPYFJVIASOJLJS-KZVJFYERSA-N 2 0 154.257 0.566 50 0 in-vitro ACAARP CCC[N@@H+]1CCC[C@@H]([NH3+])C1 32445511 343102355 /nfs/dbraw/zinc/10/23/55/343102355.db2.gz DXTMBWZGZFPDLS-MRVPVSSYSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP CCC[N@@H+]1CCC[C@H]([NH3+])C1 32445512 343102393 /nfs/dbraw/zinc/10/23/93/343102393.db2.gz DXTMBWZGZFPDLS-QMMMGPOBSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP C[NH+](C)CC[C@@H]1CCC[NH2+]1 32914977 343103814 /nfs/dbraw/zinc/10/38/14/343103814.db2.gz YSIPQGUGLHBNQY-QMMMGPOBSA-N 2 0 142.246 0.690 50 0 ACAARP C[NH+](C)CC[C@H]1CCC[NH2+]1 32914979 343103877 /nfs/dbraw/zinc/10/38/77/343103877.db2.gz YSIPQGUGLHBNQY-MRVPVSSYSA-N 2 0 142.246 0.690 50 0 ACAARP C[N@H+](C[C@H]1CCCO1)C1CC[NH2+]CC1 32919237 343103880 /nfs/dbraw/zinc/10/38/80/343103880.db2.gz DOBMVARRMXTNME-LLVKDONJSA-N 2 0 198.310 0.849 50 0 ACAARP C[N@H+](C[C@@H]1CCCO1)C1CC[NH2+]CC1 32919235 343103939 /nfs/dbraw/zinc/10/39/39/343103939.db2.gz DOBMVARRMXTNME-NSHDSACASA-N 2 0 198.310 0.849 50 0 ACAARP CC(C)[C@H]([NH3+])[C@@H]([NH3+])C(C)C 34079945 343109822 /nfs/dbraw/zinc/10/98/22/343109822.db2.gz KQDYUNYMUMMKOL-YUMQZZPRSA-N 2 0 144.262 0.953 50 0 ACAARP C[C@H]([NH3+])[C@@H]1CCC[NH2+]1 34343615 343116996 /nfs/dbraw/zinc/11/69/96/343116996.db2.gz KAEAOSROYJPPIZ-WDSKDSINSA-N 2 0 114.192 0.086 50 0 in-vitro ACAARP C[NH2+]CC1CC[NH2+]CC1 34342590 343117085 /nfs/dbraw/zinc/11/70/85/343117085.db2.gz RNUCZCMDLWNCFD-UHFFFAOYSA-N 2 0 128.219 0.205 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 34468165 343119563 /nfs/dbraw/zinc/11/95/63/343119563.db2.gz BMRRCEKQTKZDPU-BDAKNGLRSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 34468163 343119602 /nfs/dbraw/zinc/11/96/02/343119602.db2.gz BMRRCEKQTKZDPU-RKDXNWHRSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP C[C@H]([NH3+])CCCC[NH3+] 34598857 343123277 /nfs/dbraw/zinc/12/32/77/343123277.db2.gz XTBMQKZEIICCCS-LURJTMIESA-N 2 0 116.208 0.463 50 0 in-vitro ACAARP C[C@H]([NH3+])[C@@H]1CCCC[NH2+]1 34927092 343125788 /nfs/dbraw/zinc/12/57/88/343125788.db2.gz JBZRHQMTFCUHPD-BQBZGAKWSA-N 2 0 128.219 0.476 50 0 ACAARP C[C@H]([NH3+])[C@H]1CCCC[NH2+]1 34927094 343125841 /nfs/dbraw/zinc/12/58/41/343125841.db2.gz JBZRHQMTFCUHPD-NKWVEPMBSA-N 2 0 128.219 0.476 50 0 ACAARP CN(CCC[NH+](C)C)C1CC[NH2+]CC1 34928836 343126034 /nfs/dbraw/zinc/12/60/34/343126034.db2.gz CTQCSCBIGWYJBO-UHFFFAOYSA-N 2 0 199.342 0.622 50 0 ACAARP CC(C)[NH+]1CCC(O)(C[NH3+])CC1 35278916 343131324 /nfs/dbraw/zinc/13/13/24/343131324.db2.gz DAMMODNJHFWQSC-UHFFFAOYSA-N 2 0 172.272 0.180 50 0 in-vitro ACAARP C[C@]([NH3+])(C[NH3+])C1CC1 35676909 343136529 /nfs/dbraw/zinc/13/65/29/343136529.db2.gz JXECWUINHWCLRW-LURJTMIESA-N 2 0 114.192 0.073 50 0 in-vitro ACAARP CC[C@](C)([NH3+])C[NH3+] 35676984 343136579 /nfs/dbraw/zinc/13/65/79/343136579.db2.gz NMUURUZMXPDLAB-YFKPBYRVSA-N 2 0 102.181 0.073 50 0 in-vitro ACAARP C[C@H]1CCCC[C@@]1([NH3+])C[NH3+] 35676975 343136690 /nfs/dbraw/zinc/13/66/90/343136690.db2.gz CFCWMFSNNMJUNE-JGVFFNPUSA-N 2 0 142.246 0.853 50 0 in-vitro ACAARP CC[C@@](C)([NH3+])C[NH3+] 35676985 343136818 /nfs/dbraw/zinc/13/68/18/343136818.db2.gz NMUURUZMXPDLAB-RXMQYKEDSA-N 2 0 102.181 0.073 50 0 in-vitro ACAARP C[C@H]1CCCC[C@]1([NH3+])C[NH3+] 35676973 343136852 /nfs/dbraw/zinc/13/68/52/343136852.db2.gz CFCWMFSNNMJUNE-YUMQZZPRSA-N 2 0 142.246 0.853 50 0 in-vitro ACAARP C[NH+](C)C1CCN(C(C)(C)C[NH3+])CC1 36191569 343141785 /nfs/dbraw/zinc/14/17/85/343141785.db2.gz WLYOASQGGIPUOA-UHFFFAOYSA-N 2 0 199.342 0.750 50 0 in-vitro ACAARP C[N@H+](CCCO)C1CC[NH2+]CC1 36300844 343143476 /nfs/dbraw/zinc/14/34/76/343143476.db2.gz RSMGBDMEDZHITB-UHFFFAOYSA-N 2 0 172.272 0.053 50 0 in-vitro ACAARP C[NH2+]C1CC[NH+](C2CCOCC2)CC1 36319880 343144016 /nfs/dbraw/zinc/14/40/16/343144016.db2.gz HKVNOHYPJPWWRB-UHFFFAOYSA-N 2 0 198.310 0.849 50 0 ACAARP C[N@H+](C1CC[NH2+]CC1)C1CCOCC1 36321370 343144104 /nfs/dbraw/zinc/14/41/04/343144104.db2.gz QQWAERSFSGQLKL-UHFFFAOYSA-N 2 0 198.310 0.849 50 0 ACAARP C[C@H]1C[C@H]([NH3+])[C@H](C)C[N@@H+]1C 36907424 343153664 /nfs/dbraw/zinc/15/36/64/343153664.db2.gz QDZDLPPKTNOOAE-CSMHCCOUSA-N 2 0 142.246 0.674 50 0 in-vitro ACAARP C[C@H]1C[C@@H]([NH3+])[C@H](C)C[N@@H+]1C 36907426 343153768 /nfs/dbraw/zinc/15/37/68/343153768.db2.gz QDZDLPPKTNOOAE-GJMOJQLCSA-N 2 0 142.246 0.674 50 0 in-vitro ACAARP C[N@H+](CCCC[NH3+])C1CC1 37080559 343158539 /nfs/dbraw/zinc/15/85/39/343158539.db2.gz VTYJBGKJWZMFOR-UHFFFAOYSA-N 2 0 142.246 0.820 50 0 ACAARP C[N@@H+]1CCC[C@H](C(N)=[NH2+])C1 37263104 343164905 /nfs/dbraw/zinc/16/49/05/343164905.db2.gz YOEDLRORQIKPJA-LURJTMIESA-N 2 0 141.218 0.264 50 0 in-vitro ACAARP C[NH2+]CCCC[NH+](C)C 37477918 343171079 /nfs/dbraw/zinc/17/10/79/343171079.db2.gz UOTKNWSJLVKOJR-UHFFFAOYSA-N 2 0 130.235 0.548 50 0 in-vitro ACAARP C[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 37688241 343174066 /nfs/dbraw/zinc/17/40/66/343174066.db2.gz QTSRPCVMANIMGS-QMMMGPOBSA-N 2 0 172.272 0.051 50 0 in-vitro ACAARP CC[C@H](O)C[NH+]1CCC([NH3+])CC1 37688251 343174077 /nfs/dbraw/zinc/17/40/77/343174077.db2.gz ZPDWBRRPHYDKFH-VIFPVBQESA-N 2 0 172.272 0.180 50 0 in-vitro ACAARP C[C@H]1CCC[N@@H+]1CCC[NH3+] 37910068 343180286 /nfs/dbraw/zinc/18/02/86/343180286.db2.gz IIHQYQVGFVPFFI-QMMMGPOBSA-N 2 0 142.246 0.820 50 0 ACAARP CC(C)[NH2+]C1CC[NH2+]CC1 38040469 343183478 /nfs/dbraw/zinc/18/34/78/343183478.db2.gz GINABUAPACIWCA-UHFFFAOYSA-N 2 0 142.246 0.736 50 0 in-vitro ACAARP CC(C)[NH2+]C[C@H]1CCC[NH2+]C1 38340250 343187451 /nfs/dbraw/zinc/18/74/51/343187451.db2.gz NNFVUEAMGPGPTA-VIFPVBQESA-N 2 0 156.273 0.984 50 0 in-vitro ACAARP C[C@H]([NH3+])C[NH+]1CCCC1 38342007 343187505 /nfs/dbraw/zinc/18/75/05/343187505.db2.gz ZLGZKMHJXLDWSP-ZETCQYMHSA-N 2 0 128.219 0.429 50 0 in-vitro ACAARP CC(C)[NH2+]C[C@@H]1CCC[NH2+]C1 38340248 343187409 /nfs/dbraw/zinc/18/74/09/343187409.db2.gz NNFVUEAMGPGPTA-SECBINFHSA-N 2 0 156.273 0.984 50 0 in-vitro ACAARP C[C@H]([C@@H]1CC[NH2+]C1)[NH+](C)C 38415750 343188173 /nfs/dbraw/zinc/18/81/73/343188173.db2.gz NNGZGGWCIUUAEX-HTQZYQBOSA-N 2 0 142.246 0.546 50 0 ACAARP C[C@@H]([C@H]1CC[NH2+]C1)[NH+](C)C 38582271 343189241 /nfs/dbraw/zinc/18/92/41/343189241.db2.gz NNGZGGWCIUUAEX-YUMQZZPRSA-N 2 0 142.246 0.546 50 0 ACAARP CCC([NH3+])(CC)C[NH3+] 38644388 343189603 /nfs/dbraw/zinc/18/96/03/343189603.db2.gz ZVZPXKGMHIJPET-UHFFFAOYSA-N 2 0 116.208 0.463 50 0 in-vitro ACAARP C[C@H]([C@H]1CC[NH2+]C1)[NH+](C)C 38809934 343190699 /nfs/dbraw/zinc/19/06/99/343190699.db2.gz NNGZGGWCIUUAEX-SFYZADRCSA-N 2 0 142.246 0.546 50 0 ACAARP Cc1cc(CC[NH3+])ccn1 39050130 343193828 /nfs/dbraw/zinc/19/38/28/343193828.db2.gz ITTRLSPJQVRVLV-UHFFFAOYSA-N 2 0 136.198 0.891 50 0 in-vitro ACAARP C[NH+](C)CCCOC1CC[NH2+]CC1 40240367 343216028 /nfs/dbraw/zinc/21/60/28/343216028.db2.gz HYBWJSXMJVVCOE-UHFFFAOYSA-N 2 0 186.299 0.707 50 0 in-vitro ACAARP C[NH2+]CCCCCC[NH3+] 40409039 343217959 /nfs/dbraw/zinc/21/79/59/343217959.db2.gz OYFWLCJAPSAGCG-UHFFFAOYSA-N 2 0 130.235 0.725 50 0 ACAARP C[C@]([NH3+])(C[NH2+]C1CC1)C1CC1 40408448 343217967 /nfs/dbraw/zinc/21/79/67/343217967.db2.gz HKUUDIPOJVUKCV-VIFPVBQESA-N 2 0 154.257 0.866 50 0 in-vitro ACAARP CC(C)[NH2+]C1(CO)CC[NH2+]CC1 40695512 343221308 /nfs/dbraw/zinc/22/13/08/343221308.db2.gz UIXASGLQDYPRTR-UHFFFAOYSA-N 2 0 172.272 0.099 50 0 ACAARP C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 41045888 343226743 /nfs/dbraw/zinc/22/67/43/343226743.db2.gz PNFYNBBBJIYYNV-SNVBAGLBSA-N 2 0 198.310 0.707 50 0 in-vitro ACAARP C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 41045887 343226802 /nfs/dbraw/zinc/22/68/02/343226802.db2.gz PNFYNBBBJIYYNV-JTQLQIEISA-N 2 0 198.310 0.707 50 0 in-vitro ACAARP CC(C)[C@](C)([NH3+])C[NH3+] 41053630 343227995 /nfs/dbraw/zinc/22/79/95/343227995.db2.gz CUGUEZKINWGNPZ-ZCFIWIBFSA-N 2 0 116.208 0.319 50 0 in-vitro ACAARP CC(C)[C@@](C)([NH3+])C[NH3+] 41053631 343228123 /nfs/dbraw/zinc/22/81/23/343228123.db2.gz CUGUEZKINWGNPZ-LURJTMIESA-N 2 0 116.208 0.319 50 0 in-vitro ACAARP CCC[NH2+]CCN1CC[NH+](CC)CC1 41210051 343232629 /nfs/dbraw/zinc/23/26/29/343232629.db2.gz NXVKOVOTQZRQOR-UHFFFAOYSA-N 2 0 199.342 0.624 50 0 in-vitro ACAARP C[N@H+](CCO)CCC1CC[NH2+]CC1 42783389 343249252 /nfs/dbraw/zinc/24/92/52/343249252.db2.gz PXDGSGREJGPARR-UHFFFAOYSA-N 2 0 186.299 0.300 50 0 in-vitro ACAARP C[N@H+](CCO)CC[C@H]1CCC[NH2+]C1 42783344 343249291 /nfs/dbraw/zinc/24/92/91/343249291.db2.gz VBZIVOWXDWEXJP-SNVBAGLBSA-N 2 0 186.299 0.300 50 0 in-vitro ACAARP C[N@H+](CCO)CC[C@@H]1CCC[NH2+]C1 42783343 343249310 /nfs/dbraw/zinc/24/93/10/343249310.db2.gz VBZIVOWXDWEXJP-JTQLQIEISA-N 2 0 186.299 0.300 50 0 in-vitro ACAARP C[N@H+](CCO)CC[C@@H]1CCCC[NH2+]1 42783327 343249475 /nfs/dbraw/zinc/24/94/75/343249475.db2.gz SRXVYTDJFFUQBU-JTQLQIEISA-N 2 0 186.299 0.443 50 0 ACAARP C[N@H+](CCO)CC[C@H]1CCCC[NH2+]1 42783328 343249481 /nfs/dbraw/zinc/24/94/81/343249481.db2.gz SRXVYTDJFFUQBU-SNVBAGLBSA-N 2 0 186.299 0.443 50 0 ACAARP C[N@@H+]1CCC[C@H]([NH3+])CC1 44682198 343267955 /nfs/dbraw/zinc/26/79/55/343267955.db2.gz LYRZFDLVKYYDOX-ZETCQYMHSA-N 2 0 128.219 0.429 50 0 in-vitro ACAARP C[NH2+]CCNCC[NH+]1CCCCC1 49474788 343275379 /nfs/dbraw/zinc/27/53/79/343275379.db2.gz MXJZSEKNMCIACQ-UHFFFAOYSA-N 2 0 185.315 0.281 50 0 ACAARP CC(C)[N@@H+]1CCc2n[nH]c(C[NH3+])c2C1 49581125 343275999 /nfs/dbraw/zinc/27/59/99/343275999.db2.gz AEWLJMZGWNNASB-UHFFFAOYSA-N 2 0 194.282 0.635 50 0 in-vitro ACAARP CC(C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 51783094 343293066 /nfs/dbraw/zinc/29/30/66/343293066.db2.gz QNLRCNJRLZNKBD-NSHDSACASA-N 2 0 197.326 0.374 50 0 ACAARP CC(C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 51783093 343293108 /nfs/dbraw/zinc/29/31/08/343293108.db2.gz QNLRCNJRLZNKBD-LLVKDONJSA-N 2 0 197.326 0.374 50 0 ACAARP C[N@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 51889575 343295524 /nfs/dbraw/zinc/29/55/24/343295524.db2.gz OCCRWIBMVVTWSL-SNVBAGLBSA-N 2 0 168.284 0.938 50 0 in-vitro ACAARP CC(C)[NH+](CCNC(N)=[NH2+])C(C)C 53278560 343313831 /nfs/dbraw/zinc/31/38/31/343313831.db2.gz OIICKCREWPPFAF-UHFFFAOYSA-N 2 0 186.303 0.588 50 0 ACAARP C[N@@H+]1CC[C@]2(CCC[NH2+]C2)C1 59270593 343343668 /nfs/dbraw/zinc/34/36/68/343343668.db2.gz BASGGIUQFOKXEP-VIFPVBQESA-N 2 0 154.257 0.692 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@]2(CCC[NH2+]C2)C1 59270594 343343836 /nfs/dbraw/zinc/34/38/36/343343836.db2.gz BASGGIUQFOKXEP-SECBINFHSA-N 2 0 154.257 0.692 50 0 in-vitro ACAARP C[NH2+]CC(C)(C)[NH2+]C 61319643 343356061 /nfs/dbraw/zinc/35/60/61/343356061.db2.gz HCFJTTNNAWMEDU-UHFFFAOYSA-N 2 0 116.208 0.204 50 0 ACAARP C[C@H]1C[N@H+](CCC[NH3+])CCCO1 61914797 343367202 /nfs/dbraw/zinc/36/72/02/343367202.db2.gz YKELQXIWZFQQQS-VIFPVBQESA-N 2 0 172.272 0.446 50 0 in-vitro ACAARP C[C@@H]1C[NH2+]CCC[N@@H+]1C 62566219 343374748 /nfs/dbraw/zinc/37/47/48/343374748.db2.gz ZEWCWIZCJWSJFN-SSDOTTSWSA-N 2 0 128.219 0.300 50 0 ACAARP CC1(C)C[NH2+]CCC[NH2+]1 62566223 343375165 /nfs/dbraw/zinc/37/51/65/343375165.db2.gz BCPHESVFXXEVHA-UHFFFAOYSA-N 2 0 128.219 0.348 50 0 ACAARP C[C@H]1C[NH2+]CCC[N@@H+]1C 62566222 343375571 /nfs/dbraw/zinc/37/55/71/343375571.db2.gz ZEWCWIZCJWSJFN-ZETCQYMHSA-N 2 0 128.219 0.300 50 0 ACAARP C[N@@H+]1CCC[NH2+]C(C)(C)C1 62566270 343375609 /nfs/dbraw/zinc/37/56/09/343375609.db2.gz GNFASXVYRCRJLO-UHFFFAOYSA-N 2 0 142.246 0.690 50 0 ACAARP C[NH+](C)CC1(C)CC[NH2+]CC1 62841662 343383124 /nfs/dbraw/zinc/38/31/24/343383124.db2.gz MUMWBHSVKFUMFC-UHFFFAOYSA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP CC1(C[NH+]2CCOCC2)CC[NH2+]CC1 62841609 343383335 /nfs/dbraw/zinc/38/33/35/343383335.db2.gz JOBGQESUECMKSS-UHFFFAOYSA-N 2 0 198.310 0.708 50 0 in-vitro ACAARP C[NH+](C)C[C@@]1(C)CC[NH2+]C1 62910971 343384619 /nfs/dbraw/zinc/38/46/19/343384619.db2.gz OIMODVBOSLWPFV-QMMMGPOBSA-N 2 0 142.246 0.548 50 0 ACAARP C[NH+](C)C[C@]1(C)CC[NH2+]C1 62910972 343384794 /nfs/dbraw/zinc/38/47/94/343384794.db2.gz OIMODVBOSLWPFV-MRVPVSSYSA-N 2 0 142.246 0.548 50 0 ACAARP C1CC2(CC[NH2+]1)CC[NH2+]CC2 62951100 343388313 /nfs/dbraw/zinc/38/83/13/343388313.db2.gz YNKVCLQNSSTHTD-UHFFFAOYSA-N 2 0 154.257 0.740 50 0 ACAARP C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 63166245 343403553 /nfs/dbraw/zinc/40/35/53/343403553.db2.gz GCXNFWJZMDDBJD-SECBINFHSA-N 2 0 186.299 0.299 50 0 in-vitro ACAARP C[NH2+]C1CCC([NH3+])CC1 66354594 343410327 /nfs/dbraw/zinc/41/03/27/343410327.db2.gz OBLKGLNRMMXCFW-UHFFFAOYSA-N 2 0 128.219 0.476 50 0 in-vitro ACAARP C[NH+](C)[C@H]1CCC[NH2+]CC1 67425238 343410641 /nfs/dbraw/zinc/41/06/41/343410641.db2.gz CPQNSCBDTYTUGF-QMMMGPOBSA-N 2 0 142.246 0.690 50 0 in-vitro ACAARP C[NH+](C)C[C@]1(O)CCC[NH2+]CC1 67425202 343410693 /nfs/dbraw/zinc/41/06/93/343410693.db2.gz MCETXHXLISGBMJ-VIFPVBQESA-N 2 0 172.272 0.053 50 0 in-vitro ACAARP C[NH+](C)[C@@H]1CCC[NH2+]CC1 67425236 343410715 /nfs/dbraw/zinc/41/07/15/343410715.db2.gz CPQNSCBDTYTUGF-MRVPVSSYSA-N 2 0 142.246 0.690 50 0 in-vitro ACAARP CN1CCC[N@H+](C)CC12CC[NH2+]CC2 67425107 343410907 /nfs/dbraw/zinc/41/09/07/343410907.db2.gz CVASLOZQHLFASY-UHFFFAOYSA-N 2 0 197.326 0.376 50 0 in-vitro ACAARP [NH3+]CC1CC[NH+]([C@@H]2CCOC2)CC1 69606373 343426200 /nfs/dbraw/zinc/42/62/00/343426200.db2.gz QOLVLPDWDAWZJP-SNVBAGLBSA-N 2 0 184.283 0.446 50 0 ACAARP [NH3+]CC1CC[NH+]([C@H]2CCOC2)CC1 69606375 343426243 /nfs/dbraw/zinc/42/62/43/343426243.db2.gz QOLVLPDWDAWZJP-JTQLQIEISA-N 2 0 184.283 0.446 50 0 ACAARP C[N@@H+](C1CC[NH2+]CC1)[C@H]1CCOC1 70072526 343473967 /nfs/dbraw/zinc/47/39/67/343473967.db2.gz HMJZJSFFKWTYGW-JTQLQIEISA-N 2 0 184.283 0.459 50 0 ACAARP Cc1c[nH+]c2n1C[C@H]([NH3+])CC2 70626520 343507107 /nfs/dbraw/zinc/50/71/07/343507107.db2.gz ZIRKZQMHBYDQLA-SSDOTTSWSA-N 2 0 151.213 0.465 50 0 ACAARP Cc1c[nH+]c2n1C[C@@H]([NH3+])CC2 70626521 343507352 /nfs/dbraw/zinc/50/73/52/343507352.db2.gz ZIRKZQMHBYDQLA-ZETCQYMHSA-N 2 0 151.213 0.465 50 0 ACAARP C[NH+]1CCC(C(=[NH2+])NO)CC1 70663889 343523013 /nfs/dbraw/zinc/52/30/13/343523013.db2.gz VEEWCGJMSJUBTC-UHFFFAOYSA-N 2 0 157.217 0.284 50 0 ACAARP C[NH+](C)[C@@H]1CCC[C@H]([NH3+])C1 71495322 343554134 /nfs/dbraw/zinc/55/41/34/343554134.db2.gz KKGNWXHXFXNADS-JGVFFNPUSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[C@H]([NH3+])C(C)(C)C[NH+](C)C 71372463 343552472 /nfs/dbraw/zinc/55/24/72/343552472.db2.gz ICEDGCVQOZKTIH-ZETCQYMHSA-N 2 0 144.262 0.921 50 0 in-vitro ACAARP C[NH+](C)[C@H]1CC[C@H]([NH3+])C1 71495210 343554002 /nfs/dbraw/zinc/55/40/02/343554002.db2.gz JKGFHDQYKCAVBW-BQBZGAKWSA-N 2 0 128.219 0.428 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@@H]([NH3+])C1 71495211 343554011 /nfs/dbraw/zinc/55/40/11/343554011.db2.gz JKGFHDQYKCAVBW-RNFRBKRXSA-N 2 0 128.219 0.428 50 0 ACAARP C[NH+](C)[C@@H]1CCC[C@@H]([NH3+])C1 71495324 343554048 /nfs/dbraw/zinc/55/40/48/343554048.db2.gz KKGNWXHXFXNADS-HTQZYQBOSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[NH+](C)[C@@H]1CC[C@H]([NH3+])C1 71495209 343554154 /nfs/dbraw/zinc/55/41/54/343554154.db2.gz JKGFHDQYKCAVBW-NKWVEPMBSA-N 2 0 128.219 0.428 50 0 ACAARP C[NH+](C)[C@H]1CCC[C@H]([NH3+])C1 71495323 343554274 /nfs/dbraw/zinc/55/42/74/343554274.db2.gz KKGNWXHXFXNADS-YUMQZZPRSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[NH+](C)[C@H]1CCC[C@@H]([NH3+])C1 71495325 343554285 /nfs/dbraw/zinc/55/42/85/343554285.db2.gz KKGNWXHXFXNADS-SFYZADRCSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[NH+]1CCN([C@@H]2CC[C@@H]([NH3+])C2)CC1 71499442 343554919 /nfs/dbraw/zinc/55/49/19/343554919.db2.gz GOJZQFAKBDQWEN-NXEZZACHSA-N 2 0 183.299 0.114 50 0 ACAARP C[NH+]1CCN([C@H]2CC[C@@H]([NH3+])C2)CC1 71499444 343555049 /nfs/dbraw/zinc/55/50/49/343555049.db2.gz GOJZQFAKBDQWEN-ZJUUUORDSA-N 2 0 183.299 0.114 50 0 ACAARP C[NH+]1CCN([C@H]2CC[C@H]([NH3+])C2)CC1 71499440 343555274 /nfs/dbraw/zinc/55/52/74/343555274.db2.gz GOJZQFAKBDQWEN-UWVGGRQHSA-N 2 0 183.299 0.114 50 0 ACAARP C[NH+]1CCN([C@@H]2CC[C@H]([NH3+])C2)CC1 71499439 343555342 /nfs/dbraw/zinc/55/53/42/343555342.db2.gz GOJZQFAKBDQWEN-VHSXEESVSA-N 2 0 183.299 0.114 50 0 ACAARP CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 71738600 343557423 /nfs/dbraw/zinc/55/74/23/343557423.db2.gz DDSOEYFRYOZCKF-SNVBAGLBSA-N 2 0 185.315 0.232 50 0 ACAARP CN(CCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 71707804 343557457 /nfs/dbraw/zinc/55/74/57/343557457.db2.gz LJFNAECBFBZNLX-LLVKDONJSA-N 2 0 199.342 0.622 50 0 ACAARP C[N@@H+]1CC[C@H](C2CC[NH2+]CC2)C1 71750054 343557500 /nfs/dbraw/zinc/55/75/00/343557500.db2.gz HJSRDORSYFMKLS-JTQLQIEISA-N 2 0 168.284 0.938 50 0 ACAARP CN(CCC[NH+](C)C)[C@H]1CCC[NH2+]C1 71707805 343557657 /nfs/dbraw/zinc/55/76/57/343557657.db2.gz LJFNAECBFBZNLX-NSHDSACASA-N 2 0 199.342 0.622 50 0 ACAARP CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 71738601 343557665 /nfs/dbraw/zinc/55/76/65/343557665.db2.gz DDSOEYFRYOZCKF-JTQLQIEISA-N 2 0 185.315 0.232 50 0 ACAARP C[C@@]1([NH3+])C[NH+]2CCC1CC2 71864052 343559552 /nfs/dbraw/zinc/55/95/52/343559552.db2.gz PLFBGAXIQJPOEX-MRVPVSSYSA-N 2 0 140.230 0.429 50 0 ACAARP C[C@]1([NH3+])C[NH+]2CCC1CC2 71864051 343559574 /nfs/dbraw/zinc/55/95/74/343559574.db2.gz PLFBGAXIQJPOEX-QMMMGPOBSA-N 2 0 140.230 0.429 50 0 ACAARP C[NH+](C)C[C@@H]1CC[N@H+](C)C1 72194210 343560655 /nfs/dbraw/zinc/56/06/55/343560655.db2.gz JUAZDBSPGMXQEN-QMMMGPOBSA-N 2 0 142.246 0.500 50 0 ACAARP C[NH+](C)C[C@H]1CC[N@H+](C)C1 72194209 343560944 /nfs/dbraw/zinc/56/09/44/343560944.db2.gz JUAZDBSPGMXQEN-MRVPVSSYSA-N 2 0 142.246 0.500 50 0 ACAARP C[NH+]1CCN(C[C@@H]2CC[N@@H+](C)C2)CC1 72233291 343567303 /nfs/dbraw/zinc/56/73/03/343567303.db2.gz LLHUGXARJKYRNW-LLVKDONJSA-N 2 0 197.326 0.186 50 0 ACAARP C[NH+](C)CCC(C)(C)[NH3+] 72232736 343567676 /nfs/dbraw/zinc/56/76/76/343567676.db2.gz XJZJEGHBTQCDKG-UHFFFAOYSA-N 2 0 130.235 0.675 50 0 ACAARP C[NH+]1CCN(C[C@H]2CC[N@@H+](C)C2)CC1 72233292 343567684 /nfs/dbraw/zinc/56/76/84/343567684.db2.gz LLHUGXARJKYRNW-NSHDSACASA-N 2 0 197.326 0.186 50 0 ACAARP C[C@H]1C[C@H](N2CC[NH2+]CC2)CC[N@@H+]1C 73655589 343570896 /nfs/dbraw/zinc/57/08/96/343570896.db2.gz GLOYJXHVEIKBSG-WDEREUQCSA-N 2 0 197.326 0.374 50 0 ACAARP C[C@H]1C[C@@H](N2CC[NH2+]CC2)CC[N@@H+]1C 73655597 343571054 /nfs/dbraw/zinc/57/10/54/343571054.db2.gz GLOYJXHVEIKBSG-QWRGUYRKSA-N 2 0 197.326 0.374 50 0 ACAARP CC(C)[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 74941865 343574990 /nfs/dbraw/zinc/57/49/90/343574990.db2.gz GUDNKWNWSKSETH-YUMQZZPRSA-N 2 0 142.246 0.674 50 0 in-vitro ACAARP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 74941863 343575090 /nfs/dbraw/zinc/57/50/90/343575090.db2.gz GUDNKWNWSKSETH-SFYZADRCSA-N 2 0 142.246 0.674 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 77260420 343580517 /nfs/dbraw/zinc/58/05/17/343580517.db2.gz YTUPLWQBDZSEKJ-QMMMGPOBSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@](C)(C[NH3+])C1 77260419 343580801 /nfs/dbraw/zinc/58/08/01/343580801.db2.gz YTUPLWQBDZSEKJ-MRVPVSSYSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 78210760 343582322 /nfs/dbraw/zinc/58/23/22/343582322.db2.gz KAWCNZLKKVCXSN-IUCAKERBSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP C[NH+](C)C1CC([NH3+])C1 78725007 343584385 /nfs/dbraw/zinc/58/43/85/343584385.db2.gz JNMHKIHUTNBSJN-UHFFFAOYSA-N 2 0 114.192 0.038 50 0 in-vitro ACAARP CC(C)[N@H+](C)C1CCN(CC[NH3+])CC1 79419004 343588240 /nfs/dbraw/zinc/58/82/40/343588240.db2.gz RSFGKKNVQCGLPS-UHFFFAOYSA-N 2 0 199.342 0.750 50 0 ACAARP C[C@H](C[NH3+])[C@H]1CCC[N@@H+]1C 82028005 343594866 /nfs/dbraw/zinc/59/48/66/343594866.db2.gz BDFFLNPSIJVLES-HTQZYQBOSA-N 2 0 142.246 0.675 50 0 in-vitro ACAARP CC1([NH3+])CC[NH2+]CC1 82046523 343595114 /nfs/dbraw/zinc/59/51/14/343595114.db2.gz RZOQTVTZVPADOP-UHFFFAOYSA-N 2 0 114.192 0.087 50 0 in-vitro ACAARP C[C@H](C[NH3+])[C@@H]1CCC[N@@H+]1C 82028003 343595178 /nfs/dbraw/zinc/59/51/78/343595178.db2.gz BDFFLNPSIJVLES-SFYZADRCSA-N 2 0 142.246 0.675 50 0 in-vitro ACAARP C[N@H+]1C[C@H]2C[C@@H](C[NH3+])CC[C@H]2C1 82401693 343601332 /nfs/dbraw/zinc/60/13/32/343601332.db2.gz KMKLGROJUUVCRC-LPEHRKFASA-N 2 0 168.284 0.923 50 0 ACAARP C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 82406923 343602618 /nfs/dbraw/zinc/60/26/18/343602618.db2.gz KAWCNZLKKVCXSN-RKDXNWHRSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP CC[C@@H]1C[N@H+](C)CCC[NH2+]1 82409573 343602277 /nfs/dbraw/zinc/60/22/77/343602277.db2.gz GQRSANGDSYJTQN-MRVPVSSYSA-N 2 0 142.246 0.690 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@H]2C[NH2+]CC[C@H]21 82410151 343602411 /nfs/dbraw/zinc/60/24/11/343602411.db2.gz APQINZAHFHXIRJ-HTQZYQBOSA-N 2 0 140.230 0.300 50 0 in-vitro ACAARP C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 82409604 343602456 /nfs/dbraw/zinc/60/24/56/343602456.db2.gz NQAINYVXJLGSMR-ZETCQYMHSA-N 2 0 142.246 0.675 50 0 ACAARP C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 82410152 343602569 /nfs/dbraw/zinc/60/25/69/343602569.db2.gz BNLKJYVQFIOOTE-YUMQZZPRSA-N 2 0 140.230 0.158 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 82409605 343602610 /nfs/dbraw/zinc/60/26/10/343602610.db2.gz NQAINYVXJLGSMR-SSDOTTSWSA-N 2 0 142.246 0.675 50 0 ACAARP CC[C@H]1C[N@H+](C)CCC[NH2+]1 82409574 343602641 /nfs/dbraw/zinc/60/26/41/343602641.db2.gz GQRSANGDSYJTQN-QMMMGPOBSA-N 2 0 142.246 0.690 50 0 in-vitro ACAARP C[N@@H+]1CC[C@H]([NH3+])C1(C)C 82411196 343602958 /nfs/dbraw/zinc/60/29/58/343602958.db2.gz XKXMIYMWONOXEY-LURJTMIESA-N 2 0 128.219 0.428 50 0 ACAARP C[N@@H+]1CC[C@@H]([NH3+])C1(C)C 82411195 343603298 /nfs/dbraw/zinc/60/32/98/343603298.db2.gz XKXMIYMWONOXEY-ZCFIWIBFSA-N 2 0 128.219 0.428 50 0 ACAARP C[NH2+]CCCN(C)CC[NH+](C)C 82540970 343606479 /nfs/dbraw/zinc/60/64/79/343606479.db2.gz WNLFEWYIGMEAAY-UHFFFAOYSA-N 2 0 173.304 0.089 50 0 in-vitro ACAARP C[NH+](C)C(C)(C)CN1CC[NH2+]CC1 82635856 343608674 /nfs/dbraw/zinc/60/86/74/343608674.db2.gz ZZIBEZRLOHBQFG-UHFFFAOYSA-N 2 0 185.315 0.232 50 0 ACAARP C[C@H]([NH3+])[C@@H]1CCC[NH2+]C1 82645586 343609218 /nfs/dbraw/zinc/60/92/18/343609218.db2.gz KVDCUZAVCKTODV-NKWVEPMBSA-N 2 0 128.219 0.333 50 0 ACAARP C[C@H]([NH3+])[C@H]1CCC[NH2+]C1 82645588 343609234 /nfs/dbraw/zinc/60/92/34/343609234.db2.gz KVDCUZAVCKTODV-BQBZGAKWSA-N 2 0 128.219 0.333 50 0 ACAARP C[NH2+]CCC(C)(C)[NH3+] 82773064 343612464 /nfs/dbraw/zinc/61/24/64/343612464.db2.gz CEXOTARNUNKHAK-UHFFFAOYSA-N 2 0 116.208 0.333 50 0 ACAARP C[NH+]1CCC(C)(C[NH3+])CC1 82839177 343613184 /nfs/dbraw/zinc/61/31/84/343613184.db2.gz KLICKMOJMSMPFD-UHFFFAOYSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP C[C@H]1[C@@H](C[NH3+])CC[N@@H+]1C 82836393 343613321 /nfs/dbraw/zinc/61/33/21/343613321.db2.gz YVDIJLQWKDKXEJ-NKWVEPMBSA-N 2 0 128.219 0.285 50 0 ACAARP C[N@@H+]1CC[C@@H](CCC[NH3+])C1 82839187 343613340 /nfs/dbraw/zinc/61/33/40/343613340.db2.gz RLIPJKXTTARVGJ-MRVPVSSYSA-N 2 0 142.246 0.677 50 0 ACAARP C[NH+](C)CC[C@H]1CC[NH2+]C1 82839165 343613497 /nfs/dbraw/zinc/61/34/97/343613497.db2.gz FIDIPXDLHOMWCI-MRVPVSSYSA-N 2 0 142.246 0.548 50 0 ACAARP C[N@@H+]1CC[C@H](CCC[NH3+])C1 82839186 343613520 /nfs/dbraw/zinc/61/35/20/343613520.db2.gz RLIPJKXTTARVGJ-QMMMGPOBSA-N 2 0 142.246 0.677 50 0 ACAARP C[C@H]1[C@H](C[NH3+])CC[N@@H+]1C 82836389 343613545 /nfs/dbraw/zinc/61/35/45/343613545.db2.gz YVDIJLQWKDKXEJ-BQBZGAKWSA-N 2 0 128.219 0.285 50 0 ACAARP C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 83268608 343618026 /nfs/dbraw/zinc/61/80/26/343618026.db2.gz BMRRCEKQTKZDPU-DTWKUNHWSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 83268609 343618408 /nfs/dbraw/zinc/61/84/08/343618408.db2.gz KAWCNZLKKVCXSN-DTWKUNHWSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP CC1(O)CC[NH+](C2CC[NH2+]CC2)CC1 83824357 343625137 /nfs/dbraw/zinc/62/51/37/343625137.db2.gz GAFCCFSRWSVRLG-UHFFFAOYSA-N 2 0 198.310 0.585 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]2C1 83847893 343625496 /nfs/dbraw/zinc/62/54/96/343625496.db2.gz RGHFJEXYVWRXCY-KXUCPTDWSA-N 2 0 184.283 0.458 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]2C1 83847888 343625724 /nfs/dbraw/zinc/62/57/24/343625724.db2.gz RGHFJEXYVWRXCY-OPRDCNLKSA-N 2 0 184.283 0.458 50 0 ACAARP C[NH+](C)CC1(C[NH3+])CCC1 85390605 343642820 /nfs/dbraw/zinc/64/28/20/343642820.db2.gz AEIVLHAXVQMNGG-UHFFFAOYSA-N 2 0 142.246 0.677 50 0 ACAARP C[N@H+](CC1CC1)C1CC([NH3+])C1 87653290 343662734 /nfs/dbraw/zinc/66/27/34/343662734.db2.gz SJXZWUVLKSKQLK-UHFFFAOYSA-N 2 0 154.257 0.818 50 0 ACAARP [NH3+]C1CC[NH+](CCCF)CC1 88023883 343665899 /nfs/dbraw/zinc/66/58/99/343665899.db2.gz GVGZEWLJBJNCBM-UHFFFAOYSA-N 2 0 160.236 0.769 50 0 ACAARP C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 88248171 343669432 /nfs/dbraw/zinc/66/94/32/343669432.db2.gz OQHQOOLVQDEIGL-QMMMGPOBSA-N 2 0 140.230 0.302 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 88248173 343669784 /nfs/dbraw/zinc/66/97/84/343669784.db2.gz OQHQOOLVQDEIGL-MRVPVSSYSA-N 2 0 140.230 0.302 50 0 in-vitro ACAARP CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 88287346 343669849 /nfs/dbraw/zinc/66/98/49/343669849.db2.gz VQPNFKCQRQGJPG-IUCAKERBSA-N 2 0 154.257 0.548 50 0 ACAARP CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88287342 343669885 /nfs/dbraw/zinc/66/98/85/343669885.db2.gz VQPNFKCQRQGJPG-DTORHVGOSA-N 2 0 154.257 0.548 50 0 ACAARP CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 88287343 343670117 /nfs/dbraw/zinc/67/01/17/343670117.db2.gz VQPNFKCQRQGJPG-RKDXNWHRSA-N 2 0 154.257 0.548 50 0 ACAARP C[N@H+]1CC=C(CC[NH3+])CC1 88611786 343671680 /nfs/dbraw/zinc/67/16/80/343671680.db2.gz NVKKKSVOSONJJV-UHFFFAOYSA-N 2 0 140.230 0.597 50 0 in-vitro ACAARP CN(C)CC[NH+]1CCC(C[NH3+])CC1 88616756 343671844 /nfs/dbraw/zinc/67/18/44/343671844.db2.gz DWNORVYKHXAOKK-UHFFFAOYSA-N 2 0 185.315 0.219 50 0 in-vitro ACAARP C[N@H+]1CC=C(C[NH3+])CC1 90225794 343675102 /nfs/dbraw/zinc/67/51/02/343675102.db2.gz XUELPHBYTUIHJB-UHFFFAOYSA-N 2 0 126.203 0.207 50 0 in-vitro ACAARP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH3+] 95079626 343679447 /nfs/dbraw/zinc/67/94/47/343679447.db2.gz FRDZGSBXKJXGNR-JGVFFNPUSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[NH+](C)[C@H]1CCCC[C@@H]1[NH3+] 95079627 343679538 /nfs/dbraw/zinc/67/95/38/343679538.db2.gz FRDZGSBXKJXGNR-YUMQZZPRSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[NH+](C)[C@@H]1CCCC[C@H]1[NH3+] 95079628 343679653 /nfs/dbraw/zinc/67/96/53/343679653.db2.gz FRDZGSBXKJXGNR-HTQZYQBOSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[NH+](C)[C@H]1CCCC[C@H]1[NH3+] 95079629 343679676 /nfs/dbraw/zinc/67/96/76/343679676.db2.gz FRDZGSBXKJXGNR-SFYZADRCSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[NH2+]CCN1CCCC1 95093693 343680934 /nfs/dbraw/zinc/68/09/34/343680934.db2.gz GYGYDOOXVKDZCF-UHFFFAOYSA-N 2 0 128.219 0.302 50 0 in-vitro ACAARP C[C@H]([NH3+])C1=CC[N@H+](C)CC1 95347904 343683090 /nfs/dbraw/zinc/68/30/90/343683090.db2.gz FGXZEDMDGLAUPT-ZETCQYMHSA-N 2 0 140.230 0.596 50 0 in-vitro ACAARP C[NH+](C)C1(C)CC[NH2+]CC1 95627265 343684423 /nfs/dbraw/zinc/68/44/23/343684423.db2.gz KAFVUPUKCZHWJJ-UHFFFAOYSA-N 2 0 142.246 0.690 50 0 ACAARP CCC1([NH3+])CC[NH2+]CC1 98213837 343707774 /nfs/dbraw/zinc/70/77/74/343707774.db2.gz GVRBMDIVXNBXEK-UHFFFAOYSA-N 2 0 128.219 0.477 50 0 ACAARP C[N@@H+]1[C@H]2CCC[C@@H]1C[C@H]([NH3+])C2 100004023 343707910 /nfs/dbraw/zinc/70/79/10/343707910.db2.gz HTZWHTQVHWHSHN-AYMMMOKOSA-N 2 0 154.257 0.960 50 0 in-vitro ACAARP C[N@@H+]1[C@H]2CCC[C@@H]1C[C@@H]([NH3+])C2 100005263 343708285 /nfs/dbraw/zinc/70/82/85/343708285.db2.gz HTZWHTQVHWHSHN-PSVAKVPMSA-N 2 0 154.257 0.960 50 0 in-vitro ACAARP C[NH+](C)[C@H]1CC[C@H]([NH3+])CC1 100085606 343710835 /nfs/dbraw/zinc/71/08/35/343710835.db2.gz GNGZZWTXFNFCMU-OCAPTIKFSA-N 2 0 142.246 0.818 50 0 in-vitro ACAARP C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 100111726 343711262 /nfs/dbraw/zinc/71/12/62/343711262.db2.gz HJGMRAKQWLKWMH-WHUPJOBBSA-N 2 0 140.230 0.570 50 0 in-vitro ACAARP C[NH+](C)[C@H]1CC[C@@H]([NH3+])CC1 100203561 343712664 /nfs/dbraw/zinc/71/26/64/343712664.db2.gz GNGZZWTXFNFCMU-ZKCHVHJHSA-N 2 0 142.246 0.818 50 0 ACAARP C[NH+](C)[C@@H]1[C@H]2CC[C@@H]1C[NH2+]C2 100294673 343714830 /nfs/dbraw/zinc/71/48/30/343714830.db2.gz YWBICKVWQPKKHN-BRPSZJMVSA-N 2 0 154.257 0.546 50 0 ACAARP C[NH+](C)C[C@@H]1[C@H]2C[NH2+]C[C@H]21 100293655 343714847 /nfs/dbraw/zinc/71/48/47/343714847.db2.gz HEKRAZZYXOMTOL-JIGDXULJSA-N 2 0 140.230 0.013 50 0 ACAARP C[NH+](C)[C@H]1C[C@@H]([NH3+])C1 100446507 343716938 /nfs/dbraw/zinc/71/69/38/343716938.db2.gz JNMHKIHUTNBSJN-IZLXSQMJSA-N 2 0 114.192 0.038 50 0 ACAARP C[NH+]1CCN(C2=CC[N@H+](C)CC2)CC1 100911975 343721103 /nfs/dbraw/zinc/72/11/03/343721103.db2.gz KKKIRHHSASWSGN-UHFFFAOYSA-N 2 0 195.310 0.453 50 0 ACAARP [NH3+][C@@H]1CC[N@@H+]2CCCC[C@H]12 101266571 343723163 /nfs/dbraw/zinc/72/31/63/343723163.db2.gz RBFAPBHHGYLKEK-HTQZYQBOSA-N 2 0 140.230 0.572 50 0 ACAARP [NH3+][C@H]1CC[N@@H+]2CCCC[C@H]12 101266573 343723185 /nfs/dbraw/zinc/72/31/85/343723185.db2.gz RBFAPBHHGYLKEK-JGVFFNPUSA-N 2 0 140.230 0.572 50 0 ACAARP C[N@@H+]1C[C@@H]2CC[C@@H](C[NH3+])C[C@H]2C1 102205361 343725560 /nfs/dbraw/zinc/72/55/60/343725560.db2.gz KMKLGROJUUVCRC-UTLUCORTSA-N 2 0 168.284 0.923 50 0 ACAARP C[N@@H+]1C[C@@H]2CC[C@H](C[NH3+])C[C@H]2C1 102205363 343725664 /nfs/dbraw/zinc/72/56/64/343725664.db2.gz KMKLGROJUUVCRC-GUBZILKMSA-N 2 0 168.284 0.923 50 0 ACAARP CC(C)NC(=[NH2+])NC(=[NH2+])NC(C)C 102250192 343725873 /nfs/dbraw/zinc/72/58/73/343725873.db2.gz OWPVXRBXFUWWJQ-UHFFFAOYSA-N 2 0 185.275 0.442 50 0 in-vitro ACAARP [NH3+]C12CCCC([NH3+])(C1)C2 104589634 343733431 /nfs/dbraw/zinc/73/34/31/343733431.db2.gz ZGDHNHLUBJVRGJ-UHFFFAOYSA-N 2 0 126.203 0.359 50 0 ACAARP C[NH+](C)CCC[C@@H]1C[NH2+]CCO1 115070139 343765368 /nfs/dbraw/zinc/76/53/68/343765368.db2.gz YPQZMGXGTNXGAM-SECBINFHSA-N 2 0 172.272 0.317 50 0 ACAARP C[NH+](C)CCC[C@H]1C[NH2+]CCO1 115070142 343765665 /nfs/dbraw/zinc/76/56/65/343765665.db2.gz YPQZMGXGTNXGAM-VIFPVBQESA-N 2 0 172.272 0.317 50 0 ACAARP C[NH2+][C@H]1CC[C@@H]([NH3+])CC1 117034508 343772152 /nfs/dbraw/zinc/77/21/52/343772152.db2.gz OBLKGLNRMMXCFW-LJGSYFOKSA-N 2 0 128.219 0.476 50 0 ACAARP C[N@@H+]1CC[C@H](OC2CC[NH2+]CC2)C1 117576117 343772640 /nfs/dbraw/zinc/77/26/40/343772640.db2.gz LBNWKYKQUAGHLO-JTQLQIEISA-N 2 0 184.283 0.459 50 0 ACAARP C[N@@H+]1CC[C@@H](OC2CC[NH2+]CC2)C1 117576120 343772835 /nfs/dbraw/zinc/77/28/35/343772835.db2.gz LBNWKYKQUAGHLO-SNVBAGLBSA-N 2 0 184.283 0.459 50 0 ACAARP [NH3+]Cc1cccc2c1CC[NH2+]C2 125650474 343791393 /nfs/dbraw/zinc/79/13/93/343791393.db2.gz KFMLTYWCWVYQIL-UHFFFAOYSA-N 2 0 162.236 0.791 50 0 ACAARP [NH3+]C12CCC([NH3+])(CC1)C2 138723684 343989828 /nfs/dbraw/zinc/98/98/28/343989828.db2.gz OJPPCWGKNSHPEU-UHFFFAOYSA-N 2 0 126.203 0.359 50 0 in-vitro ACAARP C[N@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 142819316 344015275 /nfs/dbraw/zinc/01/52/75/344015275.db2.gz HKEYMXAVHZTUBS-RNJXMRFFSA-N 2 0 140.230 0.285 50 0 ACAARP CN1CC[NH+]([C@H]2CC[C@H]([NH3+])CC2)CC1 142973842 344016161 /nfs/dbraw/zinc/01/61/61/344016161.db2.gz CFAJUZYHRQDOHA-PHIMTYICSA-N 2 0 197.326 0.504 50 0 ACAARP COc1cc(C[NH3+])ccc1C[NH3+] 145622195 344034579 /nfs/dbraw/zinc/03/45/79/344034579.db2.gz ZKOUUICPFVSGGQ-UHFFFAOYSA-N 2 0 166.224 0.613 50 0 ACAARP N#CC1CCN(C2CC[NH2+]CC2)CC1 145923216 344037173 /nfs/dbraw/zinc/03/71/73/344037173.db2.gz ANDRXMAVSOONTQ-UHFFFAOYSA-N 2 0 193.294 0.974 50 0 ACAARP C[NH2+][C@H]1CC[C@@H]([NH2+]C)CC1 148360163 344053816 /nfs/dbraw/zinc/05/38/16/344053816.db2.gz XDCMXOFKBHKHGP-ZKCHVHJHSA-N 2 0 142.246 0.736 50 0 ACAARP C[N@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 158742877 344131907 /nfs/dbraw/zinc/13/19/07/344131907.db2.gz WDTYUDKGVGNUJZ-YIZRAAEISA-N 2 0 154.257 0.675 50 0 ACAARP OC1CC[NH+]([C@@H]2CCC[NH2+]CC2)CC1 160714215 344175372 /nfs/dbraw/zinc/17/53/72/344175372.db2.gz YJVVGDWBXMRDDA-SNVBAGLBSA-N 2 0 198.310 0.585 50 0 ACAARP OC1CC[NH+]([C@H]2CCC[NH2+]CC2)CC1 160714091 344175589 /nfs/dbraw/zinc/17/55/89/344175589.db2.gz YJVVGDWBXMRDDA-JTQLQIEISA-N 2 0 198.310 0.585 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 167402973 344304264 /nfs/dbraw/zinc/30/42/64/344304264.db2.gz DNBZMSWRBIYIPY-DJLDLDEBSA-N 2 0 154.257 0.546 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]21 167402760 344304410 /nfs/dbraw/zinc/30/44/10/344304410.db2.gz DNBZMSWRBIYIPY-IWSPIJDZSA-N 2 0 154.257 0.546 50 0 ACAARP [NH3+][C@H]1C[C@H]([NH+]2CCCC2)C1 167799273 344314490 /nfs/dbraw/zinc/31/44/90/344314490.db2.gz SDCMTTFEMUUERF-OCAPTIKFSA-N 2 0 140.230 0.572 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]21 204284848 344369160 /nfs/dbraw/zinc/36/91/60/344369160.db2.gz DNBZMSWRBIYIPY-HRDYMLBCSA-N 2 0 154.257 0.546 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 204284821 344369405 /nfs/dbraw/zinc/36/94/05/344369405.db2.gz DNBZMSWRBIYIPY-XHNCKOQMSA-N 2 0 154.257 0.546 50 0 ACAARP CC1(C)[NH2+]CC[C@@H]1N1CCC[C@H](O)C1 205361226 344371037 /nfs/dbraw/zinc/37/10/37/344371037.db2.gz IWPLPUHCKYAKQK-UWVGGRQHSA-N 2 0 198.310 0.584 50 0 ACAARP CC1(C)[NH2+]CC[C@H]1N1CC[C@H](O)C1 205361529 344371097 /nfs/dbraw/zinc/37/10/97/344371097.db2.gz BSGWXBLKTVSRLJ-DTWKUNHWSA-N 2 0 184.283 0.194 50 0 ACAARP CC1(C)[NH2+]CC[C@H]1N1CCC[C@H](O)C1 205361212 344371156 /nfs/dbraw/zinc/37/11/56/344371156.db2.gz IWPLPUHCKYAKQK-VHSXEESVSA-N 2 0 198.310 0.584 50 0 ACAARP C[NH+](C)[C@@H]1CCC[C@H]2C[NH2+]C[C@@H]21 205542004 344374158 /nfs/dbraw/zinc/37/41/58/344374158.db2.gz MWWXUPBDUJCOLX-LPEHRKFASA-N 2 0 168.284 0.936 50 0 ACAARP C[NH+](C)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 205542024 344374291 /nfs/dbraw/zinc/37/42/91/344374291.db2.gz MWWXUPBDUJCOLX-KXUCPTDWSA-N 2 0 168.284 0.936 50 0 ACAARP O[C@]1(C[NH+]2CCCCC2)CC[NH2+]C1 212045562 344379430 /nfs/dbraw/zinc/37/94/30/344379430.db2.gz XFKBUDUPBBULRW-SNVBAGLBSA-N 2 0 184.283 0.197 50 0 ACAARP O[C@@]1(C[NH+]2CCCCC2)CC[NH2+]C1 212045487 344379534 /nfs/dbraw/zinc/37/95/34/344379534.db2.gz XFKBUDUPBBULRW-JTQLQIEISA-N 2 0 184.283 0.197 50 0 ACAARP C[C@H]1C[C@H]1[N@@H+]1CC[NH2+]C[C@@H](C)C1 216465790 344397465 /nfs/dbraw/zinc/39/74/65/344397465.db2.gz PCVJSECWGNSVQE-KXUCPTDWSA-N 2 0 168.284 0.936 50 0 in-vitro ACAARP C[C@H]1C[C@@H]1[N@@H+]1CC[NH2+]C[C@@H](C)C1 216465708 344397593 /nfs/dbraw/zinc/39/75/93/344397593.db2.gz PCVJSECWGNSVQE-UTLUCORTSA-N 2 0 168.284 0.936 50 0 in-vitro ACAARP C[N@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228067145 344556665 /nfs/dbraw/zinc/55/66/65/344556665.db2.gz WDTYUDKGVGNUJZ-DJLDLDEBSA-N 2 0 154.257 0.675 50 0 ACAARP C[NH2+]C12CC([NH2+]C)(C1)C2 230503916 344636981 /nfs/dbraw/zinc/63/69/81/344636981.db2.gz ZQQYNGOUGPMTFF-UHFFFAOYSA-N 2 0 126.203 0.100 50 0 in-vitro ACAARP C1C[C@H](CC[C@H]2CC[NH2+]C2)C[NH2+]1 238033893 344791482 /nfs/dbraw/zinc/79/14/82/344791482.db2.gz ROZPUZSGMPMUQE-UWVGGRQHSA-N 2 0 168.284 0.986 50 0 ACAARP C1C[C@@H](CC[C@@H]2CC[NH2+]C2)C[NH2+]1 238030122 344791719 /nfs/dbraw/zinc/79/17/19/344791719.db2.gz ROZPUZSGMPMUQE-NXEZZACHSA-N 2 0 168.284 0.986 50 0 ACAARP C1C[C@H](CC[C@@H]2CC[NH2+]C2)C[NH2+]1 238030149 344791721 /nfs/dbraw/zinc/79/17/21/344791721.db2.gz ROZPUZSGMPMUQE-AOOOYVTPSA-N 2 0 168.284 0.986 50 0 ACAARP CC1([NH+]2CCC(O)CC2)CC[NH2+]CC1 238238488 344796642 /nfs/dbraw/zinc/79/66/42/344796642.db2.gz SLWPGFFXCYFPMF-UHFFFAOYSA-N 2 0 198.310 0.585 50 0 ACAARP CC[C@@H]1C[N@H+](C)CC[C@H]1[NH3+] 238267081 344798128 /nfs/dbraw/zinc/79/81/28/344798128.db2.gz IIBJSSXWRVFQHK-HTQZYQBOSA-N 2 0 142.246 0.675 50 0 ACAARP C[C@H]([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](O)C1 238425852 344806094 /nfs/dbraw/zinc/80/60/94/344806094.db2.gz DTOPDICROYGMMP-KXUCPTDWSA-N 2 0 184.283 0.051 50 0 ACAARP C[C@H]([C@H]1CC[NH2+]C1)N1CCOCC1 238425834 344806127 /nfs/dbraw/zinc/80/61/27/344806127.db2.gz FFHKMKDBJOIJCX-ZJUUUORDSA-N 2 0 184.283 0.317 50 0 ACAARP C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 238850431 344823292 /nfs/dbraw/zinc/82/32/92/344823292.db2.gz BNLKJYVQFIOOTE-SFYZADRCSA-N 2 0 140.230 0.158 50 0 in-vitro ACAARP C[NH+](C)[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]2C1 238855284 344824013 /nfs/dbraw/zinc/82/40/13/344824013.db2.gz RGHFJEXYVWRXCY-UTLUCORTSA-N 2 0 184.283 0.458 50 0 ACAARP C[C@H]1C[N@H+](C)CC[C@H]1N1CC[NH2+]CC1 242728127 344825741 /nfs/dbraw/zinc/82/57/41/344825741.db2.gz YUGJABFUFIIICU-WDEREUQCSA-N 2 0 197.326 0.232 50 0 ACAARP C[N@H+]1C[C@H]2C[C@H]([NH3+])CC[C@H]2C1 250653603 344838461 /nfs/dbraw/zinc/83/84/61/344838461.db2.gz XIBWVLMVXUPBMI-DJLDLDEBSA-N 2 0 154.257 0.675 50 0 ACAARP C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])C[C@H]2C1 250653605 344838576 /nfs/dbraw/zinc/83/85/76/344838576.db2.gz XIBWVLMVXUPBMI-XHNCKOQMSA-N 2 0 154.257 0.675 50 0 ACAARP C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])C[C@H]2C1 250653602 344838618 /nfs/dbraw/zinc/83/86/18/344838618.db2.gz XIBWVLMVXUPBMI-CIUDSAMLSA-N 2 0 154.257 0.675 50 0 ACAARP C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252707128 344909695 /nfs/dbraw/zinc/90/96/95/344909695.db2.gz WDTYUDKGVGNUJZ-XHNCKOQMSA-N 2 0 154.257 0.675 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 306331443 345208584 /nfs/dbraw/zinc/20/85/84/345208584.db2.gz CBTYXLKTWPUUOY-IVZWLZJFSA-N 2 0 168.284 0.936 50 0 ACAARP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](O)C1 306394427 345257057 /nfs/dbraw/zinc/25/70/57/345257057.db2.gz DTOPDICROYGMMP-BBBLOLIVSA-N 2 0 184.283 0.051 50 0 ACAARP C[C@H]([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](O)C1 306394428 345257083 /nfs/dbraw/zinc/25/70/83/345257083.db2.gz DTOPDICROYGMMP-UTLUCORTSA-N 2 0 184.283 0.051 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306561820 345437767 /nfs/dbraw/zinc/43/77/67/345437767.db2.gz CBTYXLKTWPUUOY-KXUCPTDWSA-N 2 0 168.284 0.936 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 306561822 345437828 /nfs/dbraw/zinc/43/78/28/345437828.db2.gz CBTYXLKTWPUUOY-OPRDCNLKSA-N 2 0 168.284 0.936 50 0 ACAARP C[NH+](C)[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 306561821 345437829 /nfs/dbraw/zinc/43/78/29/345437829.db2.gz CBTYXLKTWPUUOY-LPEHRKFASA-N 2 0 168.284 0.936 50 0 ACAARP C[NH+](C)[C@@H]1CCC[C@H]2C[NH2+]C[C@H]21 306638266 345506167 /nfs/dbraw/zinc/50/61/67/345506167.db2.gz MWWXUPBDUJCOLX-IVZWLZJFSA-N 2 0 168.284 0.936 50 0 ACAARP C[NH+](C)[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 306638267 345506182 /nfs/dbraw/zinc/50/61/82/345506182.db2.gz MWWXUPBDUJCOLX-OPRDCNLKSA-N 2 0 168.284 0.936 50 0 ACAARP C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307023275 345759605 /nfs/dbraw/zinc/75/96/05/345759605.db2.gz HKEYMXAVHZTUBS-FXQIFTODSA-N 2 0 140.230 0.285 50 0 ACAARP C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307023274 345759930 /nfs/dbraw/zinc/75/99/30/345759930.db2.gz HKEYMXAVHZTUBS-BIIVOSGPSA-N 2 0 140.230 0.285 50 0 ACAARP C[NH+](C)[C@H]1C[C@@H](C[NH3+])C1 307065038 345789057 /nfs/dbraw/zinc/78/90/57/345789057.db2.gz SKFBUDMRUFCRQW-KNVOCYPGSA-N 2 0 128.219 0.285 50 0 ACAARP C[NH+](C)[C@H]1C[C@H]([NH3+])C1(C)C 307667891 346173203 /nfs/dbraw/zinc/17/32/03/346173203.db2.gz POOAEGFASWJIKL-BQBZGAKWSA-N 2 0 142.246 0.674 50 0 ACAARP C[NH+](C)[C@H]1C[C@@H]([NH3+])C1(C)C 307667894 346173399 /nfs/dbraw/zinc/17/33/99/346173399.db2.gz POOAEGFASWJIKL-RQJHMYQMSA-N 2 0 142.246 0.674 50 0 ACAARP C[NH+](C)[C@@H]1C[C@H]([NH3+])C1(C)C 307667892 346173470 /nfs/dbraw/zinc/17/34/70/346173470.db2.gz POOAEGFASWJIKL-NKWVEPMBSA-N 2 0 142.246 0.674 50 0 ACAARP C[NH+](C)[C@@H]1C[C@@H]([NH3+])C1(C)C 307667893 346173522 /nfs/dbraw/zinc/17/35/22/346173522.db2.gz POOAEGFASWJIKL-RNFRBKRXSA-N 2 0 142.246 0.674 50 0 ACAARP C[C@@H]1OCC2(CC[NH2+]CC2)[C@@H]1[NH3+] 584626935 346733092 /nfs/dbraw/zinc/73/30/92/346733092.db2.gz QORIMRSQLRAMSF-JGVFFNPUSA-N 2 0 170.256 0.102 50 0 ACAARP CC1([NH+]2CCC2)CC[NH2+]CC1 584883956 346752256 /nfs/dbraw/zinc/75/22/56/346752256.db2.gz CFZNCZAFDBBLRZ-UHFFFAOYSA-N 2 0 154.257 0.834 50 0 ACAARP C[NH+](C)CC1C[C@H]2C[NH2+]C[C@@H]2C1 601012347 346918605 /nfs/dbraw/zinc/91/86/05/346918605.db2.gz AXKWYKWLTPFTMN-UWVGGRQHSA-N 2 0 168.284 0.794 50 0 ACAARP C[NH+](C)CC1C[C@@H]2C[NH2+]C[C@H]2C1 601012346 346918655 /nfs/dbraw/zinc/91/86/55/346918655.db2.gz AXKWYKWLTPFTMN-NXEZZACHSA-N 2 0 168.284 0.794 50 0 ACAARP CC1([N@@H+]2CC[C@H](O)C2)CC[NH2+]CC1 601012571 346918747 /nfs/dbraw/zinc/91/87/47/346918747.db2.gz NVGPGKPLCXFRNV-VIFPVBQESA-N 2 0 184.283 0.195 50 0 ACAARP CC1([N@@H+]2CC[C@@H](O)C2)CC[NH2+]CC1 601012570 346918770 /nfs/dbraw/zinc/91/87/70/346918770.db2.gz NVGPGKPLCXFRNV-SECBINFHSA-N 2 0 184.283 0.195 50 0 ACAARP c1cc[n+](C[n+]2ccccc2)cc1 40373 351268261 /nfs/dbraw/zinc/26/82/61/351268261.db2.gz JOICOUCDZBPSHL-UHFFFAOYSA-N 2 0 172.231 0.767 50 0 ACAARP c1cc[n+]2c(c1)-c1cccc[n+]1CC2 43472 351268405 /nfs/dbraw/zinc/26/84/05/351268405.db2.gz SYJFEGQWDCRVNX-UHFFFAOYSA-N 2 0 184.242 0.942 50 0 in-vitro ACAARP c1cc[n+](CC[n+]2ccccc2)cc1 395045 351278249 /nfs/dbraw/zinc/27/82/49/351278249.db2.gz AQXSSJVLMRLLQD-UHFFFAOYSA-N 2 0 186.258 0.962 50 0 ACAARP O[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 2559687 351310810 /nfs/dbraw/zinc/31/08/10/351310810.db2.gz NNQUIJQEUBAMTA-SNVBAGLBSA-N 2 0 184.283 0.195 50 0 in-vitro ACAARP OC[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 2559688 351310875 /nfs/dbraw/zinc/31/08/75/351310875.db2.gz PEQIEMJCOKSLBT-SNVBAGLBSA-N 2 0 198.310 0.443 50 0 ACAARP c1nc(C2CC[NH2+]CC2)c[nH]1 2577862 351312922 /nfs/dbraw/zinc/31/29/22/351312922.db2.gz NNDJCSXUAYKMAA-UHFFFAOYSA-N 2 0 151.213 0.877 50 0 ACAARP CC(C)C[NH+]1CCN(C(N)=[NH2+])CC1 2599570 351314598 /nfs/dbraw/zinc/31/45/98/351314598.db2.gz WRCYAXKGLIDQQT-UHFFFAOYSA-N 2 0 184.287 0.153 50 0 ACAARP c1cc(N2CCC[NH2+]CC2)cc[nH+]1 2586031 351314611 /nfs/dbraw/zinc/31/46/11/351314611.db2.gz PKAOAQVMDURQAK-UHFFFAOYSA-N 2 0 177.251 0.881 50 0 in-vitro ACAARP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH3+])C1 4343729 351328383 /nfs/dbraw/zinc/32/83/83/351328383.db2.gz KPCLAQXYYFURIR-RKDXNWHRSA-N 2 0 172.272 0.038 50 0 ACAARP C[n+]1ccc(C[n+]2ccccc2)cc1 5377948 351342409 /nfs/dbraw/zinc/34/24/09/351342409.db2.gz GLZULHLBCYQNHR-UHFFFAOYSA-N 2 0 186.258 0.847 50 0 ACAARP CC(C)C[N@@H+]1CC[C@@H](C[NH3+])C1 11891207 351361767 /nfs/dbraw/zinc/36/17/67/351361767.db2.gz SMPLBVCPNOWSNS-VIFPVBQESA-N 2 0 156.273 0.923 50 0 in-vitro ACAARP CC(C)C[N@@H+]1CC[C@H](C[NH3+])C1 11891212 351362186 /nfs/dbraw/zinc/36/21/86/351362186.db2.gz SMPLBVCPNOWSNS-SECBINFHSA-N 2 0 156.273 0.923 50 0 in-vitro ACAARP O[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 12343449 351363612 /nfs/dbraw/zinc/36/36/12/351363612.db2.gz NNQUIJQEUBAMTA-JTQLQIEISA-N 2 0 184.283 0.195 50 0 in-vitro ACAARP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH3+])C1 13151262 351367590 /nfs/dbraw/zinc/36/75/90/351367590.db2.gz KPCLAQXYYFURIR-BDAKNGLRSA-N 2 0 172.272 0.038 50 0 ACAARP OC[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 19093425 351387979 /nfs/dbraw/zinc/38/79/79/351387979.db2.gz PEQIEMJCOKSLBT-JTQLQIEISA-N 2 0 198.310 0.443 50 0 ACAARP C[C@@H]1C[NH+](CCCC[NH3+])C[C@@H](C)O1 19402116 351389396 /nfs/dbraw/zinc/38/93/96/351389396.db2.gz ODJBPQYPAKLTSU-NXEZZACHSA-N 2 0 186.299 0.835 50 0 in-vitro ACAARP CC[C@@H](C)[NH2+]CCC[NH2+]C 19737014 351393914 /nfs/dbraw/zinc/39/39/14/351393914.db2.gz DTFURJXCALEPFG-MRVPVSSYSA-N 2 0 144.262 0.984 50 0 ACAARP CC[C@@H](C)[NH2+]CCC[NH3+] 19736857 351393976 /nfs/dbraw/zinc/39/39/76/351393976.db2.gz RGAYJNGHWOMPBI-SSDOTTSWSA-N 2 0 130.235 0.723 50 0 ACAARP CC(C)C[N@H+](C)CCC[NH3+] 19834735 351394922 /nfs/dbraw/zinc/39/49/22/351394922.db2.gz IUOMCBLLCDSYCD-UHFFFAOYSA-N 2 0 144.262 0.923 50 0 ACAARP C[C@@H]1C[NH2+]C[C@@H](C)N1CCC[NH+](C)C 19801237 351395865 /nfs/dbraw/zinc/39/58/65/351395865.db2.gz ZXWHJATWPYMCGO-GHMZBOCLSA-N 2 0 199.342 0.620 50 0 ACAARP C[C@@H]1C[NH2+]C[C@@H](C)N1CC[NH+](C)C 19801233 351395871 /nfs/dbraw/zinc/39/58/71/351395871.db2.gz HPISDENDJFRNNH-NXEZZACHSA-N 2 0 185.315 0.230 50 0 ACAARP OC1CC[NH+](CC2CC[NH2+]CC2)CC1 20439615 351405347 /nfs/dbraw/zinc/40/53/47/351405347.db2.gz DJSIQNWLZJXUHG-UHFFFAOYSA-N 2 0 198.310 0.443 50 0 ACAARP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH3+] 22130072 351411896 /nfs/dbraw/zinc/41/18/96/351411896.db2.gz WLFDKDVGHUCVFY-RQJHMYQMSA-N 2 0 128.219 0.285 50 0 in-vitro ACAARP C[C@@H]1C[N@H+](C)CCC[NH2+]1 23093928 351415011 /nfs/dbraw/zinc/41/50/11/351415011.db2.gz CPZHVHQMQBDZMW-SSDOTTSWSA-N 2 0 128.219 0.300 50 0 in-vitro ACAARP C[C@@H]1C[C@H]([NH3+])CC[NH2+]1 26460156 351418999 /nfs/dbraw/zinc/41/89/99/351418999.db2.gz ROCOIOKGIYJZNN-PHDIDXHHSA-N 2 0 114.192 0.086 50 0 ACAARP C[C@@H]1C[C@@H]([NH3+])CC[NH2+]1 26460143 351419498 /nfs/dbraw/zinc/41/94/98/351419498.db2.gz ROCOIOKGIYJZNN-RITPCOANSA-N 2 0 114.192 0.086 50 0 ACAARP CC(C)([NH3+])C[NH+]1CCCC1 32445506 351428919 /nfs/dbraw/zinc/42/89/19/351428919.db2.gz MWBKOGAZOXPSCI-UHFFFAOYSA-N 2 0 142.246 0.820 50 0 in-vitro ACAARP CC[NH+]1CCC(OCCC[NH3+])CC1 32919549 351430305 /nfs/dbraw/zinc/43/03/05/351430305.db2.gz KIGCFAHOENIXCU-UHFFFAOYSA-N 2 0 186.299 0.836 50 0 in-vitro ACAARP CC(C)C[C@@](C)([NH3+])C[NH3+] 33878153 351432844 /nfs/dbraw/zinc/43/28/44/351432844.db2.gz JIWVNNBIBQCVCD-SSDOTTSWSA-N 2 0 130.235 0.709 50 0 in-vitro ACAARP CC(C)C[C@](C)([NH3+])C[NH3+] 33878152 351432887 /nfs/dbraw/zinc/43/28/87/351432887.db2.gz JIWVNNBIBQCVCD-ZETCQYMHSA-N 2 0 130.235 0.709 50 0 in-vitro ACAARP CC(C)([NH3+])CCC[NH3+] 34164083 351435914 /nfs/dbraw/zinc/43/59/14/351435914.db2.gz WHLFXPIYRPOHGB-UHFFFAOYSA-N 2 0 116.208 0.463 50 0 in-vitro ACAARP C[C@@H]1CCCC[C@@]1([NH3+])C[NH3+] 35676974 351451746 /nfs/dbraw/zinc/45/17/46/351451746.db2.gz CFCWMFSNNMJUNE-HTQZYQBOSA-N 2 0 142.246 0.853 50 0 in-vitro ACAARP C[C@@H]1CCCC[C@]1([NH3+])C[NH3+] 35676972 351451777 /nfs/dbraw/zinc/45/17/77/351451777.db2.gz CFCWMFSNNMJUNE-SFYZADRCSA-N 2 0 142.246 0.853 50 0 in-vitro ACAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH3+] 36907425 351459947 /nfs/dbraw/zinc/45/99/47/351459947.db2.gz QDZDLPPKTNOOAE-BWZBUEFSSA-N 2 0 142.246 0.674 50 0 in-vitro ACAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH3+] 36907423 351460275 /nfs/dbraw/zinc/46/02/75/351460275.db2.gz QDZDLPPKTNOOAE-PRJMDXOYSA-N 2 0 142.246 0.674 50 0 in-vitro ACAARP CC(C)(O)C[NH+]1CCC([NH3+])CC1 37692139 351471332 /nfs/dbraw/zinc/47/13/32/351471332.db2.gz PVBZUWVICAEPDH-UHFFFAOYSA-N 2 0 172.272 0.180 50 0 in-vitro ACAARP C[C@@H]1CCC[N@@H+]1CCC[NH3+] 37910067 351475819 /nfs/dbraw/zinc/47/58/19/351475819.db2.gz IIHQYQVGFVPFFI-MRVPVSSYSA-N 2 0 142.246 0.820 50 0 ACAARP CC(C)C[NH2+]C1CC[NH2+]CC1 38040473 351477926 /nfs/dbraw/zinc/47/79/26/351477926.db2.gz QHZTXGGXZNGQPC-UHFFFAOYSA-N 2 0 156.273 0.984 50 0 ACAARP C[C@@H]([C@@H]1CC[NH2+]C1)[NH+](C)C 38759480 351483215 /nfs/dbraw/zinc/48/32/15/351483215.db2.gz NNGZGGWCIUUAEX-JGVFFNPUSA-N 2 0 142.246 0.546 50 0 ACAARP C[C@@]([NH3+])(C[NH2+]C1CC1)C1CC1 40408445 351506743 /nfs/dbraw/zinc/50/67/43/351506743.db2.gz HKUUDIPOJVUKCV-SECBINFHSA-N 2 0 154.257 0.866 50 0 in-vitro ACAARP OCC1([NH2+]CC2CC2)CC[NH2+]CC1 40695560 351508767 /nfs/dbraw/zinc/50/87/67/351508767.db2.gz REPJGLRFXJMGPR-UHFFFAOYSA-N 2 0 184.283 0.101 50 0 ACAARP CC(C)C[NH2+]C1(CO)CC[NH2+]CC1 40695546 351509266 /nfs/dbraw/zinc/50/92/66/351509266.db2.gz ADUPOUHCZZKKOH-UHFFFAOYSA-N 2 0 186.299 0.347 50 0 ACAARP O[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 42783249 351524817 /nfs/dbraw/zinc/52/48/17/351524817.db2.gz IKABXZXCBOWJQX-UWVGGRQHSA-N 2 0 184.283 0.053 50 0 in-vitro ACAARP O[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 42783262 351524952 /nfs/dbraw/zinc/52/49/52/351524952.db2.gz WXVDBFXDHSABOA-JTQLQIEISA-N 2 0 184.283 0.053 50 0 ACAARP OC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 42783420 351525063 /nfs/dbraw/zinc/52/50/63/351525063.db2.gz KQXILJZGIDNVGJ-VIFPVBQESA-N 2 0 184.283 0.053 50 0 ACAARP O[C@H]1CC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 42783330 351525115 /nfs/dbraw/zinc/52/51/15/351525115.db2.gz GLDOVZMBTYZZBC-MNOVXSKESA-N 2 0 198.310 0.585 50 0 ACAARP OC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 42783256 351525171 /nfs/dbraw/zinc/52/51/71/351525171.db2.gz BSDXKFYLUOHPTC-SNVBAGLBSA-N 2 0 198.310 0.443 50 0 ACAARP O[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 42783347 351525288 /nfs/dbraw/zinc/52/52/88/351525288.db2.gz ITCKZTXYVNOKOQ-MNOVXSKESA-N 2 0 198.310 0.443 50 0 in-vitro ACAARP O[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 42783329 351525357 /nfs/dbraw/zinc/52/53/57/351525357.db2.gz GLDOVZMBTYZZBC-QWRGUYRKSA-N 2 0 198.310 0.585 50 0 ACAARP O[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 42783250 351525399 /nfs/dbraw/zinc/52/53/99/351525399.db2.gz IKABXZXCBOWJQX-ZJUUUORDSA-N 2 0 184.283 0.053 50 0 in-vitro ACAARP O[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 42783348 351525413 /nfs/dbraw/zinc/52/54/13/351525413.db2.gz ITCKZTXYVNOKOQ-QWRGUYRKSA-N 2 0 198.310 0.443 50 0 in-vitro ACAARP O[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 42783263 351525421 /nfs/dbraw/zinc/52/54/21/351525421.db2.gz WXVDBFXDHSABOA-SNVBAGLBSA-N 2 0 184.283 0.053 50 0 ACAARP OC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 42783255 351525485 /nfs/dbraw/zinc/52/54/85/351525485.db2.gz BSDXKFYLUOHPTC-JTQLQIEISA-N 2 0 198.310 0.443 50 0 ACAARP OC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 42783419 351525586 /nfs/dbraw/zinc/52/55/86/351525586.db2.gz KQXILJZGIDNVGJ-SECBINFHSA-N 2 0 184.283 0.053 50 0 ACAARP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C 49694172 351548622 /nfs/dbraw/zinc/54/86/22/351548622.db2.gz BVVHNDKLDKPYCI-RQJHMYQMSA-N 2 0 128.219 0.428 50 0 in-vitro ACAARP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C 49694170 351548649 /nfs/dbraw/zinc/54/86/49/351548649.db2.gz BVVHNDKLDKPYCI-RNFRBKRXSA-N 2 0 128.219 0.428 50 0 in-vitro ACAARP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH3+] 49693993 351548680 /nfs/dbraw/zinc/54/86/80/351548680.db2.gz YPBOFUPYTPWEQK-VWYCJHECSA-N 2 0 198.310 0.835 50 0 in-vitro ACAARP C[C@H]1C[NH2+]CC[N@@H+](C2CC2)C1 49661513 351548690 /nfs/dbraw/zinc/54/86/90/351548690.db2.gz KAIJRBAQNQXBMU-QMMMGPOBSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP C[C@@H]1C[NH2+]CC[N@@H+](C2CC2)C1 49661511 351548749 /nfs/dbraw/zinc/54/87/49/351548749.db2.gz KAIJRBAQNQXBMU-MRVPVSSYSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP C[C@@H]1C[NH2+]CC[N@H+](C)C1 49660797 351548758 /nfs/dbraw/zinc/54/87/58/351548758.db2.gz SFCRWIPFNLBDHS-SSDOTTSWSA-N 2 0 128.219 0.158 50 0 ACAARP C[C@H]1C[NH2+]CC[N@H+](C)C1 49660799 351548836 /nfs/dbraw/zinc/54/88/36/351548836.db2.gz SFCRWIPFNLBDHS-ZETCQYMHSA-N 2 0 128.219 0.158 50 0 ACAARP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C 49694173 351548920 /nfs/dbraw/zinc/54/89/20/351548920.db2.gz BVVHNDKLDKPYCI-BQBZGAKWSA-N 2 0 128.219 0.428 50 0 in-vitro ACAARP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C 49694171 351548959 /nfs/dbraw/zinc/54/89/59/351548959.db2.gz BVVHNDKLDKPYCI-NKWVEPMBSA-N 2 0 128.219 0.428 50 0 in-vitro ACAARP CC(C)(O)C[N@@H+]1CC[C@@H](C[NH3+])C1 50249310 351553203 /nfs/dbraw/zinc/55/32/03/351553203.db2.gz XTVJEOGYMNLFJB-QMMMGPOBSA-N 2 0 172.272 0.038 50 0 in-vitro ACAARP CC(C)(O)C[N@@H+]1CC[C@H](C[NH3+])C1 50249308 351553258 /nfs/dbraw/zinc/55/32/58/351553258.db2.gz XTVJEOGYMNLFJB-MRVPVSSYSA-N 2 0 172.272 0.038 50 0 in-vitro ACAARP CCO[C@@H](C[NH3+])CC[NH+](C)C 62740749 351589723 /nfs/dbraw/zinc/58/97/23/351589723.db2.gz UDYGMTDODPECSM-MRVPVSSYSA-N 2 0 160.261 0.302 50 0 in-vitro ACAARP CCO[C@H](C[NH3+])CC[NH+](C)C 62740748 351589815 /nfs/dbraw/zinc/58/98/15/351589815.db2.gz UDYGMTDODPECSM-QMMMGPOBSA-N 2 0 160.261 0.302 50 0 in-vitro ACAARP C[C@@H]1C[C@@H](N2CC[NH2+]CC2)CC[N@@H+]1C 73655595 351621207 /nfs/dbraw/zinc/62/12/07/351621207.db2.gz GLOYJXHVEIKBSG-MNOVXSKESA-N 2 0 197.326 0.374 50 0 ACAARP C[C@@H]1C[C@H](N2CC[NH2+]CC2)CC[N@@H+]1C 73655587 351621370 /nfs/dbraw/zinc/62/13/70/351621370.db2.gz GLOYJXHVEIKBSG-GHMZBOCLSA-N 2 0 197.326 0.374 50 0 ACAARP CC(C)([NH3+])CC[NH3+] 78724515 351628295 /nfs/dbraw/zinc/62/82/95/351628295.db2.gz WSDOLNVCEVYCJQ-UHFFFAOYSA-N 2 0 102.181 0.073 50 0 in-vitro ACAARP CC[C@@H]([NH3+])CN(C)CCC[NH+](C)C 82541072 351639506 /nfs/dbraw/zinc/63/95/06/351639506.db2.gz NVJOAINDJBJIKW-SNVBAGLBSA-N 2 0 187.331 0.607 50 0 ACAARP C[C@@H]1[C@H](C[NH3+])CC[N@@H+]1C 82836387 351642505 /nfs/dbraw/zinc/64/25/05/351642505.db2.gz YVDIJLQWKDKXEJ-RQJHMYQMSA-N 2 0 128.219 0.285 50 0 ACAARP C[C@@H]1[C@@H](C[NH3+])CC[N@@H+]1C 82836391 351642621 /nfs/dbraw/zinc/64/26/21/351642621.db2.gz YVDIJLQWKDKXEJ-RNFRBKRXSA-N 2 0 128.219 0.285 50 0 ACAARP CC(C)([NH3+])[C@@H]1CC[NH2+]C1 85399048 351654029 /nfs/dbraw/zinc/65/40/29/351654029.db2.gz NPHAGMZXMINCCX-ZCFIWIBFSA-N 2 0 128.219 0.333 50 0 ACAARP OC[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 86431723 351654657 /nfs/dbraw/zinc/65/46/57/351654657.db2.gz NMJCDPULKPGXIV-SNVBAGLBSA-N 2 0 184.283 0.195 50 0 ACAARP O[C@H]1CCCN([C@@H]2CCC[NH2+]C2)C1 86410443 351654847 /nfs/dbraw/zinc/65/48/47/351654847.db2.gz VLHVFQLTMXOXJI-ZJUUUORDSA-N 2 0 184.283 0.195 50 0 ACAARP OC[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 86431725 351654875 /nfs/dbraw/zinc/65/48/75/351654875.db2.gz NMJCDPULKPGXIV-JTQLQIEISA-N 2 0 184.283 0.195 50 0 ACAARP C[N@@H+]1CCCC[C@@H](C[NH3+])C1 98193435 351685040 /nfs/dbraw/zinc/68/50/40/351685040.db2.gz QQVUZSSMFQVXJA-QMMMGPOBSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP C[N@@H+]1CCCC[C@H](C[NH3+])C1 98193434 351685299 /nfs/dbraw/zinc/68/52/99/351685299.db2.gz QQVUZSSMFQVXJA-MRVPVSSYSA-N 2 0 142.246 0.677 50 0 in-vitro ACAARP C[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 100013524 351686786 /nfs/dbraw/zinc/68/67/86/351686786.db2.gz HJGMRAKQWLKWMH-RNLVFQAGSA-N 2 0 140.230 0.570 50 0 in-vitro ACAARP C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 100056732 351688550 /nfs/dbraw/zinc/68/85/50/351688550.db2.gz BKVNPJOJIGXEPB-SFYZADRCSA-N 2 0 140.230 0.158 50 0 ACAARP O[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 100464920 351697149 /nfs/dbraw/zinc/69/71/49/351697149.db2.gz GLDOVZMBTYZZBC-WDEREUQCSA-N 2 0 198.310 0.585 50 0 ACAARP O[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 100464930 351697251 /nfs/dbraw/zinc/69/72/51/351697251.db2.gz ITCKZTXYVNOKOQ-WDEREUQCSA-N 2 0 198.310 0.443 50 0 in-vitro ACAARP O[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 100464897 351697266 /nfs/dbraw/zinc/69/72/66/351697266.db2.gz IKABXZXCBOWJQX-NXEZZACHSA-N 2 0 184.283 0.053 50 0 in-vitro ACAARP C[C@@H]1C[N@H+](C)CC[C@H]1[NH3+] 101270612 351704925 /nfs/dbraw/zinc/70/49/25/351704925.db2.gz WLFDKDVGHUCVFY-RNFRBKRXSA-N 2 0 128.219 0.285 50 0 in-vitro ACAARP [NH3+][C@@H]1CCCCC[NH2+]C1 104641906 351714629 /nfs/dbraw/zinc/71/46/29/351714629.db2.gz ZRHHDWFTDGGETF-SSDOTTSWSA-N 2 0 128.219 0.477 50 0 in-vitro ACAARP [NH3+]CC12CCC[NH+](CCC1)C2 139307318 351743390 /nfs/dbraw/zinc/74/33/90/351743390.db2.gz BQXWENMMRUDOFX-UHFFFAOYSA-N 2 0 154.257 0.821 50 0 ACAARP C[C@@]1(O)CC[N@@H+](C2CC[NH2+]CC2)C1 235451202 351816561 /nfs/dbraw/zinc/81/65/61/351816561.db2.gz JETHHTDPNQBAEA-SNVBAGLBSA-N 2 0 184.283 0.195 50 0 ACAARP O[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 238853097 351825083 /nfs/dbraw/zinc/82/50/83/351825083.db2.gz IKABXZXCBOWJQX-VHSXEESVSA-N 2 0 184.283 0.053 50 0 in-vitro ACAARP C[C@@H]1CN(C2CC2)C[C@H]1[NH3+] 238853599 351825713 /nfs/dbraw/zinc/82/57/13/351825713.db2.gz KJSCOXHVQCIXQY-HTRCEHHLSA-N 2 0 140.230 0.428 50 0 in-vitro ACAARP C[C@@H]1C[N@H+](C)CC[C@H]1N1CC[NH2+]CC1 242728126 351829348 /nfs/dbraw/zinc/82/93/48/351829348.db2.gz YUGJABFUFIIICU-GHMZBOCLSA-N 2 0 197.326 0.232 50 0 ACAARP O[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 247963488 351830465 /nfs/dbraw/zinc/83/04/65/351830465.db2.gz GLDOVZMBTYZZBC-GHMZBOCLSA-N 2 0 198.310 0.585 50 0 ACAARP O[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 251093714 351833824 /nfs/dbraw/zinc/83/38/24/351833824.db2.gz ITCKZTXYVNOKOQ-GHMZBOCLSA-N 2 0 198.310 0.443 50 0 in-vitro ACAARP COCC[NH2+][C@H]1CC[C@H]([NH3+])CC1 616582663 352931808 /nfs/dbraw/zinc/93/18/08/352931808.db2.gz VQJUFYBSQGAOAX-KYZUINATSA-N 2 0 172.272 0.492 50 0 ACAARP C[NH+](C)CCCN1CCC[NH2+]C1 19324254 371625144 /nfs/dbraw/zinc/62/51/44/371625144.db2.gz CWJPMGXDTZDMJF-UHFFFAOYSA-N 2 0 171.288 0.191 50 0 ACAARP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2C[C@H]2C)C1 216465659 371710331 /nfs/dbraw/zinc/71/03/31/371710331.db2.gz PCVJSECWGNSVQE-BBBLOLIVSA-N 2 0 168.284 0.936 50 0 in-vitro ACAARP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2C[C@H]2C)C1 216465748 371710361 /nfs/dbraw/zinc/71/03/61/371710361.db2.gz PCVJSECWGNSVQE-OPRDCNLKSA-N 2 0 168.284 0.936 50 0 in-vitro ACAARP C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 238855930 371731501 /nfs/dbraw/zinc/73/15/01/371731501.db2.gz UFTKWLHJIFCQPP-JGVFFNPUSA-N 2 0 140.230 0.300 50 0 in-vitro ACAARP C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 238855931 371731717 /nfs/dbraw/zinc/73/17/17/371731717.db2.gz UFTKWLHJIFCQPP-YUMQZZPRSA-N 2 0 140.230 0.300 50 0 in-vitro ACAARP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](O)C1 238481377 375428535 /nfs/dbraw/zinc/42/85/35/375428535.db2.gz DTOPDICROYGMMP-OPRDCNLKSA-N 2 0 184.283 0.051 50 0 ACAARP CC[N@H+](CCN1CC[NH2+]CC1)C1CC1 37482561 409331613 /nfs/dbraw/zinc/33/16/13/409331613.db2.gz PWMWGYQOYSODBC-UHFFFAOYSA-N 2 0 197.326 0.376 50 0 ACAARP [NH3+][C@@]12CC[C@@H](C[NH2+]C1)C2 96299046 573602506 /nfs/dbraw/zinc/60/25/06/573602506.db2.gz SVVHTGGTQMORHI-RNFRBKRXSA-N 2 0 126.203 0.087 50 0 ACAARP CC[NH+](CC)C[C@@H]1CC[NH2+]C1 20440449 520727913 /nfs/dbraw/zinc/72/79/13/520727913.db2.gz HOIFYAYAOLSLBR-SECBINFHSA-N 2 0 156.273 0.938 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 81947135 523838080 /nfs/dbraw/zinc/83/80/80/523838080.db2.gz XYAVBNPTWXQIAA-VIFPVBQESA-N 2 0 154.257 0.692 50 0 in-vitro ACAARP C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 81947131 523859837 /nfs/dbraw/zinc/85/98/37/523859837.db2.gz XYAVBNPTWXQIAA-SECBINFHSA-N 2 0 154.257 0.692 50 0 in-vitro ACAARP CN(CC[NH+](C)C)C1CC[NH+](C)CC1 19637362 630021878 /nfs/dbraw/zinc/02/18/78/630021878.db2.gz WDDDKFTVWAACJB-UHFFFAOYSA-N 2 0 199.342 0.574 50 0 ACAARP C[N@@H+]1CC[C@@](O)([C@H]([NH3+])C2CCC2)C1 958528793 630063208 /nfs/dbraw/zinc/06/32/08/630063208.db2.gz VJDDISPOJNVRRR-ZJUUUORDSA-N 2 0 184.283 0.180 50 0 ACAARP CCC[C@@H]([NH3+])[C@]1(O)CC[N@H+](C)C1 958528677 630063514 /nfs/dbraw/zinc/06/35/14/630063514.db2.gz SBZFDUYVZPSYGI-BDAKNGLRSA-N 2 0 172.272 0.180 50 0 ACAARP CC(C)C[C@H]([NH3+])[C@@]1(O)CC[N@H+](C)C1 958528787 630063623 /nfs/dbraw/zinc/06/36/23/630063623.db2.gz VIFWKEGYFITDPM-VHSXEESVSA-N 2 0 186.299 0.426 50 0 ACAARP CC(C)(C)[C@H]([NH3+])C1(O)CC[NH2+]CC1 958528763 630063636 /nfs/dbraw/zinc/06/36/36/630063636.db2.gz UJHSHVFOFZPPMY-QMMMGPOBSA-N 2 0 186.299 0.474 50 0 ACAARP C[N@@H+]1CC[C@](O)([C@H]([NH3+])C2CCC2)C1 958528790 630063818 /nfs/dbraw/zinc/06/38/18/630063818.db2.gz VJDDISPOJNVRRR-NXEZZACHSA-N 2 0 184.283 0.180 50 0 ACAARP CCC[C@H]([NH3+])[C@@]1(O)CC[N@H+](C)C1 958528679 630063871 /nfs/dbraw/zinc/06/38/71/630063871.db2.gz SBZFDUYVZPSYGI-DTWKUNHWSA-N 2 0 172.272 0.180 50 0 ACAARP CCC[C@H]([NH3+])[C@]1(O)CC[N@H+](C)C1 958528690 630064070 /nfs/dbraw/zinc/06/40/70/630064070.db2.gz SBZFDUYVZPSYGI-IUCAKERBSA-N 2 0 172.272 0.180 50 0 ACAARP CC(C)(C)[C@@H]([NH3+])C1(O)CC[NH2+]CC1 958528762 630064275 /nfs/dbraw/zinc/06/42/75/630064275.db2.gz UJHSHVFOFZPPMY-MRVPVSSYSA-N 2 0 186.299 0.474 50 0 ACAARP CC(C)C[C@H]([NH3+])[C@]1(O)CC[N@H+](C)C1 958528786 630064317 /nfs/dbraw/zinc/06/43/17/630064317.db2.gz VIFWKEGYFITDPM-UWVGGRQHSA-N 2 0 186.299 0.426 50 0 ACAARP C[N@@H+]1CC[C@](O)([C@@H]([NH3+])C2CCC2)C1 958528792 630064479 /nfs/dbraw/zinc/06/44/79/630064479.db2.gz VJDDISPOJNVRRR-VHSXEESVSA-N 2 0 184.283 0.180 50 0 ACAARP CC(C)C[C@@H]([NH3+])[C@@]1(O)CC[N@H+](C)C1 958528785 630064769 /nfs/dbraw/zinc/06/47/69/630064769.db2.gz VIFWKEGYFITDPM-NXEZZACHSA-N 2 0 186.299 0.426 50 0 ACAARP CCC[C@@H]([NH3+])[C@@]1(O)CC[N@H+](C)C1 958528691 630064976 /nfs/dbraw/zinc/06/49/76/630064976.db2.gz SBZFDUYVZPSYGI-RKDXNWHRSA-N 2 0 172.272 0.180 50 0 ACAARP C[N@@H+]1CC[C@@](O)([C@@H]([NH3+])C2CCC2)C1 958528791 630065108 /nfs/dbraw/zinc/06/51/08/630065108.db2.gz VJDDISPOJNVRRR-UWVGGRQHSA-N 2 0 184.283 0.180 50 0 ACAARP CC(C)C[C@@H]([NH3+])[C@]1(O)CC[N@H+](C)C1 958528788 630065225 /nfs/dbraw/zinc/06/52/25/630065225.db2.gz VIFWKEGYFITDPM-ZJUUUORDSA-N 2 0 186.299 0.426 50 0 ACAARP C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 238328341 523972990 /nfs/dbraw/zinc/97/29/90/523972990.db2.gz BMRRCEKQTKZDPU-IUCAKERBSA-N 2 0 154.257 0.690 50 0 in-vitro ACAARP [NH3+][C@@H](C1CCCC1)C1(O)CC[NH2+]CC1 958527534 631162375 /nfs/dbraw/zinc/16/23/75/631162375.db2.gz BZQVTNLJWWGYBG-JTQLQIEISA-N 2 0 198.310 0.618 50 0 ACAARP CC(C)C[C@H]([NH3+])C1(O)CC[NH2+]CC1 958527533 631162577 /nfs/dbraw/zinc/16/25/77/631162577.db2.gz BVIUDSDRXUEPAN-VIFPVBQESA-N 2 0 186.299 0.474 50 0 ACAARP CC(C)C[C@@H]([NH3+])C1(O)CC[NH2+]CC1 958527532 631162763 /nfs/dbraw/zinc/16/27/63/631162763.db2.gz BVIUDSDRXUEPAN-SECBINFHSA-N 2 0 186.299 0.474 50 0 ACAARP [NH3+][C@H](C1CCCC1)C1(O)CC[NH2+]CC1 958527535 631162854 /nfs/dbraw/zinc/16/28/54/631162854.db2.gz BZQVTNLJWWGYBG-SNVBAGLBSA-N 2 0 198.310 0.618 50 0 ACAARP CC(C)[C@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 958527690 631163254 /nfs/dbraw/zinc/16/32/54/631163254.db2.gz DVAFHZULHWVJSX-JDUUOCRZSA-N 2 0 198.310 0.615 50 0 ACAARP CC[C@@H]([NH3+])[C@@]1(O)CCC[N@H+](C)CC1 958527962 631163288 /nfs/dbraw/zinc/16/32/88/631163288.db2.gz JVCATNHWTZNECK-NXEZZACHSA-N 2 0 186.299 0.571 50 0 ACAARP [NH3+][C@H](C1CC1)C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 958528280 631163314 /nfs/dbraw/zinc/16/33/14/631163314.db2.gz PQRLPLMHYVJEET-GZBOUJLJSA-N 2 0 196.294 0.369 50 0 ACAARP CCC[C@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 958527487 631163325 /nfs/dbraw/zinc/16/33/25/631163325.db2.gz AHXHVQZEYPUJKZ-JDUUOCRZSA-N 2 0 198.310 0.759 50 0 ACAARP CC[C@@H]([NH3+])[C@]1(O)CCC[N@H+](C)CC1 958527965 631163454 /nfs/dbraw/zinc/16/34/54/631163454.db2.gz JVCATNHWTZNECK-ZJUUUORDSA-N 2 0 186.299 0.571 50 0 ACAARP [NH3+][C@H](C1CCCCCC1)C1(O)CNC1 958527493 631163481 /nfs/dbraw/zinc/16/34/81/631163481.db2.gz ALIWNPAAYXXXDP-SNVBAGLBSA-N 2 0 198.310 0.618 50 0 ACAARP C[N@@H+]1CC[C@](O)([C@H]([NH3+])C(C)(C)C)C1 958528508 631163545 /nfs/dbraw/zinc/16/35/45/631163545.db2.gz PGWQSZJURPMCDQ-PSASIEDQSA-N 2 0 186.299 0.426 50 0 ACAARP [NH3+][C@H](C1CCCCC1)C1(O)CNC1 958527484 631163572 /nfs/dbraw/zinc/16/35/72/631163572.db2.gz AHHXMOVYUBEWJF-SECBINFHSA-N 2 0 184.283 0.228 50 0 ACAARP C[N@@H+]1CC[C@@](O)([C@@H]([NH3+])C(C)(C)C)C1 958528511 631163587 /nfs/dbraw/zinc/16/35/87/631163587.db2.gz PGWQSZJURPMCDQ-WPRPVWTQSA-N 2 0 186.299 0.426 50 0 ACAARP CCC[C@@H]([NH3+])C1(O)CC[NH2+]CC1 958527982 631163676 /nfs/dbraw/zinc/16/36/76/631163676.db2.gz KEDDGDITEDOHPF-MRVPVSSYSA-N 2 0 172.272 0.228 50 0 ACAARP CC[C@H]([NH3+])C1(O)CC[NH+](CC)CC1 958528187 631163662 /nfs/dbraw/zinc/16/36/62/631163662.db2.gz LAHPETCGRNUBFP-VIFPVBQESA-N 2 0 186.299 0.571 50 0 ACAARP CC[C@@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[N@@H+]2C 958527670 631163691 /nfs/dbraw/zinc/16/36/91/631163691.db2.gz DAORKOIGPRMBBQ-GZBOUJLJSA-N 2 0 198.310 0.711 50 0 ACAARP CC[C@H]([NH3+])[C@@]1(O)CCC[N@H+](C)CC1 958527964 631163711 /nfs/dbraw/zinc/16/37/11/631163711.db2.gz JVCATNHWTZNECK-VHSXEESVSA-N 2 0 186.299 0.571 50 0 ACAARP [NH3+][C@@H](C1CCCCCC1)C1(O)CNC1 958527492 631163745 /nfs/dbraw/zinc/16/37/45/631163745.db2.gz ALIWNPAAYXXXDP-JTQLQIEISA-N 2 0 198.310 0.618 50 0 ACAARP CC(C)[C@@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 958527688 631163833 /nfs/dbraw/zinc/16/38/33/631163833.db2.gz DVAFHZULHWVJSX-GZBOUJLJSA-N 2 0 198.310 0.615 50 0 ACAARP [NH3+][C@@H](C1CC1)C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 958528281 631163816 /nfs/dbraw/zinc/16/38/16/631163816.db2.gz PQRLPLMHYVJEET-JDUUOCRZSA-N 2 0 196.294 0.369 50 0 ACAARP CCC[C@@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 958527486 631163819 /nfs/dbraw/zinc/16/38/19/631163819.db2.gz AHXHVQZEYPUJKZ-GZBOUJLJSA-N 2 0 198.310 0.759 50 0 ACAARP CC[C@H]([NH3+])[C@]1(O)CCC[N@H+](C)CC1 958527963 631163952 /nfs/dbraw/zinc/16/39/52/631163952.db2.gz JVCATNHWTZNECK-UWVGGRQHSA-N 2 0 186.299 0.571 50 0 ACAARP CC[C@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[N@@H+]2C 958527671 631164037 /nfs/dbraw/zinc/16/40/37/631164037.db2.gz DAORKOIGPRMBBQ-JDUUOCRZSA-N 2 0 198.310 0.711 50 0 ACAARP CC[C@@H]([NH3+])C1(O)CC[NH+](CC)CC1 958528186 631164071 /nfs/dbraw/zinc/16/40/71/631164071.db2.gz LAHPETCGRNUBFP-SECBINFHSA-N 2 0 186.299 0.571 50 0 ACAARP [NH3+][C@@H](C1CCCCC1)C1(O)CNC1 958527485 631164086 /nfs/dbraw/zinc/16/40/86/631164086.db2.gz AHHXMOVYUBEWJF-VIFPVBQESA-N 2 0 184.283 0.228 50 0 ACAARP C[N@@H+]1CC[C@](O)([C@@H]([NH3+])C(C)(C)C)C1 958528510 631164098 /nfs/dbraw/zinc/16/40/98/631164098.db2.gz PGWQSZJURPMCDQ-WCBMZHEXSA-N 2 0 186.299 0.426 50 0 ACAARP C[N@@H+]1CC[C@@](O)([C@H]([NH3+])C(C)(C)C)C1 958528509 631164156 /nfs/dbraw/zinc/16/41/56/631164156.db2.gz PGWQSZJURPMCDQ-SCZZXKLOSA-N 2 0 186.299 0.426 50 0 ACAARP CCC[C@H]([NH3+])C1(O)CC[NH2+]CC1 958527984 631164166 /nfs/dbraw/zinc/16/41/66/631164166.db2.gz KEDDGDITEDOHPF-QMMMGPOBSA-N 2 0 172.272 0.228 50 0 ACAARP C[NH+]1CCC(O)([C@@H]([NH3+])C2CC2)CC1 958528461 631164455 /nfs/dbraw/zinc/16/44/55/631164455.db2.gz SWUPEWCDUOJLOH-VIFPVBQESA-N 2 0 184.283 0.180 50 0 ACAARP CC[C@H]([NH3+])C1(O)CC[NH+](C)CC1 958528457 631164492 /nfs/dbraw/zinc/16/44/92/631164492.db2.gz SSKVUYDZHUSOPX-QMMMGPOBSA-N 2 0 172.272 0.180 50 0 ACAARP [NH3+][C@@H](C1CCC1)C1(O)CC[NH2+]CC1 958528893 631164649 /nfs/dbraw/zinc/16/46/49/631164649.db2.gz XWNVKSLBXAEJSZ-VIFPVBQESA-N 2 0 184.283 0.228 50 0 ACAARP C[NH+]1CCC(O)([C@H]([NH3+])C2CC2)CC1 958528460 631164653 /nfs/dbraw/zinc/16/46/53/631164653.db2.gz SWUPEWCDUOJLOH-SECBINFHSA-N 2 0 184.283 0.180 50 0 ACAARP [NH3+][C@H](C1CCC1)C1(O)CC[NH2+]CC1 958528892 631164814 /nfs/dbraw/zinc/16/48/14/631164814.db2.gz XWNVKSLBXAEJSZ-SECBINFHSA-N 2 0 184.283 0.228 50 0 ACAARP CC[C@@H]([NH3+])C1(O)CC[NH+](C)CC1 958528456 631164955 /nfs/dbraw/zinc/16/49/55/631164955.db2.gz SSKVUYDZHUSOPX-MRVPVSSYSA-N 2 0 172.272 0.180 50 0 ACAARP C[C@H]([NH3+])CN(C)CCC[NH+](C)C 82541267 524834297 /nfs/dbraw/zinc/83/42/97/524834297.db2.gz NJSXCYXLIKUBNX-VIFPVBQESA-N 2 0 173.304 0.217 50 0 ACAARP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH3+] 238857284 524969435 /nfs/dbraw/zinc/96/94/35/524969435.db2.gz YPBOFUPYTPWEQK-OUAUKWLOSA-N 2 0 198.310 0.835 50 0 in-vitro ACAARP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH3+] 238857283 524977349 /nfs/dbraw/zinc/97/73/49/524977349.db2.gz YPBOFUPYTPWEQK-MXWKQRLJSA-N 2 0 198.310 0.835 50 0 in-vitro ACAARP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH3+] 238857282 524978248 /nfs/dbraw/zinc/97/82/48/524978248.db2.gz YPBOFUPYTPWEQK-GMTAPVOTSA-N 2 0 198.310 0.835 50 0 in-vitro ACAARP [NH3+][C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1 238853550 527372409 /nfs/dbraw/zinc/37/24/09/527372409.db2.gz JZFOPNSQKQOMJZ-DJLDLDEBSA-N 2 0 154.257 0.866 50 0 ACAARP