smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCC1([NH3+])CCN(C(C)C)CC1 675074533 537790796 /nfs/dbraw/zinc/79/07/96/537790796.db2.gz YRHWUISYISHQKA-UHFFFAOYSA-N 1 3 180.295 1.211 10 30 ADEEHO C=C(C)CCC1=C[C@@H]([NH3+])CNC1 675076910 537792425 /nfs/dbraw/zinc/79/24/25/537792425.db2.gz GZPATQQJPDRZPH-SNVBAGLBSA-N 1 3 166.268 1.200 10 30 ADEEHO C=C(C)CCC1=C[C@H]([NH3+])CNC1 675076906 537793205 /nfs/dbraw/zinc/79/32/05/537793205.db2.gz GZPATQQJPDRZPH-JTQLQIEISA-N 1 3 166.268 1.200 10 30 ADEEHO C=C(CC)CC1=C[C@@H]([NH3+])CNC1 675078172 537801508 /nfs/dbraw/zinc/80/15/08/537801508.db2.gz WOLODSVMCNYQCR-SNVBAGLBSA-N 1 3 166.268 1.200 10 30 ADEEHO C=CC[C@@H](C)C1=C[C@@H]([NH3+])CNC1 675078240 537801685 /nfs/dbraw/zinc/80/16/85/537801685.db2.gz ODRWPHHEWYSFCU-PSASIEDQSA-N 1 3 166.268 1.056 10 30 ADEEHO C=CC[C@H](C)C1=C[C@H]([NH3+])CNC1 675078245 537801808 /nfs/dbraw/zinc/80/18/08/537801808.db2.gz ODRWPHHEWYSFCU-WPRPVWTQSA-N 1 3 166.268 1.056 10 30 ADEEHO C=CC[C@H](C)C1=C[C@@H]([NH3+])CNC1 675078244 537802072 /nfs/dbraw/zinc/80/20/72/537802072.db2.gz ODRWPHHEWYSFCU-WCBMZHEXSA-N 1 3 166.268 1.056 10 30 ADEEHO C=C(CC)CC1=C[C@H]([NH3+])CNC1 675078170 537802292 /nfs/dbraw/zinc/80/22/92/537802292.db2.gz WOLODSVMCNYQCR-JTQLQIEISA-N 1 3 166.268 1.200 10 30 ADEEHO C=CC[C@@H](C)C1=C[C@H]([NH3+])CNC1 675078241 537802424 /nfs/dbraw/zinc/80/24/24/537802424.db2.gz ODRWPHHEWYSFCU-SCZZXKLOSA-N 1 3 166.268 1.056 10 30 ADEEHO C[NH2+]CC(C)C#CC(=O)OC(C)(C)C 685952635 537834320 /nfs/dbraw/zinc/83/43/20/537834320.db2.gz BOKMERMOJWRBIQ-SECBINFHSA-N 1 3 197.278 1.187 10 30 ADEEHO C[NH2+]CC(C)C#CC(=O)OC(C)(C)C 685952638 537836689 /nfs/dbraw/zinc/83/66/89/537836689.db2.gz BOKMERMOJWRBIQ-VIFPVBQESA-N 1 3 197.278 1.187 10 30 ADEEHO C=CC[C@H](C)NC[C@@H]1CCCC[NH2+]1 235069519 572050034 /nfs/dbraw/zinc/05/00/34/572050034.db2.gz KPUMHWNGEROIJA-QWRGUYRKSA-N 1 3 182.311 1.683 10 30 ADEEHO C=C(C)CCNC1(C[NH3+])CC(OC)C1 687818011 571986546 /nfs/dbraw/zinc/98/65/46/571986546.db2.gz ULHHBYCRPAQKMQ-UHFFFAOYSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(CC)CN[C@H]1C[C@H]([NH3+])C12CCC2 405449052 757200571 /nfs/dbraw/zinc/20/05/71/757200571.db2.gz GDCFYQMTWASIRL-QWRGUYRKSA-N 1 3 194.322 1.812 10 30 ADEEHO C=C(CC)C[NH2+][C@H]1C[C@H](N)C12CCC2 405449052 757200593 /nfs/dbraw/zinc/20/05/93/757200593.db2.gz GDCFYQMTWASIRL-QWRGUYRKSA-N 1 3 194.322 1.812 10 30 ADEEHO C=C(CC)CN[C@H]1C[C@@H]([NH3+])C12CCC2 405449051 757205257 /nfs/dbraw/zinc/20/52/57/757205257.db2.gz GDCFYQMTWASIRL-MNOVXSKESA-N 1 3 194.322 1.812 10 30 ADEEHO C=C(CC)C[NH2+][C@H]1C[C@@H](N)C12CCC2 405449051 757205282 /nfs/dbraw/zinc/20/52/82/757205282.db2.gz GDCFYQMTWASIRL-MNOVXSKESA-N 1 3 194.322 1.812 10 30 ADEEHO C=C(CC)CN[C@@H]1C[C@H]([NH3+])C12CCC2 405449054 757209609 /nfs/dbraw/zinc/20/96/09/757209609.db2.gz GDCFYQMTWASIRL-WDEREUQCSA-N 1 3 194.322 1.812 10 30 ADEEHO C=C(CC)C[NH2+][C@@H]1C[C@H](N)C12CCC2 405449054 757209631 /nfs/dbraw/zinc/20/96/31/757209631.db2.gz GDCFYQMTWASIRL-WDEREUQCSA-N 1 3 194.322 1.812 10 30 ADEEHO C=C(CC)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405449049 757210506 /nfs/dbraw/zinc/21/05/06/757210506.db2.gz GDCFYQMTWASIRL-GHMZBOCLSA-N 1 3 194.322 1.812 10 30 ADEEHO C=C(CC)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 405449049 757210538 /nfs/dbraw/zinc/21/05/38/757210538.db2.gz GDCFYQMTWASIRL-GHMZBOCLSA-N 1 3 194.322 1.812 10 30 ADEEHO C#C[C@H](CC)N[C@@H]1CCC[C@H]1C[NH3+] 300397351 572165325 /nfs/dbraw/zinc/16/53/25/572165325.db2.gz AZSFTEABUUKJBC-HBNTYKKESA-N 1 3 180.295 1.115 10 30 ADEEHO C#CC[C@@H](C)[NH2+][C@H]1CCNCC1(C)C 300796352 572224911 /nfs/dbraw/zinc/22/49/11/572224911.db2.gz DTBACCBKCVMSIM-MNOVXSKESA-N 1 3 194.322 1.376 10 30 ADEEHO C#CC[C@@H](C)N[C@H]1CC[NH2+]CC1(C)C 300796352 572224914 /nfs/dbraw/zinc/22/49/14/572224914.db2.gz DTBACCBKCVMSIM-MNOVXSKESA-N 1 3 194.322 1.376 10 30 ADEEHO C=CCC[NH2+]CCCN(CC)CC 70591391 572240817 /nfs/dbraw/zinc/24/08/17/572240817.db2.gz CMKCGDQQIANCBU-UHFFFAOYSA-N 1 3 184.327 1.884 10 30 ADEEHO C=CC[N@@H+](C(C)C)[C@H](C)[C@@H](C)CN 132115977 573216676 /nfs/dbraw/zinc/21/66/76/573216676.db2.gz DOYHNVFROABRCF-WDEREUQCSA-N 1 3 184.327 1.866 10 30 ADEEHO C=CC[N@H+](C(C)C)[C@H](C)[C@@H](C)CN 132115977 573216678 /nfs/dbraw/zinc/21/66/78/573216678.db2.gz DOYHNVFROABRCF-WDEREUQCSA-N 1 3 184.327 1.866 10 30 ADEEHO C=CCN(C(C)C)[C@H](C)[C@@H](C)C[NH3+] 132115977 573216680 /nfs/dbraw/zinc/21/66/80/573216680.db2.gz DOYHNVFROABRCF-WDEREUQCSA-N 1 3 184.327 1.866 10 30 ADEEHO CC#CCCN1CC[C@@](C)(C[NH3+])C1 307605514 572635342 /nfs/dbraw/zinc/63/53/42/572635342.db2.gz YNSNLGGXBKMTND-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO CC#CCC[N@@H+]1CC[C@@](C)(CN)C1 307605514 572635346 /nfs/dbraw/zinc/63/53/46/572635346.db2.gz YNSNLGGXBKMTND-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO CC#CCC[N@H+]1CC[C@@](C)(CN)C1 307605514 572635349 /nfs/dbraw/zinc/63/53/49/572635349.db2.gz YNSNLGGXBKMTND-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C=CCC[N@@H+](C)[C@H](C)CCN 307868821 572679089 /nfs/dbraw/zinc/67/90/89/572679089.db2.gz ICGRCLZHBRNXEI-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=C(C)CN1CC[C@](C)(C[NH3+])C1 307662637 572676490 /nfs/dbraw/zinc/67/64/90/572676490.db2.gz YGSBALBNXFMCSL-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(C)C[N@@H+]1CC[C@](C)(CN)C1 307662637 572676493 /nfs/dbraw/zinc/67/64/93/572676493.db2.gz YGSBALBNXFMCSL-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(C)C[N@H+]1CC[C@](C)(CN)C1 307662637 572676494 /nfs/dbraw/zinc/67/64/94/572676494.db2.gz YGSBALBNXFMCSL-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CC)CNC1CC([NH3+])C1 307739262 572793983 /nfs/dbraw/zinc/79/39/83/572793983.db2.gz KIBNSNUTTPUUEY-UHFFFAOYSA-N 1 3 154.257 1.032 10 30 ADEEHO C=CCCC[NH2+][C@H]1CCNC[C@H]1C 308134688 572814449 /nfs/dbraw/zinc/81/44/49/572814449.db2.gz NCZMUCCKADKDIC-MNOVXSKESA-N 1 3 182.311 1.540 10 30 ADEEHO C=CCN1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 306973894 572820466 /nfs/dbraw/zinc/82/04/66/572820466.db2.gz XRLHSWPPNMACEE-QWRGUYRKSA-N 1 3 180.295 1.056 10 30 ADEEHO C=CCN1C[C@@H]2CC[N@H+](C)C[C@H]2C1 306973894 572820468 /nfs/dbraw/zinc/82/04/68/572820468.db2.gz XRLHSWPPNMACEE-QWRGUYRKSA-N 1 3 180.295 1.056 10 30 ADEEHO C=CCC[N@@H+](C)[C@H]1CC[C@@H]1CN 307928009 572895529 /nfs/dbraw/zinc/89/55/29/572895529.db2.gz ABBVSWFMTBJTKU-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@H+](C)[C@H]1CC[C@@H]1CN 307928009 572895532 /nfs/dbraw/zinc/89/55/32/572895532.db2.gz ABBVSWFMTBJTKU-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCN(C)[C@H]1CC[C@@H]1C[NH3+] 307928009 572895533 /nfs/dbraw/zinc/89/55/33/572895533.db2.gz ABBVSWFMTBJTKU-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCN(C)C[C@@H]1C[NH2+]C[C@H]1C 308204421 572933848 /nfs/dbraw/zinc/93/38/48/572933848.db2.gz XNCLYOBHQBNNSV-MNOVXSKESA-N 1 3 182.311 1.350 10 30 ADEEHO C=CCCN(C)C[C@@H]1C[NH2+]C[C@@H]1C 308204422 572933873 /nfs/dbraw/zinc/93/38/73/572933873.db2.gz XNCLYOBHQBNNSV-QWRGUYRKSA-N 1 3 182.311 1.350 10 30 ADEEHO CC[NH+]1CCC(CC#CCN)CC1 258208044 572996047 /nfs/dbraw/zinc/99/60/47/572996047.db2.gz NVIKGUXIOTUENO-UHFFFAOYSA-N 1 3 180.295 1.071 10 30 ADEEHO CC[N@@H+]1CCCC[C@H]1CC#CCNC 258234155 573093979 /nfs/dbraw/zinc/09/39/79/573093979.db2.gz POGGOWQWVSVKBU-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO CC[N@H+]1CCCC[C@H]1CC#CCNC 258234155 573093985 /nfs/dbraw/zinc/09/39/85/573093985.db2.gz POGGOWQWVSVKBU-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C=CCN(CCC)[C@H]1CC[C@@H]1C[NH2+]C 132073275 573198855 /nfs/dbraw/zinc/19/88/55/573198855.db2.gz QRTHKAUWMSBFOR-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[N@@H+]1CCCCNC(C)(C)C1 259371178 573202815 /nfs/dbraw/zinc/20/28/15/573202815.db2.gz KTOJUZMCKSULAE-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CC[N@H+]1CCCCNC(C)(C)C1 259371178 573202818 /nfs/dbraw/zinc/20/28/18/573202818.db2.gz KTOJUZMCKSULAE-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CC[N@@H+](CCC)[C@H](C)[C@@H](C)CN 132084036 573208061 /nfs/dbraw/zinc/20/80/61/573208061.db2.gz NZXAJHMXFHZMMI-WDEREUQCSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CC[N@H+](CCC)[C@H](C)[C@@H](C)CN 132084036 573208065 /nfs/dbraw/zinc/20/80/65/573208065.db2.gz NZXAJHMXFHZMMI-WDEREUQCSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCN(CCC)[C@H](C)[C@@H](C)C[NH3+] 132084036 573208070 /nfs/dbraw/zinc/20/80/70/573208070.db2.gz NZXAJHMXFHZMMI-WDEREUQCSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(CNCC)C[N@H+](C)C[C@@H]1C[C@H]1C 299966524 573224311 /nfs/dbraw/zinc/22/43/11/573224311.db2.gz SAVIIPFZHKJHPL-NEPJUHHUSA-N 1 3 196.338 1.740 10 30 ADEEHO C=C(CNCC)C[N@@H+](C)C[C@@H]1C[C@H]1C 299966524 573224313 /nfs/dbraw/zinc/22/43/13/573224313.db2.gz SAVIIPFZHKJHPL-NEPJUHHUSA-N 1 3 196.338 1.740 10 30 ADEEHO C=CCN(C1CC1)[C@H]1CC[C@@H]1C[NH3+] 132153466 573234374 /nfs/dbraw/zinc/23/43/74/573234374.db2.gz NHTILKKOSODTLZ-KOLCDFICSA-N 1 3 180.295 1.374 10 30 ADEEHO C=CCN(C1CC1)[C@@H](C)[C@@H](C)C[NH3+] 132152381 573234570 /nfs/dbraw/zinc/23/45/70/573234570.db2.gz OHSSGFDFCOTVQY-UWVGGRQHSA-N 1 3 182.311 1.620 10 30 ADEEHO C[C@H](C[NH2+]CCCCC#N)CN(C)C 308557407 573345003 /nfs/dbraw/zinc/34/50/03/573345003.db2.gz BXPYTIQTERPZDK-LLVKDONJSA-N 1 3 197.326 1.468 10 30 ADEEHO CC(C)[N@@H+]1CCCC[C@H]1C#CCN 258296247 573359183 /nfs/dbraw/zinc/35/91/83/573359183.db2.gz UHCUTQZITWEJIM-NSHDSACASA-N 1 3 180.295 1.211 10 30 ADEEHO CC(C)[N@H+]1CCCC[C@H]1C#CCN 258296247 573359188 /nfs/dbraw/zinc/35/91/88/573359188.db2.gz UHCUTQZITWEJIM-NSHDSACASA-N 1 3 180.295 1.211 10 30 ADEEHO C=C(CNC)[C@H]1CCCC[N@@H+]1C 258015720 573374458 /nfs/dbraw/zinc/37/44/58/573374458.db2.gz BILVAHRCHUUXDI-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(CNC)[C@H]1CCCC[N@H+]1C 258015720 573374463 /nfs/dbraw/zinc/37/44/63/573374463.db2.gz BILVAHRCHUUXDI-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CCC[N@H+]1C[C@H]2CCC[C@]2(CN)C1 308578849 573412131 /nfs/dbraw/zinc/41/21/31/573412131.db2.gz OCBIYTHJBLEUCO-NEPJUHHUSA-N 1 3 194.322 1.623 10 30 ADEEHO C=CCC[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 308578849 573412138 /nfs/dbraw/zinc/41/21/38/573412138.db2.gz OCBIYTHJBLEUCO-NEPJUHHUSA-N 1 3 194.322 1.623 10 30 ADEEHO C=CCN1C[C@@H](C[NH2+]C)CCC1(C)C 259448608 573437038 /nfs/dbraw/zinc/43/70/38/573437038.db2.gz OZPFZSBQEMPVKG-LLVKDONJSA-N 1 3 196.338 1.882 10 30 ADEEHO CCC[N@H+](CC#CCN)CC1CC1 717425928 573440600 /nfs/dbraw/zinc/44/06/00/573440600.db2.gz CTXJHHGDWKXYCM-UHFFFAOYSA-N 1 3 180.295 1.071 10 30 ADEEHO CCC[N@@H+](CC#CCN)CC1CC1 717425928 573440602 /nfs/dbraw/zinc/44/06/02/573440602.db2.gz CTXJHHGDWKXYCM-UHFFFAOYSA-N 1 3 180.295 1.071 10 30 ADEEHO CC[C@H]1CCC[N@H+](CC#CCN)C1 717426212 573443211 /nfs/dbraw/zinc/44/32/11/573443211.db2.gz GLBIAAZNVAYOMQ-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO CC[C@H]1CCC[N@@H+](CC#CCN)C1 717426212 573443218 /nfs/dbraw/zinc/44/32/18/573443218.db2.gz GLBIAAZNVAYOMQ-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C=C(C[NH3+])[C@@H]1CCCCN1CC 258355522 573443342 /nfs/dbraw/zinc/44/33/42/573443342.db2.gz YVUQRPPDCBQUHD-JTQLQIEISA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCNC[C@H]1CC[N@@H+](CC)C1 50521884 573445713 /nfs/dbraw/zinc/44/57/13/573445713.db2.gz OZVNGCPTGQJOFT-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCNC[C@H]1CC[N@H+](CC)C1 50521884 573445715 /nfs/dbraw/zinc/44/57/15/573445715.db2.gz OZVNGCPTGQJOFT-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CC[NH2+]C[C@H]1CCN(CC)C1 50521884 573445726 /nfs/dbraw/zinc/44/57/26/573445726.db2.gz OZVNGCPTGQJOFT-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=C[C@H](C)NC[C@H]1CC[N@H+](C)C1 235524401 571953474 /nfs/dbraw/zinc/95/34/74/571953474.db2.gz XTZYYKWALSYSFU-VHSXEESVSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@H](C)NC[C@H]1CC[N@@H+](C)C1 235524401 571953475 /nfs/dbraw/zinc/95/34/75/571953475.db2.gz XTZYYKWALSYSFU-VHSXEESVSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@H](C)N[C@@H]1CC[NH2+]CC1(C)C 300806220 571954317 /nfs/dbraw/zinc/95/43/17/571954317.db2.gz GIQVLZIJAKAIQR-VHSXEESVSA-N 1 3 182.311 1.539 10 30 ADEEHO C=C[C@H](C)[NH2+][C@@H]1CCNCC1(C)C 300806220 571954318 /nfs/dbraw/zinc/95/43/18/571954318.db2.gz GIQVLZIJAKAIQR-VHSXEESVSA-N 1 3 182.311 1.539 10 30 ADEEHO NCC#CC[N@@H+]1CC[C@H]2CCCC[C@@H]21 717447394 573477825 /nfs/dbraw/zinc/47/78/25/573477825.db2.gz AVKSDFSHMKUPPG-NEPJUHHUSA-N 1 3 192.306 1.213 10 30 ADEEHO NCC#CC[N@H+]1CC[C@H]2CCCC[C@@H]21 717447394 573477830 /nfs/dbraw/zinc/47/78/30/573477830.db2.gz AVKSDFSHMKUPPG-NEPJUHHUSA-N 1 3 192.306 1.213 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@H](OC)C[C@H]1C 300905530 572036512 /nfs/dbraw/zinc/03/65/12/572036512.db2.gz OCKJUQMVPLZBCA-MNOVXSKESA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@H](OC)C[C@H]1C 300905530 572036514 /nfs/dbraw/zinc/03/65/14/572036514.db2.gz OCKJUQMVPLZBCA-MNOVXSKESA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@H](OC)C[C@H]1C 300905530 572036516 /nfs/dbraw/zinc/03/65/16/572036516.db2.gz OCKJUQMVPLZBCA-MNOVXSKESA-N 1 3 198.310 1.001 10 30 ADEEHO C#C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])C(C)C 300940129 572111664 /nfs/dbraw/zinc/11/16/64/572111664.db2.gz OQTJUPQZDUDFRN-SDDRHHMPSA-N 1 3 194.322 1.361 10 30 ADEEHO CC(C)CC(C)(C)C[NH2+]CC#CCN 717457305 573499245 /nfs/dbraw/zinc/49/92/45/573499245.db2.gz QEXWPLWHTLZAKI-UHFFFAOYSA-N 1 3 196.338 1.610 10 30 ADEEHO CC(C)(C)C(C)(C)C[NH2+]CC#CCN 717456746 573499312 /nfs/dbraw/zinc/49/93/12/573499312.db2.gz IIMBHZRHRJJDOS-UHFFFAOYSA-N 1 3 196.338 1.610 10 30 ADEEHO C=C(C)CN(CC)C[C@@H](CC)C[NH3+] 83606625 572343327 /nfs/dbraw/zinc/34/33/27/572343327.db2.gz YCDGQPLXOVVXIH-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@@H](CC)CN 83606625 572343329 /nfs/dbraw/zinc/34/33/29/572343329.db2.gz YCDGQPLXOVVXIH-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@@H](CC)CN 83606625 572343331 /nfs/dbraw/zinc/34/33/31/572343331.db2.gz YCDGQPLXOVVXIH-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO NCC#CC[NH2+]C1CCC2(CC1)CC2 717459009 573507277 /nfs/dbraw/zinc/50/72/77/573507277.db2.gz IBLFGBPDEQDCCN-UHFFFAOYSA-N 1 3 192.306 1.261 10 30 ADEEHO CC#CCCN1CC[C@H]([NH3+])C(C)(C)C1 306436014 572663102 /nfs/dbraw/zinc/66/31/02/572663102.db2.gz GCOFGYBNOZIWFL-NSHDSACASA-N 1 3 194.322 1.459 10 30 ADEEHO NCC#CC[NH2+][C@H]1CC12CCCCC2 717477204 573545588 /nfs/dbraw/zinc/54/55/88/573545588.db2.gz XHOGCTGXAPYMSZ-NSHDSACASA-N 1 3 192.306 1.261 10 30 ADEEHO [NH3+]CC#CCN[C@H]1CC12CCCCC2 717477204 573545594 /nfs/dbraw/zinc/54/55/94/573545594.db2.gz XHOGCTGXAPYMSZ-NSHDSACASA-N 1 3 192.306 1.261 10 30 ADEEHO C#CCN(C)CCC[C@H]1CCCC[NH2+]1 130341619 573549177 /nfs/dbraw/zinc/54/91/77/573549177.db2.gz TYSRFASBBAKOJP-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C=CCC[N@@H+](C)[C@@H]1CC[C@@H]1CN 307928006 572776970 /nfs/dbraw/zinc/77/69/70/572776970.db2.gz ABBVSWFMTBJTKU-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@H+](C)[C@@H]1CC[C@@H]1CN 307928006 572776972 /nfs/dbraw/zinc/77/69/72/572776972.db2.gz ABBVSWFMTBJTKU-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCN(C)[C@@H]1CC[C@@H]1C[NH3+] 307928006 572776975 /nfs/dbraw/zinc/77/69/75/572776975.db2.gz ABBVSWFMTBJTKU-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO CC#CC[C@H](CC[NH+](CC)CC)NC 85795654 572817721 /nfs/dbraw/zinc/81/77/21/572817721.db2.gz VHBYMLQCBRIGCG-GFCCVEGCSA-N 1 3 196.338 1.720 10 30 ADEEHO CC#CC[C@H](CCN(CC)CC)[NH2+]C 85795654 572817723 /nfs/dbraw/zinc/81/77/23/572817723.db2.gz VHBYMLQCBRIGCG-GFCCVEGCSA-N 1 3 196.338 1.720 10 30 ADEEHO C=C(C)CN(CC)C[C@H]1CC[NH2+][C@@H]1C 86272538 572903855 /nfs/dbraw/zinc/90/38/55/572903855.db2.gz ZKQMTWCQLGYRIE-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C#CCCCCNCC(C)(C)[NH2+]C 308197132 572940195 /nfs/dbraw/zinc/94/01/95/572940195.db2.gz NHWPVQLJXNYXGK-UHFFFAOYSA-N 1 3 182.311 1.378 10 30 ADEEHO CC[C@H](CC#N)NC1CCC([NH3+])CC1 86729855 572974917 /nfs/dbraw/zinc/97/49/17/572974917.db2.gz SGFVVRAVAWLFGC-HSOILSAZSA-N 1 3 195.310 1.538 10 30 ADEEHO C=C[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C 308495120 573069073 /nfs/dbraw/zinc/06/90/73/573069073.db2.gz CXKMTAABEPLILP-GRYCIOLGSA-N 1 3 196.338 1.879 10 30 ADEEHO C=C[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C 308495124 573069184 /nfs/dbraw/zinc/06/91/84/573069184.db2.gz CXKMTAABEPLILP-SDDRHHMPSA-N 1 3 196.338 1.879 10 30 ADEEHO C=C[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C 308495124 573069186 /nfs/dbraw/zinc/06/91/86/573069186.db2.gz CXKMTAABEPLILP-SDDRHHMPSA-N 1 3 196.338 1.879 10 30 ADEEHO CC[N@@H+]1CCCC[C@@H]1CC#CCNC 258234156 573090990 /nfs/dbraw/zinc/09/09/90/573090990.db2.gz POGGOWQWVSVKBU-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO CC[N@H+]1CCCC[C@@H]1CC#CCNC 258234156 573090997 /nfs/dbraw/zinc/09/09/97/573090997.db2.gz POGGOWQWVSVKBU-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO C=CC[N@@H+](C(C)C)[C@@H](C)CCN 132101282 573212446 /nfs/dbraw/zinc/21/24/46/573212446.db2.gz QBGPLNJJRKPCIK-JTQLQIEISA-N 1 3 170.300 1.620 10 30 ADEEHO C=CC[N@H+](C(C)C)[C@@H](C)CCN 132101282 573212451 /nfs/dbraw/zinc/21/24/51/573212451.db2.gz QBGPLNJJRKPCIK-JTQLQIEISA-N 1 3 170.300 1.620 10 30 ADEEHO C=CCN(C(C)C)[C@@H](C)CC[NH3+] 132101282 573212456 /nfs/dbraw/zinc/21/24/56/573212456.db2.gz QBGPLNJJRKPCIK-JTQLQIEISA-N 1 3 170.300 1.620 10 30 ADEEHO C=CCCCC[NH2+]C[C@H]1CCCNC1 308517293 573214951 /nfs/dbraw/zinc/21/49/51/573214951.db2.gz VQQNTXKKQVWZKW-GFCCVEGCSA-N 1 3 196.338 1.932 10 30 ADEEHO C=CCN(C1CC1)[C@H](C)CC[NH3+] 132136023 573228858 /nfs/dbraw/zinc/22/88/58/573228858.db2.gz XCFWKGBCVASLSW-SECBINFHSA-N 1 3 168.284 1.374 10 30 ADEEHO C#CCC[N@@H+](C)[C@H]1CCCC[C@@H]1N 238330529 573277433 /nfs/dbraw/zinc/27/74/33/573277433.db2.gz ZNVHFRFNWQKBLC-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@H+](C)[C@H]1CCCC[C@@H]1N 238330529 573277438 /nfs/dbraw/zinc/27/74/38/573277438.db2.gz ZNVHFRFNWQKBLC-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO C=CCCN(C)[C@H]1CC[C@H]1C[NH2+]CC 308541807 573290245 /nfs/dbraw/zinc/29/02/45/573290245.db2.gz MXTNSCHKGQCFFK-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO CNCC#CC[C@@H]1CCCC[N@@H+]1C 258000815 573312285 /nfs/dbraw/zinc/31/22/85/573312285.db2.gz AHGGHDNOSLRQFU-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO CNCC#CC[C@@H]1CCCC[N@H+]1C 258000815 573312288 /nfs/dbraw/zinc/31/22/88/573312288.db2.gz AHGGHDNOSLRQFU-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO C=C(C)CN[C@H]1CC[N@@H+](CC)C[C@@H]1C 308553414 573322580 /nfs/dbraw/zinc/32/25/80/573322580.db2.gz YKGUQYCEEFJOSR-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)CN[C@H]1CC[N@H+](CC)C[C@@H]1C 308553414 573322586 /nfs/dbraw/zinc/32/25/86/573322586.db2.gz YKGUQYCEEFJOSR-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO CNCC#CC[C@@H]1CCC[N@@H+]1C(C)C 258007064 573337126 /nfs/dbraw/zinc/33/71/26/573337126.db2.gz AVFRAEUHLFGMKP-GFCCVEGCSA-N 1 3 194.322 1.472 10 30 ADEEHO CNCC#CC[C@@H]1CCC[N@H+]1C(C)C 258007064 573337131 /nfs/dbraw/zinc/33/71/31/573337131.db2.gz AVFRAEUHLFGMKP-GFCCVEGCSA-N 1 3 194.322 1.472 10 30 ADEEHO C#CCN(C)CC[C@H]1CCCC[C@H]1[NH3+] 308566787 573382249 /nfs/dbraw/zinc/38/22/49/573382249.db2.gz IBORZFJIWWCVNU-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C=CCN(C[C@@H]1CC[NH2+]C1)C(C)C 133342202 573390087 /nfs/dbraw/zinc/39/00/87/573390087.db2.gz SQBQQGOPRCKOBM-LLVKDONJSA-N 1 3 182.311 1.492 10 30 ADEEHO C=C(C)CCN1C[C@H](C)[C@@H]([NH3+])C1 235582404 573392456 /nfs/dbraw/zinc/39/24/56/573392456.db2.gz ZJTACALKRBEYDD-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C#CCC[N@H+]1C[C@@H](CN)CC[C@H]1C 69728919 573430007 /nfs/dbraw/zinc/43/00/07/573430007.db2.gz QDDOQSVXJQYNQQ-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@@H+]1C[C@@H](CN)CC[C@H]1C 69728919 573430015 /nfs/dbraw/zinc/43/00/15/573430015.db2.gz QDDOQSVXJQYNQQ-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCN1C[C@@H](C[NH3+])CC[C@H]1C 69728919 573430019 /nfs/dbraw/zinc/43/00/19/573430019.db2.gz QDDOQSVXJQYNQQ-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@H+]1C[C@@H](CN)CC[C@@H]1C 69728922 573430219 /nfs/dbraw/zinc/43/02/19/573430219.db2.gz QDDOQSVXJQYNQQ-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 69728922 573430224 /nfs/dbraw/zinc/43/02/24/573430224.db2.gz QDDOQSVXJQYNQQ-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCN1C[C@@H](C[NH3+])CC[C@@H]1C 69728922 573430230 /nfs/dbraw/zinc/43/02/30/573430230.db2.gz QDDOQSVXJQYNQQ-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C=CC[NH2+]C[C@H]1CCN(C2CC2)C1 50521933 573442326 /nfs/dbraw/zinc/44/23/26/573442326.db2.gz RQZXGSKDGVPKOC-SNVBAGLBSA-N 1 3 180.295 1.246 10 30 ADEEHO C=CCNC[C@H]1CC[N@@H+](C2CC2)C1 50521933 573442329 /nfs/dbraw/zinc/44/23/29/573442329.db2.gz RQZXGSKDGVPKOC-SNVBAGLBSA-N 1 3 180.295 1.246 10 30 ADEEHO C=CCNC[C@H]1CC[N@H+](C2CC2)C1 50521933 573442335 /nfs/dbraw/zinc/44/23/35/573442335.db2.gz RQZXGSKDGVPKOC-SNVBAGLBSA-N 1 3 180.295 1.246 10 30 ADEEHO CC[C@@H]1CCC[N@H+](CC#CCN)C1 717426210 573441770 /nfs/dbraw/zinc/44/17/70/573441770.db2.gz GLBIAAZNVAYOMQ-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO CC[C@@H]1CCC[N@@H+](CC#CCN)C1 717426210 573441777 /nfs/dbraw/zinc/44/17/77/573441777.db2.gz GLBIAAZNVAYOMQ-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO C=CC[NH2+]C[C@@H]1CCN(C2CC2)C1 50521931 573444995 /nfs/dbraw/zinc/44/49/95/573444995.db2.gz RQZXGSKDGVPKOC-JTQLQIEISA-N 1 3 180.295 1.246 10 30 ADEEHO C=CCNC[C@@H]1CC[N@@H+](C2CC2)C1 50521931 573445000 /nfs/dbraw/zinc/44/50/00/573445000.db2.gz RQZXGSKDGVPKOC-JTQLQIEISA-N 1 3 180.295 1.246 10 30 ADEEHO C=CCNC[C@@H]1CC[N@H+](C2CC2)C1 50521931 573445006 /nfs/dbraw/zinc/44/50/06/573445006.db2.gz RQZXGSKDGVPKOC-JTQLQIEISA-N 1 3 180.295 1.246 10 30 ADEEHO C=CCNC[C@@H]1CC[N@@H+](CC)C1 50521886 573445358 /nfs/dbraw/zinc/44/53/58/573445358.db2.gz OZVNGCPTGQJOFT-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCNC[C@@H]1CC[N@H+](CC)C1 50521886 573445362 /nfs/dbraw/zinc/44/53/62/573445362.db2.gz OZVNGCPTGQJOFT-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=CC[NH2+]C[C@@H]1CCN(CC)C1 50521886 573445365 /nfs/dbraw/zinc/44/53/65/573445365.db2.gz OZVNGCPTGQJOFT-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO CC[C@@H]1C[C@H](C)C[N@@H+]1CC#CCN 717443648 573467292 /nfs/dbraw/zinc/46/72/92/573467292.db2.gz XMXMIAZEMCCSGD-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO CC[C@@H]1C[C@H](C)C[N@H+]1CC#CCN 717443648 573467296 /nfs/dbraw/zinc/46/72/96/573467296.db2.gz XMXMIAZEMCCSGD-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO CCC[C@H]1CCCC[N@@H+]1CC#CCN 717449864 573480728 /nfs/dbraw/zinc/48/07/28/573480728.db2.gz VMRIVTIETUKCLN-LBPRGKRZSA-N 1 3 194.322 1.603 10 30 ADEEHO CCC[C@H]1CCCC[N@H+]1CC#CCN 717449864 573480737 /nfs/dbraw/zinc/48/07/37/573480737.db2.gz VMRIVTIETUKCLN-LBPRGKRZSA-N 1 3 194.322 1.603 10 30 ADEEHO C[C@H]1C[C@@H](C)C[N@@H+](CC#CCN)[C@H]1C 717447391 573480823 /nfs/dbraw/zinc/48/08/23/573480823.db2.gz AVIVMJXTOIZODD-WOPDTQHZSA-N 1 3 194.322 1.315 10 30 ADEEHO C[C@H]1C[C@@H](C)C[N@H+](CC#CCN)[C@H]1C 717447391 573480829 /nfs/dbraw/zinc/48/08/29/573480829.db2.gz AVIVMJXTOIZODD-WOPDTQHZSA-N 1 3 194.322 1.315 10 30 ADEEHO NCC#CC[N@@H+]1CC[C@H]2CCCC[C@H]21 717447401 573480857 /nfs/dbraw/zinc/48/08/57/573480857.db2.gz AVKSDFSHMKUPPG-VXGBXAGGSA-N 1 3 192.306 1.213 10 30 ADEEHO NCC#CC[N@H+]1CC[C@H]2CCCC[C@H]21 717447401 573480863 /nfs/dbraw/zinc/48/08/63/573480863.db2.gz AVKSDFSHMKUPPG-VXGBXAGGSA-N 1 3 192.306 1.213 10 30 ADEEHO CC(C)C1CCN(CC#CC[NH3+])CC1 717449203 573480896 /nfs/dbraw/zinc/48/08/96/573480896.db2.gz OLUZLMYAIANBAF-UHFFFAOYSA-N 1 3 194.322 1.317 10 30 ADEEHO NCC#CC[NH2+][C@@H]1CC12CCCCC2 717477203 573542411 /nfs/dbraw/zinc/54/24/11/573542411.db2.gz XHOGCTGXAPYMSZ-LLVKDONJSA-N 1 3 192.306 1.261 10 30 ADEEHO [NH3+]CC#CCN[C@@H]1CC12CCCCC2 717477203 573542419 /nfs/dbraw/zinc/54/24/19/573542419.db2.gz XHOGCTGXAPYMSZ-LLVKDONJSA-N 1 3 192.306 1.261 10 30 ADEEHO NCC#CC[NH2+][C@H]1CCC12CCCC2 717479420 573556221 /nfs/dbraw/zinc/55/62/21/573556221.db2.gz WGNXORYNKZOLIY-NSHDSACASA-N 1 3 192.306 1.261 10 30 ADEEHO C#CCN(CCC)C[C@H]1CCC[C@@H]1[NH3+] 130429498 573575618 /nfs/dbraw/zinc/57/56/18/573575618.db2.gz RVSJFLXGGJGPNH-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO CC(C)[N@@H+]1CCC[C@H]1CC#CCN 258070774 573599227 /nfs/dbraw/zinc/59/92/27/573599227.db2.gz FHEYJSUFAZOJQE-LLVKDONJSA-N 1 3 180.295 1.211 10 30 ADEEHO CC(C)[N@H+]1CCC[C@H]1CC#CCN 258070774 573599230 /nfs/dbraw/zinc/59/92/30/573599230.db2.gz FHEYJSUFAZOJQE-LLVKDONJSA-N 1 3 180.295 1.211 10 30 ADEEHO C[C@H]1CCC[C@@H](C)[N@@H+]1CC#CCN 238448797 573614337 /nfs/dbraw/zinc/61/43/37/573614337.db2.gz FZPVKPUTRAEZQF-PHIMTYICSA-N 1 3 180.295 1.211 10 30 ADEEHO C[C@H]1CCC[C@@H](C)[N@H+]1CC#CCN 238448797 573614341 /nfs/dbraw/zinc/61/43/41/573614341.db2.gz FZPVKPUTRAEZQF-PHIMTYICSA-N 1 3 180.295 1.211 10 30 ADEEHO C#C[C@H](CCC)[NH2+][C@@H]1CCNC[C@@H]1C 308643078 573614447 /nfs/dbraw/zinc/61/44/47/573614447.db2.gz FCLKJNJQUQMARH-QJPTWQEYSA-N 1 3 194.322 1.376 10 30 ADEEHO C#C[C@H](CCC)[NH2+][C@H]1CCNC[C@H]1C 308643080 573616428 /nfs/dbraw/zinc/61/64/28/573616428.db2.gz FCLKJNJQUQMARH-UTUOFQBUSA-N 1 3 194.322 1.376 10 30 ADEEHO C[C@H]1CCC[C@H](C)[NH+]1CC#CCN 238457974 573654917 /nfs/dbraw/zinc/65/49/17/573654917.db2.gz FZPVKPUTRAEZQF-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO C[C@H](CC#N)NCC[C@@H]1CC[N@H+](C)C1 308663617 573663327 /nfs/dbraw/zinc/66/33/27/573663327.db2.gz RGBTYHNIBXGPKO-GHMZBOCLSA-N 1 3 195.310 1.220 10 30 ADEEHO C[C@H](CC#N)NCC[C@@H]1CC[N@@H+](C)C1 308663617 573663331 /nfs/dbraw/zinc/66/33/31/573663331.db2.gz RGBTYHNIBXGPKO-GHMZBOCLSA-N 1 3 195.310 1.220 10 30 ADEEHO C[NH+]1CCC([C@H](N)C(C)(C)C#N)CC1 259546300 573667762 /nfs/dbraw/zinc/66/77/62/573667762.db2.gz UJMCDXLLDBCOMU-JTQLQIEISA-N 1 3 195.310 1.205 10 30 ADEEHO C#CCN(C)CCCCC[NH2+]CC 130851280 573687891 /nfs/dbraw/zinc/68/78/91/573687891.db2.gz TUZSGTSOEOFYEH-UHFFFAOYSA-N 1 3 182.311 1.331 10 30 ADEEHO C=CCC[C@H](C)N1CC2=C(C[NH2+]C2)C1 308674829 573690789 /nfs/dbraw/zinc/69/07/89/573690789.db2.gz VXYMQBLXWZFYSB-JTQLQIEISA-N 1 3 192.306 1.557 10 30 ADEEHO C=C[C@@H](CC[NH+](C)C)NCC 126805247 573693166 /nfs/dbraw/zinc/69/31/66/573693166.db2.gz VREGEPIHZGJJMM-VIFPVBQESA-N 1 3 156.273 1.102 10 30 ADEEHO C=CCN(CC)C[C@@H]1CC[C@H](C[NH3+])O1 126873928 573706479 /nfs/dbraw/zinc/70/64/79/573706479.db2.gz HNNBSAWVWCJQPF-MNOVXSKESA-N 1 3 198.310 1.001 10 30 ADEEHO C#CCN(C)CCCCCC[NH2+]C 130869192 573713519 /nfs/dbraw/zinc/71/35/19/573713519.db2.gz MEYMMTMWYFCLPB-UHFFFAOYSA-N 1 3 182.311 1.331 10 30 ADEEHO C#CCN(CCC)[C@@H](C)[C@@H](C)C[NH2+]C 130950538 573713572 /nfs/dbraw/zinc/71/35/72/573713572.db2.gz IGGCOFQEQOYGMR-RYUDHWBXSA-N 1 3 196.338 1.576 10 30 ADEEHO C=CC[C@H](C)[NH2+]CC1=CCN(C)CC1 308679739 573719109 /nfs/dbraw/zinc/71/91/09/573719109.db2.gz XIPMBOITSXSGTG-NSHDSACASA-N 1 3 194.322 1.803 10 30 ADEEHO C=C[C@H](C)N[C@@H]1CC[N@@H+](CC)C[C@H]1C 393668570 573742944 /nfs/dbraw/zinc/74/29/44/573742944.db2.gz PJFUXHWKHKAGFZ-GRYCIOLGSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)N[C@@H]1CC[N@H+](CC)C[C@H]1C 393668570 573742946 /nfs/dbraw/zinc/74/29/46/573742946.db2.gz PJFUXHWKHKAGFZ-GRYCIOLGSA-N 1 3 196.338 1.881 10 30 ADEEHO C#CC[C@H](CC)[NH2+][C@@H]1CCNC[C@@H]1C 308710781 573770338 /nfs/dbraw/zinc/77/03/38/573770338.db2.gz YSFMEMZMJLJRNX-SDDRHHMPSA-N 1 3 194.322 1.376 10 30 ADEEHO C=CC[N@H+]1C[C@@H](CN)CC1(C)C 259567240 573774887 /nfs/dbraw/zinc/77/48/87/573774887.db2.gz YJXMIRNNBGKIPH-SECBINFHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[N@@H+]1C[C@@H](CN)CC1(C)C 259567240 573774890 /nfs/dbraw/zinc/77/48/90/573774890.db2.gz YJXMIRNNBGKIPH-SECBINFHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[N@H+]1CC[C@H](CN)C1(C)C 259190673 573798911 /nfs/dbraw/zinc/79/89/11/573798911.db2.gz BPMPPJVUVISQMN-SECBINFHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[N@@H+]1CC[C@H](CN)C1(C)C 259190673 573798916 /nfs/dbraw/zinc/79/89/16/573798916.db2.gz BPMPPJVUVISQMN-SECBINFHSA-N 1 3 168.284 1.232 10 30 ADEEHO CCN1CCCC[C@H]1C#CC[NH2+]C 258146504 573819574 /nfs/dbraw/zinc/81/95/74/573819574.db2.gz KAVVUDCXMWOGTO-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO CCN1CCCC[C@@H]1C#CC[NH2+]C 258146503 573821016 /nfs/dbraw/zinc/82/10/16/573821016.db2.gz KAVVUDCXMWOGTO-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO CC(C)[N@@H+]1CCC[C@H](CC#CCN)C1 258149069 573825083 /nfs/dbraw/zinc/82/50/83/573825083.db2.gz KFKZOYLLFHAAQC-LBPRGKRZSA-N 1 3 194.322 1.459 10 30 ADEEHO CC(C)[N@H+]1CCC[C@H](CC#CCN)C1 258149069 573825085 /nfs/dbraw/zinc/82/50/85/573825085.db2.gz KFKZOYLLFHAAQC-LBPRGKRZSA-N 1 3 194.322 1.459 10 30 ADEEHO C=CCN1C[C@@H](C[NH3+])CCC1(C)C 259207702 573840574 /nfs/dbraw/zinc/84/05/74/573840574.db2.gz CJVVTHQWKJUMNJ-SNVBAGLBSA-N 1 3 182.311 1.622 10 30 ADEEHO C#C[C@H](C)NC(C[NH3+])(C(C)C)C(C)C 308451843 573845960 /nfs/dbraw/zinc/84/59/60/573845960.db2.gz COKSXONIOUBZDN-NSHDSACASA-N 1 3 196.338 1.607 10 30 ADEEHO C=CCN(C)C[C@H]1CCCC[C@@H]1[NH3+] 131448917 573871832 /nfs/dbraw/zinc/87/18/32/573871832.db2.gz NORQAZCXRJOOTA-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN(C)C[C@@H](C[NH3+])CCC 131450882 573872546 /nfs/dbraw/zinc/87/25/46/573872546.db2.gz ONFFVSLXBICECI-SNVBAGLBSA-N 1 3 170.300 1.479 10 30 ADEEHO C=C1CCCN(C/C(C)=C\C[NH3+])C1 642835762 573872693 /nfs/dbraw/zinc/87/26/93/573872693.db2.gz ODIZAQFBZNTLNP-WZUFQYTHSA-N 1 3 180.295 1.543 10 30 ADEEHO C=CCN(C)Cc1ccc(C[NH3+])cc1 131464088 573879173 /nfs/dbraw/zinc/87/91/73/573879173.db2.gz DTMXARSOCUQNME-UHFFFAOYSA-N 1 3 190.290 1.763 10 30 ADEEHO NC1(C#CC2([NH3+])CCCCC2)CC1 238553318 573880965 /nfs/dbraw/zinc/88/09/65/573880965.db2.gz ALFHBORCPXPRBB-UHFFFAOYSA-N 1 3 178.279 1.143 10 30 ADEEHO C=CCN(C[C@@H]1CC[NH2+][C@@H]1C)C(C)C 131619946 573893324 /nfs/dbraw/zinc/89/33/24/573893324.db2.gz BNLMZVXPNVNIAW-NEPJUHHUSA-N 1 3 196.338 1.881 10 30 ADEEHO C=CCN(C[C@@H]1CC[NH2+][C@H]1C)C(C)C 131620155 573895442 /nfs/dbraw/zinc/89/54/42/573895442.db2.gz BNLMZVXPNVNIAW-RYUDHWBXSA-N 1 3 196.338 1.881 10 30 ADEEHO C=CC[N@@H+](C[C@H](N)CC)C(C)C 131629973 573896281 /nfs/dbraw/zinc/89/62/81/573896281.db2.gz PLMRPWPRAGYRHG-SNVBAGLBSA-N 1 3 170.300 1.620 10 30 ADEEHO C=CC[N@H+](C[C@H](N)CC)C(C)C 131629973 573896286 /nfs/dbraw/zinc/89/62/86/573896286.db2.gz PLMRPWPRAGYRHG-SNVBAGLBSA-N 1 3 170.300 1.620 10 30 ADEEHO C=CC[N@@H+](C[C@H](N)C(C)C)C(C)C 131614998 573896407 /nfs/dbraw/zinc/89/64/07/573896407.db2.gz ZMZPZSQFDRFFPA-NSHDSACASA-N 1 3 184.327 1.866 10 30 ADEEHO C=CC[N@H+](C[C@H](N)C(C)C)C(C)C 131614998 573896410 /nfs/dbraw/zinc/89/64/10/573896410.db2.gz ZMZPZSQFDRFFPA-NSHDSACASA-N 1 3 184.327 1.866 10 30 ADEEHO C=CCN(C[C@H](C)C[NH2+]C)C(C)C 131631647 573896565 /nfs/dbraw/zinc/89/65/65/573896565.db2.gz PKPWKZYXILYAEW-LLVKDONJSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@@H](C)N1CCC(C)([NH3+])CC1 715052043 573898022 /nfs/dbraw/zinc/89/80/22/573898022.db2.gz GSMUMTFTEXFIGR-SNVBAGLBSA-N 1 3 182.311 1.764 10 30 ADEEHO C=CCN(CC)C[C@@H](C[NH3+])C(C)C 131537467 573900404 /nfs/dbraw/zinc/90/04/04/573900404.db2.gz YEJFGNAXYNXXDI-LLVKDONJSA-N 1 3 184.327 1.725 10 30 ADEEHO CC[N@@H+]1CCC[C@H](CC#CCN)C1 258174936 573900559 /nfs/dbraw/zinc/90/05/59/573900559.db2.gz LQLWARPWIPOVJC-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO CC[N@H+]1CCC[C@H](CC#CCN)C1 258174936 573900562 /nfs/dbraw/zinc/90/05/62/573900562.db2.gz LQLWARPWIPOVJC-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C=CC[N@@H+](CCC)CC1(N)CCC1 131550594 573901965 /nfs/dbraw/zinc/90/19/65/573901965.db2.gz RRGDENNLAWHOMQ-UHFFFAOYSA-N 1 3 182.311 1.766 10 30 ADEEHO C=CC[N@H+](CCC)CC1(N)CCC1 131550594 573901969 /nfs/dbraw/zinc/90/19/69/573901969.db2.gz RRGDENNLAWHOMQ-UHFFFAOYSA-N 1 3 182.311 1.766 10 30 ADEEHO C=C(CC)C[NH2+]C[C@H](C)CN(C)C 393553522 573904728 /nfs/dbraw/zinc/90/47/28/573904728.db2.gz XCWWOWFTYXGJDO-NSHDSACASA-N 1 3 184.327 1.740 10 30 ADEEHO C=CCN(CCC)C[C@@H]1CC[NH2+]C1 131558827 573904731 /nfs/dbraw/zinc/90/47/31/573904731.db2.gz IXKFEOUXYINPDF-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(CC)CNC[C@H](C)C[NH+](C)C 393553522 573904734 /nfs/dbraw/zinc/90/47/34/573904734.db2.gz XCWWOWFTYXGJDO-NSHDSACASA-N 1 3 184.327 1.740 10 30 ADEEHO C=C(CC)C[NH2+]C[C@@H](C)CN(C)C 393553521 573906207 /nfs/dbraw/zinc/90/62/07/573906207.db2.gz XCWWOWFTYXGJDO-LLVKDONJSA-N 1 3 184.327 1.740 10 30 ADEEHO C=C(CC)CNC[C@@H](C)C[NH+](C)C 393553521 573906211 /nfs/dbraw/zinc/90/62/11/573906211.db2.gz XCWWOWFTYXGJDO-LLVKDONJSA-N 1 3 184.327 1.740 10 30 ADEEHO C=CCN(C[C@@H]1CC[NH2+]C1)C(C)(C)C 131708176 573909246 /nfs/dbraw/zinc/90/92/46/573909246.db2.gz ODFPKSUPSBSGAY-LLVKDONJSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN(C[C@H]1CC[NH2+]C1)C(C)(C)C 131708411 573910246 /nfs/dbraw/zinc/91/02/46/573910246.db2.gz ODFPKSUPSBSGAY-NSHDSACASA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN(CCC[NH2+]C)C(C)(C)C 131714436 573911375 /nfs/dbraw/zinc/91/13/75/573911375.db2.gz GRRLDEYVGQGFHU-UHFFFAOYSA-N 1 3 184.327 1.882 10 30 ADEEHO C=CC[N@@H+](CCCNC)C(C)(C)C 131714436 573911381 /nfs/dbraw/zinc/91/13/81/573911381.db2.gz GRRLDEYVGQGFHU-UHFFFAOYSA-N 1 3 184.327 1.882 10 30 ADEEHO C=CC[N@H+](CCCNC)C(C)(C)C 131714436 573911385 /nfs/dbraw/zinc/91/13/85/573911385.db2.gz GRRLDEYVGQGFHU-UHFFFAOYSA-N 1 3 184.327 1.882 10 30 ADEEHO C=C(CC)CN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238182948 573911479 /nfs/dbraw/zinc/91/14/79/573911479.db2.gz KQEFFKYZIBHYSG-ZSBIGDGJSA-N 1 3 194.322 1.907 10 30 ADEEHO C=C(CC)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238182948 573911483 /nfs/dbraw/zinc/91/14/83/573911483.db2.gz KQEFFKYZIBHYSG-ZSBIGDGJSA-N 1 3 194.322 1.907 10 30 ADEEHO C=C(CC)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238182948 573911484 /nfs/dbraw/zinc/91/14/84/573911484.db2.gz KQEFFKYZIBHYSG-ZSBIGDGJSA-N 1 3 194.322 1.907 10 30 ADEEHO C=C(CC)CN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238182931 573913072 /nfs/dbraw/zinc/91/30/72/573913072.db2.gz KQEFFKYZIBHYSG-CNDDSTCGSA-N 1 3 194.322 1.907 10 30 ADEEHO C=C(CC)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238182931 573913075 /nfs/dbraw/zinc/91/30/75/573913075.db2.gz KQEFFKYZIBHYSG-CNDDSTCGSA-N 1 3 194.322 1.907 10 30 ADEEHO C=C(CC)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238182931 573913083 /nfs/dbraw/zinc/91/30/83/573913083.db2.gz KQEFFKYZIBHYSG-CNDDSTCGSA-N 1 3 194.322 1.907 10 30 ADEEHO C[N@@H+]1CCC[C@H](CNCCCC#N)C1 44537244 573916539 /nfs/dbraw/zinc/91/65/39/573916539.db2.gz RPLBLJBMCGTQKT-LLVKDONJSA-N 1 3 195.310 1.222 10 30 ADEEHO C[N@H+]1CCC[C@H](CNCCCC#N)C1 44537244 573916548 /nfs/dbraw/zinc/91/65/48/573916548.db2.gz RPLBLJBMCGTQKT-LLVKDONJSA-N 1 3 195.310 1.222 10 30 ADEEHO C=CC[C@@H](C)[N@@H+](C)C[C@@H](C)CNC 715069678 573930660 /nfs/dbraw/zinc/93/06/60/573930660.db2.gz NVIRUMOTHXXPMB-WDEREUQCSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@@H](C)[N@H+](C)C[C@@H](C)CNC 715069678 573930665 /nfs/dbraw/zinc/93/06/65/573930665.db2.gz NVIRUMOTHXXPMB-WDEREUQCSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@@H](C)N(C)C[C@@H](C)C[NH2+]C 715069678 573930669 /nfs/dbraw/zinc/93/06/69/573930669.db2.gz NVIRUMOTHXXPMB-WDEREUQCSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@@H](C)[N@@H+](C)C[C@H](C)CNC 715069673 573930053 /nfs/dbraw/zinc/93/00/53/573930053.db2.gz NVIRUMOTHXXPMB-GHMZBOCLSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@@H](C)[N@H+](C)C[C@H](C)CNC 715069673 573930057 /nfs/dbraw/zinc/93/00/57/573930057.db2.gz NVIRUMOTHXXPMB-GHMZBOCLSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@@H](C)N(C)C[C@H](C)C[NH2+]C 715069673 573930060 /nfs/dbraw/zinc/93/00/60/573930060.db2.gz NVIRUMOTHXXPMB-GHMZBOCLSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[N@H+]1C[C@@H](N)CCC1(C)C 259585139 573933135 /nfs/dbraw/zinc/93/31/35/573933135.db2.gz ZPNXUGSDGPJZER-VIFPVBQESA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC[N@@H+]1C[C@@H](N)CCC1(C)C 259585139 573933137 /nfs/dbraw/zinc/93/31/37/573933137.db2.gz ZPNXUGSDGPJZER-VIFPVBQESA-N 1 3 168.284 1.374 10 30 ADEEHO CC[C@@H](CC#N)NCCCC[NH+](C)C 45697747 573997939 /nfs/dbraw/zinc/99/79/39/573997939.db2.gz JWMYXMZHHDNBQH-NSHDSACASA-N 1 3 197.326 1.610 10 30 ADEEHO C=CCCCC[NH2+]CCCN 238567686 574000461 /nfs/dbraw/zinc/00/04/61/574000461.db2.gz AZFYMQQSOMKSAO-UHFFFAOYSA-N 1 3 156.273 1.281 10 30 ADEEHO C=CCN1C[C@@H](C[NH2+]C)CC1(C)C 259275056 574018218 /nfs/dbraw/zinc/01/82/18/574018218.db2.gz GHFWLFGDYFANJZ-SNVBAGLBSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN1C[C@H](C[NH2+]C)CC1(C)C 259275051 574018347 /nfs/dbraw/zinc/01/83/47/574018347.db2.gz GHFWLFGDYFANJZ-JTQLQIEISA-N 1 3 182.311 1.492 10 30 ADEEHO C[C@H](CC[NH+](C)C)NCCCC#N 49557700 574043646 /nfs/dbraw/zinc/04/36/46/574043646.db2.gz DBQFVJCNIKXBCH-SNVBAGLBSA-N 1 3 183.299 1.220 10 30 ADEEHO C=CCCCC[N@H+]1CC[C@@](C)(N)C1 1204762679 761866218 /nfs/dbraw/zinc/86/62/18/761866218.db2.gz AQWAKIPZJDJBKP-LLVKDONJSA-N 1 3 182.311 1.766 10 30 ADEEHO C=CCCCC[N@@H+]1CC[C@@](C)(N)C1 1204762679 761866219 /nfs/dbraw/zinc/86/62/19/761866219.db2.gz AQWAKIPZJDJBKP-LLVKDONJSA-N 1 3 182.311 1.766 10 30 ADEEHO C=CCCCC[N@H+]1CC[C@](C)(N)C1 1204762681 761866802 /nfs/dbraw/zinc/86/68/02/761866802.db2.gz AQWAKIPZJDJBKP-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C=CCCCC[N@@H+]1CC[C@](C)(N)C1 1204762681 761866805 /nfs/dbraw/zinc/86/68/05/761866805.db2.gz AQWAKIPZJDJBKP-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C=CCCCC[N@H+]1C[C@H](C)[C@H](CN)C1 1205130505 761900999 /nfs/dbraw/zinc/90/09/99/761900999.db2.gz GVLQGNVSQLMXMJ-NWDGAFQWSA-N 1 3 196.338 1.869 10 30 ADEEHO C=CCCCC[N@@H+]1C[C@H](C)[C@H](CN)C1 1205130505 761901006 /nfs/dbraw/zinc/90/10/06/761901006.db2.gz GVLQGNVSQLMXMJ-NWDGAFQWSA-N 1 3 196.338 1.869 10 30 ADEEHO C=CC[C@@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 723462826 673928320 /nfs/dbraw/zinc/92/83/20/673928320.db2.gz RDHRAOYTOXQQGX-OPRDCNLKSA-N 1 3 168.284 1.230 10 30 ADEEHO C#CCCN1CC[C@H]2[C@@H]1CCC[N@H+]2C 720350973 673943055 /nfs/dbraw/zinc/94/30/55/673943055.db2.gz JLQLTMZPQGOQMV-RYUDHWBXSA-N 1 3 192.306 1.178 10 30 ADEEHO C#CCCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C 720350973 673943056 /nfs/dbraw/zinc/94/30/56/673943056.db2.gz JLQLTMZPQGOQMV-RYUDHWBXSA-N 1 3 192.306 1.178 10 30 ADEEHO C=CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 84447651 673975953 /nfs/dbraw/zinc/97/59/53/673975953.db2.gz NTARPFOFCWEPQN-JTQLQIEISA-N 1 3 182.311 1.635 10 30 ADEEHO C=CCN[C@H]1CC[N@H+](C)C(C)(C)C1 84447651 673975956 /nfs/dbraw/zinc/97/59/56/673975956.db2.gz NTARPFOFCWEPQN-JTQLQIEISA-N 1 3 182.311 1.635 10 30 ADEEHO C=CCCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 703607611 673983192 /nfs/dbraw/zinc/98/31/92/673983192.db2.gz JAGRBGRYHNJCDQ-NWDGAFQWSA-N 1 3 194.322 1.494 10 30 ADEEHO C=CCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 703596101 673983368 /nfs/dbraw/zinc/98/33/68/673983368.db2.gz SUOJNMFGGOPKIY-WDEREUQCSA-N 1 3 180.295 1.104 10 30 ADEEHO C=CC[N@@H+]1CCNCCC12CCC2 713152513 674013297 /nfs/dbraw/zinc/01/32/97/674013297.db2.gz WACFFNWQWSBZRM-UHFFFAOYSA-N 1 3 180.295 1.390 10 30 ADEEHO C=CC[N@H+]1CCNCCC12CCC2 713152513 674013299 /nfs/dbraw/zinc/01/32/99/674013299.db2.gz WACFFNWQWSBZRM-UHFFFAOYSA-N 1 3 180.295 1.390 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 715003963 674018850 /nfs/dbraw/zinc/01/88/50/674018850.db2.gz YGVYUFLUSDTJMT-GARJFASQSA-N 1 3 182.311 1.478 10 30 ADEEHO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 715003963 674018851 /nfs/dbraw/zinc/01/88/51/674018851.db2.gz YGVYUFLUSDTJMT-GARJFASQSA-N 1 3 182.311 1.478 10 30 ADEEHO C=CC[C@@H](C)[N@@H+]1CC[C@@H](CN)C1 714997445 674018838 /nfs/dbraw/zinc/01/88/38/674018838.db2.gz ZVRFSJKHVYOYQQ-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@@H](CN)C1 714997441 674018272 /nfs/dbraw/zinc/01/82/72/674018272.db2.gz ZVRFSJKHVYOYQQ-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@@H](CN)C1 714997441 674018273 /nfs/dbraw/zinc/01/82/73/674018273.db2.gz 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/nfs/dbraw/zinc/01/84/77/674018477.db2.gz ZVRFSJKHVYOYQQ-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@H](CN)C1 714997443 674018478 /nfs/dbraw/zinc/01/84/78/674018478.db2.gz ZVRFSJKHVYOYQQ-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](CN)C1 715003967 674018514 /nfs/dbraw/zinc/01/85/14/674018514.db2.gz YGVYUFLUSDTJMT-VWYCJHECSA-N 1 3 182.311 1.478 10 30 ADEEHO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](CN)C1 715003967 674018515 /nfs/dbraw/zinc/01/85/15/674018515.db2.gz YGVYUFLUSDTJMT-VWYCJHECSA-N 1 3 182.311 1.478 10 30 ADEEHO C=CC[C@H](C)[N@H+](C)CCCN 714995742 674018609 /nfs/dbraw/zinc/01/86/09/674018609.db2.gz KQXKEPIRFVVJNY-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C=CC[C@H](C)[N@@H+](C)CCCN 714995742 674018612 /nfs/dbraw/zinc/01/86/12/674018612.db2.gz KQXKEPIRFVVJNY-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 715051384 674019256 /nfs/dbraw/zinc/01/92/56/674019256.db2.gz 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168.284 1.230 10 30 ADEEHO C=CC[C@H](C)[N@H+]1C[C@H](CN)[C@@H](C)C1 715003960 674018833 /nfs/dbraw/zinc/01/88/33/674018833.db2.gz YGVYUFLUSDTJMT-DCAQKATOSA-N 1 3 182.311 1.478 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1C[C@H](CN)[C@@H](C)C1 715003960 674018834 /nfs/dbraw/zinc/01/88/34/674018834.db2.gz YGVYUFLUSDTJMT-DCAQKATOSA-N 1 3 182.311 1.478 10 30 ADEEHO C=CC[C@@H](C)[N@@H+]1CC[C@H](CN)C1 714997440 674018894 /nfs/dbraw/zinc/01/88/94/674018894.db2.gz ZVRFSJKHVYOYQQ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@@H](C)[N@H+]1CC[C@H](CN)C1 714997440 674018895 /nfs/dbraw/zinc/01/88/95/674018895.db2.gz ZVRFSJKHVYOYQQ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CN)C1 714996344 674018924 /nfs/dbraw/zinc/01/89/24/674018924.db2.gz PZDXOTLFALEVEU-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CN)C1 714996344 674018925 /nfs/dbraw/zinc/01/89/25/674018925.db2.gz PZDXOTLFALEVEU-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[C@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 714996560 674018935 /nfs/dbraw/zinc/01/89/35/674018935.db2.gz RDHRAOYTOXQQGX-KXUCPTDWSA-N 1 3 168.284 1.230 10 30 ADEEHO C=CC[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 714996564 674018957 /nfs/dbraw/zinc/01/89/57/674018957.db2.gz RDHRAOYTOXQQGX-UTLUCORTSA-N 1 3 168.284 1.230 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 715051383 674019622 /nfs/dbraw/zinc/01/96/22/674019622.db2.gz BYYFBTOUTAOFHL-SRVKXCTJSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CN)C1 715051383 674019624 /nfs/dbraw/zinc/01/96/24/674019624.db2.gz BYYFBTOUTAOFHL-SRVKXCTJSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 715051381 674019773 /nfs/dbraw/zinc/01/97/73/674019773.db2.gz BYYFBTOUTAOFHL-SDDRHHMPSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](CN)C1 715051381 674019774 /nfs/dbraw/zinc/01/97/74/674019774.db2.gz BYYFBTOUTAOFHL-SDDRHHMPSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 715051379 674019945 /nfs/dbraw/zinc/01/99/45/674019945.db2.gz BYYFBTOUTAOFHL-GRYCIOLGSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 715051379 674019946 /nfs/dbraw/zinc/01/99/46/674019946.db2.gz BYYFBTOUTAOFHL-GRYCIOLGSA-N 1 3 196.338 1.868 10 30 ADEEHO C#CCCN1CC[C@@H]2[C@H]1CCC[N@H+]2C 720350976 674067517 /nfs/dbraw/zinc/06/75/17/674067517.db2.gz JLQLTMZPQGOQMV-VXGBXAGGSA-N 1 3 192.306 1.178 10 30 ADEEHO C#CCCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C 720350976 674067522 /nfs/dbraw/zinc/06/75/22/674067522.db2.gz JLQLTMZPQGOQMV-VXGBXAGGSA-N 1 3 192.306 1.178 10 30 ADEEHO C#CCCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C 720350959 674067756 /nfs/dbraw/zinc/06/77/56/674067756.db2.gz JLQLTMZPQGOQMV-NEPJUHHUSA-N 1 3 192.306 1.178 10 30 ADEEHO C#CCCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C 720350959 674067758 /nfs/dbraw/zinc/06/77/58/674067758.db2.gz JLQLTMZPQGOQMV-NEPJUHHUSA-N 1 3 192.306 1.178 10 30 ADEEHO C#CCCN1CC[C@H]2[C@H]1CCC[N@H+]2C 720350969 674067785 /nfs/dbraw/zinc/06/77/85/674067785.db2.gz JLQLTMZPQGOQMV-NWDGAFQWSA-N 1 3 192.306 1.178 10 30 ADEEHO C#CCCN1CC[C@H]2[C@H]1CCC[N@@H+]2C 720350969 674067787 /nfs/dbraw/zinc/06/77/87/674067787.db2.gz JLQLTMZPQGOQMV-NWDGAFQWSA-N 1 3 192.306 1.178 10 30 ADEEHO C#CCCCCN[C@H]1CCC[NH2+]C1 229644639 1169391968 /nfs/dbraw/zinc/39/19/68/1169391968.db2.gz SKRHDXWQIBUQKT-NSHDSACASA-N 1 3 180.295 1.132 10 30 ADEEHO C#CCCCC[NH2+]C1CCNCC1 229643969 1169392638 /nfs/dbraw/zinc/39/26/38/1169392638.db2.gz VTBIFXRKYMBNDV-UHFFFAOYSA-N 1 3 180.295 1.132 10 30 ADEEHO C#CCCCCN[C@@H]1CCC[NH2+]C1 229644627 1169392762 /nfs/dbraw/zinc/39/27/62/1169392762.db2.gz SKRHDXWQIBUQKT-LLVKDONJSA-N 1 3 180.295 1.132 10 30 ADEEHO C=CCCCN1CC[C@@H]([NH3+])[C@H]1C 379317901 1169569166 /nfs/dbraw/zinc/56/91/66/1169569166.db2.gz IGRFZSKAJSZAQP-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C#CCCCN[C@H]1CC[C@@H](C)[NH2+]C1 399068790 1169670056 /nfs/dbraw/zinc/67/00/56/1169670056.db2.gz CRPSFUJQBYPOFV-MNOVXSKESA-N 1 3 180.295 1.130 10 30 ADEEHO C=CCCCN[C@@H]1CC[C@H](C)[NH2+]C1 399132370 1169670568 /nfs/dbraw/zinc/67/05/68/1169670568.db2.gz YBMOTRYJOUQFAV-WDEREUQCSA-N 1 3 182.311 1.683 10 30 ADEEHO C=CCCCN[C@H]1CC[C@@H](C)[NH2+]C1 399132368 1169670587 /nfs/dbraw/zinc/67/05/87/1169670587.db2.gz YBMOTRYJOUQFAV-MNOVXSKESA-N 1 3 182.311 1.683 10 30 ADEEHO C#CCCCN[C@H]1CC[C@H](C)[NH2+]C1 399068791 1169670707 /nfs/dbraw/zinc/67/07/07/1169670707.db2.gz CRPSFUJQBYPOFV-QWRGUYRKSA-N 1 3 180.295 1.130 10 30 ADEEHO C#CCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 399068469 1169670828 /nfs/dbraw/zinc/67/08/28/1169670828.db2.gz CRPSFUJQBYPOFV-GHMZBOCLSA-N 1 3 180.295 1.130 10 30 ADEEHO C#CCCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 399234558 1169670908 /nfs/dbraw/zinc/67/09/08/1169670908.db2.gz QQMKVMBUNIBUOX-VXGBXAGGSA-N 1 3 194.322 1.520 10 30 ADEEHO C#CCCCCN[C@@H]1CC[C@H](C)[NH2+]C1 399234556 1169671130 /nfs/dbraw/zinc/67/11/30/1169671130.db2.gz QQMKVMBUNIBUOX-NWDGAFQWSA-N 1 3 194.322 1.520 10 30 ADEEHO C=CCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 399132367 1169671372 /nfs/dbraw/zinc/67/13/72/1169671372.db2.gz YBMOTRYJOUQFAV-GHMZBOCLSA-N 1 3 182.311 1.683 10 30 ADEEHO C#CCCCN[C@@H]1CC[C@H](C)[NH2+]C1 399068794 1169671932 /nfs/dbraw/zinc/67/19/32/1169671932.db2.gz CRPSFUJQBYPOFV-WDEREUQCSA-N 1 3 180.295 1.130 10 30 ADEEHO C#CCCCCN[C@H]1CC[C@@H](C)[NH2+]C1 399234555 1169671987 /nfs/dbraw/zinc/67/19/87/1169671987.db2.gz QQMKVMBUNIBUOX-NEPJUHHUSA-N 1 3 194.322 1.520 10 30 ADEEHO C=CCCCN[C@H]1CC[C@H](C)[NH2+]C1 399132369 1169672095 /nfs/dbraw/zinc/67/20/95/1169672095.db2.gz YBMOTRYJOUQFAV-QWRGUYRKSA-N 1 3 182.311 1.683 10 30 ADEEHO C#CCCCCN[C@H]1CC[C@H](C)[NH2+]C1 399234557 1169672337 /nfs/dbraw/zinc/67/23/37/1169672337.db2.gz QQMKVMBUNIBUOX-RYUDHWBXSA-N 1 3 194.322 1.520 10 30 ADEEHO C#CCCC[NH2+][C@@H]1CCN[C@@H](C)C1 709373773 1169723790 /nfs/dbraw/zinc/72/37/90/1169723790.db2.gz INAZUSJGWLOLCT-WDEREUQCSA-N 1 3 180.295 1.130 10 30 ADEEHO C#CCCC[NH2+][C@@H]1CCN[C@H](C)C1 709373763 1169724215 /nfs/dbraw/zinc/72/42/15/1169724215.db2.gz INAZUSJGWLOLCT-GHMZBOCLSA-N 1 3 180.295 1.130 10 30 ADEEHO C=C(C)CN[C@@H]1CC[NH2+][C@H](C)C1 709378696 1169724680 /nfs/dbraw/zinc/72/46/80/1169724680.db2.gz YIIGHAHEZBCGRO-NXEZZACHSA-N 1 3 168.284 1.293 10 30 ADEEHO C=C(C)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709314390 1169724781 /nfs/dbraw/zinc/72/47/81/1169724781.db2.gz FAIXOYPXOSFTEA-ZACCUICWSA-N 1 3 180.295 1.435 10 30 ADEEHO C=C(C)CN[C@@H]1CC[NH2+][C@@H](C)C1 709378714 1169725429 /nfs/dbraw/zinc/72/54/29/1169725429.db2.gz YIIGHAHEZBCGRO-VHSXEESVSA-N 1 3 168.284 1.293 10 30 ADEEHO C=C(C)CN[C@H]1CC[NH2+][C@@H](C)C1 709378704 1169725492 /nfs/dbraw/zinc/72/54/92/1169725492.db2.gz YIIGHAHEZBCGRO-UWVGGRQHSA-N 1 3 168.284 1.293 10 30 ADEEHO C#CCCC[NH2+][C@H]1CCN[C@H](C)C1 709373765 1169725504 /nfs/dbraw/zinc/72/55/04/1169725504.db2.gz INAZUSJGWLOLCT-MNOVXSKESA-N 1 3 180.295 1.130 10 30 ADEEHO C#CCCC[NH2+][C@H]1CCN[C@@H](C)C1 709373768 1169726028 /nfs/dbraw/zinc/72/60/28/1169726028.db2.gz INAZUSJGWLOLCT-QWRGUYRKSA-N 1 3 180.295 1.130 10 30 ADEEHO C=C(C)CN[C@H]1CC[NH2+][C@H](C)C1 709378720 1169727298 /nfs/dbraw/zinc/72/72/98/1169727298.db2.gz YIIGHAHEZBCGRO-ZJUUUORDSA-N 1 3 168.284 1.293 10 30 ADEEHO C#CC[N@@H+](C)[C@H]1CCCN(C)CC1 1254525697 1169886503 /nfs/dbraw/zinc/88/65/03/1169886503.db2.gz KYSHMBBTJOFXHF-NSHDSACASA-N 1 3 180.295 1.036 10 30 ADEEHO C#CC[N@H+](C)[C@H]1CCCN(C)CC1 1254525697 1169886513 /nfs/dbraw/zinc/88/65/13/1169886513.db2.gz KYSHMBBTJOFXHF-NSHDSACASA-N 1 3 180.295 1.036 10 30 ADEEHO C#CC[N@@H+](C)[C@@H]1CCCN(C)CC1 1254525695 1169887094 /nfs/dbraw/zinc/88/70/94/1169887094.db2.gz KYSHMBBTJOFXHF-LLVKDONJSA-N 1 3 180.295 1.036 10 30 ADEEHO C#CC[N@H+](C)[C@@H]1CCCN(C)CC1 1254525695 1169887101 /nfs/dbraw/zinc/88/71/01/1169887101.db2.gz KYSHMBBTJOFXHF-LLVKDONJSA-N 1 3 180.295 1.036 10 30 ADEEHO C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN 1258720862 1170088569 /nfs/dbraw/zinc/08/85/69/1170088569.db2.gz HXIZMCFQFOBHTN-WDEREUQCSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)CN 1258720862 1170088574 /nfs/dbraw/zinc/08/85/74/1170088574.db2.gz HXIZMCFQFOBHTN-WDEREUQCSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[C@H](C)[N@@H+](C)C[C@H](C)CN 1258720860 1170089598 /nfs/dbraw/zinc/08/95/98/1170089598.db2.gz HXIZMCFQFOBHTN-MNOVXSKESA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[C@H](C)[N@H+](C)C[C@H](C)CN 1258720860 1170089603 /nfs/dbraw/zinc/08/96/03/1170089603.db2.gz HXIZMCFQFOBHTN-MNOVXSKESA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)CN 1258720859 1170089794 /nfs/dbraw/zinc/08/97/94/1170089794.db2.gz HXIZMCFQFOBHTN-GHMZBOCLSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)CN 1258720859 1170089799 /nfs/dbraw/zinc/08/97/99/1170089799.db2.gz HXIZMCFQFOBHTN-GHMZBOCLSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)CN 1258720861 1170091476 /nfs/dbraw/zinc/09/14/76/1170091476.db2.gz HXIZMCFQFOBHTN-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)CN 1258720861 1170091483 /nfs/dbraw/zinc/09/14/83/1170091483.db2.gz HXIZMCFQFOBHTN-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[NH2+]C[C@H](C)CN1CCCC1 70592374 571673498 /nfs/dbraw/zinc/67/34/98/571673498.db2.gz BSBXKJFUKGNPHC-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCC[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 70593233 571673783 /nfs/dbraw/zinc/67/37/83/571673783.db2.gz KAPFKANQYWUAME-YOGCLGLASA-N 1 3 194.322 1.907 10 30 ADEEHO C=CCCC[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 70593233 571673788 /nfs/dbraw/zinc/67/37/88/571673788.db2.gz KAPFKANQYWUAME-YOGCLGLASA-N 1 3 194.322 1.907 10 30 ADEEHO C=CCC[N@H+]1C[C@H](CN)CC[C@@H]1C 70593388 571674376 /nfs/dbraw/zinc/67/43/76/571674376.db2.gz HOKBBFZQKDHEKD-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@@H+]1C[C@H](CN)CC[C@@H]1C 70593388 571674379 /nfs/dbraw/zinc/67/43/79/571674379.db2.gz HOKBBFZQKDHEKD-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@H+]1C[C@@H](CN)CC[C@H]1C 70593385 571674558 /nfs/dbraw/zinc/67/45/58/571674558.db2.gz HOKBBFZQKDHEKD-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@@H+]1C[C@@H](CN)CC[C@H]1C 70593385 571674561 /nfs/dbraw/zinc/67/45/61/571674561.db2.gz HOKBBFZQKDHEKD-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[NH2+]C[C@@H]1CCN(C(C)C)C1 70592175 571674610 /nfs/dbraw/zinc/67/46/10/571674610.db2.gz HOVXMFMCOFQODZ-LBPRGKRZSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCC[N@H+]1CCC[C@H](CN)C1 70593243 571675160 /nfs/dbraw/zinc/67/51/60/571675160.db2.gz ARWWUMFGXFJEAK-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCC[NH2+]C[C@@H](C)CN1CCCC1 70592375 571674896 /nfs/dbraw/zinc/67/48/96/571674896.db2.gz BSBXKJFUKGNPHC-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCC[N@@H+]1CCC[C@H](CN)C1 70593243 571675163 /nfs/dbraw/zinc/67/51/63/571675163.db2.gz ARWWUMFGXFJEAK-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCCN1CCC[C@H](C[NH3+])C1 70593243 571675166 /nfs/dbraw/zinc/67/51/66/571675166.db2.gz ARWWUMFGXFJEAK-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCC[N@H+]1CCC[C@@H](CN)C1 70593244 571675226 /nfs/dbraw/zinc/67/52/26/571675226.db2.gz ARWWUMFGXFJEAK-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCC[N@@H+]1CCC[C@@H](CN)C1 70593244 571675229 /nfs/dbraw/zinc/67/52/29/571675229.db2.gz ARWWUMFGXFJEAK-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCCN1CCC[C@@H](C[NH3+])C1 70593244 571675232 /nfs/dbraw/zinc/67/52/32/571675232.db2.gz ARWWUMFGXFJEAK-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCC[N@H+]1C[C@@H](CN)CC[C@@H]1C 70593386 571675332 /nfs/dbraw/zinc/67/53/32/571675332.db2.gz HOKBBFZQKDHEKD-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 70593386 571675336 /nfs/dbraw/zinc/67/53/36/571675336.db2.gz HOKBBFZQKDHEKD-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[NH2+]CCCN1CCCC1 70592378 571675463 /nfs/dbraw/zinc/67/54/63/571675463.db2.gz AQHJBBPWJDBQPI-UHFFFAOYSA-N 1 3 182.311 1.638 10 30 ADEEHO C=CCC[N@H+]1C[C@H](CN)CC[C@H]1C 70593387 571675573 /nfs/dbraw/zinc/67/55/73/571675573.db2.gz HOKBBFZQKDHEKD-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@@H+]1C[C@H](CN)CC[C@H]1C 70593387 571675576 /nfs/dbraw/zinc/67/55/76/571675576.db2.gz HOKBBFZQKDHEKD-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[NH2+]C[C@H]1CCN(C(C)C)C1 70592174 571675629 /nfs/dbraw/zinc/67/56/29/571675629.db2.gz HOVXMFMCOFQODZ-GFCCVEGCSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCC[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 70593234 571675670 /nfs/dbraw/zinc/67/56/70/571675670.db2.gz XLUVPKOWUCIDMN-FGWVZKOKSA-N 1 3 180.295 1.517 10 30 ADEEHO C=CCC[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 70593234 571675672 /nfs/dbraw/zinc/67/56/72/571675672.db2.gz XLUVPKOWUCIDMN-FGWVZKOKSA-N 1 3 180.295 1.517 10 30 ADEEHO C=CCCN1CCC[C@H](C[NH2+]CC)C1 70595717 571678748 /nfs/dbraw/zinc/67/87/48/571678748.db2.gz OZWRCWNCNHIBRO-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCN1CCC[C@@H](C[NH2+]CC)C1 70595716 571679603 /nfs/dbraw/zinc/67/96/03/571679603.db2.gz OZWRCWNCNHIBRO-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO CCCCCCC[C@@H](N)C[NH3+] 102235199 571700281 /nfs/dbraw/zinc/70/02/81/571700281.db2.gz NFWOGXPJHBHLPH-SECBINFHSA-N 1 3 158.289 1.633 10 30 ADEEHO CCCCCCC[C@H](N)C[NH3+] 102235193 571701675 /nfs/dbraw/zinc/70/16/75/571701675.db2.gz NFWOGXPJHBHLPH-VIFPVBQESA-N 1 3 158.289 1.633 10 30 ADEEHO C=CC[C@H](C)NCC(C)(C)[NH2+]C 393334944 571711979 /nfs/dbraw/zinc/71/19/79/571711979.db2.gz AFULYKHNCFWBPY-VIFPVBQESA-N 1 3 170.300 1.539 10 30 ADEEHO C=CC[C@@H](C)NCC(C)(C)[NH2+]C 393334943 571713201 /nfs/dbraw/zinc/71/32/01/571713201.db2.gz AFULYKHNCFWBPY-SECBINFHSA-N 1 3 170.300 1.539 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CC(C)(C)C[C@H]1C 235262291 571713607 /nfs/dbraw/zinc/71/36/07/571713607.db2.gz IOBBESDCNUEYSP-PWSUYJOCSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CC[C@@H]([NH3+])CNC1(C2(C)CC2)CC1 398209960 571745578 /nfs/dbraw/zinc/74/55/78/571745578.db2.gz HYGWYHMVFZNNAZ-SNVBAGLBSA-N 1 3 194.322 1.812 10 30 ADEEHO C#C[C@H](C(C)C)N1CC[C@H]([NH3+])[C@@H](C)C1 300737360 571748695 /nfs/dbraw/zinc/74/86/95/571748695.db2.gz AHWJJCIWNAXGPX-SDDRHHMPSA-N 1 3 194.322 1.313 10 30 ADEEHO C[NH2+]C[C@@H]1CCN(CCCCC#N)C1 70799531 571755112 /nfs/dbraw/zinc/75/51/12/571755112.db2.gz QBZDKHFXTJEZSE-NSHDSACASA-N 1 3 195.310 1.222 10 30 ADEEHO CN1CC[C@@H](C[N@H+](C)CCCC#N)C1 70822037 571759392 /nfs/dbraw/zinc/75/93/92/571759392.db2.gz IFAOVYRLAORZIN-NSHDSACASA-N 1 3 195.310 1.174 10 30 ADEEHO CN1CC[C@@H](C[N@@H+](C)CCCC#N)C1 70822037 571759396 /nfs/dbraw/zinc/75/93/96/571759396.db2.gz IFAOVYRLAORZIN-NSHDSACASA-N 1 3 195.310 1.174 10 30 ADEEHO CN1CC[C@H](C[N@H+](C)CCCC#N)C1 70822034 571759479 /nfs/dbraw/zinc/75/94/79/571759479.db2.gz IFAOVYRLAORZIN-LLVKDONJSA-N 1 3 195.310 1.174 10 30 ADEEHO CN1CC[C@H](C[N@@H+](C)CCCC#N)C1 70822034 571759483 /nfs/dbraw/zinc/75/94/83/571759483.db2.gz IFAOVYRLAORZIN-LLVKDONJSA-N 1 3 195.310 1.174 10 30 ADEEHO C#C[C@@H](NC[C@@H](C[NH3+])C(C)C)C(C)C 301003648 571761807 /nfs/dbraw/zinc/76/18/07/571761807.db2.gz XMYCUWWGSIARKR-VXGBXAGGSA-N 1 3 196.338 1.465 10 30 ADEEHO C#C[C@H](NC[C@H](C[NH3+])C(C)C)C(C)C 301003647 571763079 /nfs/dbraw/zinc/76/30/79/571763079.db2.gz XMYCUWWGSIARKR-RYUDHWBXSA-N 1 3 196.338 1.465 10 30 ADEEHO C#C[C@@H](NC[C@H](C[NH3+])C(C)C)C(C)C 301003646 571763111 /nfs/dbraw/zinc/76/31/11/571763111.db2.gz XMYCUWWGSIARKR-NWDGAFQWSA-N 1 3 196.338 1.465 10 30 ADEEHO C#C[C@H](NC[C@@H](C[NH3+])C(C)C)C(C)C 301003645 571763237 /nfs/dbraw/zinc/76/32/37/571763237.db2.gz XMYCUWWGSIARKR-NEPJUHHUSA-N 1 3 196.338 1.465 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CC(C)(C)C[C@H]1C 235334626 571775870 /nfs/dbraw/zinc/77/58/70/571775870.db2.gz IOBBESDCNUEYSP-ZYHUDNBSSA-N 1 3 196.338 1.916 10 30 ADEEHO C=C(C)CN(C)CCC(C)(C)[NH3+] 219308801 571792945 /nfs/dbraw/zinc/79/29/45/571792945.db2.gz DVLFXAAIVICGPL-UHFFFAOYSA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)CN(C)C[C@H](C[NH3+])CCC 219310227 571794292 /nfs/dbraw/zinc/79/42/92/571794292.db2.gz WPQVBJDVGBPOEG-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=CCCCCCC[NH2+]CC1CNC1 710863436 571795360 /nfs/dbraw/zinc/79/53/60/571795360.db2.gz XLTUOVSEHJKDGF-UHFFFAOYSA-N 1 3 196.338 1.932 10 30 ADEEHO C=C(C)CN(C)CC[C@@H](C)[NH3+] 219312252 571796433 /nfs/dbraw/zinc/79/64/33/571796433.db2.gz RUUMUNWYTXAVPT-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=C(C[NH2+]C)CN1CC[C@H](C2CC2)C1 400018481 571812544 /nfs/dbraw/zinc/81/25/44/571812544.db2.gz AVJKMGYSFVBTIO-LBPRGKRZSA-N 1 3 194.322 1.494 10 30 ADEEHO C=C(C[NH2+]C)CN1CC[C@@H](C2CC2)C1 400018476 571813355 /nfs/dbraw/zinc/81/33/55/571813355.db2.gz AVJKMGYSFVBTIO-GFCCVEGCSA-N 1 3 194.322 1.494 10 30 ADEEHO CCCCCCC[NH2+]CC1CNC1 710951540 571830052 /nfs/dbraw/zinc/83/00/52/571830052.db2.gz LLFPOJANIYNCGS-UHFFFAOYSA-N 1 3 184.327 1.766 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCC[C@@H]1CC 229688187 571863393 /nfs/dbraw/zinc/86/33/93/571863393.db2.gz KBYBHMAFUWTHSI-WDEREUQCSA-N 1 3 182.311 1.670 10 30 ADEEHO C=C(CN)C[N@@H+](C)CCCSC 300739890 571870735 /nfs/dbraw/zinc/87/07/35/571870735.db2.gz AASFJNQRWBGQPQ-UHFFFAOYSA-N 1 3 188.340 1.186 10 30 ADEEHO C=C(CN)C[N@H+](C)CCCSC 300739890 571870736 /nfs/dbraw/zinc/87/07/36/571870736.db2.gz AASFJNQRWBGQPQ-UHFFFAOYSA-N 1 3 188.340 1.186 10 30 ADEEHO CNCC[N+](=O)C1CCCCC1 687727622 571892506 /nfs/dbraw/zinc/89/25/06/571892506.db2.gz FOQIAVXZUGWQDW-DHZHZOJOSA-N 1 3 170.256 1.120 10 30 ADEEHO C=CCN[C@]1(C[NH3+])C[C@H]2CC[C@H](C2)C1 711089227 571892595 /nfs/dbraw/zinc/89/25/95/571892595.db2.gz GEXGWJPDDXSRTR-GDNZZTSVSA-N 1 3 194.322 1.670 10 30 ADEEHO CNCC[N+](=O)C1CCCCC1 687727623 571892956 /nfs/dbraw/zinc/89/29/56/571892956.db2.gz FOQIAVXZUGWQDW-FLIBITNWSA-N 1 3 170.256 1.120 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])C[C@H]2CC[C@H](C2)C1 711089229 571893958 /nfs/dbraw/zinc/89/39/58/571893958.db2.gz GEXGWJPDDXSRTR-ZSBIGDGJSA-N 1 3 194.322 1.670 10 30 ADEEHO C=CC[C@@H](C)NC[C@H]1CCCC[NH2+]1 235420984 571899559 /nfs/dbraw/zinc/89/95/59/571899559.db2.gz KPUMHWNGEROIJA-GHMZBOCLSA-N 1 3 182.311 1.683 10 30 ADEEHO C=C[C@@H](C)N(CC)C[C@H]1CCC[NH2+]C1 300062914 571898135 /nfs/dbraw/zinc/89/81/35/571898135.db2.gz PAZCTKJPZBKZIV-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C[C@@H](C)[N@H+](CC)C[C@H]1CCCNC1 300062914 571898140 /nfs/dbraw/zinc/89/81/40/571898140.db2.gz PAZCTKJPZBKZIV-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C[C@@H](C)[N@@H+](CC)C[C@H]1CCCNC1 300062914 571898144 /nfs/dbraw/zinc/89/81/44/571898144.db2.gz PAZCTKJPZBKZIV-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C[C@H](C)N(CC)C[C@H]1CCC[NH2+]C1 300062915 571898251 /nfs/dbraw/zinc/89/82/51/571898251.db2.gz PAZCTKJPZBKZIV-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C[C@H](C)[N@H+](CC)C[C@H]1CCCNC1 300062915 571898254 /nfs/dbraw/zinc/89/82/54/571898254.db2.gz PAZCTKJPZBKZIV-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C[C@H](C)[N@@H+](CC)C[C@H]1CCCNC1 300062915 571898257 /nfs/dbraw/zinc/89/82/57/571898257.db2.gz PAZCTKJPZBKZIV-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@@H](C)NC[C@@H]1CCCC[NH2+]1 235420343 571901642 /nfs/dbraw/zinc/90/16/42/571901642.db2.gz KPUMHWNGEROIJA-MNOVXSKESA-N 1 3 182.311 1.683 10 30 ADEEHO C=C[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 235449777 571911165 /nfs/dbraw/zinc/91/11/65/571911165.db2.gz PDWUGHHWQCNWTH-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 235449777 571911167 /nfs/dbraw/zinc/91/11/67/571911167.db2.gz PDWUGHHWQCNWTH-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO CC#CCCN[C@H](C[NH3+])CCC 125654874 571913919 /nfs/dbraw/zinc/91/39/19/571913919.db2.gz GXNMQCWZZIVAHO-JTQLQIEISA-N 1 3 168.284 1.117 10 30 ADEEHO C=C[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 235471409 571914964 /nfs/dbraw/zinc/91/49/64/571914964.db2.gz PDWUGHHWQCNWTH-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 235471409 571914967 /nfs/dbraw/zinc/91/49/67/571914967.db2.gz PDWUGHHWQCNWTH-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC[C@@H](OC)C1 234754853 571935994 /nfs/dbraw/zinc/93/59/94/571935994.db2.gz VIJOYJIQHUJGMC-GHMZBOCLSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 235500851 571937260 /nfs/dbraw/zinc/93/72/60/571937260.db2.gz PSXXUSZNJXDKDY-WDEREUQCSA-N 1 3 194.322 1.635 10 30 ADEEHO C=C[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 235500851 571937264 /nfs/dbraw/zinc/93/72/64/571937264.db2.gz PSXXUSZNJXDKDY-WDEREUQCSA-N 1 3 194.322 1.635 10 30 ADEEHO C=CCC[N@@H+]1CCC[C@H]1CNC1CC1 711284343 571938038 /nfs/dbraw/zinc/93/80/38/571938038.db2.gz IEXWSHCYMBOSSS-LBPRGKRZSA-N 1 3 194.322 1.779 10 30 ADEEHO C=CCC[N@H+]1CCC[C@H]1CNC1CC1 711284343 571938040 /nfs/dbraw/zinc/93/80/40/571938040.db2.gz IEXWSHCYMBOSSS-LBPRGKRZSA-N 1 3 194.322 1.779 10 30 ADEEHO C=C[C@H](C)NC[C@@H]1CC[N@H+](C)C1 235502939 571939893 /nfs/dbraw/zinc/93/98/93/571939893.db2.gz XTZYYKWALSYSFU-UWVGGRQHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@H](C)NC[C@@H]1CC[N@@H+](C)C1 235502939 571939896 /nfs/dbraw/zinc/93/98/96/571939896.db2.gz XTZYYKWALSYSFU-UWVGGRQHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCC[C@H](OC)C1 234768906 571940670 /nfs/dbraw/zinc/94/06/70/571940670.db2.gz VIJOYJIQHUJGMC-QWRGUYRKSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C[C@H](C)NCC(C)(C)C[NH+](C)C 235510087 571941506 /nfs/dbraw/zinc/94/15/06/571941506.db2.gz NVWBHPMRQCMOQX-JTQLQIEISA-N 1 3 184.327 1.738 10 30 ADEEHO C=C[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 235516078 571943435 /nfs/dbraw/zinc/94/34/35/571943435.db2.gz PSXXUSZNJXDKDY-QWRGUYRKSA-N 1 3 194.322 1.635 10 30 ADEEHO C=C[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 235516078 571943438 /nfs/dbraw/zinc/94/34/38/571943438.db2.gz PSXXUSZNJXDKDY-QWRGUYRKSA-N 1 3 194.322 1.635 10 30 ADEEHO C#C[C@H](CC)[NH2+][C@H]1CCNCC1(C)C 300816352 571945605 /nfs/dbraw/zinc/94/56/05/571945605.db2.gz IBBKFDHPSWRZIP-MNOVXSKESA-N 1 3 194.322 1.376 10 30 ADEEHO C=C[C@@H](C)N[C@H]1CC[NH2+]CC1(C)C 300806221 571945823 /nfs/dbraw/zinc/94/58/23/571945823.db2.gz GIQVLZIJAKAIQR-ZJUUUORDSA-N 1 3 182.311 1.539 10 30 ADEEHO C=C[C@@H](C)[NH2+][C@H]1CCNCC1(C)C 300806221 571945826 /nfs/dbraw/zinc/94/58/26/571945826.db2.gz GIQVLZIJAKAIQR-ZJUUUORDSA-N 1 3 182.311 1.539 10 30 ADEEHO C#C[C@H](N[C@@H]1CC[C@H]([NH3+])C1)C(C)C 300866923 571947320 /nfs/dbraw/zinc/94/73/20/571947320.db2.gz HDWFSVSKYUFJKV-AXFHLTTASA-N 1 3 180.295 1.114 10 30 ADEEHO C#C[C@H](N[C@H]1CC[C@H]([NH3+])C1)C(C)C 300866924 571949577 /nfs/dbraw/zinc/94/95/77/571949577.db2.gz HDWFSVSKYUFJKV-DCAQKATOSA-N 1 3 180.295 1.114 10 30 ADEEHO CN(C)CCC[NH2+]CC#CC(C)(C)C 300811136 571950103 /nfs/dbraw/zinc/95/01/03/571950103.db2.gz XJHNBNIWQVCVFL-UHFFFAOYSA-N 1 3 196.338 1.577 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[NH2+]CC1(C)C 300806218 571951381 /nfs/dbraw/zinc/95/13/81/571951381.db2.gz GIQVLZIJAKAIQR-UWVGGRQHSA-N 1 3 182.311 1.539 10 30 ADEEHO C=C[C@H](C)[NH2+][C@H]1CCNCC1(C)C 300806218 571951385 /nfs/dbraw/zinc/95/13/85/571951385.db2.gz GIQVLZIJAKAIQR-UWVGGRQHSA-N 1 3 182.311 1.539 10 30 ADEEHO CC#CCC[NH2+][C@@H]1CCNCC1(C)C 300880548 571954986 /nfs/dbraw/zinc/95/49/86/571954986.db2.gz SFVJCNWALKVUFA-LLVKDONJSA-N 1 3 194.322 1.378 10 30 ADEEHO CC#CCCN[C@@H]1CC[NH2+]CC1(C)C 300880548 571954988 /nfs/dbraw/zinc/95/49/88/571954988.db2.gz SFVJCNWALKVUFA-LLVKDONJSA-N 1 3 194.322 1.378 10 30 ADEEHO C#C[C@H](N[C@H]1CC[C@@H]([NH3+])C1)C(C)C 300866926 571955317 /nfs/dbraw/zinc/95/53/17/571955317.db2.gz HDWFSVSKYUFJKV-VWYCJHECSA-N 1 3 180.295 1.114 10 30 ADEEHO C=C(C)CN[C@H]1CC[NH2+]CC1(C)C 300811009 571958675 /nfs/dbraw/zinc/95/86/75/571958675.db2.gz HCUWIWSLNNPVJH-JTQLQIEISA-N 1 3 182.311 1.540 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC[C@H](OC)C1 234786963 571956582 /nfs/dbraw/zinc/95/65/82/571956582.db2.gz VIJOYJIQHUJGMC-WDEREUQCSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(C)C[NH2+][C@H]1CCNCC1(C)C 300811009 571958677 /nfs/dbraw/zinc/95/86/77/571958677.db2.gz HCUWIWSLNNPVJH-JTQLQIEISA-N 1 3 182.311 1.540 10 30 ADEEHO C#C[C@@H](CC)[NH2+][C@@H]1CCNCC1(C)C 300816355 571959091 /nfs/dbraw/zinc/95/90/91/571959091.db2.gz IBBKFDHPSWRZIP-WDEREUQCSA-N 1 3 194.322 1.376 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCC[C@@H](OC)C1 234799411 571962936 /nfs/dbraw/zinc/96/29/36/571962936.db2.gz VIJOYJIQHUJGMC-MNOVXSKESA-N 1 3 198.310 1.049 10 30 ADEEHO C[N@H+](CC#CCN)C1CCCCC1 196433569 571982318 /nfs/dbraw/zinc/98/23/18/571982318.db2.gz JYEWDIUMBLIMHC-UHFFFAOYSA-N 1 3 180.295 1.213 10 30 ADEEHO C[N@@H+](CC#CCN)C1CCCCC1 196433569 571982319 /nfs/dbraw/zinc/98/23/19/571982319.db2.gz JYEWDIUMBLIMHC-UHFFFAOYSA-N 1 3 180.295 1.213 10 30 ADEEHO C#CCCC[NH2+][C@H]1CCNCC1(C)C 300845186 571983070 /nfs/dbraw/zinc/98/30/70/571983070.db2.gz MWNGTTORLYKAHC-NSHDSACASA-N 1 3 194.322 1.378 10 30 ADEEHO C#CCCC[NH2+][C@@H]1CCNCC1(C)C 300845184 571984674 /nfs/dbraw/zinc/98/46/74/571984674.db2.gz MWNGTTORLYKAHC-LLVKDONJSA-N 1 3 194.322 1.378 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@H](C)CC(C)C 300848766 571984792 /nfs/dbraw/zinc/98/47/92/571984792.db2.gz FAJNUHOUEDDHAW-GHMZBOCLSA-N 1 3 184.327 1.772 10 30 ADEEHO C=CCN[C@@H](C[NH3+])[C@@H](C)CC(C)C 300848772 571985327 /nfs/dbraw/zinc/98/53/27/571985327.db2.gz FAJNUHOUEDDHAW-QWRGUYRKSA-N 1 3 184.327 1.772 10 30 ADEEHO C=CCN[C@@H](C[NH3+])[C@H](C)CC(C)C 300848769 571985458 /nfs/dbraw/zinc/98/54/58/571985458.db2.gz FAJNUHOUEDDHAW-MNOVXSKESA-N 1 3 184.327 1.772 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@@H](C)CC(C)C 300848774 571985504 /nfs/dbraw/zinc/98/55/04/571985504.db2.gz FAJNUHOUEDDHAW-WDEREUQCSA-N 1 3 184.327 1.772 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CC(C)(C)C[C@@H]1C 235557446 571989961 /nfs/dbraw/zinc/98/99/61/571989961.db2.gz IOBBESDCNUEYSP-JQWIXIFHSA-N 1 3 196.338 1.916 10 30 ADEEHO C#CC[NH2+]C1CCN(CCCC)CC1 68990714 572012909 /nfs/dbraw/zinc/01/29/09/572012909.db2.gz QWZULFMIIWJQDA-UHFFFAOYSA-N 1 3 194.322 1.474 10 30 ADEEHO C=CC[C@@H](C)[NH2+][C@@H]1CCNCC1(C)C 300890519 572027770 /nfs/dbraw/zinc/02/77/70/572027770.db2.gz ULVWQOFIPBESHN-GHMZBOCLSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@@H]1CCNCC1(C)C 300890523 572028548 /nfs/dbraw/zinc/02/85/48/572028548.db2.gz ULVWQOFIPBESHN-WDEREUQCSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@H]1CCNCC1(C)C 300890522 572028635 /nfs/dbraw/zinc/02/86/35/572028635.db2.gz ULVWQOFIPBESHN-QWRGUYRKSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@@H](C)[NH2+][C@H]1CCNCC1(C)C 300890521 572028920 /nfs/dbraw/zinc/02/89/20/572028920.db2.gz ULVWQOFIPBESHN-MNOVXSKESA-N 1 3 196.338 1.929 10 30 ADEEHO C#CCCNC[C@@H](C)C[NH+]1CCCC1 82497100 572033285 /nfs/dbraw/zinc/03/32/85/572033285.db2.gz IWPADARJAYPGOF-GFCCVEGCSA-N 1 3 194.322 1.331 10 30 ADEEHO C#CCC[NH2+]C[C@@H](C)CN1CCCC1 82497100 572033288 /nfs/dbraw/zinc/03/32/88/572033288.db2.gz IWPADARJAYPGOF-GFCCVEGCSA-N 1 3 194.322 1.331 10 30 ADEEHO C#CCC[NH2+]C[C@H]1CCN(C(C)C)C1 82497034 572033381 /nfs/dbraw/zinc/03/33/81/572033381.db2.gz LICAZNQOVAZDCD-GFCCVEGCSA-N 1 3 194.322 1.330 10 30 ADEEHO C#CCCNC[C@H]1CC[N@@H+](C(C)C)C1 82497034 572033383 /nfs/dbraw/zinc/03/33/83/572033383.db2.gz LICAZNQOVAZDCD-GFCCVEGCSA-N 1 3 194.322 1.330 10 30 ADEEHO C#CCCNC[C@H]1CC[N@H+](C(C)C)C1 82497034 572033385 /nfs/dbraw/zinc/03/33/85/572033385.db2.gz LICAZNQOVAZDCD-GFCCVEGCSA-N 1 3 194.322 1.330 10 30 ADEEHO C#CCCNC[C@H](C)C[NH+]1CCCC1 82497099 572033394 /nfs/dbraw/zinc/03/33/94/572033394.db2.gz IWPADARJAYPGOF-LBPRGKRZSA-N 1 3 194.322 1.331 10 30 ADEEHO C#CCC[NH2+]C[C@H](C)CN1CCCC1 82497099 572033397 /nfs/dbraw/zinc/03/33/97/572033397.db2.gz IWPADARJAYPGOF-LBPRGKRZSA-N 1 3 194.322 1.331 10 30 ADEEHO C[C@@H]([NH3+])C1CCN(CCCC#N)CC1 82475003 572035183 /nfs/dbraw/zinc/03/51/83/572035183.db2.gz YWYYKSOZLRKYDE-SNVBAGLBSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]([NH3+])C1CCN(CCCC#N)CC1 82475002 572036297 /nfs/dbraw/zinc/03/62/97/572036297.db2.gz YWYYKSOZLRKYDE-JTQLQIEISA-N 1 3 195.310 1.349 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@H](OC)C[C@@H]1C 300905531 572036723 /nfs/dbraw/zinc/03/67/23/572036723.db2.gz OCKJUQMVPLZBCA-QWRGUYRKSA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@H](OC)C[C@@H]1C 300905531 572036728 /nfs/dbraw/zinc/03/67/28/572036728.db2.gz OCKJUQMVPLZBCA-QWRGUYRKSA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@H](OC)C[C@@H]1C 300905531 572036730 /nfs/dbraw/zinc/03/67/30/572036730.db2.gz OCKJUQMVPLZBCA-QWRGUYRKSA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@@H](OC)C[C@H]1C 300905528 572037089 /nfs/dbraw/zinc/03/70/89/572037089.db2.gz OCKJUQMVPLZBCA-GHMZBOCLSA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@@H](OC)C[C@H]1C 300905528 572037093 /nfs/dbraw/zinc/03/70/93/572037093.db2.gz OCKJUQMVPLZBCA-GHMZBOCLSA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@@H](OC)C[C@H]1C 300905528 572037096 /nfs/dbraw/zinc/03/70/96/572037096.db2.gz OCKJUQMVPLZBCA-GHMZBOCLSA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@@H](OC)C[C@@H]1C 300905532 572037670 /nfs/dbraw/zinc/03/76/70/572037670.db2.gz OCKJUQMVPLZBCA-WDEREUQCSA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@@H](OC)C[C@@H]1C 300905532 572037673 /nfs/dbraw/zinc/03/76/73/572037673.db2.gz OCKJUQMVPLZBCA-WDEREUQCSA-N 1 3 198.310 1.001 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C 300905532 572037675 /nfs/dbraw/zinc/03/76/75/572037675.db2.gz OCKJUQMVPLZBCA-WDEREUQCSA-N 1 3 198.310 1.001 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CC(C)(C)C[C@@H]1C 235601100 572042616 /nfs/dbraw/zinc/04/26/16/572042616.db2.gz IOBBESDCNUEYSP-CMPLNLGQSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CC[C@H](C)NC[C@H]1CCCC[NH2+]1 235070109 572048644 /nfs/dbraw/zinc/04/86/44/572048644.db2.gz KPUMHWNGEROIJA-WDEREUQCSA-N 1 3 182.311 1.683 10 30 ADEEHO C=C(C)CN(CC)C[C@H]1C[NH2+]C[C@@H]1C 82560335 572048921 /nfs/dbraw/zinc/04/89/21/572048921.db2.gz QVQKILYQESUSPX-NWDGAFQWSA-N 1 3 196.338 1.740 10 30 ADEEHO CN(CCCCC#N)CCC[NH+](C)C 82541517 572052122 /nfs/dbraw/zinc/05/21/22/572052122.db2.gz QAMSHJKBRWQCSX-UHFFFAOYSA-N 1 3 197.326 1.564 10 30 ADEEHO CN(CCCCC#N)C1CC[NH2+]CC1 36301334 572056841 /nfs/dbraw/zinc/05/68/41/572056841.db2.gz VHXZZLQNBDVJOV-UHFFFAOYSA-N 1 3 195.310 1.364 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@@H](N)CC 36872009 572071016 /nfs/dbraw/zinc/07/10/16/572071016.db2.gz PKWFTEFXPTXWGE-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@@H](N)CC 36872009 572071020 /nfs/dbraw/zinc/07/10/20/572071020.db2.gz PKWFTEFXPTXWGE-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@H](N)CC 36872010 572071751 /nfs/dbraw/zinc/07/17/51/572071751.db2.gz PKWFTEFXPTXWGE-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@H](N)CC 36872010 572071752 /nfs/dbraw/zinc/07/17/52/572071752.db2.gz PKWFTEFXPTXWGE-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C#CCN1CCC(C[NH2+]CCC)CC1 82645712 572078740 /nfs/dbraw/zinc/07/87/40/572078740.db2.gz OGIUPUORYWTBMK-UHFFFAOYSA-N 1 3 194.322 1.331 10 30 ADEEHO C#CCN1CCC(C[NH2+]C(C)C)CC1 82645735 572078872 /nfs/dbraw/zinc/07/88/72/572078872.db2.gz QKFFXKOCILFWHP-UHFFFAOYSA-N 1 3 194.322 1.330 10 30 ADEEHO C#CCN1CCC(C[NH2+]C2CC2)CC1 82645769 572079566 /nfs/dbraw/zinc/07/95/66/572079566.db2.gz WZXRGRALCCABHN-UHFFFAOYSA-N 1 3 192.306 1.084 10 30 ADEEHO CC#CCN1CCC(C[NH2+]CC)CC1 82645651 572079949 /nfs/dbraw/zinc/07/99/49/572079949.db2.gz FRDSXTLGLZIXLV-UHFFFAOYSA-N 1 3 194.322 1.331 10 30 ADEEHO C=C(CN)C[N@@H+]1C[C@@H]2CCCCC[C@H]21 687889927 572088877 /nfs/dbraw/zinc/08/88/77/572088877.db2.gz WDMKRFLGJLTCGP-NWDGAFQWSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@H+]1C[C@@H]2CCCCC[C@H]21 687889927 572088881 /nfs/dbraw/zinc/08/88/81/572088881.db2.gz WDMKRFLGJLTCGP-NWDGAFQWSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(C[NH3+])CN1C[C@@H]2CCCCC[C@H]21 687889927 572088885 /nfs/dbraw/zinc/08/88/85/572088885.db2.gz WDMKRFLGJLTCGP-NWDGAFQWSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 687889929 572090314 /nfs/dbraw/zinc/09/03/14/572090314.db2.gz WDMKRFLGJLTCGP-RYUDHWBXSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 687889929 572090317 /nfs/dbraw/zinc/09/03/17/572090317.db2.gz WDMKRFLGJLTCGP-RYUDHWBXSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(C[NH3+])CN1C[C@@H]2CCCCC[C@@H]21 687889929 572090321 /nfs/dbraw/zinc/09/03/21/572090321.db2.gz WDMKRFLGJLTCGP-RYUDHWBXSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@@H+]1C[C@H]2CCCCC[C@H]21 687889930 572090979 /nfs/dbraw/zinc/09/09/79/572090979.db2.gz WDMKRFLGJLTCGP-VXGBXAGGSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@H+]1C[C@H]2CCCCC[C@H]21 687889930 572090980 /nfs/dbraw/zinc/09/09/80/572090980.db2.gz WDMKRFLGJLTCGP-VXGBXAGGSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(C[NH3+])CN1C[C@H]2CCCCC[C@H]21 687889930 572090983 /nfs/dbraw/zinc/09/09/83/572090983.db2.gz WDMKRFLGJLTCGP-VXGBXAGGSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@@H+]1C[C@H]2CCCCC[C@@H]21 687889925 572091091 /nfs/dbraw/zinc/09/10/91/572091091.db2.gz WDMKRFLGJLTCGP-NEPJUHHUSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@H+]1C[C@H]2CCCCC[C@@H]21 687889925 572091094 /nfs/dbraw/zinc/09/10/94/572091094.db2.gz WDMKRFLGJLTCGP-NEPJUHHUSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(C[NH3+])CN1C[C@H]2CCCCC[C@@H]21 687889925 572091096 /nfs/dbraw/zinc/09/10/96/572091096.db2.gz WDMKRFLGJLTCGP-NEPJUHHUSA-N 1 3 194.322 1.766 10 30 ADEEHO C#C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])C(C)C 300940134 572110401 /nfs/dbraw/zinc/11/04/01/572110401.db2.gz OQTJUPQZDUDFRN-WOPDTQHZSA-N 1 3 194.322 1.361 10 30 ADEEHO C#C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])C(C)C 300940126 572110889 /nfs/dbraw/zinc/11/08/89/572110889.db2.gz OQTJUPQZDUDFRN-GRYCIOLGSA-N 1 3 194.322 1.361 10 30 ADEEHO C#C[C@H](N[C@H]1CCC[C@H]1C[NH3+])C(C)C 300940131 572112064 /nfs/dbraw/zinc/11/20/64/572112064.db2.gz OQTJUPQZDUDFRN-SRVKXCTJSA-N 1 3 194.322 1.361 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@@H]1CCNC 69731101 572135925 /nfs/dbraw/zinc/13/59/25/572135925.db2.gz VPJRFRPFMHDPGC-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C=C[C@@H](C)N1CCCC[C@@H]1CC[NH3+] 69721270 572134668 /nfs/dbraw/zinc/13/46/68/572134668.db2.gz ZAMQBTLOYOPQKE-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCCC[C@@H]1CCN 69721270 572134670 /nfs/dbraw/zinc/13/46/70/572134670.db2.gz ZAMQBTLOYOPQKE-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCCC[C@@H]1CCN 69721270 572134673 /nfs/dbraw/zinc/13/46/73/572134673.db2.gz ZAMQBTLOYOPQKE-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@H]1CCN 69720992 572135396 /nfs/dbraw/zinc/13/53/96/572135396.db2.gz UMSFYKWWOYNWSZ-NSHDSACASA-N 1 3 180.295 1.213 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@H]1CCN 69720992 572135400 /nfs/dbraw/zinc/13/54/00/572135400.db2.gz UMSFYKWWOYNWSZ-NSHDSACASA-N 1 3 180.295 1.213 10 30 ADEEHO C#CCCN1CCCC[C@H]1CC[NH3+] 69720992 572135402 /nfs/dbraw/zinc/13/54/02/572135402.db2.gz UMSFYKWWOYNWSZ-NSHDSACASA-N 1 3 180.295 1.213 10 30 ADEEHO CC#CCN1CCC(CC[NH2+]C)CC1 69730582 572135419 /nfs/dbraw/zinc/13/54/19/572135419.db2.gz FXSXZILEILKYCX-UHFFFAOYSA-N 1 3 194.322 1.331 10 30 ADEEHO C#CCCN1CCCC[C@@H]1CC[NH2+]C 69731101 572135920 /nfs/dbraw/zinc/13/59/20/572135920.db2.gz VPJRFRPFMHDPGC-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@@H]1CCNC 69731101 572135922 /nfs/dbraw/zinc/13/59/22/572135922.db2.gz VPJRFRPFMHDPGC-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@@H]1CCN 69720989 572136178 /nfs/dbraw/zinc/13/61/78/572136178.db2.gz UMSFYKWWOYNWSZ-LLVKDONJSA-N 1 3 180.295 1.213 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@@H]1CCN 69720989 572136179 /nfs/dbraw/zinc/13/61/79/572136179.db2.gz UMSFYKWWOYNWSZ-LLVKDONJSA-N 1 3 180.295 1.213 10 30 ADEEHO C#CCCN1CCCC[C@@H]1CC[NH3+] 69720989 572136183 /nfs/dbraw/zinc/13/61/83/572136183.db2.gz UMSFYKWWOYNWSZ-LLVKDONJSA-N 1 3 180.295 1.213 10 30 ADEEHO C=C[C@H](C)N1CCCC[C@@H]1CC[NH3+] 69721266 572136377 /nfs/dbraw/zinc/13/63/77/572136377.db2.gz ZAMQBTLOYOPQKE-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCCC[C@@H]1CCN 69721266 572136379 /nfs/dbraw/zinc/13/63/79/572136379.db2.gz ZAMQBTLOYOPQKE-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCCC[C@@H]1CCN 69721266 572136383 /nfs/dbraw/zinc/13/63/83/572136383.db2.gz ZAMQBTLOYOPQKE-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(C)CN1CCCC[C@@H]1CC[NH3+] 69721209 572136808 /nfs/dbraw/zinc/13/68/08/572136808.db2.gz UMHMZVQVMHICJO-LLVKDONJSA-N 1 3 182.311 1.766 10 30 ADEEHO C=C(C)C[N@@H+]1CCCC[C@@H]1CCN 69721209 572136812 /nfs/dbraw/zinc/13/68/12/572136812.db2.gz UMHMZVQVMHICJO-LLVKDONJSA-N 1 3 182.311 1.766 10 30 ADEEHO C=C(C)C[N@H+]1CCCC[C@@H]1CCN 69721209 572136814 /nfs/dbraw/zinc/13/68/14/572136814.db2.gz UMHMZVQVMHICJO-LLVKDONJSA-N 1 3 182.311 1.766 10 30 ADEEHO C=C(C)CN1CCCC[C@H]1CC[NH3+] 69721211 572136831 /nfs/dbraw/zinc/13/68/31/572136831.db2.gz UMHMZVQVMHICJO-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C=C(C)C[N@@H+]1CCCC[C@H]1CCN 69721211 572136833 /nfs/dbraw/zinc/13/68/33/572136833.db2.gz UMHMZVQVMHICJO-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C=C(C)C[N@H+]1CCCC[C@H]1CCN 69721211 572136837 /nfs/dbraw/zinc/13/68/37/572136837.db2.gz UMHMZVQVMHICJO-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C#CCCN1CCCC[C@H]1CC[NH2+]C 69731100 572137851 /nfs/dbraw/zinc/13/78/51/572137851.db2.gz VPJRFRPFMHDPGC-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@H]1CCNC 69731100 572137854 /nfs/dbraw/zinc/13/78/54/572137854.db2.gz VPJRFRPFMHDPGC-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@H]1CCNC 69731100 572137855 /nfs/dbraw/zinc/13/78/55/572137855.db2.gz VPJRFRPFMHDPGC-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO N#CCCCN1CCC(CC[NH3+])CC1 69730026 572138154 /nfs/dbraw/zinc/13/81/54/572138154.db2.gz GFYAOHLTUDLHLH-UHFFFAOYSA-N 1 3 195.310 1.351 10 30 ADEEHO C#C[C@H](CCC)N1CC[C@H]([NH3+])C[C@H]1C 300397347 572142841 /nfs/dbraw/zinc/14/28/41/572142841.db2.gz AZHMIXRVDRXDAT-GRYCIOLGSA-N 1 3 194.322 1.600 10 30 ADEEHO C#CCCN1[C@H]2CC[C@@H]1CC([NH2+]C)C2 69791366 572144782 /nfs/dbraw/zinc/14/47/82/572144782.db2.gz IPZLQVUWHIMOOZ-YOGCLGLASA-N 1 3 192.306 1.225 10 30 ADEEHO C#CCC[N@@H+]1[C@H]2CC[C@@H]1CC(NC)C2 69791366 572144784 /nfs/dbraw/zinc/14/47/84/572144784.db2.gz IPZLQVUWHIMOOZ-YOGCLGLASA-N 1 3 192.306 1.225 10 30 ADEEHO C#CCC[N@H+]1[C@H]2CC[C@@H]1CC(NC)C2 69791366 572144786 /nfs/dbraw/zinc/14/47/86/572144786.db2.gz IPZLQVUWHIMOOZ-YOGCLGLASA-N 1 3 192.306 1.225 10 30 ADEEHO C#C[C@H](CCC)N1CC[C@@H]([NH3+])C[C@H]1C 300397348 572146481 /nfs/dbraw/zinc/14/64/81/572146481.db2.gz AZHMIXRVDRXDAT-IJLUTSLNSA-N 1 3 194.322 1.600 10 30 ADEEHO C=C(C)CN(CC)CC[C@H](C)[NH3+] 37476714 572149021 /nfs/dbraw/zinc/14/90/21/572149021.db2.gz QHLHSCVDEFNWFG-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)CN(CC)CC[C@@H](C)[NH3+] 37476713 572149332 /nfs/dbraw/zinc/14/93/32/572149332.db2.gz QHLHSCVDEFNWFG-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C#C[C@H](CC)N[C@H]1CCC[C@H]1C[NH3+] 300397350 572166804 /nfs/dbraw/zinc/16/68/04/572166804.db2.gz AZSFTEABUUKJBC-AXFHLTTASA-N 1 3 180.295 1.115 10 30 ADEEHO C#CCCCN1CC[C@@H]([NH2+]C)C[C@H]1C 300398311 572168731 /nfs/dbraw/zinc/16/87/31/572168731.db2.gz IWHBDTPQWWOOFK-VXGBXAGGSA-N 1 3 194.322 1.472 10 30 ADEEHO C#CCCC[N@H+]1CC[C@@H](NC)C[C@H]1C 300398311 572168735 /nfs/dbraw/zinc/16/87/35/572168735.db2.gz IWHBDTPQWWOOFK-VXGBXAGGSA-N 1 3 194.322 1.472 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@@H](NC)C[C@H]1C 300398311 572168739 /nfs/dbraw/zinc/16/87/39/572168739.db2.gz IWHBDTPQWWOOFK-VXGBXAGGSA-N 1 3 194.322 1.472 10 30 ADEEHO C#CCCCCN1CC[C@@H]([NH3+])[C@H](C)C1 300398920 572169234 /nfs/dbraw/zinc/16/92/34/572169234.db2.gz NCCXYZKOQIXYKZ-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@H](CC)N[C@@H]1CCCC[C@H]1C[NH3+] 300398442 572169562 /nfs/dbraw/zinc/16/95/62/572169562.db2.gz KFSCHNBNSKZEFV-QJPTWQEYSA-N 1 3 194.322 1.505 10 30 ADEEHO C#C[C@H](CC)N[C@H]1CCCC[C@H]1C[NH3+] 300398445 572170441 /nfs/dbraw/zinc/17/04/41/572170441.db2.gz KFSCHNBNSKZEFV-TUAOUCFPSA-N 1 3 194.322 1.505 10 30 ADEEHO C#CCCCN1CC[C@H]([NH2+]C)C[C@H]1C 300398310 572170815 /nfs/dbraw/zinc/17/08/15/572170815.db2.gz IWHBDTPQWWOOFK-NEPJUHHUSA-N 1 3 194.322 1.472 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](NC)C[C@H]1C 300398310 572170817 /nfs/dbraw/zinc/17/08/17/572170817.db2.gz IWHBDTPQWWOOFK-NEPJUHHUSA-N 1 3 194.322 1.472 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](NC)C[C@H]1C 300398310 572170819 /nfs/dbraw/zinc/17/08/19/572170819.db2.gz IWHBDTPQWWOOFK-NEPJUHHUSA-N 1 3 194.322 1.472 10 30 ADEEHO C#C[C@H](CC)N[C@H]1CCC[C@H]([NH3+])C1 300399529 572172132 /nfs/dbraw/zinc/17/21/32/572172132.db2.gz SPDGYSKWURPTOU-AXFHLTTASA-N 1 3 180.295 1.258 10 30 ADEEHO C#CCCCCN1CC[C@H]([NH3+])C[C@H]1C 300399251 572171099 /nfs/dbraw/zinc/17/10/99/572171099.db2.gz OTXIUXBYZWMYNM-NEPJUHHUSA-N 1 3 194.322 1.602 10 30 ADEEHO C#CCCCC[N@H+]1CC[C@H](N)C[C@H]1C 300399251 572171104 /nfs/dbraw/zinc/17/11/04/572171104.db2.gz OTXIUXBYZWMYNM-NEPJUHHUSA-N 1 3 194.322 1.602 10 30 ADEEHO C#CCCCC[N@@H+]1CC[C@H](N)C[C@H]1C 300399251 572171106 /nfs/dbraw/zinc/17/11/06/572171106.db2.gz OTXIUXBYZWMYNM-NEPJUHHUSA-N 1 3 194.322 1.602 10 30 ADEEHO C#C[C@H](CCC)N[C@H]1CCC[C@H]([NH3+])C1 300399441 572171246 /nfs/dbraw/zinc/17/12/46/572171246.db2.gz QSHJKLWZZUWNLH-TUAOUCFPSA-N 1 3 194.322 1.648 10 30 ADEEHO C#C[C@H](CCC)N1CC[C@H]([NH3+])C[C@@H]1C 300397349 572171421 /nfs/dbraw/zinc/17/14/21/572171421.db2.gz AZHMIXRVDRXDAT-SDDRHHMPSA-N 1 3 194.322 1.600 10 30 ADEEHO C#C[C@H](CCC)N[C@@H]1CC[C@H]([NH3+])C1 300399982 572171697 /nfs/dbraw/zinc/17/16/97/572171697.db2.gz ZTKSXKAGPJHXBD-HBNTYKKESA-N 1 3 180.295 1.258 10 30 ADEEHO C#CCCCN1CC[C@H]([NH2+]C)[C@H](C)C1 300399494 572171715 /nfs/dbraw/zinc/17/17/15/572171715.db2.gz RXGXLEMXPBRMOA-NEPJUHHUSA-N 1 3 194.322 1.330 10 30 ADEEHO C#CCCCCN1CC[C@@H]([NH3+])C[C@H]1C 300399252 572172082 /nfs/dbraw/zinc/17/20/82/572172082.db2.gz OTXIUXBYZWMYNM-VXGBXAGGSA-N 1 3 194.322 1.602 10 30 ADEEHO C#CCCCC[N@H+]1CC[C@@H](N)C[C@H]1C 300399252 572172085 /nfs/dbraw/zinc/17/20/85/572172085.db2.gz OTXIUXBYZWMYNM-VXGBXAGGSA-N 1 3 194.322 1.602 10 30 ADEEHO C#CCCCC[N@@H+]1CC[C@@H](N)C[C@H]1C 300399252 572172086 /nfs/dbraw/zinc/17/20/86/572172086.db2.gz OTXIUXBYZWMYNM-VXGBXAGGSA-N 1 3 194.322 1.602 10 30 ADEEHO C#C[C@H](CCC)N[C@H]1CCC[C@H]1C[NH3+] 300399307 572173233 /nfs/dbraw/zinc/17/32/33/572173233.db2.gz QBPCTLALPYXCGM-TUAOUCFPSA-N 1 3 194.322 1.505 10 30 ADEEHO C#CCCCN1CC[C@@H]([NH2+]C)[C@H](C)C1 300399495 572173006 /nfs/dbraw/zinc/17/30/06/572173006.db2.gz RXGXLEMXPBRMOA-VXGBXAGGSA-N 1 3 194.322 1.330 10 30 ADEEHO C#C[C@H](CCC)N[C@H]1CC[C@H]([NH3+])C1 300399981 572173136 /nfs/dbraw/zinc/17/31/36/572173136.db2.gz ZTKSXKAGPJHXBD-AXFHLTTASA-N 1 3 180.295 1.258 10 30 ADEEHO C#C[C@H](CCC)N[C@@H]1CCC[C@H]1C[NH3+] 300399306 572173527 /nfs/dbraw/zinc/17/35/27/572173527.db2.gz QBPCTLALPYXCGM-QJPTWQEYSA-N 1 3 194.322 1.505 10 30 ADEEHO C#C[C@H](CCC)N[C@@H]1CCC[C@H]([NH3+])C1 300399440 572173628 /nfs/dbraw/zinc/17/36/28/572173628.db2.gz QSHJKLWZZUWNLH-QJPTWQEYSA-N 1 3 194.322 1.648 10 30 ADEEHO C#CCCNCCC[NH+](CC)CC 70159546 572183870 /nfs/dbraw/zinc/18/38/70/572183870.db2.gz QMKUSUVRLLPOLO-UHFFFAOYSA-N 1 3 182.311 1.331 10 30 ADEEHO C#CCC[NH2+]CCCN(CC)CC 70159546 572183873 /nfs/dbraw/zinc/18/38/73/572183873.db2.gz QMKUSUVRLLPOLO-UHFFFAOYSA-N 1 3 182.311 1.331 10 30 ADEEHO C#CCCNC1CC[NH+](C(C)C)CC1 70191134 572191004 /nfs/dbraw/zinc/19/10/04/572191004.db2.gz FMMQZYNMKIZUFA-UHFFFAOYSA-N 1 3 194.322 1.472 10 30 ADEEHO C#CCCNC1CC[NH+](CCC)CC1 70191138 572192795 /nfs/dbraw/zinc/19/27/95/572192795.db2.gz GUUJWZNWVVBVNA-UHFFFAOYSA-N 1 3 194.322 1.474 10 30 ADEEHO C#CCC[N@@H+]1CCCN[C@@H](CCC)C1 83093694 572194020 /nfs/dbraw/zinc/19/40/20/572194020.db2.gz UJWUQFQOGQFKBU-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO C#CCC[N@H+]1CCCN[C@@H](CCC)C1 83093694 572194021 /nfs/dbraw/zinc/19/40/21/572194021.db2.gz UJWUQFQOGQFKBU-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO C#CCC[N@@H+]1CCCN[C@H](CCC)C1 83093692 572195601 /nfs/dbraw/zinc/19/56/01/572195601.db2.gz UJWUQFQOGQFKBU-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C#CCC[N@H+]1CCCN[C@H](CCC)C1 83093692 572195603 /nfs/dbraw/zinc/19/56/03/572195603.db2.gz UJWUQFQOGQFKBU-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C=C([C@@H]([NH3+])CC)[C@H](N)CC 140489466 572204845 /nfs/dbraw/zinc/20/48/45/572204845.db2.gz NDWXADUKWMKDCD-OCAPTIKFSA-N 1 3 142.246 1.017 10 30 ADEEHO C=C([C@@H](N)CC)[C@H]([NH3+])CC 140489466 572204848 /nfs/dbraw/zinc/20/48/48/572204848.db2.gz NDWXADUKWMKDCD-OCAPTIKFSA-N 1 3 142.246 1.017 10 30 ADEEHO C=CC[NH2+][C@@H]1CCCN(CC)CC1 83421354 572218086 /nfs/dbraw/zinc/21/80/86/572218086.db2.gz QBBNJEUKFCXULA-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCN[C@@H]1CCC[N@@H+](CC)CC1 83421354 572218088 /nfs/dbraw/zinc/21/80/88/572218088.db2.gz QBBNJEUKFCXULA-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCN[C@@H]1CCC[N@H+](CC)CC1 83421354 572218090 /nfs/dbraw/zinc/21/80/90/572218090.db2.gz QBBNJEUKFCXULA-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CC[NH2+][C@H]1CCCN(CC)CC1 83421352 572216957 /nfs/dbraw/zinc/21/69/57/572216957.db2.gz QBBNJEUKFCXULA-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCN[C@H]1CCC[N@@H+](CC)CC1 83421352 572216958 /nfs/dbraw/zinc/21/69/58/572216958.db2.gz QBBNJEUKFCXULA-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCN[C@H]1CCC[N@H+](CC)CC1 83421352 572216960 /nfs/dbraw/zinc/21/69/60/572216960.db2.gz QBBNJEUKFCXULA-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCCC[N@@H+](C)C[C@@H](C)[C@@H](C)N 220261354 572217511 /nfs/dbraw/zinc/21/75/11/572217511.db2.gz ARGSZUWQWUAQIC-GHMZBOCLSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCCC[N@H+](C)C[C@@H](C)[C@@H](C)N 220261354 572217514 /nfs/dbraw/zinc/21/75/14/572217514.db2.gz ARGSZUWQWUAQIC-GHMZBOCLSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCCCN(C)C[C@@H](C)[C@@H](C)[NH3+] 220261354 572217517 /nfs/dbraw/zinc/21/75/17/572217517.db2.gz ARGSZUWQWUAQIC-GHMZBOCLSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)CCN[C@H](C[NH3+])[C@H]1CCCO1 687796385 572217522 /nfs/dbraw/zinc/21/75/22/572217522.db2.gz GUFFJBXTIPFJKJ-GHMZBOCLSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(C)CCN[C@]1(C[NH3+])CCO[C@H]1C 687796443 572217554 /nfs/dbraw/zinc/21/75/54/572217554.db2.gz SJGUGDGGFYYYFN-QWRGUYRKSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(C)CCN[C@@]1(C[NH3+])CCCOC1 687796462 572217583 /nfs/dbraw/zinc/21/75/83/572217583.db2.gz YLHWCYKZMUVBNH-LLVKDONJSA-N 1 3 198.310 1.050 10 30 ADEEHO C=C(C)CCN[C@@]1(C[NH3+])CCO[C@@H]1C 687796441 572218034 /nfs/dbraw/zinc/21/80/34/572218034.db2.gz SJGUGDGGFYYYFN-GHMZBOCLSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(C)CCNC1(C[NH3+])CC1 687796357 572218261 /nfs/dbraw/zinc/21/82/61/572218261.db2.gz YDNFZIYIPJLFJW-UHFFFAOYSA-N 1 3 154.257 1.034 10 30 ADEEHO C=C(C)CCN[C@H](C[NH3+])[C@@H]1CCCO1 687796386 572218725 /nfs/dbraw/zinc/21/87/25/572218725.db2.gz GUFFJBXTIPFJKJ-MNOVXSKESA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(C)CCN[C@]1(C[NH3+])CCCOC1 687796463 572218377 /nfs/dbraw/zinc/21/83/77/572218377.db2.gz YLHWCYKZMUVBNH-NSHDSACASA-N 1 3 198.310 1.050 10 30 ADEEHO C=C(C)CCN[C@]1(C[NH3+])CCO[C@@H]1C 687796442 572218385 /nfs/dbraw/zinc/21/83/85/572218385.db2.gz SJGUGDGGFYYYFN-MNOVXSKESA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(C)CCN[C@@H](C[NH3+])[C@@H]1CCCO1 687796387 572218530 /nfs/dbraw/zinc/21/85/30/572218530.db2.gz GUFFJBXTIPFJKJ-QWRGUYRKSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(C)CCN[C@@H](C[NH3+])[C@H]1CCCO1 687796388 572218795 /nfs/dbraw/zinc/21/87/95/572218795.db2.gz GUFFJBXTIPFJKJ-WDEREUQCSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C(C)CCN[C@@]1(C[NH3+])CCO[C@H]1C 687796444 572219280 /nfs/dbraw/zinc/21/92/80/572219280.db2.gz SJGUGDGGFYYYFN-WDEREUQCSA-N 1 3 198.310 1.049 10 30 ADEEHO C=C[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 235198288 572219758 /nfs/dbraw/zinc/21/97/58/572219758.db2.gz PSXXUSZNJXDKDY-GHMZBOCLSA-N 1 3 194.322 1.635 10 30 ADEEHO C=C[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 235198288 572219761 /nfs/dbraw/zinc/21/97/61/572219761.db2.gz PSXXUSZNJXDKDY-GHMZBOCLSA-N 1 3 194.322 1.635 10 30 ADEEHO C=C[C@@H](C)NC[C@@H]1CC[N@H+](C)C1 235196838 572219970 /nfs/dbraw/zinc/21/99/70/572219970.db2.gz XTZYYKWALSYSFU-ZJUUUORDSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@@H](C)NC[C@@H]1CC[N@@H+](C)C1 235196838 572219976 /nfs/dbraw/zinc/21/99/76/572219976.db2.gz XTZYYKWALSYSFU-ZJUUUORDSA-N 1 3 168.284 1.102 10 30 ADEEHO C#C[C@H](C(C)C)N1CC[C@@H]([NH3+])[C@@H](C)C1 300737359 572223821 /nfs/dbraw/zinc/22/38/21/572223821.db2.gz AHWJJCIWNAXGPX-QJPTWQEYSA-N 1 3 194.322 1.313 10 30 ADEEHO C=CCCCN(C)C[C@H]1C[NH2+]C[C@@H]1C 220272755 572225843 /nfs/dbraw/zinc/22/58/43/572225843.db2.gz FYCDLEPPMFQRHO-NWDGAFQWSA-N 1 3 196.338 1.740 10 30 ADEEHO C#C[C@H](C(C)C)N1CC[C@@H]([NH3+])[C@H](C)C1 300737358 572230636 /nfs/dbraw/zinc/23/06/36/572230636.db2.gz AHWJJCIWNAXGPX-IJLUTSLNSA-N 1 3 194.322 1.313 10 30 ADEEHO C=C[C@@H](C)NCC(C)(C)C[NH+](C)C 235205316 572234698 /nfs/dbraw/zinc/23/46/98/572234698.db2.gz NVWBHPMRQCMOQX-SNVBAGLBSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CCC[NH2+]C[C@@H]1CCN(CC)C1 70591690 572239218 /nfs/dbraw/zinc/23/92/18/572239218.db2.gz FHMIIEJJNHDQDU-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=CCCC[NH2+]C[C@@H]1CCN(CC)C1 70591692 572240648 /nfs/dbraw/zinc/24/06/48/572240648.db2.gz FNRSVXATSPSBDT-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCC[NH2+]C[C@H]1CCN(CC)C1 70591689 572240752 /nfs/dbraw/zinc/24/07/52/572240752.db2.gz FHMIIEJJNHDQDU-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=CCCC[NH2+]C[C@H]1CCN(CC)C1 70591691 572240763 /nfs/dbraw/zinc/24/07/63/572240763.db2.gz FNRSVXATSPSBDT-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCC[N@@H+](C)[C@@H](C)[C@@H](C)CN 220304446 572241732 /nfs/dbraw/zinc/24/17/32/572241732.db2.gz KGJWPVKCHHRRTI-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCCC[N@H+](C)[C@@H](C)[C@@H](C)CN 220304446 572241733 /nfs/dbraw/zinc/24/17/33/572241733.db2.gz KGJWPVKCHHRRTI-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C[C@@H](C)NC[C@H]1CC[N@H+](C)C1 235218659 572249909 /nfs/dbraw/zinc/24/99/09/572249909.db2.gz XTZYYKWALSYSFU-NXEZZACHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@@H](C)NC[C@H]1CC[N@@H+](C)C1 235218659 572249910 /nfs/dbraw/zinc/24/99/10/572249910.db2.gz XTZYYKWALSYSFU-NXEZZACHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@H]2CCC[C@H]21 307036935 572329064 /nfs/dbraw/zinc/32/90/64/572329064.db2.gz OPYUPZLJGBFAQH-GHMZBOCLSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@H]2CCC[C@H]21 307036935 572329066 /nfs/dbraw/zinc/32/90/66/572329066.db2.gz OPYUPZLJGBFAQH-GHMZBOCLSA-N 1 3 180.295 1.376 10 30 ADEEHO CC#CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307099638 572329583 /nfs/dbraw/zinc/32/95/83/572329583.db2.gz RZSXCGINVWWHJR-SDDRHHMPSA-N 1 3 192.306 1.069 10 30 ADEEHO C#C[C@H](CC)N1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 307045861 572330595 /nfs/dbraw/zinc/33/05/95/572330595.db2.gz WRHSFISEYAGYCA-IRCOFANPSA-N 1 3 192.306 1.067 10 30 ADEEHO C[C@@H]1CN(CCCCC#N)CC[C@@H]1[NH3+] 86886677 572330664 /nfs/dbraw/zinc/33/06/64/572330664.db2.gz MQRWISHKUJBUFC-MNOVXSKESA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]1CN(CCCCC#N)CC[C@@H]1[NH3+] 86886680 572332301 /nfs/dbraw/zinc/33/23/01/572332301.db2.gz MQRWISHKUJBUFC-QWRGUYRKSA-N 1 3 195.310 1.349 10 30 ADEEHO CCCC[NH+](CC#CCN)CCCC 238203648 572332579 /nfs/dbraw/zinc/33/25/79/572332579.db2.gz IGZATYGSZNFDKA-UHFFFAOYSA-N 1 3 196.338 1.851 10 30 ADEEHO C#C[C@H](C(C)C)[N@@H+]1CCCN[C@@H](C)C1 300915181 572332819 /nfs/dbraw/zinc/33/28/19/572332819.db2.gz MIBLVJFKOXLARB-NWDGAFQWSA-N 1 3 194.322 1.328 10 30 ADEEHO C#C[C@H](C(C)C)[N@H+]1CCCN[C@@H](C)C1 300915181 572332823 /nfs/dbraw/zinc/33/28/23/572332823.db2.gz MIBLVJFKOXLARB-NWDGAFQWSA-N 1 3 194.322 1.328 10 30 ADEEHO C#CCN1CCCC2(CC[NH2+]CC2)C1 307041960 572332970 /nfs/dbraw/zinc/33/29/70/572332970.db2.gz RSJQLUXPWNOYLX-UHFFFAOYSA-N 1 3 192.306 1.085 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 307036937 572334816 /nfs/dbraw/zinc/33/48/16/572334816.db2.gz OPYUPZLJGBFAQH-QWRGUYRKSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@@H]2CCC[C@@H]21 307036937 572334818 /nfs/dbraw/zinc/33/48/18/572334818.db2.gz OPYUPZLJGBFAQH-QWRGUYRKSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307172634 572339460 /nfs/dbraw/zinc/33/94/60/572339460.db2.gz QAFPJQYRTXHIGB-SRVKXCTJSA-N 1 3 196.338 1.868 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307172634 572339456 /nfs/dbraw/zinc/33/94/56/572339456.db2.gz QAFPJQYRTXHIGB-SRVKXCTJSA-N 1 3 196.338 1.868 10 30 ADEEHO C=C(C)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307172634 572339462 /nfs/dbraw/zinc/33/94/62/572339462.db2.gz QAFPJQYRTXHIGB-SRVKXCTJSA-N 1 3 196.338 1.868 10 30 ADEEHO C=C[C@H]([NH3+])[C@H](N)CCCCC 238211897 572339575 /nfs/dbraw/zinc/33/95/75/572339575.db2.gz UJWXIFIEHVPGMQ-DTWKUNHWSA-N 1 3 156.273 1.407 10 30 ADEEHO C=C[C@@H]([NH3+])[C@H](N)CCCCC 238212018 572341101 /nfs/dbraw/zinc/34/11/01/572341101.db2.gz UJWXIFIEHVPGMQ-RKDXNWHRSA-N 1 3 156.273 1.407 10 30 ADEEHO C=C(C)CN(CC)C[C@H](CC)C[NH3+] 83606628 572343889 /nfs/dbraw/zinc/34/38/89/572343889.db2.gz YCDGQPLXOVVXIH-LLVKDONJSA-N 1 3 184.327 1.869 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@H](CC)CN 83606628 572343892 /nfs/dbraw/zinc/34/38/92/572343892.db2.gz YCDGQPLXOVVXIH-LLVKDONJSA-N 1 3 184.327 1.869 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@H](CC)CN 83606628 572343898 /nfs/dbraw/zinc/34/38/98/572343898.db2.gz YCDGQPLXOVVXIH-LLVKDONJSA-N 1 3 184.327 1.869 10 30 ADEEHO C[C@@H]1C[C@@H](N)C[N@H+](CCCCC#N)C1 87042088 572353059 /nfs/dbraw/zinc/35/30/59/572353059.db2.gz CZHZIAMZRUYJHW-GHMZBOCLSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@@H]1C[C@@H](N)C[N@@H+](CCCCC#N)C1 87042088 572353060 /nfs/dbraw/zinc/35/30/60/572353060.db2.gz CZHZIAMZRUYJHW-GHMZBOCLSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]1C[C@H](N)C[N@@H+](CCCCC#N)C1 87042087 572355815 /nfs/dbraw/zinc/35/58/15/572355815.db2.gz CZHZIAMZRUYJHW-QWRGUYRKSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]1C[C@H](N)C[N@H+](CCCCC#N)C1 87042087 572355811 /nfs/dbraw/zinc/35/58/11/572355811.db2.gz CZHZIAMZRUYJHW-QWRGUYRKSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@@H]1C[C@H](N)C[N@H+](CCCCC#N)C1 87042085 572355986 /nfs/dbraw/zinc/35/59/86/572355986.db2.gz CZHZIAMZRUYJHW-MNOVXSKESA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@@H]1C[C@H](N)C[N@@H+](CCCCC#N)C1 87042085 572355990 /nfs/dbraw/zinc/35/59/90/572355990.db2.gz CZHZIAMZRUYJHW-MNOVXSKESA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]1C[C@@H](N)C[N@H+](CCCCC#N)C1 87042090 572356272 /nfs/dbraw/zinc/35/62/72/572356272.db2.gz CZHZIAMZRUYJHW-WDEREUQCSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]1C[C@@H](N)C[N@@H+](CCCCC#N)C1 87042090 572356277 /nfs/dbraw/zinc/35/62/77/572356277.db2.gz CZHZIAMZRUYJHW-WDEREUQCSA-N 1 3 195.310 1.349 10 30 ADEEHO C=C1CCN(CCC2([NH3+])CC2)CC1 307102167 572357674 /nfs/dbraw/zinc/35/76/74/572357674.db2.gz ZIQCYPQUEVDINL-UHFFFAOYSA-N 1 3 180.295 1.520 10 30 ADEEHO C=CCCC[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238658449 572358823 /nfs/dbraw/zinc/35/88/23/572358823.db2.gz KAPFKANQYWUAME-ZSBIGDGJSA-N 1 3 194.322 1.907 10 30 ADEEHO C=CCCC[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238658449 572358828 /nfs/dbraw/zinc/35/88/28/572358828.db2.gz KAPFKANQYWUAME-ZSBIGDGJSA-N 1 3 194.322 1.907 10 30 ADEEHO C[NH+](C)CCCNCCC(C)(C)C#N 83637904 572360884 /nfs/dbraw/zinc/36/08/84/572360884.db2.gz VIHOVTUEMZBLBJ-UHFFFAOYSA-N 1 3 197.326 1.468 10 30 ADEEHO CC(C)(C#N)CCC[NH2+]CCCN 83641019 572362990 /nfs/dbraw/zinc/36/29/90/572362990.db2.gz XEZDTVFVNUNYLS-UHFFFAOYSA-N 1 3 183.299 1.255 10 30 ADEEHO CC(C)(C#N)CCN1CC[C@H](C[NH3+])C1 83639301 572363021 /nfs/dbraw/zinc/36/30/21/572363021.db2.gz QSBYXPSUXAGQFQ-SNVBAGLBSA-N 1 3 195.310 1.207 10 30 ADEEHO CC(C)(C#N)CCN1CC[C@@H](C[NH3+])C1 83639302 572363253 /nfs/dbraw/zinc/36/32/53/572363253.db2.gz QSBYXPSUXAGQFQ-JTQLQIEISA-N 1 3 195.310 1.207 10 30 ADEEHO C=C1CCN(CCC2([NH3+])CCC2)CC1 307143853 572377602 /nfs/dbraw/zinc/37/76/02/572377602.db2.gz HEOSNNVWGOLPTM-UHFFFAOYSA-N 1 3 194.322 1.910 10 30 ADEEHO C=CCCN(C)CC1(C[NH3+])CC1 308001176 572382824 /nfs/dbraw/zinc/38/28/24/572382824.db2.gz HLIKBTQNKRLCHX-UHFFFAOYSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCN(C/C=C\C[NH3+])C1CC1 308001393 572384306 /nfs/dbraw/zinc/38/43/06/572384306.db2.gz HRBQCHCOMPCADX-ARJAWSKDSA-N 1 3 166.268 1.152 10 30 ADEEHO C=CCN(C/C=C/C[NH3+])C1CC1 308001400 572385181 /nfs/dbraw/zinc/38/51/81/572385181.db2.gz HRBQCHCOMPCADX-ONEGZZNKSA-N 1 3 166.268 1.152 10 30 ADEEHO C#C[C@@H](C)[NH2+]C1(CN)CC(C)(C)C1 307189551 572385466 /nfs/dbraw/zinc/38/54/66/572385466.db2.gz UREUPKRXBWMVIR-SECBINFHSA-N 1 3 180.295 1.115 10 30 ADEEHO C=CCN[C@](CC)(C[NH3+])C1CC1 83759222 572388111 /nfs/dbraw/zinc/38/81/11/572388111.db2.gz DZSVVKWCORUHGG-SNVBAGLBSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CC[C@H](C)C[C@H]1C 83759324 572388179 /nfs/dbraw/zinc/38/81/79/572388179.db2.gz XBURXLMAINTRJC-TUAOUCFPSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCC[C@@H]1C 83759154 572388254 /nfs/dbraw/zinc/38/82/54/572388254.db2.gz PGSZCMWDLKAORK-VHSXEESVSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@@H](C[NH3+])[C@@H](C)CCC 83759292 572388324 /nfs/dbraw/zinc/38/83/24/572388324.db2.gz QGJPJTHZZKPULO-UWVGGRQHSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC[C@H]1C 83759151 572388342 /nfs/dbraw/zinc/38/83/42/572388342.db2.gz PGSZCMWDLKAORK-ZJUUUORDSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@H](C[NH3+])C1CCCC1 83759186 572388428 /nfs/dbraw/zinc/38/84/28/572388428.db2.gz SUDSEFOUZSSRKZ-SNVBAGLBSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@@H](C[NH3+])C1CCCC1 83759184 572388652 /nfs/dbraw/zinc/38/86/52/572388652.db2.gz SUDSEFOUZSSRKZ-JTQLQIEISA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CC[C@@H](C)C1 83759552 572388896 /nfs/dbraw/zinc/38/88/96/572388896.db2.gz BAJPXOHFFBVTTE-ZJUUUORDSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCNC(CC)(CC)C[NH3+] 83759449 572388868 /nfs/dbraw/zinc/38/88/68/572388868.db2.gz BQMUXLQCCDAYHH-UHFFFAOYSA-N 1 3 156.273 1.280 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CC[C@H](C)C1 83759548 572389226 /nfs/dbraw/zinc/38/92/26/572389226.db2.gz BAJPXOHFFBVTTE-VHSXEESVSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCNC1(C[NH3+])C[C@@H](C)C[C@H](C)C1 83759217 572389244 /nfs/dbraw/zinc/38/92/44/572389244.db2.gz ASOZUUWYKSIDHP-QWRGUYRKSA-N 1 3 196.338 1.916 10 30 ADEEHO C#C[C@H](C)[NH2+]C1(CN)CC(C)(C)C1 307189552 572389736 /nfs/dbraw/zinc/38/97/36/572389736.db2.gz UREUPKRXBWMVIR-VIFPVBQESA-N 1 3 180.295 1.115 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CC[C@H](CC)C1 83759214 572389743 /nfs/dbraw/zinc/38/97/43/572389743.db2.gz XIOGAIIMBZZCAS-QWRGUYRKSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC[C@@H]1C 83759152 572389756 /nfs/dbraw/zinc/38/97/56/572389756.db2.gz PGSZCMWDLKAORK-UWVGGRQHSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@@](CC)(C[NH3+])C1CC1 83759224 572389774 /nfs/dbraw/zinc/38/97/74/572389774.db2.gz DZSVVKWCORUHGG-JTQLQIEISA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CC[C@@H](CC)C1 83759212 572389868 /nfs/dbraw/zinc/38/98/68/572389868.db2.gz XIOGAIIMBZZCAS-MNOVXSKESA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCNC1(C[NH3+])CCCCCC1 83759173 572390020 /nfs/dbraw/zinc/39/00/20/572390020.db2.gz UKIFTFBVPAVDLL-UHFFFAOYSA-N 1 3 182.311 1.814 10 30 ADEEHO C=CCNC1(C[NH3+])C[C@H](C)C[C@@H](C)C1 83759219 572390280 /nfs/dbraw/zinc/39/02/80/572390280.db2.gz ASOZUUWYKSIDHP-GHMZBOCLSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@@H](C)CCC 83759287 572390340 /nfs/dbraw/zinc/39/03/40/572390340.db2.gz QGJPJTHZZKPULO-VHSXEESVSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCN[C@@](C)(C[NH3+])CCC 83759360 572390363 /nfs/dbraw/zinc/39/03/63/572390363.db2.gz CNSSMDAMYUZXFF-SECBINFHSA-N 1 3 156.273 1.280 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCC[C@H]1C 83759153 572390569 /nfs/dbraw/zinc/39/05/69/572390569.db2.gz PGSZCMWDLKAORK-NXEZZACHSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CC[C@H](C)[C@@H](C)C1 83759409 572390684 /nfs/dbraw/zinc/39/06/84/572390684.db2.gz DQVPJKIDSAVDAM-SDDRHHMPSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCCN(C)C[C@H](C)C[NH2+]C 308007313 572390826 /nfs/dbraw/zinc/39/08/26/572390826.db2.gz MZVXWHPJIFOOOC-SNVBAGLBSA-N 1 3 170.300 1.350 10 30 ADEEHO C=CCN[C@@](C)(C[NH3+])CC(C)C 83759352 572391567 /nfs/dbraw/zinc/39/15/67/572391567.db2.gz LJBWARNRYCEHIJ-SNVBAGLBSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CC[C@@H](C)C[C@H]1C 83759322 572391739 /nfs/dbraw/zinc/39/17/39/572391739.db2.gz XBURXLMAINTRJC-UTUOFQBUSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CC[C@H](C)C1 83759553 572391900 /nfs/dbraw/zinc/39/19/00/572391900.db2.gz BAJPXOHFFBVTTE-UWVGGRQHSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@@H](C[NH3+])[C@H](C)CCC 83759290 572391913 /nfs/dbraw/zinc/39/19/13/572391913.db2.gz QGJPJTHZZKPULO-ZJUUUORDSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CC[C@@H](CC)C1 83759206 572392508 /nfs/dbraw/zinc/39/25/08/572392508.db2.gz XIOGAIIMBZZCAS-GHMZBOCLSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CC[C@@H](C)C1 83759544 572392579 /nfs/dbraw/zinc/39/25/79/572392579.db2.gz BAJPXOHFFBVTTE-NXEZZACHSA-N 1 3 168.284 1.280 10 30 ADEEHO C=C(CC)C[N@@H+]1CCC[C@@H](N)[C@H]1C 307286660 572394522 /nfs/dbraw/zinc/39/45/22/572394522.db2.gz RTDQKWBOCSGFKT-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(CC)C[N@H+]1CCC[C@@H](N)[C@H]1C 307286660 572394524 /nfs/dbraw/zinc/39/45/24/572394524.db2.gz RTDQKWBOCSGFKT-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C=CCN[C@@](C)(C[NH3+])CCC(C)C 83759867 572393599 /nfs/dbraw/zinc/39/35/99/572393599.db2.gz SGVWOWSQLVBAIA-LLVKDONJSA-N 1 3 184.327 1.916 10 30 ADEEHO C=CCCN(C)C[C@@H](C)C[NH2+]C 308007312 572394123 /nfs/dbraw/zinc/39/41/23/572394123.db2.gz MZVXWHPJIFOOOC-JTQLQIEISA-N 1 3 170.300 1.350 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCCC[C@@H]1C 83759751 572394636 /nfs/dbraw/zinc/39/46/36/572394636.db2.gz VZRXQHLTSFUNOQ-QWRGUYRKSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCC[C@H](C)C1 83759740 572394836 /nfs/dbraw/zinc/39/48/36/572394836.db2.gz GURXOBQIHINZJA-QWRGUYRKSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC[C@H](C)C1 83759733 572395182 /nfs/dbraw/zinc/39/51/82/572395182.db2.gz GURXOBQIHINZJA-WDEREUQCSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCCC[C@H]1C 83759749 572395000 /nfs/dbraw/zinc/39/50/00/572395000.db2.gz VZRXQHLTSFUNOQ-MNOVXSKESA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@@H](C[NH3+])C(CC)CC 83759850 572395013 /nfs/dbraw/zinc/39/50/13/572395013.db2.gz CLPZSFZYTXTYIR-JTQLQIEISA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC[C@@H](C)C1 83759732 572395128 /nfs/dbraw/zinc/39/51/28/572395128.db2.gz GURXOBQIHINZJA-GHMZBOCLSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC[C@H](C)[C@H]1C 83759649 572395149 /nfs/dbraw/zinc/39/51/49/572395149.db2.gz DPPMKYSTLJULCE-TUAOUCFPSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@H](C[NH3+])C(CC)CC 83759846 572395643 /nfs/dbraw/zinc/39/56/43/572395643.db2.gz CLPZSFZYTXTYIR-SNVBAGLBSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCCC[C@H]1C 83759753 572396472 /nfs/dbraw/zinc/39/64/72/572396472.db2.gz VZRXQHLTSFUNOQ-GHMZBOCLSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC[C@@H](C)[C@H]1C 83759647 572396866 /nfs/dbraw/zinc/39/68/66/572396866.db2.gz DPPMKYSTLJULCE-UTUOFQBUSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCC[N@@H+](C)C[C@@H](N)C(C)C 308008755 572396889 /nfs/dbraw/zinc/39/68/89/572396889.db2.gz NZKNAJLHVMFKTP-SNVBAGLBSA-N 1 3 170.300 1.478 10 30 ADEEHO C=CCC[N@H+](C)C[C@@H](N)C(C)C 308008755 572396893 /nfs/dbraw/zinc/39/68/93/572396893.db2.gz NZKNAJLHVMFKTP-SNVBAGLBSA-N 1 3 170.300 1.478 10 30 ADEEHO C=CCN[C@](C)(C[NH3+])CCC(C)C 83759864 572396920 /nfs/dbraw/zinc/39/69/20/572396920.db2.gz SGVWOWSQLVBAIA-NSHDSACASA-N 1 3 184.327 1.916 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCCC[C@@H]1C 83759755 572397100 /nfs/dbraw/zinc/39/71/00/572397100.db2.gz VZRXQHLTSFUNOQ-WDEREUQCSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@@H](C[NH3+])[C@H](C)CC 83759777 572397129 /nfs/dbraw/zinc/39/71/29/572397129.db2.gz XWEUNMOGCNJPBY-BDAKNGLRSA-N 1 3 156.273 1.135 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@@H](C)CC 83759776 572397897 /nfs/dbraw/zinc/39/78/97/572397897.db2.gz XWEUNMOGCNJPBY-DTWKUNHWSA-N 1 3 156.273 1.135 10 30 ADEEHO C=C1CCCN([C@@H](C)[C@H](C)C[NH3+])C1 688694254 572398320 /nfs/dbraw/zinc/39/83/20/572398320.db2.gz QDSUUPZIWBMICA-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCC[N@@H+]([C@@H](C)[C@H](C)CN)C1 688694254 572398324 /nfs/dbraw/zinc/39/83/24/572398324.db2.gz QDSUUPZIWBMICA-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCC[N@H+]([C@@H](C)[C@H](C)CN)C1 688694254 572398331 /nfs/dbraw/zinc/39/83/31/572398331.db2.gz QDSUUPZIWBMICA-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307172635 572398603 /nfs/dbraw/zinc/39/86/03/572398603.db2.gz QAFPJQYRTXHIGB-TUAOUCFPSA-N 1 3 196.338 1.868 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307172635 572398604 /nfs/dbraw/zinc/39/86/04/572398604.db2.gz QAFPJQYRTXHIGB-TUAOUCFPSA-N 1 3 196.338 1.868 10 30 ADEEHO C=C(C)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307172635 572398612 /nfs/dbraw/zinc/39/86/12/572398612.db2.gz QAFPJQYRTXHIGB-TUAOUCFPSA-N 1 3 196.338 1.868 10 30 ADEEHO C=C1CCCN([C@H](C)[C@@H](C)C[NH3+])C1 688694257 572399246 /nfs/dbraw/zinc/39/92/46/572399246.db2.gz QDSUUPZIWBMICA-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCC[N@@H+]([C@H](C)[C@@H](C)CN)C1 688694257 572399249 /nfs/dbraw/zinc/39/92/49/572399249.db2.gz QDSUUPZIWBMICA-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCC[N@H+]([C@H](C)[C@@H](C)CN)C1 688694257 572399252 /nfs/dbraw/zinc/39/92/52/572399252.db2.gz QDSUUPZIWBMICA-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCCN([C@@H](C)[C@@H](C)C[NH3+])C1 688694255 572399389 /nfs/dbraw/zinc/39/93/89/572399389.db2.gz QDSUUPZIWBMICA-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCC[N@@H+]([C@@H](C)[C@@H](C)CN)C1 688694255 572399393 /nfs/dbraw/zinc/39/93/93/572399393.db2.gz QDSUUPZIWBMICA-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCC[N@H+]([C@@H](C)[C@@H](C)CN)C1 688694255 572399398 /nfs/dbraw/zinc/39/93/98/572399398.db2.gz QDSUUPZIWBMICA-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCCN([C@H](C)[C@H](C)C[NH3+])C1 688694252 572400233 /nfs/dbraw/zinc/40/02/33/572400233.db2.gz QDSUUPZIWBMICA-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCC[N@@H+]([C@H](C)[C@H](C)CN)C1 688694252 572400237 /nfs/dbraw/zinc/40/02/37/572400237.db2.gz QDSUUPZIWBMICA-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCC[N@H+]([C@H](C)[C@H](C)CN)C1 688694252 572400242 /nfs/dbraw/zinc/40/02/42/572400242.db2.gz QDSUUPZIWBMICA-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@@H+](C)C[C@H](N)CCC 308016631 572400457 /nfs/dbraw/zinc/40/04/57/572400457.db2.gz SAHUPOCSOUFMDN-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCC[N@H+](C)C[C@H](N)CCC 308016631 572400462 /nfs/dbraw/zinc/40/04/62/572400462.db2.gz SAHUPOCSOUFMDN-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=C[C@H](C)N1C[C@@H]2C[NH+](C)C[C@H]2C1 307257434 572400896 /nfs/dbraw/zinc/40/08/96/572400896.db2.gz BBDKFTGFZAVMMD-DCAQKATOSA-N 1 3 180.295 1.054 10 30 ADEEHO C=CCC[N@@H+](C)C[C@@H](N)CCC 308016628 572401367 /nfs/dbraw/zinc/40/13/67/572401367.db2.gz SAHUPOCSOUFMDN-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCC[N@H+](C)C[C@@H](N)CCC 308016628 572401371 /nfs/dbraw/zinc/40/13/71/572401371.db2.gz SAHUPOCSOUFMDN-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(CC)C[N@@H+]1CCC[C@@H](N)[C@@H]1C 307286663 572403713 /nfs/dbraw/zinc/40/37/13/572403713.db2.gz RTDQKWBOCSGFKT-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=CCN1CCC(C(C)(C)C[NH3+])CC1 714405847 572402736 /nfs/dbraw/zinc/40/27/36/572402736.db2.gz SDUOVKMJJGBZIH-UHFFFAOYSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CC)C[N@H+]1CCC[C@@H](N)[C@@H]1C 307286663 572403717 /nfs/dbraw/zinc/40/37/17/572403717.db2.gz RTDQKWBOCSGFKT-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(CC)C[N@@H+]1CCC[C@H](N)[C@@H]1C 307286662 572404570 /nfs/dbraw/zinc/40/45/70/572404570.db2.gz RTDQKWBOCSGFKT-QWRGUYRKSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(CC)C[N@H+]1CCC[C@H](N)[C@@H]1C 307286662 572404575 /nfs/dbraw/zinc/40/45/75/572404575.db2.gz RTDQKWBOCSGFKT-QWRGUYRKSA-N 1 3 182.311 1.764 10 30 ADEEHO C=CCN1C[C@@H](C)[C@@](C)(C[NH3+])C1 307268369 572405091 /nfs/dbraw/zinc/40/50/91/572405091.db2.gz KIWTVKQAMGYSDC-ZJUUUORDSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CC[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 307268369 572405096 /nfs/dbraw/zinc/40/50/96/572405096.db2.gz KIWTVKQAMGYSDC-ZJUUUORDSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CC[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 307268369 572405101 /nfs/dbraw/zinc/40/51/01/572405101.db2.gz KIWTVKQAMGYSDC-ZJUUUORDSA-N 1 3 168.284 1.089 10 30 ADEEHO C=C[C@H]([NH3+])[C@@H](N)CCCCC 238234409 572412167 /nfs/dbraw/zinc/41/21/67/572412167.db2.gz UJWXIFIEHVPGMQ-IUCAKERBSA-N 1 3 156.273 1.407 10 30 ADEEHO C=C[C@@H]([NH3+])[C@@H](N)CCCCC 238234523 572412388 /nfs/dbraw/zinc/41/23/88/572412388.db2.gz UJWXIFIEHVPGMQ-BDAKNGLRSA-N 1 3 156.273 1.407 10 30 ADEEHO C=CCNCC#CC[NH+](CC)CC 238236749 572414823 /nfs/dbraw/zinc/41/48/23/572414823.db2.gz OQQQUMFNEQOILT-UHFFFAOYSA-N 1 3 180.295 1.107 10 30 ADEEHO C=C[C@@H](C)N1CC[C@](C)(C[NH3+])C1 307270333 572417628 /nfs/dbraw/zinc/41/76/28/572417628.db2.gz PMWXBFZXPSYQCJ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CC[C@](C)(CN)C1 307270333 572417631 /nfs/dbraw/zinc/41/76/31/572417631.db2.gz PMWXBFZXPSYQCJ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CC[C@](C)(CN)C1 307270333 572417635 /nfs/dbraw/zinc/41/76/35/572417635.db2.gz PMWXBFZXPSYQCJ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN1C[C@@H](C)[C@](C)(C[NH3+])C1 307268366 572418320 /nfs/dbraw/zinc/41/83/20/572418320.db2.gz KIWTVKQAMGYSDC-NXEZZACHSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CC[N@H+]1C[C@@H](C)[C@](C)(CN)C1 307268366 572418324 /nfs/dbraw/zinc/41/83/24/572418324.db2.gz KIWTVKQAMGYSDC-NXEZZACHSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CC[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 307268366 572418328 /nfs/dbraw/zinc/41/83/28/572418328.db2.gz KIWTVKQAMGYSDC-NXEZZACHSA-N 1 3 168.284 1.089 10 30 ADEEHO C=C(CC)C[N@@H+]1CCC[C@H](N)[C@H]1C 307286661 572420039 /nfs/dbraw/zinc/42/00/39/572420039.db2.gz RTDQKWBOCSGFKT-MNOVXSKESA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(CC)C[N@H+]1CCC[C@H](N)[C@H]1C 307286661 572420046 /nfs/dbraw/zinc/42/00/46/572420046.db2.gz RTDQKWBOCSGFKT-MNOVXSKESA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@@H](C)N1CC[C@@](C)(C[NH3+])C1 307270336 572421662 /nfs/dbraw/zinc/42/16/62/572421662.db2.gz PMWXBFZXPSYQCJ-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CC[C@@](C)(CN)C1 307270336 572421666 /nfs/dbraw/zinc/42/16/66/572421666.db2.gz PMWXBFZXPSYQCJ-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CC[C@@](C)(CN)C1 307270336 572421669 /nfs/dbraw/zinc/42/16/69/572421669.db2.gz PMWXBFZXPSYQCJ-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@H](C)N1CC[C@@](C)(C[NH3+])C1 307270334 572423255 /nfs/dbraw/zinc/42/32/55/572423255.db2.gz PMWXBFZXPSYQCJ-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CC[C@@](C)(CN)C1 307270334 572423259 /nfs/dbraw/zinc/42/32/59/572423259.db2.gz PMWXBFZXPSYQCJ-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@H](C)[N@H+]1CC[C@@](C)(CN)C1 307270334 572423265 /nfs/dbraw/zinc/42/32/65/572423265.db2.gz PMWXBFZXPSYQCJ-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C1CCN(CCC(C)(C)[NH3+])CC1 307226851 572423363 /nfs/dbraw/zinc/42/33/63/572423363.db2.gz GKBRGTRDGYQNFO-UHFFFAOYSA-N 1 3 182.311 1.766 10 30 ADEEHO C=CCN1C[C@H](C)[C@](C)(C[NH3+])C1 307268368 572427417 /nfs/dbraw/zinc/42/74/17/572427417.db2.gz KIWTVKQAMGYSDC-VHSXEESVSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CC[N@H+]1C[C@H](C)[C@](C)(CN)C1 307268368 572427421 /nfs/dbraw/zinc/42/74/21/572427421.db2.gz KIWTVKQAMGYSDC-VHSXEESVSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CC[N@@H+]1C[C@H](C)[C@](C)(CN)C1 307268368 572427424 /nfs/dbraw/zinc/42/74/24/572427424.db2.gz KIWTVKQAMGYSDC-VHSXEESVSA-N 1 3 168.284 1.089 10 30 ADEEHO CCCC[NH2+]CC#CCN(CC)CC 238237960 572427944 /nfs/dbraw/zinc/42/79/44/572427944.db2.gz XJBKJTPIYSIUJK-UHFFFAOYSA-N 1 3 196.338 1.721 10 30 ADEEHO C=CCCN(C)CC[C@@H]([NH3+])CC 308020884 572433141 /nfs/dbraw/zinc/43/31/41/572433141.db2.gz UMQLVTGKRWDIHV-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307377986 572442224 /nfs/dbraw/zinc/44/22/24/572442224.db2.gz WLLYHDDJHJZCAC-YFKTTZPYSA-N 1 3 196.338 1.866 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307377986 572442228 /nfs/dbraw/zinc/44/22/28/572442228.db2.gz WLLYHDDJHJZCAC-YFKTTZPYSA-N 1 3 196.338 1.866 10 30 ADEEHO C=C[C@H](C)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307377986 572442232 /nfs/dbraw/zinc/44/22/32/572442232.db2.gz WLLYHDDJHJZCAC-YFKTTZPYSA-N 1 3 196.338 1.866 10 30 ADEEHO C#CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 307300282 572444116 /nfs/dbraw/zinc/44/41/16/572444116.db2.gz WAWOUPBPDPJQHN-TUAOUCFPSA-N 1 3 192.306 1.082 10 30 ADEEHO C#CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 307300282 572444120 /nfs/dbraw/zinc/44/41/20/572444120.db2.gz WAWOUPBPDPJQHN-TUAOUCFPSA-N 1 3 192.306 1.082 10 30 ADEEHO C#CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 307300282 572444125 /nfs/dbraw/zinc/44/41/25/572444125.db2.gz WAWOUPBPDPJQHN-TUAOUCFPSA-N 1 3 192.306 1.082 10 30 ADEEHO C=CCC[N@H+]1CC[C@]2(CCC[C@H]2N)C1 307377162 572448371 /nfs/dbraw/zinc/44/83/71/572448371.db2.gz BXPVPKUMODSYEP-VXGBXAGGSA-N 1 3 194.322 1.766 10 30 ADEEHO C=CCC[N@@H+]1CC[C@]2(CCC[C@H]2N)C1 307377162 572448374 /nfs/dbraw/zinc/44/83/74/572448374.db2.gz BXPVPKUMODSYEP-VXGBXAGGSA-N 1 3 194.322 1.766 10 30 ADEEHO CC#CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307365572 572450279 /nfs/dbraw/zinc/45/02/79/572450279.db2.gz LCVGCRIHWQONPP-TUAOUCFPSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@@H](C(C)C)[N@@H+]1CCCN[C@@H](C)C1 300915184 572454772 /nfs/dbraw/zinc/45/47/72/572454772.db2.gz MIBLVJFKOXLARB-RYUDHWBXSA-N 1 3 194.322 1.328 10 30 ADEEHO C#C[C@@H](C(C)C)[N@H+]1CCCN[C@@H](C)C1 300915184 572454777 /nfs/dbraw/zinc/45/47/77/572454777.db2.gz MIBLVJFKOXLARB-RYUDHWBXSA-N 1 3 194.322 1.328 10 30 ADEEHO CC#CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307365573 572461753 /nfs/dbraw/zinc/46/17/53/572461753.db2.gz LCVGCRIHWQONPP-UTUOFQBUSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]12 307300281 572462090 /nfs/dbraw/zinc/46/20/90/572462090.db2.gz WAWOUPBPDPJQHN-QJPTWQEYSA-N 1 3 192.306 1.082 10 30 ADEEHO C#CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]12 307300281 572462092 /nfs/dbraw/zinc/46/20/92/572462092.db2.gz WAWOUPBPDPJQHN-QJPTWQEYSA-N 1 3 192.306 1.082 10 30 ADEEHO C#CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]12 307300281 572462103 /nfs/dbraw/zinc/46/21/03/572462103.db2.gz WAWOUPBPDPJQHN-QJPTWQEYSA-N 1 3 192.306 1.082 10 30 ADEEHO C#CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 307300283 572463768 /nfs/dbraw/zinc/46/37/68/572463768.db2.gz WAWOUPBPDPJQHN-UTUOFQBUSA-N 1 3 192.306 1.082 10 30 ADEEHO C#CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 307300283 572463772 /nfs/dbraw/zinc/46/37/72/572463772.db2.gz WAWOUPBPDPJQHN-UTUOFQBUSA-N 1 3 192.306 1.082 10 30 ADEEHO C#CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 307300283 572463777 /nfs/dbraw/zinc/46/37/77/572463777.db2.gz WAWOUPBPDPJQHN-UTUOFQBUSA-N 1 3 192.306 1.082 10 30 ADEEHO C#CCCCN1CC[C@@]2(CC[NH2+]C2)C1 307310415 572465583 /nfs/dbraw/zinc/46/55/83/572465583.db2.gz FWHDHFXHIKOPCE-GFCCVEGCSA-N 1 3 192.306 1.085 10 30 ADEEHO C#C[C@H](C(C)C)[N@@H+]1CCCN[C@H](C)C1 300915187 572465820 /nfs/dbraw/zinc/46/58/20/572465820.db2.gz MIBLVJFKOXLARB-VXGBXAGGSA-N 1 3 194.322 1.328 10 30 ADEEHO C#C[C@H](C(C)C)[N@H+]1CCCN[C@H](C)C1 300915187 572465822 /nfs/dbraw/zinc/46/58/22/572465822.db2.gz MIBLVJFKOXLARB-VXGBXAGGSA-N 1 3 194.322 1.328 10 30 ADEEHO CC#CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307365571 572479064 /nfs/dbraw/zinc/47/90/64/572479064.db2.gz LCVGCRIHWQONPP-SRVKXCTJSA-N 1 3 194.322 1.315 10 30 ADEEHO C=C(C)C[N@@H+]1CCCC[C@@H](CN)C1 307378466 572477176 /nfs/dbraw/zinc/47/71/76/572477176.db2.gz DCJGDHYSMJSAPJ-NSHDSACASA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C)C[N@H+]1CCCC[C@@H](CN)C1 307378466 572477181 /nfs/dbraw/zinc/47/71/81/572477181.db2.gz DCJGDHYSMJSAPJ-NSHDSACASA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C)CN1CCCC[C@@H](C[NH3+])C1 307378466 572477185 /nfs/dbraw/zinc/47/71/85/572477185.db2.gz DCJGDHYSMJSAPJ-NSHDSACASA-N 1 3 182.311 1.623 10 30 ADEEHO CC#CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307365574 572479723 /nfs/dbraw/zinc/47/97/23/572479723.db2.gz LCVGCRIHWQONPP-WOPDTQHZSA-N 1 3 194.322 1.315 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307377983 572482787 /nfs/dbraw/zinc/48/27/87/572482787.db2.gz WLLYHDDJHJZCAC-BJDJZHNGSA-N 1 3 196.338 1.866 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307377983 572482791 /nfs/dbraw/zinc/48/27/91/572482791.db2.gz WLLYHDDJHJZCAC-BJDJZHNGSA-N 1 3 196.338 1.866 10 30 ADEEHO C=C[C@H](C)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307377983 572482794 /nfs/dbraw/zinc/48/27/94/572482794.db2.gz WLLYHDDJHJZCAC-BJDJZHNGSA-N 1 3 196.338 1.866 10 30 ADEEHO C=C(C)C[N@@H+]1CCCC[C@H](CN)C1 307378461 572483800 /nfs/dbraw/zinc/48/38/00/572483800.db2.gz DCJGDHYSMJSAPJ-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C)C[N@H+]1CCCC[C@H](CN)C1 307378461 572483804 /nfs/dbraw/zinc/48/38/04/572483804.db2.gz DCJGDHYSMJSAPJ-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C)CN1CCCC[C@H](C[NH3+])C1 307378461 572483805 /nfs/dbraw/zinc/48/38/05/572483805.db2.gz DCJGDHYSMJSAPJ-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C1CC[NH+]([C@H](C)[C@H](C)CN)CC1 307442262 572491034 /nfs/dbraw/zinc/49/10/34/572491034.db2.gz SNBXPVIXCQJPRN-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C#C[C@@H](CCC)[NH2+]CC(C)(C)N 308044538 572501881 /nfs/dbraw/zinc/50/18/81/572501881.db2.gz ORQCEMQYOVFFMC-VIFPVBQESA-N 1 3 168.284 1.115 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@@H](CN)C1 307403589 572498947 /nfs/dbraw/zinc/49/89/47/572498947.db2.gz KJRLPNSKLRZUBA-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@@H](CN)C1 307403589 572498950 /nfs/dbraw/zinc/49/89/50/572498950.db2.gz KJRLPNSKLRZUBA-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C#CCCN1CCCC[C@@H](C[NH3+])C1 307403589 572498952 /nfs/dbraw/zinc/49/89/52/572498952.db2.gz KJRLPNSKLRZUBA-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C#CCCCN1CC[C@]2(CC[NH2+]C2)C1 307310426 572499095 /nfs/dbraw/zinc/49/90/95/572499095.db2.gz FWHDHFXHIKOPCE-LBPRGKRZSA-N 1 3 192.306 1.085 10 30 ADEEHO C#C[C@H](CCC)[NH2+]CC(C)(C)N 308044537 572501741 /nfs/dbraw/zinc/50/17/41/572501741.db2.gz ORQCEMQYOVFFMC-SECBINFHSA-N 1 3 168.284 1.115 10 30 ADEEHO C=C[C@H]1CCCC[N@H+]1CC(C)(C)N 307410384 572503058 /nfs/dbraw/zinc/50/30/58/572503058.db2.gz ORZFAAUNYRNANI-JTQLQIEISA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H]1CCCC[N@@H+]1CC(C)(C)N 307410384 572503061 /nfs/dbraw/zinc/50/30/61/572503061.db2.gz ORZFAAUNYRNANI-JTQLQIEISA-N 1 3 182.311 1.764 10 30 ADEEHO C=CC(C)(C)CN1CCC([NH3+])CC1 307441742 572504092 /nfs/dbraw/zinc/50/40/92/572504092.db2.gz NQTFXRMBMUZDNU-UHFFFAOYSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC(C)(C)C[NH+]1CCC(N)CC1 307441742 572504096 /nfs/dbraw/zinc/50/40/96/572504096.db2.gz NQTFXRMBMUZDNU-UHFFFAOYSA-N 1 3 182.311 1.622 10 30 ADEEHO C[NH2+]CCCN(C)CCCCC#N 87472552 572508310 /nfs/dbraw/zinc/50/83/10/572508310.db2.gz NJTNWXPWCQHKEI-UHFFFAOYSA-N 1 3 183.299 1.222 10 30 ADEEHO CNCCC[N@H+](C)CCCCC#N 87472552 572508313 /nfs/dbraw/zinc/50/83/13/572508313.db2.gz NJTNWXPWCQHKEI-UHFFFAOYSA-N 1 3 183.299 1.222 10 30 ADEEHO CNCCC[N@@H+](C)CCCCC#N 87472552 572508316 /nfs/dbraw/zinc/50/83/16/572508316.db2.gz NJTNWXPWCQHKEI-UHFFFAOYSA-N 1 3 183.299 1.222 10 30 ADEEHO C=CC[NH2+][C@@H]1CCCC[C@H]1CN 84215353 572511746 /nfs/dbraw/zinc/51/17/46/572511746.db2.gz FXDXSHJTRQOEFK-VHSXEESVSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@@H]1CCCC[C@H]1C[NH3+] 84215353 572511749 /nfs/dbraw/zinc/51/17/49/572511749.db2.gz FXDXSHJTRQOEFK-VHSXEESVSA-N 1 3 168.284 1.280 10 30 ADEEHO C#CCC[N@@H+](CC)[C@H]1CCC[C@@H]1CN 84214441 572510821 /nfs/dbraw/zinc/51/08/21/572510821.db2.gz LYQLZKUFSVGELZ-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCC[N@H+](CC)[C@H]1CCC[C@@H]1CN 84214441 572510822 /nfs/dbraw/zinc/51/08/22/572510822.db2.gz LYQLZKUFSVGELZ-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCCN(CC)[C@H]1CCC[C@@H]1C[NH3+] 84214441 572510826 /nfs/dbraw/zinc/51/08/26/572510826.db2.gz LYQLZKUFSVGELZ-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCC[NH2+][C@@H]1CCCC[C@H]1CN 84216946 572510840 /nfs/dbraw/zinc/51/08/40/572510840.db2.gz RFTPSDCZAKJGIG-WDEREUQCSA-N 1 3 180.295 1.117 10 30 ADEEHO C[N@H+](CCCC#N)[C@@H]1CCC[C@@H]1CN 84214026 572510879 /nfs/dbraw/zinc/51/08/79/572510879.db2.gz XEDMILJTHRKWMK-GHMZBOCLSA-N 1 3 195.310 1.349 10 30 ADEEHO C[N@@H+](CCCC#N)[C@@H]1CCC[C@@H]1CN 84214026 572510883 /nfs/dbraw/zinc/51/08/83/572510883.db2.gz XEDMILJTHRKWMK-GHMZBOCLSA-N 1 3 195.310 1.349 10 30 ADEEHO C=C(C)C[N@@H+](C)[C@@H]1CCC[C@@H]1CN 84213986 572510967 /nfs/dbraw/zinc/51/09/67/572510967.db2.gz VVJGQHPGGNXEKZ-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@H+](C)[C@@H]1CCC[C@@H]1CN 84213986 572510971 /nfs/dbraw/zinc/51/09/71/572510971.db2.gz VVJGQHPGGNXEKZ-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN(C)[C@@H]1CCC[C@@H]1C[NH3+] 84213986 572510975 /nfs/dbraw/zinc/51/09/75/572510975.db2.gz VVJGQHPGGNXEKZ-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[NH2+][C@H]1CCCC[C@H]1CN 84215355 572511008 /nfs/dbraw/zinc/51/10/08/572511008.db2.gz FXDXSHJTRQOEFK-UWVGGRQHSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@H]1CCCC[C@H]1C[NH3+] 84215355 572511013 /nfs/dbraw/zinc/51/10/13/572511013.db2.gz FXDXSHJTRQOEFK-UWVGGRQHSA-N 1 3 168.284 1.280 10 30 ADEEHO C#CCN(CC)[C@@H]1CCCC[C@@H]1C[NH3+] 84215289 572511084 /nfs/dbraw/zinc/51/10/84/572511084.db2.gz XNGPTRQJUOIBCS-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCN(CC)[C@H]1CCCC[C@@H]1C[NH3+] 84215291 572511504 /nfs/dbraw/zinc/51/15/04/572511504.db2.gz XNGPTRQJUOIBCS-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C=C[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1CN 84214064 572511534 /nfs/dbraw/zinc/51/15/34/572511534.db2.gz NEPOBPMQGAMDPD-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1CN 84214064 572511538 /nfs/dbraw/zinc/51/15/38/572511538.db2.gz NEPOBPMQGAMDPD-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)N(C)[C@@H]1CCC[C@@H]1C[NH3+] 84214064 572511540 /nfs/dbraw/zinc/51/15/40/572511540.db2.gz NEPOBPMQGAMDPD-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C[N@H+](CCCC#N)[C@H]1CCC[C@@H]1CN 84214027 572511875 /nfs/dbraw/zinc/51/18/75/572511875.db2.gz XEDMILJTHRKWMK-MNOVXSKESA-N 1 3 195.310 1.349 10 30 ADEEHO C[N@@H+](CCCC#N)[C@H]1CCC[C@@H]1CN 84214027 572511879 /nfs/dbraw/zinc/51/18/79/572511879.db2.gz XEDMILJTHRKWMK-MNOVXSKESA-N 1 3 195.310 1.349 10 30 ADEEHO C#CCN(CC)[C@@H]1CCC[C@@H]1C[NH3+] 84214542 572511967 /nfs/dbraw/zinc/51/19/67/572511967.db2.gz CTFSFEQVRWLYNT-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[NH2+][C@H]1CCCC[C@@H]1CN 84216945 572511974 /nfs/dbraw/zinc/51/19/74/572511974.db2.gz RFTPSDCZAKJGIG-MNOVXSKESA-N 1 3 180.295 1.117 10 30 ADEEHO C#CCC[N@@H+](C)[C@H]1CCCC[C@@H]1CN 84214779 572512139 /nfs/dbraw/zinc/51/21/39/572512139.db2.gz LPJZZNLWGHRWSJ-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCC[N@H+](C)[C@H]1CCCC[C@@H]1CN 84214779 572512145 /nfs/dbraw/zinc/51/21/45/572512145.db2.gz LPJZZNLWGHRWSJ-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCCN(C)[C@H]1CCCC[C@@H]1C[NH3+] 84214779 572512149 /nfs/dbraw/zinc/51/21/49/572512149.db2.gz LPJZZNLWGHRWSJ-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCN(CC)[C@H]1CCC[C@@H]1C[NH3+] 84214543 572512169 /nfs/dbraw/zinc/51/21/69/572512169.db2.gz CTFSFEQVRWLYNT-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C=CCN(C)[C@@H]1CCCC[C@@H]1C[NH3+] 84214822 572512362 /nfs/dbraw/zinc/51/23/62/572512362.db2.gz RXYMUUJMWBRVNL-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@@H+](C)[C@@H]1CCCC[C@@H]1CN 84214822 572512365 /nfs/dbraw/zinc/51/23/65/572512365.db2.gz RXYMUUJMWBRVNL-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@H+](C)[C@@H]1CCCC[C@@H]1CN 84214822 572512366 /nfs/dbraw/zinc/51/23/66/572512366.db2.gz RXYMUUJMWBRVNL-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@@H+](C)[C@@H]1CCC[C@@H]1CN 84214114 572512629 /nfs/dbraw/zinc/51/26/29/572512629.db2.gz JDCQFYVRBQLIMX-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@H+](C)[C@@H]1CCC[C@@H]1CN 84214114 572512634 /nfs/dbraw/zinc/51/26/34/572512634.db2.gz JDCQFYVRBQLIMX-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCC[NH2+][C@@H]1CCCC[C@@H]1CN 84216942 572512736 /nfs/dbraw/zinc/51/27/36/572512736.db2.gz RFTPSDCZAKJGIG-GHMZBOCLSA-N 1 3 180.295 1.117 10 30 ADEEHO C=CCC[N@@H+](C)[C@H]1CCC[C@@H]1CN 84214115 572512913 /nfs/dbraw/zinc/51/29/13/572512913.db2.gz JDCQFYVRBQLIMX-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@H+](C)[C@H]1CCC[C@@H]1CN 84214115 572512916 /nfs/dbraw/zinc/51/29/16/572512916.db2.gz JDCQFYVRBQLIMX-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[NH2+][C@H]1CCCC[C@@H]1CN 84215352 572513097 /nfs/dbraw/zinc/51/30/97/572513097.db2.gz FXDXSHJTRQOEFK-ZJUUUORDSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@H]1CCCC[C@@H]1C[NH3+] 84215352 572513102 /nfs/dbraw/zinc/51/31/02/572513102.db2.gz FXDXSHJTRQOEFK-ZJUUUORDSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN(C)[C@H]1CCC[C@@H]1C[NH3+] 84214043 572513121 /nfs/dbraw/zinc/51/31/21/572513121.db2.gz HXKNEIUTHZMNEJ-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C#CCC[N@@H+](C)[C@@H]1CCC[C@@H]1CN 84213960 572513139 /nfs/dbraw/zinc/51/31/39/572513139.db2.gz MDNREXSLIROLNB-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@H+](C)[C@@H]1CCC[C@@H]1CN 84213960 572513143 /nfs/dbraw/zinc/51/31/43/572513143.db2.gz MDNREXSLIROLNB-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCN(C)[C@@H]1CCC[C@@H]1C[NH3+] 84213960 572513144 /nfs/dbraw/zinc/51/31/44/572513144.db2.gz MDNREXSLIROLNB-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1CN 84214778 572513151 /nfs/dbraw/zinc/51/31/51/572513151.db2.gz LPJZZNLWGHRWSJ-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCC[N@H+](C)[C@@H]1CCCC[C@@H]1CN 84214778 572513154 /nfs/dbraw/zinc/51/31/54/572513154.db2.gz LPJZZNLWGHRWSJ-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCCN(C)[C@@H]1CCCC[C@@H]1C[NH3+] 84214778 572513157 /nfs/dbraw/zinc/51/31/57/572513157.db2.gz LPJZZNLWGHRWSJ-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCC[NH2+][C@H]1CCCC[C@H]1CN 84216948 572513177 /nfs/dbraw/zinc/51/31/77/572513177.db2.gz RFTPSDCZAKJGIG-QWRGUYRKSA-N 1 3 180.295 1.117 10 30 ADEEHO C=CCN(C)[C@@H]1CCC[C@@H]1C[NH3+] 84214042 572513260 /nfs/dbraw/zinc/51/32/60/572513260.db2.gz HXKNEIUTHZMNEJ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)C[N@@H+](C)[C@H]1CCC[C@@H]1CN 84213987 572513418 /nfs/dbraw/zinc/51/34/18/572513418.db2.gz VVJGQHPGGNXEKZ-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@H+](C)[C@H]1CCC[C@@H]1CN 84213987 572513421 /nfs/dbraw/zinc/51/34/21/572513421.db2.gz VVJGQHPGGNXEKZ-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN(C)[C@H]1CCC[C@@H]1C[NH3+] 84213987 572513425 /nfs/dbraw/zinc/51/34/25/572513425.db2.gz VVJGQHPGGNXEKZ-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN(C)[C@H]1CCCC[C@@H]1C[NH3+] 84214823 572513823 /nfs/dbraw/zinc/51/38/23/572513823.db2.gz RXYMUUJMWBRVNL-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@@H+](C)[C@H]1CCCC[C@@H]1CN 84214823 572513825 /nfs/dbraw/zinc/51/38/25/572513825.db2.gz RXYMUUJMWBRVNL-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@H+](C)[C@H]1CCCC[C@@H]1CN 84214823 572513830 /nfs/dbraw/zinc/51/38/30/572513830.db2.gz RXYMUUJMWBRVNL-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@@H+](CC)[C@@H]1CCC[C@@H]1CN 84214488 572513869 /nfs/dbraw/zinc/51/38/69/572513869.db2.gz MMEBEPPAVAAYNG-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@H+](CC)[C@@H]1CCC[C@@H]1CN 84214488 572513875 /nfs/dbraw/zinc/51/38/75/572513875.db2.gz MMEBEPPAVAAYNG-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN(CC)[C@@H]1CCC[C@@H]1C[NH3+] 84214488 572513876 /nfs/dbraw/zinc/51/38/76/572513876.db2.gz MMEBEPPAVAAYNG-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO CC#CCN(CC)[C@@H]1CCC[C@@H]1C[NH3+] 84214478 572514028 /nfs/dbraw/zinc/51/40/28/572514028.db2.gz OBHBFNXBOUDMOR-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCN(CC)[C@H]1CCC[C@@H]1C[NH3+] 84214479 572514068 /nfs/dbraw/zinc/51/40/68/572514068.db2.gz OBHBFNXBOUDMOR-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C=CC[N@@H+](CC)[C@H]1CCC[C@@H]1CN 84214489 572514169 /nfs/dbraw/zinc/51/41/69/572514169.db2.gz MMEBEPPAVAAYNG-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@H+](CC)[C@H]1CCC[C@@H]1CN 84214489 572514174 /nfs/dbraw/zinc/51/41/74/572514174.db2.gz MMEBEPPAVAAYNG-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN(CC)[C@H]1CCC[C@@H]1C[NH3+] 84214489 572514179 /nfs/dbraw/zinc/51/41/79/572514179.db2.gz MMEBEPPAVAAYNG-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCC[N@@H+](C)[C@H]1CCC[C@@H]1CN 84213961 572514208 /nfs/dbraw/zinc/51/42/08/572514208.db2.gz MDNREXSLIROLNB-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@H+](C)[C@H]1CCC[C@@H]1CN 84213961 572514214 /nfs/dbraw/zinc/51/42/14/572514214.db2.gz MDNREXSLIROLNB-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCN(C)[C@H]1CCC[C@@H]1C[NH3+] 84213961 572514216 /nfs/dbraw/zinc/51/42/16/572514216.db2.gz MDNREXSLIROLNB-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@@H+](CC)[C@@H]1CCC[C@@H]1CN 84214440 572514226 /nfs/dbraw/zinc/51/42/26/572514226.db2.gz LYQLZKUFSVGELZ-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCC[N@H+](CC)[C@@H]1CCC[C@@H]1CN 84214440 572514229 /nfs/dbraw/zinc/51/42/29/572514229.db2.gz LYQLZKUFSVGELZ-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCCN(CC)[C@@H]1CCC[C@@H]1C[NH3+] 84214440 572514235 /nfs/dbraw/zinc/51/42/35/572514235.db2.gz LYQLZKUFSVGELZ-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C=CC[NH2+][C@@H]1CCCC[C@@H]1CN 84215349 572514265 /nfs/dbraw/zinc/51/42/65/572514265.db2.gz FXDXSHJTRQOEFK-NXEZZACHSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCN[C@@H]1CCCC[C@@H]1C[NH3+] 84215349 572514268 /nfs/dbraw/zinc/51/42/68/572514268.db2.gz FXDXSHJTRQOEFK-NXEZZACHSA-N 1 3 168.284 1.280 10 30 ADEEHO C=CCCCC[NH2+]C1CC(N)C1 308046843 572516835 /nfs/dbraw/zinc/51/68/35/572516835.db2.gz PTWCPCDPXXBVLN-UHFFFAOYSA-N 1 3 168.284 1.422 10 30 ADEEHO C=CCCCCNC1CC([NH3+])C1 308046843 572516838 /nfs/dbraw/zinc/51/68/38/572516838.db2.gz PTWCPCDPXXBVLN-UHFFFAOYSA-N 1 3 168.284 1.422 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@H](CN)C1 307403588 572517745 /nfs/dbraw/zinc/51/77/45/572517745.db2.gz KJRLPNSKLRZUBA-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@H](CN)C1 307403588 572517749 /nfs/dbraw/zinc/51/77/49/572517749.db2.gz KJRLPNSKLRZUBA-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO C#CCCN1CCCC[C@H](C[NH3+])C1 307403588 572517755 /nfs/dbraw/zinc/51/77/55/572517755.db2.gz KJRLPNSKLRZUBA-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO C=C[C@@H]1CCCC[N@@H+]1CC(C)(C)N 307410387 572537359 /nfs/dbraw/zinc/53/73/59/572537359.db2.gz ORZFAAUNYRNANI-SNVBAGLBSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@@H]1CCCC[N@H+]1CC(C)(C)N 307410387 572537357 /nfs/dbraw/zinc/53/73/57/572537357.db2.gz ORZFAAUNYRNANI-SNVBAGLBSA-N 1 3 182.311 1.764 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@H]1CCC[C@@H](C)C1 84342794 572538257 /nfs/dbraw/zinc/53/82/57/572538257.db2.gz CJLWBBKNLNEHBI-GRYCIOLGSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@@H]1CCC[C@H](C)C1 84342799 572538291 /nfs/dbraw/zinc/53/82/91/572538291.db2.gz CJLWBBKNLNEHBI-QJPTWQEYSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@H]1CCC[C@H](C)C1 84342795 572538900 /nfs/dbraw/zinc/53/89/00/572538900.db2.gz CJLWBBKNLNEHBI-SDDRHHMPSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@H](C[NH3+])C1CCC(C)CC1 84339342 572539260 /nfs/dbraw/zinc/53/92/60/572539260.db2.gz SRVQIFVHBVQWGY-HTAVTVPLSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@@H]1CCC[C@@H](C)C1 84342796 572539641 /nfs/dbraw/zinc/53/96/41/572539641.db2.gz CJLWBBKNLNEHBI-IJLUTSLNSA-N 1 3 196.338 1.916 10 30 ADEEHO C=CCN[C@@H](C[NH3+])C1CCC(C)CC1 84339343 572540095 /nfs/dbraw/zinc/54/00/95/572540095.db2.gz SRVQIFVHBVQWGY-MCIGGMRASA-N 1 3 196.338 1.916 10 30 ADEEHO C=CC(C)(C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 307566158 572544223 /nfs/dbraw/zinc/54/42/23/572544223.db2.gz SGBDOVUYXMSMLG-QWRGUYRKSA-N 1 3 196.338 1.868 10 30 ADEEHO C#CCC[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 307586901 572543879 /nfs/dbraw/zinc/54/38/79/572543879.db2.gz RFWOCDLBPQWLEC-VXGBXAGGSA-N 1 3 192.306 1.071 10 30 ADEEHO C=CC(C)(C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 307566158 572544225 /nfs/dbraw/zinc/54/42/25/572544225.db2.gz SGBDOVUYXMSMLG-QWRGUYRKSA-N 1 3 196.338 1.868 10 30 ADEEHO C[NH+](C)CCCCCNCCC#N 238297535 572543349 /nfs/dbraw/zinc/54/33/49/572543349.db2.gz OFWRPJUZECEYSW-UHFFFAOYSA-N 1 3 183.299 1.222 10 30 ADEEHO C#CCC[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 307586901 572543883 /nfs/dbraw/zinc/54/38/83/572543883.db2.gz RFWOCDLBPQWLEC-VXGBXAGGSA-N 1 3 192.306 1.071 10 30 ADEEHO C#CCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307513772 572544080 /nfs/dbraw/zinc/54/40/80/572544080.db2.gz ZEZBDTFBMKPFTJ-SRVKXCTJSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C 307513772 572544083 /nfs/dbraw/zinc/54/40/83/572544083.db2.gz ZEZBDTFBMKPFTJ-SRVKXCTJSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307513772 572544087 /nfs/dbraw/zinc/54/40/87/572544087.db2.gz ZEZBDTFBMKPFTJ-SRVKXCTJSA-N 1 3 194.322 1.315 10 30 ADEEHO C=CC(C)(C)CN1CC[C@H]([NH3+])[C@@H](C)C1 307566158 572544228 /nfs/dbraw/zinc/54/42/28/572544228.db2.gz SGBDOVUYXMSMLG-QWRGUYRKSA-N 1 3 196.338 1.868 10 30 ADEEHO C#CCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307513775 572545637 /nfs/dbraw/zinc/54/56/37/572545637.db2.gz ZEZBDTFBMKPFTJ-WOPDTQHZSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C 307513775 572545643 /nfs/dbraw/zinc/54/56/43/572545643.db2.gz ZEZBDTFBMKPFTJ-WOPDTQHZSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307513775 572545648 /nfs/dbraw/zinc/54/56/48/572545648.db2.gz ZEZBDTFBMKPFTJ-WOPDTQHZSA-N 1 3 194.322 1.315 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCCC[C@H](CN)C1 307586825 572546601 /nfs/dbraw/zinc/54/66/01/572546601.db2.gz QVMZMBYMTLOZCB-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCCC[C@H](CN)C1 307586825 572546603 /nfs/dbraw/zinc/54/66/03/572546603.db2.gz QVMZMBYMTLOZCB-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@@H](C)N1CCCC[C@H](C[NH3+])C1 307586825 572546607 /nfs/dbraw/zinc/54/66/07/572546607.db2.gz QVMZMBYMTLOZCB-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO CCOC(=O)C(C#N)CC[NH2+]C(C)C 238305889 572546613 /nfs/dbraw/zinc/54/66/13/572546613.db2.gz UUTRKMZXEVCWBA-VIFPVBQESA-N 1 3 198.266 1.077 10 30 ADEEHO C=CCN1CC[C@@H]2C[N@H+](C)CC[C@H]21 307507237 572548105 /nfs/dbraw/zinc/54/81/05/572548105.db2.gz ZIZIFHQWSBTIKU-GHMZBOCLSA-N 1 3 180.295 1.198 10 30 ADEEHO C=CCN1CC[C@@H]2C[N@@H+](C)CC[C@H]21 307507237 572548108 /nfs/dbraw/zinc/54/81/08/572548108.db2.gz ZIZIFHQWSBTIKU-GHMZBOCLSA-N 1 3 180.295 1.198 10 30 ADEEHO C=CC[N@H+]1CC[C@@H]2CN(C)CC[C@H]21 307507237 572548111 /nfs/dbraw/zinc/54/81/11/572548111.db2.gz ZIZIFHQWSBTIKU-GHMZBOCLSA-N 1 3 180.295 1.198 10 30 ADEEHO C=CC[N@@H+]1CC[C@@H]2CN(C)CC[C@H]21 307507237 572548112 /nfs/dbraw/zinc/54/81/12/572548112.db2.gz ZIZIFHQWSBTIKU-GHMZBOCLSA-N 1 3 180.295 1.198 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@@H](CC(C)C)C1 307805941 572553663 /nfs/dbraw/zinc/55/36/63/572553663.db2.gz MVSKKYNCLZPBAS-LBPRGKRZSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@@H](CC(C)C)C1 307805941 572553669 /nfs/dbraw/zinc/55/36/69/572553669.db2.gz MVSKKYNCLZPBAS-LBPRGKRZSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@@H](CC(C)C)C1 307805941 572553672 /nfs/dbraw/zinc/55/36/72/572553672.db2.gz MVSKKYNCLZPBAS-LBPRGKRZSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@H](CC(C)C)C1 307805939 572555802 /nfs/dbraw/zinc/55/58/02/572555802.db2.gz MVSKKYNCLZPBAS-GFCCVEGCSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@H](CC(C)C)C1 307805939 572555808 /nfs/dbraw/zinc/55/58/08/572555808.db2.gz MVSKKYNCLZPBAS-GFCCVEGCSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@H](CC(C)C)C1 307805939 572555810 /nfs/dbraw/zinc/55/58/10/572555810.db2.gz MVSKKYNCLZPBAS-GFCCVEGCSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C1CCN(CC(C)=C2C[NH2+]C2)CC1 307590240 572556931 /nfs/dbraw/zinc/55/69/31/572556931.db2.gz BUALLMFAYRHUSP-UHFFFAOYSA-N 1 3 192.306 1.558 10 30 ADEEHO C=CCN1CC[C@@H]2C[N@H+](C)CC[C@@H]21 307507452 572558031 /nfs/dbraw/zinc/55/80/31/572558031.db2.gz ZIZIFHQWSBTIKU-MNOVXSKESA-N 1 3 180.295 1.198 10 30 ADEEHO C=CCN1CC[C@@H]2C[N@@H+](C)CC[C@@H]21 307507452 572558038 /nfs/dbraw/zinc/55/80/38/572558038.db2.gz ZIZIFHQWSBTIKU-MNOVXSKESA-N 1 3 180.295 1.198 10 30 ADEEHO C=CC[N@H+]1CC[C@@H]2CN(C)CC[C@@H]21 307507452 572558041 /nfs/dbraw/zinc/55/80/41/572558041.db2.gz ZIZIFHQWSBTIKU-MNOVXSKESA-N 1 3 180.295 1.198 10 30 ADEEHO C=CC[N@@H+]1CC[C@@H]2CN(C)CC[C@@H]21 307507452 572558047 /nfs/dbraw/zinc/55/80/47/572558047.db2.gz ZIZIFHQWSBTIKU-MNOVXSKESA-N 1 3 180.295 1.198 10 30 ADEEHO CN(C)CC#CCCCCC[NH3+] 238325384 572560531 /nfs/dbraw/zinc/56/05/31/572560531.db2.gz KTDYXQUZSCKVPK-UHFFFAOYSA-N 1 3 168.284 1.071 10 30 ADEEHO C#C[C@H](C)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 307519229 572560687 /nfs/dbraw/zinc/56/06/87/572560687.db2.gz JHJLJCWEVLBRLN-SRVKXCTJSA-N 1 3 192.306 1.069 10 30 ADEEHO C#C[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 307519229 572560691 /nfs/dbraw/zinc/56/06/91/572560691.db2.gz JHJLJCWEVLBRLN-SRVKXCTJSA-N 1 3 192.306 1.069 10 30 ADEEHO CC[C@H](CC#N)NCCCC[NH+](C)C 45697750 572560695 /nfs/dbraw/zinc/56/06/95/572560695.db2.gz JWMYXMZHHDNBQH-LLVKDONJSA-N 1 3 197.326 1.610 10 30 ADEEHO C#C[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 307519229 572560697 /nfs/dbraw/zinc/56/06/97/572560697.db2.gz JHJLJCWEVLBRLN-SRVKXCTJSA-N 1 3 192.306 1.069 10 30 ADEEHO C#CCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 307586900 572562399 /nfs/dbraw/zinc/56/23/99/572562399.db2.gz RFWOCDLBPQWLEC-RYUDHWBXSA-N 1 3 192.306 1.071 10 30 ADEEHO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 307586900 572562400 /nfs/dbraw/zinc/56/24/00/572562400.db2.gz RFWOCDLBPQWLEC-RYUDHWBXSA-N 1 3 192.306 1.071 10 30 ADEEHO C#CCCC[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 306178620 572564684 /nfs/dbraw/zinc/56/46/84/572564684.db2.gz HKJIENGSAKCSDQ-CNDDSTCGSA-N 1 3 192.306 1.354 10 30 ADEEHO C#CCCC[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 306178620 572564692 /nfs/dbraw/zinc/56/46/92/572564692.db2.gz HKJIENGSAKCSDQ-CNDDSTCGSA-N 1 3 192.306 1.354 10 30 ADEEHO C#CCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307513773 572568725 /nfs/dbraw/zinc/56/87/25/572568725.db2.gz ZEZBDTFBMKPFTJ-TUAOUCFPSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C 307513773 572568728 /nfs/dbraw/zinc/56/87/28/572568728.db2.gz ZEZBDTFBMKPFTJ-TUAOUCFPSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307513773 572568731 /nfs/dbraw/zinc/56/87/31/572568731.db2.gz ZEZBDTFBMKPFTJ-TUAOUCFPSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](C)N1C[C@H]2CCC[C@]2(C[NH3+])C1 307519234 572572070 /nfs/dbraw/zinc/57/20/70/572572070.db2.gz JHJLJCWEVLBRLN-TUAOUCFPSA-N 1 3 192.306 1.069 10 30 ADEEHO C#C[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 307519234 572572074 /nfs/dbraw/zinc/57/20/74/572572074.db2.gz JHJLJCWEVLBRLN-TUAOUCFPSA-N 1 3 192.306 1.069 10 30 ADEEHO C#C[C@H](C)[N@H+]1C[C@H]2CCC[C@]2(CN)C1 307519234 572572079 /nfs/dbraw/zinc/57/20/79/572572079.db2.gz JHJLJCWEVLBRLN-TUAOUCFPSA-N 1 3 192.306 1.069 10 30 ADEEHO C=C(CN)C[N@@H+]1CCCOC(C)(C)C1 306238985 572574859 /nfs/dbraw/zinc/57/48/59/572574859.db2.gz JDDVOSINNDBNGI-UHFFFAOYSA-N 1 3 198.310 1.002 10 30 ADEEHO C=C(CN)C[N@H+]1CCCOC(C)(C)C1 306238985 572574862 /nfs/dbraw/zinc/57/48/62/572574862.db2.gz JDDVOSINNDBNGI-UHFFFAOYSA-N 1 3 198.310 1.002 10 30 ADEEHO C#C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C(C)C 306249237 572576526 /nfs/dbraw/zinc/57/65/26/572576526.db2.gz ZXIBLLNUTPKMFX-SDDRHHMPSA-N 1 3 194.322 1.232 10 30 ADEEHO C=C(CC)C[N@H+]1CCCN[C@@H](C)C1 306273008 572580133 /nfs/dbraw/zinc/58/01/33/572580133.db2.gz ZADYNZOIZZLZRZ-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C#CCN1CCC2(CC[NH2+]CC2)CC1 306293519 572577380 /nfs/dbraw/zinc/57/73/80/572577380.db2.gz URKVJMLGRRMYBA-UHFFFAOYSA-N 1 3 192.306 1.085 10 30 ADEEHO C=C(CC)C[N@@H+]1CCCN[C@@H](C)C1 306273008 572580130 /nfs/dbraw/zinc/58/01/30/572580130.db2.gz ZADYNZOIZZLZRZ-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]12 306206654 572581747 /nfs/dbraw/zinc/58/17/47/572581747.db2.gz CIJHDLRLOHRWBJ-IJLUTSLNSA-N 1 3 194.322 1.635 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]12 306206654 572581749 /nfs/dbraw/zinc/58/17/49/572581749.db2.gz CIJHDLRLOHRWBJ-IJLUTSLNSA-N 1 3 194.322 1.635 10 30 ADEEHO C#C[C@H](C)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 307519221 572581819 /nfs/dbraw/zinc/58/18/19/572581819.db2.gz JHJLJCWEVLBRLN-QJPTWQEYSA-N 1 3 192.306 1.069 10 30 ADEEHO C#C[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 307519221 572581821 /nfs/dbraw/zinc/58/18/21/572581821.db2.gz JHJLJCWEVLBRLN-QJPTWQEYSA-N 1 3 192.306 1.069 10 30 ADEEHO C#C[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 307519221 572581824 /nfs/dbraw/zinc/58/18/24/572581824.db2.gz JHJLJCWEVLBRLN-QJPTWQEYSA-N 1 3 192.306 1.069 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCCC[C@@H](CN)C1 307586826 572583587 /nfs/dbraw/zinc/58/35/87/572583587.db2.gz QVMZMBYMTLOZCB-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCCC[C@@H](CN)C1 307586826 572583588 /nfs/dbraw/zinc/58/35/88/572583588.db2.gz QVMZMBYMTLOZCB-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@@H](C)N1CCCC[C@@H](C[NH3+])C1 307586826 572583593 /nfs/dbraw/zinc/58/35/93/572583593.db2.gz QVMZMBYMTLOZCB-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN1CC[C@H]2C[N@H+](C)CC[C@H]21 307507454 572588976 /nfs/dbraw/zinc/58/89/76/572588976.db2.gz ZIZIFHQWSBTIKU-WDEREUQCSA-N 1 3 180.295 1.198 10 30 ADEEHO C=CCN1CC[C@H]2C[N@@H+](C)CC[C@H]21 307507454 572588978 /nfs/dbraw/zinc/58/89/78/572588978.db2.gz ZIZIFHQWSBTIKU-WDEREUQCSA-N 1 3 180.295 1.198 10 30 ADEEHO C=CC[N@H+]1CC[C@H]2CN(C)CC[C@H]21 307507454 572588983 /nfs/dbraw/zinc/58/89/83/572588983.db2.gz ZIZIFHQWSBTIKU-WDEREUQCSA-N 1 3 180.295 1.198 10 30 ADEEHO C=CC[N@@H+]1CC[C@H]2CN(C)CC[C@H]21 307507454 572588986 /nfs/dbraw/zinc/58/89/86/572588986.db2.gz ZIZIFHQWSBTIKU-WDEREUQCSA-N 1 3 180.295 1.198 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 306206699 572589277 /nfs/dbraw/zinc/58/92/77/572589277.db2.gz CIJHDLRLOHRWBJ-UTUOFQBUSA-N 1 3 194.322 1.635 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 306206699 572589279 /nfs/dbraw/zinc/58/92/79/572589279.db2.gz CIJHDLRLOHRWBJ-UTUOFQBUSA-N 1 3 194.322 1.635 10 30 ADEEHO C=CC(C)(C)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 307566152 572589930 /nfs/dbraw/zinc/58/99/30/572589930.db2.gz SGBDOVUYXMSMLG-GHMZBOCLSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC(C)(C)C[N@H+]1CC[C@@H](N)[C@H](C)C1 307566152 572589934 /nfs/dbraw/zinc/58/99/34/572589934.db2.gz SGBDOVUYXMSMLG-GHMZBOCLSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC(C)(C)CN1CC[C@@H]([NH3+])[C@H](C)C1 307566152 572589940 /nfs/dbraw/zinc/58/99/40/572589940.db2.gz SGBDOVUYXMSMLG-GHMZBOCLSA-N 1 3 196.338 1.868 10 30 ADEEHO C#CCCC[N@H+]1CCCC[C@@H]1CCN 160976934 572590662 /nfs/dbraw/zinc/59/06/62/572590662.db2.gz SECXJVNCRWDUQV-GFCCVEGCSA-N 1 3 194.322 1.603 10 30 ADEEHO C#CCCC[N@@H+]1CCCC[C@@H]1CCN 160976934 572590668 /nfs/dbraw/zinc/59/06/68/572590668.db2.gz SECXJVNCRWDUQV-GFCCVEGCSA-N 1 3 194.322 1.603 10 30 ADEEHO C#CCC[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 307586899 572591849 /nfs/dbraw/zinc/59/18/49/572591849.db2.gz RFWOCDLBPQWLEC-NWDGAFQWSA-N 1 3 192.306 1.071 10 30 ADEEHO C#CCC[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 307586899 572591855 /nfs/dbraw/zinc/59/18/55/572591855.db2.gz RFWOCDLBPQWLEC-NWDGAFQWSA-N 1 3 192.306 1.071 10 30 ADEEHO CC#CCC[N@@H+]1CCCC[C@H](CN)C1 306214033 572595021 /nfs/dbraw/zinc/59/50/21/572595021.db2.gz XXLOJGKZLBJALU-GFCCVEGCSA-N 1 3 194.322 1.461 10 30 ADEEHO CC#CCC[N@H+]1CCCC[C@H](CN)C1 306214033 572595025 /nfs/dbraw/zinc/59/50/25/572595025.db2.gz XXLOJGKZLBJALU-GFCCVEGCSA-N 1 3 194.322 1.461 10 30 ADEEHO CC#CCCN1CCCC[C@H](C[NH3+])C1 306214033 572595029 /nfs/dbraw/zinc/59/50/29/572595029.db2.gz XXLOJGKZLBJALU-GFCCVEGCSA-N 1 3 194.322 1.461 10 30 ADEEHO C#CCCCC[NH2+]CCCNCCC 114998345 572596557 /nfs/dbraw/zinc/59/65/57/572596557.db2.gz VVQNONGUJCDZDM-UHFFFAOYSA-N 1 3 196.338 1.769 10 30 ADEEHO C#CCCCCNCCC[NH2+]CCC 114998345 572596563 /nfs/dbraw/zinc/59/65/63/572596563.db2.gz VVQNONGUJCDZDM-UHFFFAOYSA-N 1 3 196.338 1.769 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 306206683 572596992 /nfs/dbraw/zinc/59/69/92/572596992.db2.gz CIJHDLRLOHRWBJ-TUAOUCFPSA-N 1 3 194.322 1.635 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 306206683 572596996 /nfs/dbraw/zinc/59/69/96/572596996.db2.gz CIJHDLRLOHRWBJ-TUAOUCFPSA-N 1 3 194.322 1.635 10 30 ADEEHO C=C(CC)C[N@@H+]1CCCN[C@H](C)C1 306273007 572598264 /nfs/dbraw/zinc/59/82/64/572598264.db2.gz ZADYNZOIZZLZRZ-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=C(CC)C[N@H+]1CCCN[C@H](C)C1 306273007 572598269 /nfs/dbraw/zinc/59/82/69/572598269.db2.gz ZADYNZOIZZLZRZ-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCCC[C@@H](CN)C1 307586827 572600059 /nfs/dbraw/zinc/60/00/59/572600059.db2.gz QVMZMBYMTLOZCB-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCCC[C@@H](CN)C1 307586827 572600061 /nfs/dbraw/zinc/60/00/61/572600061.db2.gz QVMZMBYMTLOZCB-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@H](C)N1CCCC[C@@H](C[NH3+])C1 307586827 572600065 /nfs/dbraw/zinc/60/00/65/572600065.db2.gz QVMZMBYMTLOZCB-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)[C@@H]1CC[C@](C)(N)[C@H]([NH3+])C1 306302162 572600084 /nfs/dbraw/zinc/60/00/84/572600084.db2.gz YSRYTSMGSHUDCE-BBBLOLIVSA-N 1 3 168.284 1.407 10 30 ADEEHO C#CCC[N@H+]1C[C@H]2CCC[C@]2(CN)C1 307586898 572600617 /nfs/dbraw/zinc/60/06/17/572600617.db2.gz RFWOCDLBPQWLEC-NEPJUHHUSA-N 1 3 192.306 1.071 10 30 ADEEHO C#CCC[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 307586898 572600622 /nfs/dbraw/zinc/60/06/22/572600622.db2.gz RFWOCDLBPQWLEC-NEPJUHHUSA-N 1 3 192.306 1.071 10 30 ADEEHO CC#CCC[N@@H+]1C[C@H](C)[C@](C)(CN)C1 306322263 572600886 /nfs/dbraw/zinc/60/08/86/572600886.db2.gz YLEMZVBDSSOYET-NWDGAFQWSA-N 1 3 194.322 1.317 10 30 ADEEHO CC#CCC[N@H+]1C[C@H](C)[C@](C)(CN)C1 306322263 572600889 /nfs/dbraw/zinc/60/08/89/572600889.db2.gz YLEMZVBDSSOYET-NWDGAFQWSA-N 1 3 194.322 1.317 10 30 ADEEHO C=CC(C)(C)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 307566161 572605203 /nfs/dbraw/zinc/60/52/03/572605203.db2.gz SGBDOVUYXMSMLG-WDEREUQCSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC(C)(C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 307566155 572602272 /nfs/dbraw/zinc/60/22/72/572602272.db2.gz SGBDOVUYXMSMLG-MNOVXSKESA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC(C)(C)C[N@H+]1CC[C@H](N)[C@H](C)C1 307566155 572602276 /nfs/dbraw/zinc/60/22/76/572602276.db2.gz SGBDOVUYXMSMLG-MNOVXSKESA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC(C)(C)CN1CC[C@H]([NH3+])[C@H](C)C1 307566155 572602280 /nfs/dbraw/zinc/60/22/80/572602280.db2.gz SGBDOVUYXMSMLG-MNOVXSKESA-N 1 3 196.338 1.868 10 30 ADEEHO C#CCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307513774 572604788 /nfs/dbraw/zinc/60/47/88/572604788.db2.gz ZEZBDTFBMKPFTJ-UTUOFQBUSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C 307513774 572604791 /nfs/dbraw/zinc/60/47/91/572604791.db2.gz ZEZBDTFBMKPFTJ-UTUOFQBUSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307513774 572604794 /nfs/dbraw/zinc/60/47/94/572604794.db2.gz ZEZBDTFBMKPFTJ-UTUOFQBUSA-N 1 3 194.322 1.315 10 30 ADEEHO C=CC(C)(C)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 307566161 572605209 /nfs/dbraw/zinc/60/52/09/572605209.db2.gz SGBDOVUYXMSMLG-WDEREUQCSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CC(C)(C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 307566161 572605212 /nfs/dbraw/zinc/60/52/12/572605212.db2.gz SGBDOVUYXMSMLG-WDEREUQCSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CCN1C[C@@H]2CCC[C@@]2(C[NH3+])C1 306354651 572605675 /nfs/dbraw/zinc/60/56/75/572605675.db2.gz RFEFBRAJEPPIFF-WDEREUQCSA-N 1 3 180.295 1.233 10 30 ADEEHO C=CC[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 306354651 572605681 /nfs/dbraw/zinc/60/56/81/572605681.db2.gz RFEFBRAJEPPIFF-WDEREUQCSA-N 1 3 180.295 1.233 10 30 ADEEHO C=CC[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 306354651 572605685 /nfs/dbraw/zinc/60/56/85/572605685.db2.gz RFEFBRAJEPPIFF-WDEREUQCSA-N 1 3 180.295 1.233 10 30 ADEEHO C#C[C@H](C)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 307519225 572608347 /nfs/dbraw/zinc/60/83/47/572608347.db2.gz JHJLJCWEVLBRLN-SDDRHHMPSA-N 1 3 192.306 1.069 10 30 ADEEHO C#C[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 307519225 572608349 /nfs/dbraw/zinc/60/83/49/572608349.db2.gz JHJLJCWEVLBRLN-SDDRHHMPSA-N 1 3 192.306 1.069 10 30 ADEEHO C#C[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 307519225 572608353 /nfs/dbraw/zinc/60/83/53/572608353.db2.gz JHJLJCWEVLBRLN-SDDRHHMPSA-N 1 3 192.306 1.069 10 30 ADEEHO CC#CCC[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 306322271 572608354 /nfs/dbraw/zinc/60/83/54/572608354.db2.gz YLEMZVBDSSOYET-RYUDHWBXSA-N 1 3 194.322 1.317 10 30 ADEEHO CC#CCC[N@H+]1C[C@H](C)[C@@](C)(CN)C1 306322271 572608357 /nfs/dbraw/zinc/60/83/57/572608357.db2.gz YLEMZVBDSSOYET-RYUDHWBXSA-N 1 3 194.322 1.317 10 30 ADEEHO C=CCN1C[C@H]2CCC[C@@]2(C[NH3+])C1 306354647 572610758 /nfs/dbraw/zinc/61/07/58/572610758.db2.gz RFEFBRAJEPPIFF-GHMZBOCLSA-N 1 3 180.295 1.233 10 30 ADEEHO C=CC[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 306354647 572610761 /nfs/dbraw/zinc/61/07/61/572610761.db2.gz RFEFBRAJEPPIFF-GHMZBOCLSA-N 1 3 180.295 1.233 10 30 ADEEHO C=CC[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 306354647 572610765 /nfs/dbraw/zinc/61/07/65/572610765.db2.gz RFEFBRAJEPPIFF-GHMZBOCLSA-N 1 3 180.295 1.233 10 30 ADEEHO C=C(CN)C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307569144 572612673 /nfs/dbraw/zinc/61/26/73/572612673.db2.gz VOQGXHDPZXAJRD-AOOOYVTPSA-N 1 3 180.295 1.089 10 30 ADEEHO C=C(CN)C[N@@H+]1C[C@H]2[C@@H](C1)C2(C)C 307569144 572612675 /nfs/dbraw/zinc/61/26/75/572612675.db2.gz VOQGXHDPZXAJRD-AOOOYVTPSA-N 1 3 180.295 1.089 10 30 ADEEHO C=C(C[NH3+])CN1C[C@H]2[C@@H](C1)C2(C)C 307569144 572612677 /nfs/dbraw/zinc/61/26/77/572612677.db2.gz VOQGXHDPZXAJRD-AOOOYVTPSA-N 1 3 180.295 1.089 10 30 ADEEHO C=CCCC[NH2+]CC(C)(C)CN 308075075 572615678 /nfs/dbraw/zinc/61/56/78/572615678.db2.gz DAZPPCZNCBUWDO-UHFFFAOYSA-N 1 3 170.300 1.527 10 30 ADEEHO C=C(CN)C[N@@H+]1CCC2(CCCC2)C1 306329585 572616773 /nfs/dbraw/zinc/61/67/73/572616773.db2.gz NSSZWPFHOCSKBI-UHFFFAOYSA-N 1 3 194.322 1.767 10 30 ADEEHO C=C(CN)C[N@H+]1CCC2(CCCC2)C1 306329585 572616778 /nfs/dbraw/zinc/61/67/78/572616778.db2.gz NSSZWPFHOCSKBI-UHFFFAOYSA-N 1 3 194.322 1.767 10 30 ADEEHO C=C(C[NH3+])CN1CCC2(CCCC2)C1 306329585 572616783 /nfs/dbraw/zinc/61/67/83/572616783.db2.gz NSSZWPFHOCSKBI-UHFFFAOYSA-N 1 3 194.322 1.767 10 30 ADEEHO C=CCN1C[C@H]2CCC[C@]2(C[NH3+])C1 306354649 572620759 /nfs/dbraw/zinc/62/07/59/572620759.db2.gz RFEFBRAJEPPIFF-MNOVXSKESA-N 1 3 180.295 1.233 10 30 ADEEHO C=CC[N@H+]1C[C@H]2CCC[C@]2(CN)C1 306354649 572620763 /nfs/dbraw/zinc/62/07/63/572620763.db2.gz RFEFBRAJEPPIFF-MNOVXSKESA-N 1 3 180.295 1.233 10 30 ADEEHO C=CC[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 306354649 572620766 /nfs/dbraw/zinc/62/07/66/572620766.db2.gz RFEFBRAJEPPIFF-MNOVXSKESA-N 1 3 180.295 1.233 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 307606866 572634417 /nfs/dbraw/zinc/63/44/17/572634417.db2.gz FADTWIYJZIBOCV-NEPJUHHUSA-N 1 3 194.322 1.623 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H]2CCC[C@]2(CN)C1 307606866 572634419 /nfs/dbraw/zinc/63/44/19/572634419.db2.gz FADTWIYJZIBOCV-NEPJUHHUSA-N 1 3 194.322 1.623 10 30 ADEEHO C#C[C@](C)(CC)N1CC[C@H]([NH3+])[C@@H](C)C1 307619726 572634984 /nfs/dbraw/zinc/63/49/84/572634984.db2.gz ZAKISIMMDQGTQX-SDDRHHMPSA-N 1 3 194.322 1.457 10 30 ADEEHO CC#CCCN1CC[C@](C)(C[NH3+])C1 307605513 572636774 /nfs/dbraw/zinc/63/67/74/572636774.db2.gz YNSNLGGXBKMTND-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO CC#CCC[N@@H+]1CC[C@](C)(CN)C1 307605513 572636780 /nfs/dbraw/zinc/63/67/80/572636780.db2.gz YNSNLGGXBKMTND-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO CC#CCC[N@H+]1CC[C@](C)(CN)C1 307605513 572636784 /nfs/dbraw/zinc/63/67/84/572636784.db2.gz YNSNLGGXBKMTND-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO C=CCN[C@H](C[NH3+])[C@@H](C)C(C)C 308083887 572637551 /nfs/dbraw/zinc/63/75/51/572637551.db2.gz LWVNNOCOHSJPTP-VHSXEESVSA-N 1 3 170.300 1.381 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C 307608505 572637995 /nfs/dbraw/zinc/63/79/95/572637995.db2.gz DJDNGLMAWJJIDJ-UTLUCORTSA-N 1 3 168.284 1.149 10 30 ADEEHO C=C[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 307608505 572637997 /nfs/dbraw/zinc/63/79/97/572637997.db2.gz DJDNGLMAWJJIDJ-UTLUCORTSA-N 1 3 168.284 1.149 10 30 ADEEHO C=C(CC)C[NH2+]C[C@H]1CCN(CC)C1 85057559 572640072 /nfs/dbraw/zinc/64/00/72/572640072.db2.gz WXVBQLQZWMSGPK-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(CC)CNC[C@H]1CC[N@@H+](CC)C1 85057559 572640075 /nfs/dbraw/zinc/64/00/75/572640075.db2.gz WXVBQLQZWMSGPK-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(CC)CNC[C@H]1CC[N@H+](CC)C1 85057559 572640078 /nfs/dbraw/zinc/64/00/78/572640078.db2.gz WXVBQLQZWMSGPK-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C#C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C 301005706 572640135 /nfs/dbraw/zinc/64/01/35/572640135.db2.gz XWJZVHRIRWWKOL-UTUOFQBUSA-N 1 3 194.322 1.504 10 30 ADEEHO C=C(CC)CNC[C@H]1CC[N@H+](C)C1 85057569 572640540 /nfs/dbraw/zinc/64/05/40/572640540.db2.gz DOFHPUJHDVDOSY-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(CC)CNC[C@H]1CC[N@@H+](C)C1 85057569 572640544 /nfs/dbraw/zinc/64/05/44/572640544.db2.gz DOFHPUJHDVDOSY-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=CCN[C@@H](C[NH3+])[C@H](C)C(C)C 308084083 572640556 /nfs/dbraw/zinc/64/05/56/572640556.db2.gz LWVNNOCOHSJPTP-ZJUUUORDSA-N 1 3 170.300 1.381 10 30 ADEEHO C=CCN[C@@H](C[NH3+])[C@@H](C)C(C)C 308083885 572640634 /nfs/dbraw/zinc/64/06/34/572640634.db2.gz LWVNNOCOHSJPTP-UWVGGRQHSA-N 1 3 170.300 1.381 10 30 ADEEHO C=C(CC)CN[C@H](C)CC[NH+](C)C 85058047 572640703 /nfs/dbraw/zinc/64/07/03/572640703.db2.gz FMMHOECYRLZHGY-LLVKDONJSA-N 1 3 184.327 1.882 10 30 ADEEHO C=C(CC)C[NH2+]C[C@@H]1CCN(CC)C1 85057557 572641409 /nfs/dbraw/zinc/64/14/09/572641409.db2.gz WXVBQLQZWMSGPK-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(CC)CNC[C@@H]1CC[N@@H+](CC)C1 85057557 572641412 /nfs/dbraw/zinc/64/14/12/572641412.db2.gz WXVBQLQZWMSGPK-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(CC)CNC[C@@H]1CC[N@H+](CC)C1 85057557 572641414 /nfs/dbraw/zinc/64/14/14/572641414.db2.gz WXVBQLQZWMSGPK-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(CC)CN[C@@H](C)CC[NH+](C)C 85058044 572642045 /nfs/dbraw/zinc/64/20/45/572642045.db2.gz FMMHOECYRLZHGY-NSHDSACASA-N 1 3 184.327 1.882 10 30 ADEEHO C=C(CC)CNC[C@@H]1CC[N@H+](C)C1 85057565 572642061 /nfs/dbraw/zinc/64/20/61/572642061.db2.gz DOFHPUJHDVDOSY-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(CC)CNC[C@@H]1CC[N@@H+](C)C1 85057565 572642065 /nfs/dbraw/zinc/64/20/65/572642065.db2.gz DOFHPUJHDVDOSY-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=CCC[N@@H+](C)C[C@H](N)CC 307852665 572647611 /nfs/dbraw/zinc/64/76/11/572647611.db2.gz BBSUTZKSOKBIGL-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=C(CC)CN1CC[C@@H](C[NH3+])C1 85060356 572643186 /nfs/dbraw/zinc/64/31/86/572643186.db2.gz UKJAYBAATZEZRB-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CC)C[N@@H+]1CC[C@@H](CN)C1 85060356 572643191 /nfs/dbraw/zinc/64/31/91/572643191.db2.gz UKJAYBAATZEZRB-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CC)C[N@H+]1CC[C@@H](CN)C1 85060356 572643195 /nfs/dbraw/zinc/64/31/95/572643195.db2.gz UKJAYBAATZEZRB-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CC)CN1CCC[C@H](C[NH3+])C1 85060343 572644056 /nfs/dbraw/zinc/64/40/56/572644056.db2.gz SQDFPNJEJIPEIY-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(CC)CN1CC[C@H](C[NH3+])C1 85060353 572644164 /nfs/dbraw/zinc/64/41/64/572644164.db2.gz UKJAYBAATZEZRB-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CC)C[N@@H+]1CC[C@H](CN)C1 85060353 572644166 /nfs/dbraw/zinc/64/41/66/572644166.db2.gz UKJAYBAATZEZRB-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CC)C[N@H+]1CC[C@H](CN)C1 85060353 572644168 /nfs/dbraw/zinc/64/41/68/572644168.db2.gz UKJAYBAATZEZRB-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CC)CN1CC[C@H](C[NH2+]C)C1 85060403 572644226 /nfs/dbraw/zinc/64/42/26/572644226.db2.gz UKGMURYAQMKWCB-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(CC)CN1CCC[C@@H](C[NH3+])C1 85060345 572644298 /nfs/dbraw/zinc/64/42/98/572644298.db2.gz SQDFPNJEJIPEIY-NSHDSACASA-N 1 3 182.311 1.623 10 30 ADEEHO C#C[C@](C)(CC)N1CC[C@H]([NH3+])[C@H](C)C1 307619723 572644725 /nfs/dbraw/zinc/64/47/25/572644725.db2.gz ZAKISIMMDQGTQX-GRYCIOLGSA-N 1 3 194.322 1.457 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 307606868 572645025 /nfs/dbraw/zinc/64/50/25/572645025.db2.gz FADTWIYJZIBOCV-RYUDHWBXSA-N 1 3 194.322 1.623 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 307606868 572645029 /nfs/dbraw/zinc/64/50/29/572645029.db2.gz FADTWIYJZIBOCV-RYUDHWBXSA-N 1 3 194.322 1.623 10 30 ADEEHO C=C(CC)CN1CC[C@@H](C[NH2+]C)C1 85060407 572645427 /nfs/dbraw/zinc/64/54/27/572645427.db2.gz UKGMURYAQMKWCB-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(CC)C[N@H+](C)C1CCNCC1 85060285 572646145 /nfs/dbraw/zinc/64/61/45/572646145.db2.gz SAQPTSMNXAZCLX-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=C(CC)C[N@@H+](C)C1CCNCC1 85060285 572646150 /nfs/dbraw/zinc/64/61/50/572646150.db2.gz SAQPTSMNXAZCLX-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCC[N@H+](C)C[C@H](N)CC 307852665 572647615 /nfs/dbraw/zinc/64/76/15/572647615.db2.gz BBSUTZKSOKBIGL-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=CCC[N@@H+](C)C[C@@H](N)CC 307852671 572649408 /nfs/dbraw/zinc/64/94/08/572649408.db2.gz BBSUTZKSOKBIGL-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C=CCC[N@H+](C)C[C@@H](N)CC 307852671 572649410 /nfs/dbraw/zinc/64/94/10/572649410.db2.gz BBSUTZKSOKBIGL-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C#C[C@H](CC)N1C[C@@H](C)[C@@](C)(C[NH3+])C1 306421887 572649532 /nfs/dbraw/zinc/64/95/32/572649532.db2.gz DKAKMWWVADQODS-UTUOFQBUSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](CC)[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 306421887 572649534 /nfs/dbraw/zinc/64/95/34/572649534.db2.gz DKAKMWWVADQODS-UTUOFQBUSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](CC)[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 306421887 572649537 /nfs/dbraw/zinc/64/95/37/572649537.db2.gz DKAKMWWVADQODS-UTUOFQBUSA-N 1 3 194.322 1.315 10 30 ADEEHO CC#CCCN1CC[C@@H]([NH3+])C(C)(C)C1 306436013 572649997 /nfs/dbraw/zinc/64/99/97/572649997.db2.gz GCOFGYBNOZIWFL-LLVKDONJSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@](C)(CC)N1CC[C@@H]([NH3+])C[C@@H]1C 307605780 572654199 /nfs/dbraw/zinc/65/41/99/572654199.db2.gz ZHCKLCAOFBKUKM-QJPTWQEYSA-N 1 3 194.322 1.600 10 30 ADEEHO C=CCCNCC(C)(C)[NH2+]C 307861753 572654507 /nfs/dbraw/zinc/65/45/07/572654507.db2.gz HFYHKJSERTXHCU-UHFFFAOYSA-N 1 3 156.273 1.150 10 30 ADEEHO C#C[C@H](CC)N1C[C@@H](C)[C@](C)(C[NH3+])C1 306421879 572656518 /nfs/dbraw/zinc/65/65/18/572656518.db2.gz DKAKMWWVADQODS-IJLUTSLNSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](CC)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 306421879 572656523 /nfs/dbraw/zinc/65/65/23/572656523.db2.gz DKAKMWWVADQODS-IJLUTSLNSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](CC)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 306421879 572656525 /nfs/dbraw/zinc/65/65/25/572656525.db2.gz DKAKMWWVADQODS-IJLUTSLNSA-N 1 3 194.322 1.315 10 30 ADEEHO C=C(C)C[N@@H+]1CC[C@@](C)(CN)C1 307662636 572659456 /nfs/dbraw/zinc/65/94/56/572659456.db2.gz YGSBALBNXFMCSL-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(C)CN1CC[C@@](C)(C[NH3+])C1 307662636 572659451 /nfs/dbraw/zinc/65/94/51/572659451.db2.gz YGSBALBNXFMCSL-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(C)C[N@H+]1CC[C@@](C)(CN)C1 307662636 572659460 /nfs/dbraw/zinc/65/94/60/572659460.db2.gz YGSBALBNXFMCSL-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C#CCC[N@@H+](C)[C@H]1CCCC[C@H]1N 306454272 572663992 /nfs/dbraw/zinc/66/39/92/572663992.db2.gz ZNVHFRFNWQKBLC-MNOVXSKESA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@H+](C)[C@H]1CCCC[C@H]1N 306454272 572663993 /nfs/dbraw/zinc/66/39/93/572663993.db2.gz ZNVHFRFNWQKBLC-MNOVXSKESA-N 1 3 180.295 1.211 10 30 ADEEHO C#C[C@H](CC)N1C[C@H](C)[C@@](C)(C[NH3+])C1 306421885 572667487 /nfs/dbraw/zinc/66/74/87/572667487.db2.gz DKAKMWWVADQODS-TUAOUCFPSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](CC)[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 306421885 572667490 /nfs/dbraw/zinc/66/74/90/572667490.db2.gz DKAKMWWVADQODS-TUAOUCFPSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](CC)[N@H+]1C[C@H](C)[C@@](C)(CN)C1 306421885 572667496 /nfs/dbraw/zinc/66/74/96/572667496.db2.gz DKAKMWWVADQODS-TUAOUCFPSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCC[N@@H+](C)[C@@H]1CCCC[C@H]1N 306454271 572667632 /nfs/dbraw/zinc/66/76/32/572667632.db2.gz ZNVHFRFNWQKBLC-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@H+](C)[C@@H]1CCCC[C@H]1N 306454271 572667637 /nfs/dbraw/zinc/66/76/37/572667637.db2.gz ZNVHFRFNWQKBLC-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO C#C[C@H](C)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307658914 572667900 /nfs/dbraw/zinc/66/79/00/572667900.db2.gz DOWKXAMJFPUABF-RHYQMDGZSA-N 1 3 194.322 1.313 10 30 ADEEHO C#C[C@H](CC)N1C[C@H](C)[C@](C)(C[NH3+])C1 306421883 572668608 /nfs/dbraw/zinc/66/86/08/572668608.db2.gz DKAKMWWVADQODS-QJPTWQEYSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](CC)[N@@H+]1C[C@H](C)[C@](C)(CN)C1 306421883 572668611 /nfs/dbraw/zinc/66/86/11/572668611.db2.gz DKAKMWWVADQODS-QJPTWQEYSA-N 1 3 194.322 1.315 10 30 ADEEHO C#C[C@H](CC)[N@H+]1C[C@H](C)[C@](C)(CN)C1 306421883 572668616 /nfs/dbraw/zinc/66/86/16/572668616.db2.gz DKAKMWWVADQODS-QJPTWQEYSA-N 1 3 194.322 1.315 10 30 ADEEHO C=C(CC)C[N@@H+]1CCNC[C@@H](C)C1 307600736 572668797 /nfs/dbraw/zinc/66/87/97/572668797.db2.gz RJGUALRWDJVZEP-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(CC)C[N@H+]1CCNC[C@@H](C)C1 307600736 572668800 /nfs/dbraw/zinc/66/88/00/572668800.db2.gz RJGUALRWDJVZEP-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C#CCCC[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299893590 572668971 /nfs/dbraw/zinc/66/89/71/572668971.db2.gz MRJCBCJERVXCTJ-RYUDHWBXSA-N 1 3 192.306 1.084 10 30 ADEEHO C#CCCC[N@H+]1C[C@@H]2CCCN[C@H]2C1 299893590 572668975 /nfs/dbraw/zinc/66/89/75/572668975.db2.gz MRJCBCJERVXCTJ-RYUDHWBXSA-N 1 3 192.306 1.084 10 30 ADEEHO C=CCC[N@H+]1C[C@H]2CCCN[C@H]2C1 299893286 572669264 /nfs/dbraw/zinc/66/92/64/572669264.db2.gz JUPLZYUWDJAYLU-MNOVXSKESA-N 1 3 180.295 1.246 10 30 ADEEHO C=CCCC[N@@H+]1C[C@H]2CCCN[C@H]2C1 299893030 572669211 /nfs/dbraw/zinc/66/92/11/572669211.db2.gz GWYWVAYXMZIDQN-NEPJUHHUSA-N 1 3 194.322 1.636 10 30 ADEEHO C=CCCC[N@H+]1C[C@H]2CCCN[C@H]2C1 299893030 572669214 /nfs/dbraw/zinc/66/92/14/572669214.db2.gz GWYWVAYXMZIDQN-NEPJUHHUSA-N 1 3 194.322 1.636 10 30 ADEEHO C=CCC[N@@H+]1C[C@H]2CCCN[C@H]2C1 299893286 572669257 /nfs/dbraw/zinc/66/92/57/572669257.db2.gz JUPLZYUWDJAYLU-MNOVXSKESA-N 1 3 180.295 1.246 10 30 ADEEHO C=CCCC[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299893031 572670342 /nfs/dbraw/zinc/67/03/42/572670342.db2.gz GWYWVAYXMZIDQN-RYUDHWBXSA-N 1 3 194.322 1.636 10 30 ADEEHO C=CCCC[N@H+]1C[C@@H]2CCCN[C@H]2C1 299893031 572670346 /nfs/dbraw/zinc/67/03/46/572670346.db2.gz GWYWVAYXMZIDQN-RYUDHWBXSA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CC[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299892975 572671414 /nfs/dbraw/zinc/67/14/14/572671414.db2.gz GDLKPJHFNDQITR-RYUDHWBXSA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CC[N@H+]1C[C@@H]2CCCN[C@H]2C1 299892975 572671417 /nfs/dbraw/zinc/67/14/17/572671417.db2.gz GDLKPJHFNDQITR-RYUDHWBXSA-N 1 3 194.322 1.636 10 30 ADEEHO C=CCC[N@@H+]1C[C@@H]2CCCN[C@H]2C1 299893287 572671850 /nfs/dbraw/zinc/67/18/50/572671850.db2.gz JUPLZYUWDJAYLU-QWRGUYRKSA-N 1 3 180.295 1.246 10 30 ADEEHO C=CCC[N@H+]1C[C@@H]2CCCN[C@H]2C1 299893287 572671855 /nfs/dbraw/zinc/67/18/55/572671855.db2.gz JUPLZYUWDJAYLU-QWRGUYRKSA-N 1 3 180.295 1.246 10 30 ADEEHO C=C(C)CC[N@@H+]1C[C@H]2CCCN[C@H]2C1 299892974 572671951 /nfs/dbraw/zinc/67/19/51/572671951.db2.gz GDLKPJHFNDQITR-NEPJUHHUSA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CC[N@H+]1C[C@H]2CCCN[C@H]2C1 299892974 572671957 /nfs/dbraw/zinc/67/19/57/572671957.db2.gz GDLKPJHFNDQITR-NEPJUHHUSA-N 1 3 194.322 1.636 10 30 ADEEHO C#CCCC[N@@H+]1C[C@H]2CCCN[C@H]2C1 299893589 572672145 /nfs/dbraw/zinc/67/21/45/572672145.db2.gz MRJCBCJERVXCTJ-NEPJUHHUSA-N 1 3 192.306 1.084 10 30 ADEEHO C#CCCC[N@H+]1C[C@H]2CCCN[C@H]2C1 299893589 572672149 /nfs/dbraw/zinc/67/21/49/572672149.db2.gz MRJCBCJERVXCTJ-NEPJUHHUSA-N 1 3 192.306 1.084 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 307606869 572675308 /nfs/dbraw/zinc/67/53/08/572675308.db2.gz FADTWIYJZIBOCV-VXGBXAGGSA-N 1 3 194.322 1.623 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 307606869 572675314 /nfs/dbraw/zinc/67/53/14/572675314.db2.gz FADTWIYJZIBOCV-VXGBXAGGSA-N 1 3 194.322 1.623 10 30 ADEEHO C=CCCN(C)[C@H](C)CC[NH3+] 307868821 572679095 /nfs/dbraw/zinc/67/90/95/572679095.db2.gz ICGRCLZHBRNXEI-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C#C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C(C)C 301005705 572676767 /nfs/dbraw/zinc/67/67/67/572676767.db2.gz XWJZVHRIRWWKOL-TUAOUCFPSA-N 1 3 194.322 1.504 10 30 ADEEHO C#C[C@](C)(CC)N1CC[C@@H]([NH3+])[C@@H](C)C1 307619725 572677184 /nfs/dbraw/zinc/67/71/84/572677184.db2.gz ZAKISIMMDQGTQX-QJPTWQEYSA-N 1 3 194.322 1.457 10 30 ADEEHO C=CCC[N@H+](C)[C@H](C)CCN 307868821 572679092 /nfs/dbraw/zinc/67/90/92/572679092.db2.gz ICGRCLZHBRNXEI-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=CCC[N@@H+](C)[C@@H](C)CCN 307868825 572680012 /nfs/dbraw/zinc/68/00/12/572680012.db2.gz ICGRCLZHBRNXEI-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C=CCC[N@H+](C)[C@@H](C)CCN 307868825 572680015 /nfs/dbraw/zinc/68/00/15/572680015.db2.gz ICGRCLZHBRNXEI-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C=CCCN(C)[C@@H](C)CC[NH3+] 307868825 572680019 /nfs/dbraw/zinc/68/00/19/572680019.db2.gz ICGRCLZHBRNXEI-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C#C[C@H](C)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307658912 572680436 /nfs/dbraw/zinc/68/04/36/572680436.db2.gz DOWKXAMJFPUABF-BJDJZHNGSA-N 1 3 194.322 1.313 10 30 ADEEHO C=C(C)CC[NH2+]C1CC(N)C1 307664539 572683761 /nfs/dbraw/zinc/68/37/61/572683761.db2.gz YZUKAVPKLYUUKF-UHFFFAOYSA-N 1 3 154.257 1.032 10 30 ADEEHO C=C(C)CCNC1CC([NH3+])C1 307664539 572683764 /nfs/dbraw/zinc/68/37/64/572683764.db2.gz YZUKAVPKLYUUKF-UHFFFAOYSA-N 1 3 154.257 1.032 10 30 ADEEHO C#C[C@H](C)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307658913 572684233 /nfs/dbraw/zinc/68/42/33/572684233.db2.gz DOWKXAMJFPUABF-KXNHARMFSA-N 1 3 194.322 1.313 10 30 ADEEHO C#C[C@@H](CC)N1CC[C@@](C)(C[NH3+])C1 306538766 572684735 /nfs/dbraw/zinc/68/47/35/572684735.db2.gz TVGJIWKUHPVXAR-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@@H](CC)[N@@H+]1CC[C@@](C)(CN)C1 306538766 572684740 /nfs/dbraw/zinc/68/47/40/572684740.db2.gz TVGJIWKUHPVXAR-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@@H](CC)[N@H+]1CC[C@@](C)(CN)C1 306538766 572684742 /nfs/dbraw/zinc/68/47/42/572684742.db2.gz TVGJIWKUHPVXAR-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@](C)(CC)N1CC[C@@H]([NH3+])[C@H](C)C1 307619724 572685261 /nfs/dbraw/zinc/68/52/61/572685261.db2.gz ZAKISIMMDQGTQX-IJLUTSLNSA-N 1 3 194.322 1.457 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C 307608502 572685727 /nfs/dbraw/zinc/68/57/27/572685727.db2.gz DJDNGLMAWJJIDJ-GUBZILKMSA-N 1 3 168.284 1.149 10 30 ADEEHO C=C[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 307608502 572685730 /nfs/dbraw/zinc/68/57/30/572685730.db2.gz DJDNGLMAWJJIDJ-GUBZILKMSA-N 1 3 168.284 1.149 10 30 ADEEHO C#C[C@](C)(CC)N1CC[C@H]([NH3+])C[C@H]1C 307605778 572688007 /nfs/dbraw/zinc/68/80/07/572688007.db2.gz ZHCKLCAOFBKUKM-GRYCIOLGSA-N 1 3 194.322 1.600 10 30 ADEEHO C#C[C@H](C)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307658915 572689491 /nfs/dbraw/zinc/68/94/91/572689491.db2.gz DOWKXAMJFPUABF-YFKTTZPYSA-N 1 3 194.322 1.313 10 30 ADEEHO C=C(CN)C[N@@H+](C)CCC1CCC1 688688038 572692089 /nfs/dbraw/zinc/69/20/89/572692089.db2.gz LNSKLMXTKNPRTM-UHFFFAOYSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1C 307608503 572691966 /nfs/dbraw/zinc/69/19/66/572691966.db2.gz DJDNGLMAWJJIDJ-KXUCPTDWSA-N 1 3 168.284 1.149 10 30 ADEEHO C=C[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C 307608503 572691968 /nfs/dbraw/zinc/69/19/68/572691968.db2.gz DJDNGLMAWJJIDJ-KXUCPTDWSA-N 1 3 168.284 1.149 10 30 ADEEHO C=C(C[NH3+])CN(C)CCC1CCC1 688688038 572692081 /nfs/dbraw/zinc/69/20/81/572692081.db2.gz LNSKLMXTKNPRTM-UHFFFAOYSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(CN)C[N@H+](C)CCC1CCC1 688688038 572692084 /nfs/dbraw/zinc/69/20/84/572692084.db2.gz LNSKLMXTKNPRTM-UHFFFAOYSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@@H](C)C[C@H]1C 299966966 572692556 /nfs/dbraw/zinc/69/25/56/572692556.db2.gz UIXQPSAQRWBHLW-MWLCHTKSSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@@H]2CCCC[C@H]21 299964593 572693529 /nfs/dbraw/zinc/69/35/29/572693529.db2.gz FLLNDGXXSSOQET-NWDGAFQWSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@@H]2CCCC[C@H]21 299964593 572693535 /nfs/dbraw/zinc/69/35/35/572693535.db2.gz FLLNDGXXSSOQET-NWDGAFQWSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@H]2CCCC[C@H]21 299964594 572693692 /nfs/dbraw/zinc/69/36/92/572693692.db2.gz FLLNDGXXSSOQET-VXGBXAGGSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@H]2CCCC[C@H]21 299964594 572693698 /nfs/dbraw/zinc/69/36/98/572693698.db2.gz FLLNDGXXSSOQET-VXGBXAGGSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(C[NH3+])CN1C[C@H](C)CC[C@H]1C 299964227 572693767 /nfs/dbraw/zinc/69/37/67/572693767.db2.gz CKNLDWAHHKAEFI-MWLCHTKSSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(CNC)C[N@H+](C)CCC1CCC1 688688061 572694022 /nfs/dbraw/zinc/69/40/22/572694022.db2.gz LPSVPCOTFURAQZ-UHFFFAOYSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(CNC)C[N@@H+](C)CCC1CCC1 688688061 572694026 /nfs/dbraw/zinc/69/40/26/572694026.db2.gz LPSVPCOTFURAQZ-UHFFFAOYSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@H](C)C[C@H]1C 299966964 572694162 /nfs/dbraw/zinc/69/41/62/572694162.db2.gz UIXQPSAQRWBHLW-GXSJLCMTSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C[NH3+])CN1C[C@@H](C)CC[C@H]1C 299964226 572694516 /nfs/dbraw/zinc/69/45/16/572694516.db2.gz CKNLDWAHHKAEFI-GXSJLCMTSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[C@@H](C)N1CC[C@@H]([NH3+])C1 238413403 572694662 /nfs/dbraw/zinc/69/46/62/572694662.db2.gz WBORFAMJNZSOFZ-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CN)C1 238413378 572695068 /nfs/dbraw/zinc/69/50/68/572695068.db2.gz SYORFFPNLHIDRF-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CN)C1 238413378 572695069 /nfs/dbraw/zinc/69/50/69/572695069.db2.gz SYORFFPNLHIDRF-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C#C[C@H](CC)N1CC[C@@](C)(C[NH3+])C1 306538764 572698836 /nfs/dbraw/zinc/69/88/36/572698836.db2.gz TVGJIWKUHPVXAR-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@H](CN)C1 238420325 572700251 /nfs/dbraw/zinc/70/02/51/572700251.db2.gz SYORFFPNLHIDRF-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(CC)C[N@@H+]1CCNC[C@H](C)C1 307600737 572696547 /nfs/dbraw/zinc/69/65/47/572696547.db2.gz RJGUALRWDJVZEP-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(CC)C[N@H+]1CCNC[C@H](C)C1 307600737 572696551 /nfs/dbraw/zinc/69/65/51/572696551.db2.gz RJGUALRWDJVZEP-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=CCC[C@H](C)[N@H+]1CC[C@@H](CN)C1 238420325 572700254 /nfs/dbraw/zinc/70/02/54/572700254.db2.gz SYORFFPNLHIDRF-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C#C[C@](C)(CC)N1CC[C@H]([NH3+])C[C@@H]1C 307605781 572697711 /nfs/dbraw/zinc/69/77/11/572697711.db2.gz ZHCKLCAOFBKUKM-SDDRHHMPSA-N 1 3 194.322 1.600 10 30 ADEEHO C#C[C@](C)(CC)N1CC[C@@H]([NH3+])C[C@H]1C 307605779 572698029 /nfs/dbraw/zinc/69/80/29/572698029.db2.gz ZHCKLCAOFBKUKM-IJLUTSLNSA-N 1 3 194.322 1.600 10 30 ADEEHO C#C[C@H](CC)[N@@H+]1CC[C@@](C)(CN)C1 306538764 572698840 /nfs/dbraw/zinc/69/88/40/572698840.db2.gz TVGJIWKUHPVXAR-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@H](CC)[N@H+]1CC[C@@](C)(CN)C1 306538764 572698844 /nfs/dbraw/zinc/69/88/44/572698844.db2.gz TVGJIWKUHPVXAR-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@@H](CC)N1CC[C@](C)(C[NH3+])C1 306538768 572699139 /nfs/dbraw/zinc/69/91/39/572699139.db2.gz TVGJIWKUHPVXAR-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@@H](CC)[N@@H+]1CC[C@](C)(CN)C1 306538768 572699143 /nfs/dbraw/zinc/69/91/43/572699143.db2.gz TVGJIWKUHPVXAR-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@@H](CC)[N@H+]1CC[C@](C)(CN)C1 306538768 572699148 /nfs/dbraw/zinc/69/91/48/572699148.db2.gz TVGJIWKUHPVXAR-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C=CCC[C@H](C)N1CC[C@@H]([NH3+])C1 238420347 572701421 /nfs/dbraw/zinc/70/14/21/572701421.db2.gz WBORFAMJNZSOFZ-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCN[C@@]1(C[NH3+])CCC(C)(C)C1 87772602 572705829 /nfs/dbraw/zinc/70/58/29/572705829.db2.gz PSALUWQOQYYJAY-NSHDSACASA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCN[C@]1(C[NH3+])CCC(C)(C)C1 87772601 572707006 /nfs/dbraw/zinc/70/70/06/572707006.db2.gz PSALUWQOQYYJAY-LLVKDONJSA-N 1 3 182.311 1.670 10 30 ADEEHO C#CC[NH2+][C@@H](C)[C@H]1CCCN(CC)C1 222414017 572726428 /nfs/dbraw/zinc/72/64/28/572726428.db2.gz FTDMMHYVABVTQO-RYUDHWBXSA-N 1 3 194.322 1.330 10 30 ADEEHO C=CC[C@@H](C)[NH2+]CCC(C)(C)N 308106476 572731678 /nfs/dbraw/zinc/73/16/78/572731678.db2.gz IFPJFTFGOFMQMK-SECBINFHSA-N 1 3 170.300 1.668 10 30 ADEEHO C=CC[C@@H](C)NCCC(C)(C)[NH3+] 308106476 572731680 /nfs/dbraw/zinc/73/16/80/572731680.db2.gz IFPJFTFGOFMQMK-SECBINFHSA-N 1 3 170.300 1.668 10 30 ADEEHO C=CC[C@H](C)[NH2+]CCC(C)(C)N 308106477 572733764 /nfs/dbraw/zinc/73/37/64/572733764.db2.gz IFPJFTFGOFMQMK-VIFPVBQESA-N 1 3 170.300 1.668 10 30 ADEEHO C=CC[C@H](C)NCCC(C)(C)[NH3+] 308106477 572733767 /nfs/dbraw/zinc/73/37/67/572733767.db2.gz IFPJFTFGOFMQMK-VIFPVBQESA-N 1 3 170.300 1.668 10 30 ADEEHO C=C(C)CN(CC)[C@H]1CC[C@@H]1C[NH2+]C 87921816 572742406 /nfs/dbraw/zinc/74/24/06/572742406.db2.gz UATXIVYOXLZQOV-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)CN(CC)[C@@H]1CC[C@@H]1C[NH2+]C 87921815 572743446 /nfs/dbraw/zinc/74/34/46/572743446.db2.gz UATXIVYOXLZQOV-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCCCCC[NH2+]CCCN 236200099 572744178 /nfs/dbraw/zinc/74/41/78/572744178.db2.gz ZSQPLNAHQQLTDZ-UHFFFAOYSA-N 1 3 170.300 1.671 10 30 ADEEHO C=C(C)CN(CC)[C@H]1CC[C@@H]1C[NH3+] 87921818 572745483 /nfs/dbraw/zinc/74/54/83/572745483.db2.gz GAPVYHLVFPLRFC-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@@H+](CC)[C@H]1CC[C@@H]1CN 87921818 572745492 /nfs/dbraw/zinc/74/54/92/572745492.db2.gz GAPVYHLVFPLRFC-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@H+](CC)[C@H]1CC[C@@H]1CN 87921818 572745497 /nfs/dbraw/zinc/74/54/97/572745497.db2.gz GAPVYHLVFPLRFC-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C[NH2+]C[C@H]1CCN(CCCCC#N)C1 70799534 572745885 /nfs/dbraw/zinc/74/58/85/572745885.db2.gz QBZDKHFXTJEZSE-LLVKDONJSA-N 1 3 195.310 1.222 10 30 ADEEHO C=C(C)CN(CC)[C@@H]1CC[C@@H]1C[NH3+] 87921817 572746524 /nfs/dbraw/zinc/74/65/24/572746524.db2.gz GAPVYHLVFPLRFC-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@@H+](CC)[C@@H]1CC[C@@H]1CN 87921817 572746529 /nfs/dbraw/zinc/74/65/29/572746529.db2.gz GAPVYHLVFPLRFC-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@H+](CC)[C@@H]1CC[C@@H]1CN 87921817 572746535 /nfs/dbraw/zinc/74/65/35/572746535.db2.gz GAPVYHLVFPLRFC-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCN(C[C@@H]2CCC[C@@H]2[NH3+])CC1 306721863 572748104 /nfs/dbraw/zinc/74/81/04/572748104.db2.gz IIIRMIQFNYFNON-RYUDHWBXSA-N 1 3 194.322 1.766 10 30 ADEEHO C=C(C)CN1C[C@@H]2CCC[C@@H]2[C@H]1C[NH3+] 306775803 572750873 /nfs/dbraw/zinc/75/08/73/572750873.db2.gz XGTFMFDXFMOCHU-SDDRHHMPSA-N 1 3 194.322 1.622 10 30 ADEEHO C=C1CC[NH+](CC(C)(C)CN)CC1 306750972 572752519 /nfs/dbraw/zinc/75/25/19/572752519.db2.gz KYQDSQAZECBBCX-UHFFFAOYSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C1CCN(CCC2C[NH2+]C2)CC1 306738780 572755907 /nfs/dbraw/zinc/75/59/07/572755907.db2.gz IXOPBLJXDBBVRC-UHFFFAOYSA-N 1 3 180.295 1.248 10 30 ADEEHO C=C(C)[C@H]1CC[C@@](C)(N)[C@H]([NH3+])C1 306776418 572759606 /nfs/dbraw/zinc/75/96/06/572759606.db2.gz YSRYTSMGSHUDCE-IVZWLZJFSA-N 1 3 168.284 1.407 10 30 ADEEHO C=C1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 306721861 572761864 /nfs/dbraw/zinc/76/18/64/572761864.db2.gz IIIRMIQFNYFNON-NEPJUHHUSA-N 1 3 194.322 1.766 10 30 ADEEHO C=CCC[C@@H](C)N1CC[C@H]([NH3+])C1 307914955 572761925 /nfs/dbraw/zinc/76/19/25/572761925.db2.gz WBORFAMJNZSOFZ-ZJUUUORDSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC[C@H](C)[NH2+]C[C@@H](C)CN 307913562 572762234 /nfs/dbraw/zinc/76/22/34/572762234.db2.gz ZNMIYWMNNAIHIW-IUCAKERBSA-N 1 3 156.273 1.135 10 30 ADEEHO C=CCC[C@H](C)N1CC[C@H]([NH3+])C1 307914954 572762650 /nfs/dbraw/zinc/76/26/50/572762650.db2.gz WBORFAMJNZSOFZ-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC[C@@H](C)[NH2+]C[C@@H](C)CN 307913561 572762767 /nfs/dbraw/zinc/76/27/67/572762767.db2.gz ZNMIYWMNNAIHIW-DTWKUNHWSA-N 1 3 156.273 1.135 10 30 ADEEHO C=CC[C@H](C)[NH2+]C[C@H](C)CN 307913560 572763244 /nfs/dbraw/zinc/76/32/44/572763244.db2.gz ZNMIYWMNNAIHIW-BDAKNGLRSA-N 1 3 156.273 1.135 10 30 ADEEHO C=CC[C@@H](C)[NH2+]C[C@H](C)CN 307913563 572763597 /nfs/dbraw/zinc/76/35/97/572763597.db2.gz ZNMIYWMNNAIHIW-RKDXNWHRSA-N 1 3 156.273 1.135 10 30 ADEEHO C#CC[C@@H](C)NCCC(C)(C)[NH3+] 308121189 572764310 /nfs/dbraw/zinc/76/43/10/572764310.db2.gz QCPUKSUZRBJQFZ-SECBINFHSA-N 1 3 168.284 1.115 10 30 ADEEHO C#CC[C@H](C)NCCC(C)(C)[NH3+] 308121190 572764482 /nfs/dbraw/zinc/76/44/82/572764482.db2.gz QCPUKSUZRBJQFZ-VIFPVBQESA-N 1 3 168.284 1.115 10 30 ADEEHO C#C[C@H](CCC)[NH2+][C@H](C)[C@@H](C)N 308122385 572765526 /nfs/dbraw/zinc/76/55/26/572765526.db2.gz RIBVIKDGTDKDPT-OPRDCNLKSA-N 1 3 168.284 1.114 10 30 ADEEHO C#C[C@H](CCC)[NH2+][C@@H](C)[C@@H](C)N 308122383 572767347 /nfs/dbraw/zinc/76/73/47/572767347.db2.gz RIBVIKDGTDKDPT-KXUCPTDWSA-N 1 3 168.284 1.114 10 30 ADEEHO C=CCC[NH2+][C@@H]1CCNC[C@H]1C 308122802 572767380 /nfs/dbraw/zinc/76/73/80/572767380.db2.gz RRTKFNMMTZGWRL-NXEZZACHSA-N 1 3 168.284 1.150 10 30 ADEEHO C#C[C@H](CCC)[NH2+][C@H](C)[C@H](C)N 308122382 572767411 /nfs/dbraw/zinc/76/74/11/572767411.db2.gz RIBVIKDGTDKDPT-IVZWLZJFSA-N 1 3 168.284 1.114 10 30 ADEEHO C#C[C@H](CCC)[NH2+][C@@H](C)[C@H](C)N 308122384 572767731 /nfs/dbraw/zinc/76/77/31/572767731.db2.gz RIBVIKDGTDKDPT-LPEHRKFASA-N 1 3 168.284 1.114 10 30 ADEEHO C=CCC[N@@H+](C)[C@H]1CC[C@H]1CN 307928007 572774700 /nfs/dbraw/zinc/77/47/00/572774700.db2.gz ABBVSWFMTBJTKU-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@H+](C)[C@H]1CC[C@H]1CN 307928007 572774707 /nfs/dbraw/zinc/77/47/07/572774707.db2.gz ABBVSWFMTBJTKU-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCN(C)[C@H]1CC[C@H]1C[NH3+] 307928007 572774712 /nfs/dbraw/zinc/77/47/12/572774712.db2.gz ABBVSWFMTBJTKU-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN1C[C@@H]2CCC[C@H]2[C@H]1C[NH3+] 306775802 572775562 /nfs/dbraw/zinc/77/55/62/572775562.db2.gz XGTFMFDXFMOCHU-QJPTWQEYSA-N 1 3 194.322 1.622 10 30 ADEEHO C=CCC[N@@H+](C)[C@@H]1CC[C@H]1CN 307928008 572776140 /nfs/dbraw/zinc/77/61/40/572776140.db2.gz ABBVSWFMTBJTKU-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@H+](C)[C@@H]1CC[C@H]1CN 307928008 572776143 /nfs/dbraw/zinc/77/61/43/572776143.db2.gz ABBVSWFMTBJTKU-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCN(C)[C@@H]1CC[C@H]1C[NH3+] 307928008 572776145 /nfs/dbraw/zinc/77/61/45/572776145.db2.gz ABBVSWFMTBJTKU-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C#CCCCNCCC(C)(C)[NH3+] 308120752 572783085 /nfs/dbraw/zinc/78/30/85/572783085.db2.gz PMAKOQSXNKCLJD-UHFFFAOYSA-N 1 3 168.284 1.117 10 30 ADEEHO C#CCCC[NH2+]CCC(C)(C)N 308120752 572783080 /nfs/dbraw/zinc/78/30/80/572783080.db2.gz PMAKOQSXNKCLJD-UHFFFAOYSA-N 1 3 168.284 1.117 10 30 ADEEHO C=CCCCCN1CCC([NH3+])CC1 238548880 572787244 /nfs/dbraw/zinc/78/72/44/572787244.db2.gz ODMVBMDYTHKZRG-UHFFFAOYSA-N 1 3 182.311 1.766 10 30 ADEEHO C#CCC[C@@H]([NH3+])C(C)(C)N1CCCC1 85740500 572788811 /nfs/dbraw/zinc/78/88/11/572788811.db2.gz PVGFFUKUKMOHBP-LLVKDONJSA-N 1 3 194.322 1.602 10 30 ADEEHO C=C(CC)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306800303 572789759 /nfs/dbraw/zinc/78/97/59/572789759.db2.gz OKIZWJJOGGQJKE-SDDRHHMPSA-N 1 3 194.322 1.622 10 30 ADEEHO C#CCC[C@H]([NH3+])C(C)(C)N1CCCC1 85740502 572791454 /nfs/dbraw/zinc/79/14/54/572791454.db2.gz PVGFFUKUKMOHBP-NSHDSACASA-N 1 3 194.322 1.602 10 30 ADEEHO C#CCCNCCC[NH2+]C(C)(C)C 308131727 572790872 /nfs/dbraw/zinc/79/08/72/572790872.db2.gz BGBHVPNCVXXESX-UHFFFAOYSA-N 1 3 182.311 1.378 10 30 ADEEHO C=C(CC)CN1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306800305 572794266 /nfs/dbraw/zinc/79/42/66/572794266.db2.gz OKIZWJJOGGQJKE-TUAOUCFPSA-N 1 3 194.322 1.622 10 30 ADEEHO C=C(CC)CN1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306800302 572795910 /nfs/dbraw/zinc/79/59/10/572795910.db2.gz OKIZWJJOGGQJKE-QJPTWQEYSA-N 1 3 194.322 1.622 10 30 ADEEHO C=CCCCN1CCO[C@H](CC[NH3+])C1 238552863 572797753 /nfs/dbraw/zinc/79/77/53/572797753.db2.gz PJSXURYWKZDVQO-LLVKDONJSA-N 1 3 198.310 1.002 10 30 ADEEHO C=CCCCCN1CCC[C@@H]1C[NH3+] 238554068 572803444 /nfs/dbraw/zinc/80/34/44/572803444.db2.gz BOCVEPBGRGNGIE-LLVKDONJSA-N 1 3 182.311 1.766 10 30 ADEEHO C#CC[C@H](CC)N[C@H](C)[C@H](C)[NH3+] 308133297 572804582 /nfs/dbraw/zinc/80/45/82/572804582.db2.gz YRJQNNWTTVUERC-AEJSXWLSSA-N 1 3 168.284 1.114 10 30 ADEEHO C=C(C[NH3+])CN(C)[C@H](C)CC 231596638 572806224 /nfs/dbraw/zinc/80/62/24/572806224.db2.gz BMEPMUJXOBRDFP-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C#CC[C@H](CC)N[C@H](C)[C@@H](C)[NH3+] 308133298 572806491 /nfs/dbraw/zinc/80/64/91/572806491.db2.gz YRJQNNWTTVUERC-BBBLOLIVSA-N 1 3 168.284 1.114 10 30 ADEEHO C#CC[C@H](CC)N[C@@H](C)[C@H](C)[NH3+] 308133299 572806591 /nfs/dbraw/zinc/80/65/91/572806591.db2.gz YRJQNNWTTVUERC-GUBZILKMSA-N 1 3 168.284 1.114 10 30 ADEEHO C=C(C)CCN1C[C@@H](C)[C@@H]([NH3+])C1 235359477 572806720 /nfs/dbraw/zinc/80/67/20/572806720.db2.gz ZJTACALKRBEYDD-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(CC)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306800304 572807557 /nfs/dbraw/zinc/80/75/57/572807557.db2.gz OKIZWJJOGGQJKE-SRVKXCTJSA-N 1 3 194.322 1.622 10 30 ADEEHO C=CCCC[NH2+]C[C@@H](CN)C(C)C 308137450 572807619 /nfs/dbraw/zinc/80/76/19/572807619.db2.gz JEBLUIHPZTVHKE-LLVKDONJSA-N 1 3 184.327 1.773 10 30 ADEEHO C=CCCC[NH2+]C[C@H](CN)C(C)C 308137453 572808746 /nfs/dbraw/zinc/80/87/46/572808746.db2.gz JEBLUIHPZTVHKE-NSHDSACASA-N 1 3 184.327 1.773 10 30 ADEEHO C#CC[C@@H](CC[NH+](CC)CC)NCC 85795932 572817052 /nfs/dbraw/zinc/81/70/52/572817052.db2.gz YXDDSNSLIDUZOE-LBPRGKRZSA-N 1 3 196.338 1.720 10 30 ADEEHO C=CCCC[NH2+][C@@H]1CCNC[C@H]1C 308134687 572815409 /nfs/dbraw/zinc/81/54/09/572815409.db2.gz NCZMUCCKADKDIC-GHMZBOCLSA-N 1 3 182.311 1.540 10 30 ADEEHO C=CC[C@@H](CCN(CC)CC)[NH2+]C 85795692 572815696 /nfs/dbraw/zinc/81/56/96/572815696.db2.gz MFLBJVPIHFWBJS-NSHDSACASA-N 1 3 184.327 1.882 10 30 ADEEHO C=CCCC[NH2+][C@@H]1CCNC[C@@H]1C 308134690 572815993 /nfs/dbraw/zinc/81/59/93/572815993.db2.gz NCZMUCCKADKDIC-WDEREUQCSA-N 1 3 182.311 1.540 10 30 ADEEHO CC#CC[C@@H](CC[NH+](CC)CC)NC 85795658 572816332 /nfs/dbraw/zinc/81/63/32/572816332.db2.gz VHBYMLQCBRIGCG-LBPRGKRZSA-N 1 3 196.338 1.720 10 30 ADEEHO CC#CC[C@@H](CCN(CC)CC)[NH2+]C 85795658 572816336 /nfs/dbraw/zinc/81/63/36/572816336.db2.gz VHBYMLQCBRIGCG-LBPRGKRZSA-N 1 3 196.338 1.720 10 30 ADEEHO C=CCCC[NH2+][C@H]1CCNC[C@@H]1C 308134689 572816564 /nfs/dbraw/zinc/81/65/64/572816564.db2.gz NCZMUCCKADKDIC-QWRGUYRKSA-N 1 3 182.311 1.540 10 30 ADEEHO C=C(CC)C[C@H](N)C[NH+](C)C 85798469 572816843 /nfs/dbraw/zinc/81/68/43/572816843.db2.gz SBRKQESUEIVFBT-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C#CC[C@@H](CCN(CC)CC)[NH2+]CC 85795932 572817048 /nfs/dbraw/zinc/81/70/48/572817048.db2.gz YXDDSNSLIDUZOE-LBPRGKRZSA-N 1 3 196.338 1.720 10 30 ADEEHO C#CCC[C@@H]([NH3+])CCN(CC)CC 85795377 572817106 /nfs/dbraw/zinc/81/71/06/572817106.db2.gz URGRVTXZFZCEGS-LLVKDONJSA-N 1 3 182.311 1.459 10 30 ADEEHO C#CC[C@H](CCN(CC)CC)[NH2+]CC 85795928 572817410 /nfs/dbraw/zinc/81/74/10/572817410.db2.gz YXDDSNSLIDUZOE-GFCCVEGCSA-N 1 3 196.338 1.720 10 30 ADEEHO C#CC[C@H](CC[NH+](CC)CC)NCC 85795928 572817414 /nfs/dbraw/zinc/81/74/14/572817414.db2.gz YXDDSNSLIDUZOE-GFCCVEGCSA-N 1 3 196.338 1.720 10 30 ADEEHO C=C[C@H](CCN(CC)CC)[NH2+]C 85795537 572818104 /nfs/dbraw/zinc/81/81/04/572818104.db2.gz VFVOYUCCBWYUOH-SNVBAGLBSA-N 1 3 170.300 1.492 10 30 ADEEHO C#CCC[C@H](CCN(CC)CC)[NH2+]C 85795712 572818163 /nfs/dbraw/zinc/81/81/63/572818163.db2.gz HNMSRDMRMBQASO-GFCCVEGCSA-N 1 3 196.338 1.720 10 30 ADEEHO C#CC[C@@H](CC[NH+](CC)CC)NC 85795765 572818355 /nfs/dbraw/zinc/81/83/55/572818355.db2.gz SWLPYTIQILWYSR-NSHDSACASA-N 1 3 182.311 1.330 10 30 ADEEHO C=CC[C@H]([NH3+])CCN(CC)CC 85795352 572818320 /nfs/dbraw/zinc/81/83/20/572818320.db2.gz BZLBCWFMCYDFMX-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(CC)C[C@@H](N)C[NH+](C)C 85798472 572819061 /nfs/dbraw/zinc/81/90/61/572819061.db2.gz SBRKQESUEIVFBT-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C#CC[C@@H](CCN(CC)CC)[NH2+]C 85795765 572818359 /nfs/dbraw/zinc/81/83/59/572818359.db2.gz SWLPYTIQILWYSR-NSHDSACASA-N 1 3 182.311 1.330 10 30 ADEEHO C=CCCCN1CCO[C@@H](CC[NH3+])C1 238561451 572818442 /nfs/dbraw/zinc/81/84/42/572818442.db2.gz PJSXURYWKZDVQO-NSHDSACASA-N 1 3 198.310 1.002 10 30 ADEEHO C=C[C@@H]([NH3+])CCN(CC)CC 85795059 572818460 /nfs/dbraw/zinc/81/84/60/572818460.db2.gz SBKDUTDQGZHAHF-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C#CCC[C@H]([NH3+])CCN(CC)CC 85795378 572818715 /nfs/dbraw/zinc/81/87/15/572818715.db2.gz URGRVTXZFZCEGS-NSHDSACASA-N 1 3 182.311 1.459 10 30 ADEEHO C=CC[C@@H]([NH3+])CCN(CC)CC 85795349 572818734 /nfs/dbraw/zinc/81/87/34/572818734.db2.gz BZLBCWFMCYDFMX-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=C[C@H](CCN(CC)CC)[NH2+]CC 85795813 572818796 /nfs/dbraw/zinc/81/87/96/572818796.db2.gz VTFDGMMRFHYTTG-LLVKDONJSA-N 1 3 184.327 1.882 10 30 ADEEHO C#CCC[C@@H](CCN(CC)CC)[NH2+]C 85795715 572818843 /nfs/dbraw/zinc/81/88/43/572818843.db2.gz HNMSRDMRMBQASO-LBPRGKRZSA-N 1 3 196.338 1.720 10 30 ADEEHO C=CCN1C[C@H]2CC[N@@H+](C)C[C@@H]2C1 306973891 572819349 /nfs/dbraw/zinc/81/93/49/572819349.db2.gz XRLHSWPPNMACEE-GHMZBOCLSA-N 1 3 180.295 1.056 10 30 ADEEHO C=CCN1C[C@H]2CC[N@H+](C)C[C@@H]2C1 306973891 572819353 /nfs/dbraw/zinc/81/93/53/572819353.db2.gz XRLHSWPPNMACEE-GHMZBOCLSA-N 1 3 180.295 1.056 10 30 ADEEHO C=C[C@@H](CCN(CC)CC)[NH2+]CC 85795815 572819420 /nfs/dbraw/zinc/81/94/20/572819420.db2.gz VTFDGMMRFHYTTG-NSHDSACASA-N 1 3 184.327 1.882 10 30 ADEEHO C=CCCCC[N@H+]1CCC[C@H](N)C1 238561553 572819442 /nfs/dbraw/zinc/81/94/42/572819442.db2.gz QVVNHXAZRBARQE-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C=CCCCC[N@@H+]1CCC[C@H](N)C1 238561553 572819445 /nfs/dbraw/zinc/81/94/45/572819445.db2.gz QVVNHXAZRBARQE-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C=CCCCCN1CCC[C@H]1C[NH3+] 238559191 572820555 /nfs/dbraw/zinc/82/05/55/572820555.db2.gz BOCVEPBGRGNGIE-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C=CCCCC[N@H+]1CC[C@@H](CN)C1 238561692 572820800 /nfs/dbraw/zinc/82/08/00/572820800.db2.gz STORWMJBJKOHKV-NSHDSACASA-N 1 3 182.311 1.623 10 30 ADEEHO C=CCCCC[N@@H+]1CC[C@@H](CN)C1 238561692 572820802 /nfs/dbraw/zinc/82/08/02/572820802.db2.gz STORWMJBJKOHKV-NSHDSACASA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C[NH3+])CN(CC)C[C@H](C)CC 231619984 572825632 /nfs/dbraw/zinc/82/56/32/572825632.db2.gz WPIWTBDWQQXQGB-SNVBAGLBSA-N 1 3 184.327 1.869 10 30 ADEEHO C=CCCCC[N@H+]1CC[C@H](CN)C1 238557428 572826626 /nfs/dbraw/zinc/82/66/26/572826626.db2.gz STORWMJBJKOHKV-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=CCCCC[N@@H+]1CC[C@H](CN)C1 238557428 572826631 /nfs/dbraw/zinc/82/66/31/572826631.db2.gz STORWMJBJKOHKV-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C#C[C@](C)(CC)[N@@H+]1CCCN[C@H](C)C1 307000031 572827850 /nfs/dbraw/zinc/82/78/50/572827850.db2.gz BJRDHVPNJUVWTA-VXGBXAGGSA-N 1 3 194.322 1.472 10 30 ADEEHO C#C[C@](C)(CC)[N@H+]1CCCN[C@H](C)C1 307000031 572827852 /nfs/dbraw/zinc/82/78/52/572827852.db2.gz BJRDHVPNJUVWTA-VXGBXAGGSA-N 1 3 194.322 1.472 10 30 ADEEHO C#C[C@@](C)(CC)[N@@H+]1CCCN[C@H](C)C1 307000015 572827537 /nfs/dbraw/zinc/82/75/37/572827537.db2.gz BJRDHVPNJUVWTA-NEPJUHHUSA-N 1 3 194.322 1.472 10 30 ADEEHO C#C[C@@](C)(CC)[N@H+]1CCCN[C@H](C)C1 307000015 572827540 /nfs/dbraw/zinc/82/75/40/572827540.db2.gz BJRDHVPNJUVWTA-NEPJUHHUSA-N 1 3 194.322 1.472 10 30 ADEEHO C=C(C[NH2+]C)CN1CC[C@@H](CC)C1 231622021 572829463 /nfs/dbraw/zinc/82/94/63/572829463.db2.gz YEOSYTASTMGXNL-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO CCN(CCC#N)C1CCC([NH3+])CC1 85870860 572829853 /nfs/dbraw/zinc/82/98/53/572829853.db2.gz RQGKKSPCNBFASP-UHFFFAOYSA-N 1 3 195.310 1.492 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@H](CC)C1 231622048 572829866 /nfs/dbraw/zinc/82/98/66/572829866.db2.gz VEYOJDDSAIGUPQ-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@H](CC)C1 231622048 572829872 /nfs/dbraw/zinc/82/98/72/572829872.db2.gz VEYOJDDSAIGUPQ-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@@H](CCC)C1 231622093 572830210 /nfs/dbraw/zinc/83/02/10/572830210.db2.gz VOAIMDKCYPVUCO-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@@H](CCC)C1 231622093 572830213 /nfs/dbraw/zinc/83/02/13/572830213.db2.gz VOAIMDKCYPVUCO-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@@H](CCC)C1 231622093 572830218 /nfs/dbraw/zinc/83/02/18/572830218.db2.gz VOAIMDKCYPVUCO-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C[NH2+]C)CN1CC[C@H](C(C)C)C1 231621979 572832066 /nfs/dbraw/zinc/83/20/66/572832066.db2.gz USNGKVUZNBMNAQ-LBPRGKRZSA-N 1 3 196.338 1.740 10 30 ADEEHO C#C[C@@H](CC)N1CCCC[C@@H](C[NH3+])C1 306997362 572833306 /nfs/dbraw/zinc/83/33/06/572833306.db2.gz VYDMMQDNOUWMAU-RYUDHWBXSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@@H](CC)[N@@H+]1CCCC[C@@H](CN)C1 306997362 572833309 /nfs/dbraw/zinc/83/33/09/572833309.db2.gz VYDMMQDNOUWMAU-RYUDHWBXSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@@H](CC)[N@H+]1CCCC[C@@H](CN)C1 306997362 572833313 /nfs/dbraw/zinc/83/33/13/572833313.db2.gz VYDMMQDNOUWMAU-RYUDHWBXSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@H](CC)N1CCCC[C@@H](C[NH3+])C1 306997361 572835175 /nfs/dbraw/zinc/83/51/75/572835175.db2.gz VYDMMQDNOUWMAU-NWDGAFQWSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@H](CC)[N@@H+]1CCCC[C@@H](CN)C1 306997361 572835178 /nfs/dbraw/zinc/83/51/78/572835178.db2.gz VYDMMQDNOUWMAU-NWDGAFQWSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@H](CC)[N@H+]1CCCC[C@@H](CN)C1 306997361 572835181 /nfs/dbraw/zinc/83/51/81/572835181.db2.gz VYDMMQDNOUWMAU-NWDGAFQWSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@H](CC)N1CCCC[C@H](C[NH3+])C1 306997363 572836014 /nfs/dbraw/zinc/83/60/14/572836014.db2.gz VYDMMQDNOUWMAU-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@H](CC)[N@@H+]1CCCC[C@H](CN)C1 306997363 572836018 /nfs/dbraw/zinc/83/60/18/572836018.db2.gz VYDMMQDNOUWMAU-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@H](CC)[N@H+]1CCCC[C@H](CN)C1 306997363 572836023 /nfs/dbraw/zinc/83/60/23/572836023.db2.gz VYDMMQDNOUWMAU-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C=C[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 308143322 572836127 /nfs/dbraw/zinc/83/61/27/572836127.db2.gz KADTXUXKTWGABL-GHMZBOCLSA-N 1 3 182.311 1.444 10 30 ADEEHO C=C[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 308143322 572836130 /nfs/dbraw/zinc/83/61/30/572836130.db2.gz KADTXUXKTWGABL-GHMZBOCLSA-N 1 3 182.311 1.444 10 30 ADEEHO C=C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 308143327 572836240 /nfs/dbraw/zinc/83/62/40/572836240.db2.gz KADTXUXKTWGABL-WDEREUQCSA-N 1 3 182.311 1.444 10 30 ADEEHO C=C[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)C1 308143327 572836245 /nfs/dbraw/zinc/83/62/45/572836245.db2.gz KADTXUXKTWGABL-WDEREUQCSA-N 1 3 182.311 1.444 10 30 ADEEHO C#C[C@](C)(CC)[N@@H+]1CCCN[C@@H](C)C1 307000021 572837493 /nfs/dbraw/zinc/83/74/93/572837493.db2.gz BJRDHVPNJUVWTA-NWDGAFQWSA-N 1 3 194.322 1.472 10 30 ADEEHO C#C[C@](C)(CC)[N@H+]1CCCN[C@@H](C)C1 307000021 572837497 /nfs/dbraw/zinc/83/74/97/572837497.db2.gz BJRDHVPNJUVWTA-NWDGAFQWSA-N 1 3 194.322 1.472 10 30 ADEEHO C=C[C@@H](C)N(C)C[C@H]1CC[N@H+](C)C1 308143324 572837375 /nfs/dbraw/zinc/83/73/75/572837375.db2.gz KADTXUXKTWGABL-MNOVXSKESA-N 1 3 182.311 1.444 10 30 ADEEHO C=C[C@@H](C)N(C)C[C@H]1CC[N@@H+](C)C1 308143324 572837378 /nfs/dbraw/zinc/83/73/78/572837378.db2.gz KADTXUXKTWGABL-MNOVXSKESA-N 1 3 182.311 1.444 10 30 ADEEHO C=C[C@H](C)N(C)C[C@H]1CC[N@H+](C)C1 308143326 572838386 /nfs/dbraw/zinc/83/83/86/572838386.db2.gz KADTXUXKTWGABL-QWRGUYRKSA-N 1 3 182.311 1.444 10 30 ADEEHO C=C[C@H](C)N(C)C[C@H]1CC[N@@H+](C)C1 308143326 572838390 /nfs/dbraw/zinc/83/83/90/572838390.db2.gz KADTXUXKTWGABL-QWRGUYRKSA-N 1 3 182.311 1.444 10 30 ADEEHO C=C(C)[C@@H]([NH3+])CCN(CC)CC 86059081 572847900 /nfs/dbraw/zinc/84/79/00/572847900.db2.gz QKRKKGXXSKGTOW-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)[C@@H](CCN(CC)CC)[NH2+]C 86059090 572848803 /nfs/dbraw/zinc/84/88/03/572848803.db2.gz XRSCOSZMJUTXHK-LLVKDONJSA-N 1 3 184.327 1.882 10 30 ADEEHO C=C(C)[C@H]([NH3+])CCN(CC)CC 86059083 572849970 /nfs/dbraw/zinc/84/99/70/572849970.db2.gz QKRKKGXXSKGTOW-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)[C@H](CCN(CC)CC)[NH2+]C 86059089 572850165 /nfs/dbraw/zinc/85/01/65/572850165.db2.gz XRSCOSZMJUTXHK-NSHDSACASA-N 1 3 184.327 1.882 10 30 ADEEHO C[C@H](C#N)CN[C@H](C)CCCC[NH3+] 308146243 572852110 /nfs/dbraw/zinc/85/21/10/572852110.db2.gz YPYLPYCLSJSGSZ-NXEZZACHSA-N 1 3 183.299 1.253 10 30 ADEEHO C[C@@H](C#N)CN[C@H](C)CCCC[NH3+] 308146246 572852278 /nfs/dbraw/zinc/85/22/78/572852278.db2.gz YPYLPYCLSJSGSZ-VHSXEESVSA-N 1 3 183.299 1.253 10 30 ADEEHO C[C@H](C#N)CN[C@@H](C)CCCC[NH3+] 308146249 572853042 /nfs/dbraw/zinc/85/30/42/572853042.db2.gz YPYLPYCLSJSGSZ-ZJUUUORDSA-N 1 3 183.299 1.253 10 30 ADEEHO C[C@@H](CCCC[NH3+])NC[C@@H](C)C#N 308146245 572854406 /nfs/dbraw/zinc/85/44/06/572854406.db2.gz YPYLPYCLSJSGSZ-UWVGGRQHSA-N 1 3 183.299 1.253 10 30 ADEEHO C#C[C@@H](CC)N1CCCC[C@H](C[NH3+])C1 306997360 572861309 /nfs/dbraw/zinc/86/13/09/572861309.db2.gz VYDMMQDNOUWMAU-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@@H](CC)[N@@H+]1CCCC[C@H](CN)C1 306997360 572861313 /nfs/dbraw/zinc/86/13/13/572861313.db2.gz VYDMMQDNOUWMAU-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@@H](CC)[N@H+]1CCCC[C@H](CN)C1 306997360 572861318 /nfs/dbraw/zinc/86/13/18/572861318.db2.gz VYDMMQDNOUWMAU-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCCN1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 307099642 572863146 /nfs/dbraw/zinc/86/31/46/572863146.db2.gz RZSXCGINVWWHJR-TUAOUCFPSA-N 1 3 192.306 1.069 10 30 ADEEHO C=C(C)C[NH2+]C[C@@H](C)CN(C)C 307965674 572865636 /nfs/dbraw/zinc/86/56/36/572865636.db2.gz QWLNXHLRONDXSJ-SNVBAGLBSA-N 1 3 170.300 1.350 10 30 ADEEHO C=C(C)CNC[C@@H](C)C[NH+](C)C 307965674 572865638 /nfs/dbraw/zinc/86/56/38/572865638.db2.gz QWLNXHLRONDXSJ-SNVBAGLBSA-N 1 3 170.300 1.350 10 30 ADEEHO C=C(CN)C[NH+]1C[C@H]2CCCC[C@@H]2C1 307094719 572866742 /nfs/dbraw/zinc/86/67/42/572866742.db2.gz BWLFVQFRJDQBIT-VXGBXAGGSA-N 1 3 194.322 1.623 10 30 ADEEHO C=C(C)C[NH2+]C[C@H](C)CN(C)C 307965673 572867303 /nfs/dbraw/zinc/86/73/03/572867303.db2.gz QWLNXHLRONDXSJ-JTQLQIEISA-N 1 3 170.300 1.350 10 30 ADEEHO C=C(C)CNC[C@H](C)C[NH+](C)C 307965673 572867310 /nfs/dbraw/zinc/86/73/10/572867310.db2.gz QWLNXHLRONDXSJ-JTQLQIEISA-N 1 3 170.300 1.350 10 30 ADEEHO C#C[C@H](CC)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307045863 572867559 /nfs/dbraw/zinc/86/75/59/572867559.db2.gz WRHSFISEYAGYCA-USZNOCQGSA-N 1 3 192.306 1.067 10 30 ADEEHO C=CC[NH2+]C[C@H]1CN2CCC1CC2 75570333 572869380 /nfs/dbraw/zinc/86/93/80/572869380.db2.gz WBNGDXIIKKCOAK-NSHDSACASA-N 1 3 180.295 1.104 10 30 ADEEHO C=CCNC[C@H]1C[NH+]2CCC1CC2 75570333 572869384 /nfs/dbraw/zinc/86/93/84/572869384.db2.gz WBNGDXIIKKCOAK-NSHDSACASA-N 1 3 180.295 1.104 10 30 ADEEHO C=CC[NH2+]C[C@@H]1CN2CCC1CC2 75570332 572870109 /nfs/dbraw/zinc/87/01/09/572870109.db2.gz WBNGDXIIKKCOAK-LLVKDONJSA-N 1 3 180.295 1.104 10 30 ADEEHO C=CCNC[C@@H]1C[NH+]2CCC1CC2 75570332 572870113 /nfs/dbraw/zinc/87/01/13/572870113.db2.gz WBNGDXIIKKCOAK-LLVKDONJSA-N 1 3 180.295 1.104 10 30 ADEEHO C=C(CN)C[NH+]1CCC2(CCC2)CC1 307047493 572870255 /nfs/dbraw/zinc/87/02/55/572870255.db2.gz ONNGIRHFCKMJIC-UHFFFAOYSA-N 1 3 194.322 1.767 10 30 ADEEHO C=CCN(C)[C@@H]1CC12CC[NH2+]CC2 307085892 572871608 /nfs/dbraw/zinc/87/16/08/572871608.db2.gz XZVDMHRRSLSQIG-SNVBAGLBSA-N 1 3 180.295 1.246 10 30 ADEEHO C=C(CN)C[N@@H+]1C[C@H]2CCCC[C@H]2C1 307094124 572878756 /nfs/dbraw/zinc/87/87/56/572878756.db2.gz BWLFVQFRJDQBIT-TXEJJXNPSA-N 1 3 194.322 1.623 10 30 ADEEHO C=C(CN)C[N@H+]1C[C@H]2CCCC[C@H]2C1 307094124 572878759 /nfs/dbraw/zinc/87/87/59/572878759.db2.gz BWLFVQFRJDQBIT-TXEJJXNPSA-N 1 3 194.322 1.623 10 30 ADEEHO C#CCCC[N@H+]1CC[C@](C)(CN)C1 308160755 572883854 /nfs/dbraw/zinc/88/38/54/572883854.db2.gz WRUZZQRIRUQJIF-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@](C)(CN)C1 308160755 572883856 /nfs/dbraw/zinc/88/38/56/572883856.db2.gz WRUZZQRIRUQJIF-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO C=CCN[C@](C)(C[NH3+])[C@@H](C)CC 307969084 572884116 /nfs/dbraw/zinc/88/41/16/572884116.db2.gz VWAOYSXWIGOYPJ-VHSXEESVSA-N 1 3 170.300 1.526 10 30 ADEEHO C#CCCC[N@H+]1CC[C@@](C)(CN)C1 308160756 572884695 /nfs/dbraw/zinc/88/46/95/572884695.db2.gz WRUZZQRIRUQJIF-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@@](C)(CN)C1 308160756 572884696 /nfs/dbraw/zinc/88/46/96/572884696.db2.gz WRUZZQRIRUQJIF-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C=CCN[C@](C)(C[NH3+])[C@H](C)CC 307969082 572884954 /nfs/dbraw/zinc/88/49/54/572884954.db2.gz VWAOYSXWIGOYPJ-NXEZZACHSA-N 1 3 170.300 1.526 10 30 ADEEHO C=C(CN)C[N@@H+]1CC[C@@H]2CCC[C@H]21 307036938 572886060 /nfs/dbraw/zinc/88/60/60/572886060.db2.gz OPYUPZLJGBFAQH-WDEREUQCSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C(CN)C[N@H+]1CC[C@@H]2CCC[C@H]21 307036938 572886065 /nfs/dbraw/zinc/88/60/65/572886065.db2.gz OPYUPZLJGBFAQH-WDEREUQCSA-N 1 3 180.295 1.376 10 30 ADEEHO C=CCN[C@@](C)(C[NH3+])[C@@H](C)CC 307969083 572886782 /nfs/dbraw/zinc/88/67/82/572886782.db2.gz VWAOYSXWIGOYPJ-UWVGGRQHSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCC[N@@H+](C)CC(C)=C1CNC1 308169262 572888831 /nfs/dbraw/zinc/88/88/31/572888831.db2.gz BVJPCAZSCIQAET-UHFFFAOYSA-N 1 3 180.295 1.414 10 30 ADEEHO C=CCC[N@H+](C)CC(C)=C1CNC1 308169262 572888835 /nfs/dbraw/zinc/88/88/35/572888835.db2.gz BVJPCAZSCIQAET-UHFFFAOYSA-N 1 3 180.295 1.414 10 30 ADEEHO CC#CCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307099640 572894890 /nfs/dbraw/zinc/89/48/90/572894890.db2.gz RZSXCGINVWWHJR-SRVKXCTJSA-N 1 3 192.306 1.069 10 30 ADEEHO C=CCC[N@H+]1CCCC[C@@H](CN)C1 308179405 572904404 /nfs/dbraw/zinc/90/44/04/572904404.db2.gz BZEFFHLVJXZUII-NSHDSACASA-N 1 3 182.311 1.623 10 30 ADEEHO C=CCC[N@@H+]1CCCC[C@@H](CN)C1 308179405 572904406 /nfs/dbraw/zinc/90/44/06/572904406.db2.gz BZEFFHLVJXZUII-NSHDSACASA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(C)CN(CC)C[C@@H]1CC[NH2+][C@@H]1C 86272537 572904461 /nfs/dbraw/zinc/90/44/61/572904461.db2.gz ZKQMTWCQLGYRIE-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCC[N@H+]1CCCC[C@H](CN)C1 308179404 572904712 /nfs/dbraw/zinc/90/47/12/572904712.db2.gz BZEFFHLVJXZUII-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=CCC[N@@H+]1CCCC[C@H](CN)C1 308179404 572904716 /nfs/dbraw/zinc/90/47/16/572904716.db2.gz BZEFFHLVJXZUII-LLVKDONJSA-N 1 3 182.311 1.623 10 30 ADEEHO C=C(CNCC)C[N@H+](C)C[C@H]1C[C@H]1C 299966525 572906644 /nfs/dbraw/zinc/90/66/44/572906644.db2.gz SAVIIPFZHKJHPL-VXGBXAGGSA-N 1 3 196.338 1.740 10 30 ADEEHO C=C(CNCC)C[N@@H+](C)C[C@H]1C[C@H]1C 299966525 572906647 /nfs/dbraw/zinc/90/66/47/572906647.db2.gz SAVIIPFZHKJHPL-VXGBXAGGSA-N 1 3 196.338 1.740 10 30 ADEEHO C=CCC[N@@H+](C)C[C@H](N)[C@H](C)CC 308185282 572910337 /nfs/dbraw/zinc/91/03/37/572910337.db2.gz JGUDTBZZKKTNOB-MNOVXSKESA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[N@H+](C)C[C@H](N)[C@H](C)CC 308185282 572910338 /nfs/dbraw/zinc/91/03/38/572910338.db2.gz JGUDTBZZKKTNOB-MNOVXSKESA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCN(CC=C)[C@@H](C)[C@H](C)C[NH3+] 86311001 572909419 /nfs/dbraw/zinc/90/94/19/572909419.db2.gz OLZHYZGISWFTFG-MNOVXSKESA-N 1 3 182.311 1.644 10 30 ADEEHO C=CCN(CC=C)[C@@H](C)[C@@H](C)C[NH3+] 86311000 572909612 /nfs/dbraw/zinc/90/96/12/572909612.db2.gz OLZHYZGISWFTFG-QWRGUYRKSA-N 1 3 182.311 1.644 10 30 ADEEHO C=CCN(CC=C)[C@H](C)[C@@H](C)C[NH3+] 86310998 572911040 /nfs/dbraw/zinc/91/10/40/572911040.db2.gz OLZHYZGISWFTFG-WDEREUQCSA-N 1 3 182.311 1.644 10 30 ADEEHO C=CCN(CC=C)[C@H](C)[C@H](C)C[NH3+] 86310999 572911295 /nfs/dbraw/zinc/91/12/95/572911295.db2.gz OLZHYZGISWFTFG-GHMZBOCLSA-N 1 3 182.311 1.644 10 30 ADEEHO C=CCC[N@@H+](C)C[C@H](N)[C@@H](C)CC 308185283 572911561 /nfs/dbraw/zinc/91/15/61/572911561.db2.gz JGUDTBZZKKTNOB-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[N@H+](C)C[C@H](N)[C@@H](C)CC 308185283 572911562 /nfs/dbraw/zinc/91/15/62/572911562.db2.gz JGUDTBZZKKTNOB-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[N@@H+](C)C[C@@H](N)[C@H](C)CC 308185281 572911672 /nfs/dbraw/zinc/91/16/72/572911672.db2.gz JGUDTBZZKKTNOB-GHMZBOCLSA-N 1 3 184.327 1.868 10 30 ADEEHO C=CCC[N@H+](C)C[C@@H](N)[C@H](C)CC 308185281 572911674 /nfs/dbraw/zinc/91/16/74/572911674.db2.gz JGUDTBZZKKTNOB-GHMZBOCLSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)C[N@@H+](CC)[C@H](C)[C@@H](C)CN 86311365 572913381 /nfs/dbraw/zinc/91/33/81/572913381.db2.gz APHJWOBFZSLQMO-WDEREUQCSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)C[N@H+](CC)[C@H](C)[C@@H](C)CN 86311365 572913383 /nfs/dbraw/zinc/91/33/83/572913383.db2.gz APHJWOBFZSLQMO-WDEREUQCSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)CN(CC)[C@H](C)[C@@H](C)C[NH3+] 86311365 572913386 /nfs/dbraw/zinc/91/33/86/572913386.db2.gz APHJWOBFZSLQMO-WDEREUQCSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)C[N@@H+](CC)[C@@H](C)[C@@H](C)CN 86311364 572914318 /nfs/dbraw/zinc/91/43/18/572914318.db2.gz APHJWOBFZSLQMO-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)C[N@H+](CC)[C@@H](C)[C@@H](C)CN 86311364 572914321 /nfs/dbraw/zinc/91/43/21/572914321.db2.gz APHJWOBFZSLQMO-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)CN(CC)[C@@H](C)[C@@H](C)C[NH3+] 86311364 572914324 /nfs/dbraw/zinc/91/43/24/572914324.db2.gz APHJWOBFZSLQMO-QWRGUYRKSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C[NH2+]C)CN1CCC[C@@H](C)[C@H]1C 299967651 572915472 /nfs/dbraw/zinc/91/54/72/572915472.db2.gz XPPLYHNHYHRLJA-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C[NH3+])CN(CC)CC(C)(C)C 308188497 572915549 /nfs/dbraw/zinc/91/55/49/572915549.db2.gz HMVSOXDMPBWETH-UHFFFAOYSA-N 1 3 184.327 1.869 10 30 ADEEHO C=CCNC(=N)SC(=[NH2+])NCC=C 238067513 572918184 /nfs/dbraw/zinc/91/81/84/572918184.db2.gz DKYYGHPDHQYXRP-UHFFFAOYSA-N 1 3 198.295 1.140 10 30 ADEEHO C#CCN(CC=C)[C@H](C)CCC[NH3+] 308189536 572918572 /nfs/dbraw/zinc/91/85/72/572918572.db2.gz IHUFKIIEVWLTID-LLVKDONJSA-N 1 3 180.295 1.235 10 30 ADEEHO C=CCC[N@@H+](C)C[C@@H](N)CC1CC1 308192724 572920890 /nfs/dbraw/zinc/92/08/90/572920890.db2.gz OTLFMVCQHWSCSI-NSHDSACASA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@H+](C)C[C@@H](N)CC1CC1 308192724 572920891 /nfs/dbraw/zinc/92/08/91/572920891.db2.gz OTLFMVCQHWSCSI-NSHDSACASA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCCN(C)[C@H](C)CC[NH2+]CC 308190060 572921459 /nfs/dbraw/zinc/92/14/59/572921459.db2.gz NAAUSTVKVWNSON-LLVKDONJSA-N 1 3 184.327 1.882 10 30 ADEEHO C=CCC[N@@H+](C)[C@H](C)CCNCC 308190060 572921461 /nfs/dbraw/zinc/92/14/61/572921461.db2.gz NAAUSTVKVWNSON-LLVKDONJSA-N 1 3 184.327 1.882 10 30 ADEEHO C=CCC[N@H+](C)[C@H](C)CCNCC 308190060 572921464 /nfs/dbraw/zinc/92/14/64/572921464.db2.gz NAAUSTVKVWNSON-LLVKDONJSA-N 1 3 184.327 1.882 10 30 ADEEHO C=CCCCNC[C@@H]1CCCC[NH2+]1 308191563 572925927 /nfs/dbraw/zinc/92/59/27/572925927.db2.gz OBDUFNBCTLYCJM-NSHDSACASA-N 1 3 182.311 1.684 10 30 ADEEHO C=CCCCNC[C@H]1CCCC[NH2+]1 308191562 572926556 /nfs/dbraw/zinc/92/65/56/572926556.db2.gz OBDUFNBCTLYCJM-LLVKDONJSA-N 1 3 182.311 1.684 10 30 ADEEHO C=CCCN(C)[C@@H]1CC[C@H]1C[NH2+]C 308198826 572926970 /nfs/dbraw/zinc/92/69/70/572926970.db2.gz TUAMJQZPBYQHEI-WDEREUQCSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCC[N@@H+](C)C[C@@](C)(N)C1CC1 308207310 572927197 /nfs/dbraw/zinc/92/71/97/572927197.db2.gz ZXBCESVSAWXYIW-LLVKDONJSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@H+](C)C[C@@](C)(N)C1CC1 308207310 572927199 /nfs/dbraw/zinc/92/71/99/572927199.db2.gz ZXBCESVSAWXYIW-LLVKDONJSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCCN(C)[C@H]1CC[C@H]1C[NH2+]C 308198824 572927555 /nfs/dbraw/zinc/92/75/55/572927555.db2.gz TUAMJQZPBYQHEI-QWRGUYRKSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCCN(C)[C@@H]1CC[C@@H]1C[NH2+]C 308198821 572927585 /nfs/dbraw/zinc/92/75/85/572927585.db2.gz TUAMJQZPBYQHEI-GHMZBOCLSA-N 1 3 182.311 1.492 10 30 ADEEHO C#CCN(CC=C)CC[C@H](C)C[NH3+] 308201400 572928341 /nfs/dbraw/zinc/92/83/41/572928341.db2.gz QCICUYAVDCKPMV-NSHDSACASA-N 1 3 180.295 1.093 10 30 ADEEHO C#CCN(CC=C)CC[C@@H](C)C[NH3+] 308201396 572928621 /nfs/dbraw/zinc/92/86/21/572928621.db2.gz QCICUYAVDCKPMV-LLVKDONJSA-N 1 3 180.295 1.093 10 30 ADEEHO C=CCCN(C)C[C@H]1C[NH2+]C[C@@H]1C 308204423 572933072 /nfs/dbraw/zinc/93/30/72/572933072.db2.gz XNCLYOBHQBNNSV-WDEREUQCSA-N 1 3 182.311 1.350 10 30 ADEEHO C=CCCN(C)C[C@H]1C[NH2+]C[C@H]1C 308204420 572934525 /nfs/dbraw/zinc/93/45/25/572934525.db2.gz XNCLYOBHQBNNSV-GHMZBOCLSA-N 1 3 182.311 1.350 10 30 ADEEHO C=CCCN(C)CC[C@@H]([NH3+])C1CC1 308195263 572937433 /nfs/dbraw/zinc/93/74/33/572937433.db2.gz QPFTYPXUGYRZEE-LLVKDONJSA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCN(CC=C)CCCCC[NH3+] 308195952 572939234 /nfs/dbraw/zinc/93/92/34/572939234.db2.gz MQTAIERCWMLMLU-UHFFFAOYSA-N 1 3 180.295 1.237 10 30 ADEEHO C=CCC[N@@H+](C)C[C@@H](CN)C(C)C 308197151 572940107 /nfs/dbraw/zinc/94/01/07/572940107.db2.gz RURRQPHIRHJAME-LLVKDONJSA-N 1 3 184.327 1.725 10 30 ADEEHO C=CCC[N@H+](C)C[C@@H](CN)C(C)C 308197151 572940109 /nfs/dbraw/zinc/94/01/09/572940109.db2.gz RURRQPHIRHJAME-LLVKDONJSA-N 1 3 184.327 1.725 10 30 ADEEHO C=CCCN(C)C[C@@H](C[NH3+])C(C)C 308197151 572940110 /nfs/dbraw/zinc/94/01/10/572940110.db2.gz RURRQPHIRHJAME-LLVKDONJSA-N 1 3 184.327 1.725 10 30 ADEEHO C=CCC[N@@H+](C)C[C@H](CN)C(C)C 308197152 572940665 /nfs/dbraw/zinc/94/06/65/572940665.db2.gz RURRQPHIRHJAME-NSHDSACASA-N 1 3 184.327 1.725 10 30 ADEEHO C=CCC[N@H+](C)C[C@H](CN)C(C)C 308197152 572940668 /nfs/dbraw/zinc/94/06/68/572940668.db2.gz RURRQPHIRHJAME-NSHDSACASA-N 1 3 184.327 1.725 10 30 ADEEHO C=CCCN(C)C[C@H](C[NH3+])C(C)C 308197152 572940670 /nfs/dbraw/zinc/94/06/70/572940670.db2.gz RURRQPHIRHJAME-NSHDSACASA-N 1 3 184.327 1.725 10 30 ADEEHO C=CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 86494141 572945460 /nfs/dbraw/zinc/94/54/60/572945460.db2.gz ZPYOXZYSPDKRRT-UTUOFQBUSA-N 1 3 194.322 1.683 10 30 ADEEHO C=CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 86494137 572945494 /nfs/dbraw/zinc/94/54/94/572945494.db2.gz ZPYOXZYSPDKRRT-TUAOUCFPSA-N 1 3 194.322 1.683 10 30 ADEEHO C=CCN[C@@H](C)C[C@@H]1CCCC[NH2+]1 86498595 572945815 /nfs/dbraw/zinc/94/58/15/572945815.db2.gz ITGHQHYKWOOGJN-QWRGUYRKSA-N 1 3 182.311 1.683 10 30 ADEEHO C#CCCN[C@H](C)C[C@@H]1CCCC[NH2+]1 86499412 572946594 /nfs/dbraw/zinc/94/65/94/572946594.db2.gz MWWAKNUSMSEFBI-NEPJUHHUSA-N 1 3 194.322 1.520 10 30 ADEEHO C#CCCN[C@@H](C)C[C@@H]1CCCC[NH2+]1 86499411 572946673 /nfs/dbraw/zinc/94/66/73/572946673.db2.gz MWWAKNUSMSEFBI-RYUDHWBXSA-N 1 3 194.322 1.520 10 30 ADEEHO C#CCCN[C@@H](C)C[C@H]1CCCC[NH2+]1 86499413 572946777 /nfs/dbraw/zinc/94/67/77/572946777.db2.gz MWWAKNUSMSEFBI-NWDGAFQWSA-N 1 3 194.322 1.520 10 30 ADEEHO C=CCN[C@@H](C)C[C@H]1CCCC[NH2+]1 86498599 572946796 /nfs/dbraw/zinc/94/67/96/572946796.db2.gz ITGHQHYKWOOGJN-WDEREUQCSA-N 1 3 182.311 1.683 10 30 ADEEHO C#CCN(CC=C)C[C@@H](C)CC[NH3+] 308213710 572949462 /nfs/dbraw/zinc/94/94/62/572949462.db2.gz XYUQPZAAXQZQQY-NSHDSACASA-N 1 3 180.295 1.093 10 30 ADEEHO CN(CCCCC#N)CC(C)(C)C[NH3+] 86638268 572968976 /nfs/dbraw/zinc/96/89/76/572968976.db2.gz DAVCZNKCANJLIZ-UHFFFAOYSA-N 1 3 197.326 1.597 10 30 ADEEHO CC[C@H](CC#N)NCC1CC[NH2+]CC1 86701086 572971874 /nfs/dbraw/zinc/97/18/74/572971874.db2.gz WRLBXUMCZROYHJ-LLVKDONJSA-N 1 3 195.310 1.268 10 30 ADEEHO CC[C@@H](CC#N)NCC1CC[NH2+]CC1 86701083 572971963 /nfs/dbraw/zinc/97/19/63/572971963.db2.gz WRLBXUMCZROYHJ-NSHDSACASA-N 1 3 195.310 1.268 10 30 ADEEHO CC[C@@H](CC#N)NC1CCC([NH3+])CC1 86729852 572975344 /nfs/dbraw/zinc/97/53/44/572975344.db2.gz SGFVVRAVAWLFGC-YVNMAJEFSA-N 1 3 195.310 1.538 10 30 ADEEHO CC(=[NH2+])Nc1ccc2c(c1)CNCC2 196989037 573007113 /nfs/dbraw/zinc/00/71/13/573007113.db2.gz IWRUGNBQVVWILU-UHFFFAOYSA-N 1 3 189.262 1.341 10 30 ADEEHO C=C(CC)C[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 308475010 573009224 /nfs/dbraw/zinc/00/92/24/573009224.db2.gz KCEHCQJFSQOYQT-NEPJUHHUSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CC)C[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 308475010 573009218 /nfs/dbraw/zinc/00/92/18/573009218.db2.gz KCEHCQJFSQOYQT-NEPJUHHUSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CC)C[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 308475016 573010035 /nfs/dbraw/zinc/01/00/35/573010035.db2.gz KCEHCQJFSQOYQT-RYUDHWBXSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CC)C[N@H+]1C[C@H](C)[C@@](C)(CN)C1 308475016 573010038 /nfs/dbraw/zinc/01/00/38/573010038.db2.gz KCEHCQJFSQOYQT-RYUDHWBXSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CC)C[N@@H+]1C[C@H](C)[C@](C)(CN)C1 308475013 573010554 /nfs/dbraw/zinc/01/05/54/573010554.db2.gz KCEHCQJFSQOYQT-NWDGAFQWSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CC)C[N@H+]1C[C@H](C)[C@](C)(CN)C1 308475013 573010559 /nfs/dbraw/zinc/01/05/59/573010559.db2.gz KCEHCQJFSQOYQT-NWDGAFQWSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CC)C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 308475019 573011818 /nfs/dbraw/zinc/01/18/18/573011818.db2.gz KCEHCQJFSQOYQT-VXGBXAGGSA-N 1 3 196.338 1.869 10 30 ADEEHO C=C(CC)C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 308475019 573011824 /nfs/dbraw/zinc/01/18/24/573011824.db2.gz KCEHCQJFSQOYQT-VXGBXAGGSA-N 1 3 196.338 1.869 10 30 ADEEHO CC#CCCN[C@]1(C[NH3+])CC[C@H]1C 308225183 573012917 /nfs/dbraw/zinc/01/29/17/573012917.db2.gz QJVFTSLTAUPOEQ-MNOVXSKESA-N 1 3 180.295 1.117 10 30 ADEEHO CC#CCCN[C@@]1(C[NH3+])CC[C@H]1C 308225181 573013641 /nfs/dbraw/zinc/01/36/41/573013641.db2.gz QJVFTSLTAUPOEQ-GHMZBOCLSA-N 1 3 180.295 1.117 10 30 ADEEHO CC#CCCN[C@]1(C[NH3+])CC[C@@H]1C 308225186 573014938 /nfs/dbraw/zinc/01/49/38/573014938.db2.gz QJVFTSLTAUPOEQ-QWRGUYRKSA-N 1 3 180.295 1.117 10 30 ADEEHO C=C(C)CN[C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 308235864 573033236 /nfs/dbraw/zinc/03/32/36/573033236.db2.gz WAPFXJCYWNEYTG-VWYCJHECSA-N 1 3 180.295 1.280 10 30 ADEEHO C=CCN[C@H]1CC[N@@H+](CC)[C@H](C)C1 308234200 573046319 /nfs/dbraw/zinc/04/63/19/573046319.db2.gz QDAUBTZHLZEOHK-MNOVXSKESA-N 1 3 182.311 1.635 10 30 ADEEHO C=CCN[C@H]1CC[N@H+](CC)[C@H](C)C1 308234200 573046326 /nfs/dbraw/zinc/04/63/26/573046326.db2.gz QDAUBTZHLZEOHK-MNOVXSKESA-N 1 3 182.311 1.635 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](CC)[C@@H](C)C1 308234202 573047111 /nfs/dbraw/zinc/04/71/11/573047111.db2.gz QDAUBTZHLZEOHK-WDEREUQCSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 308234202 573047108 /nfs/dbraw/zinc/04/71/08/573047108.db2.gz QDAUBTZHLZEOHK-WDEREUQCSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[C@H](C)N1CC[C@@](C)([NH3+])C1 642826912 573048860 /nfs/dbraw/zinc/04/88/60/573048860.db2.gz NUXAFXKYJINIJO-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)CNCCC[NH2+]C(C)(C)C 308250026 573053346 /nfs/dbraw/zinc/05/33/46/573053346.db2.gz FDDIRHJQYDJEQM-UHFFFAOYSA-N 1 3 184.327 1.930 10 30 ADEEHO C=CCN(CC)C[C@](C)(CC)C[NH3+] 128518374 573055810 /nfs/dbraw/zinc/05/58/10/573055810.db2.gz BPHZPKWAFIJLQD-LLVKDONJSA-N 1 3 184.327 1.869 10 30 ADEEHO C=CC[N@@H+](CC)C[C@](C)(CC)CN 128518374 573055813 /nfs/dbraw/zinc/05/58/13/573055813.db2.gz BPHZPKWAFIJLQD-LLVKDONJSA-N 1 3 184.327 1.869 10 30 ADEEHO C=CC[N@H+](CC)C[C@](C)(CC)CN 128518374 573055818 /nfs/dbraw/zinc/05/58/18/573055818.db2.gz BPHZPKWAFIJLQD-LLVKDONJSA-N 1 3 184.327 1.869 10 30 ADEEHO C=CC[N@@H+](CC)C[C@@](C)(CC)CN 128518143 573057760 /nfs/dbraw/zinc/05/77/60/573057760.db2.gz BPHZPKWAFIJLQD-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=CC[N@H+](CC)C[C@@](C)(CC)CN 128518143 573057767 /nfs/dbraw/zinc/05/77/67/573057767.db2.gz BPHZPKWAFIJLQD-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=CCN(CC)C[C@@](C)(CC)C[NH3+] 128518143 573057754 /nfs/dbraw/zinc/05/77/54/573057754.db2.gz BPHZPKWAFIJLQD-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C#C[C@@H](CCC)NCCC(C)(C)[NH3+] 308239047 573059254 /nfs/dbraw/zinc/05/92/54/573059254.db2.gz XGPRZRWUIDUIIT-JTQLQIEISA-N 1 3 182.311 1.505 10 30 ADEEHO C#C[C@H](CCC)NCCC(C)(C)[NH3+] 308239049 573059667 /nfs/dbraw/zinc/05/96/67/573059667.db2.gz XGPRZRWUIDUIIT-SNVBAGLBSA-N 1 3 182.311 1.505 10 30 ADEEHO CC#CCN1CCC([C@@H](C)[NH3+])CC1 82475114 573065936 /nfs/dbraw/zinc/06/59/36/573065936.db2.gz PSKNAFUYYYKGAY-SNVBAGLBSA-N 1 3 180.295 1.069 10 30 ADEEHO C=C[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C 308495120 573069065 /nfs/dbraw/zinc/06/90/65/573069065.db2.gz CXKMTAABEPLILP-GRYCIOLGSA-N 1 3 196.338 1.879 10 30 ADEEHO C=C[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C 308495134 573069550 /nfs/dbraw/zinc/06/95/50/573069550.db2.gz CXKMTAABEPLILP-WOPDTQHZSA-N 1 3 196.338 1.879 10 30 ADEEHO C=C[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C 308495134 573069546 /nfs/dbraw/zinc/06/95/46/573069546.db2.gz CXKMTAABEPLILP-WOPDTQHZSA-N 1 3 196.338 1.879 10 30 ADEEHO C=CCN(C)Cc1ccccc1C[NH3+] 131997201 573134460 /nfs/dbraw/zinc/13/44/60/573134460.db2.gz JUACPQDMFQSBIY-UHFFFAOYSA-N 1 3 190.290 1.763 10 30 ADEEHO CC(=[NH2+])NCCCNc1ccncc1 308885187 573146368 /nfs/dbraw/zinc/14/63/68/573146368.db2.gz SIAVOMLKRLSMKD-UHFFFAOYSA-N 1 3 192.266 1.261 10 30 ADEEHO C=CCNC[C@H](CC)C[NH2+]C 258561685 573163544 /nfs/dbraw/zinc/16/35/44/573163544.db2.gz BSWOUHKRLPQOSS-SECBINFHSA-N 1 3 156.273 1.008 10 30 ADEEHO C=CCCN(C)Cc1occc1C[NH3+] 308512144 573164836 /nfs/dbraw/zinc/16/48/36/573164836.db2.gz CPRZYWIFTDJSQT-UHFFFAOYSA-N 1 3 194.278 1.746 10 30 ADEEHO C=CCC[NH2+][C@@H](C)CNCC(C)C 128990490 573169271 /nfs/dbraw/zinc/16/92/71/573169271.db2.gz MUEAFZVRKSHZTO-NSHDSACASA-N 1 3 184.327 1.786 10 30 ADEEHO C[C@@H](CC#N)N(C)C1CCC([NH3+])CC1 85869859 573173060 /nfs/dbraw/zinc/17/30/60/573173060.db2.gz MBLBSTFVASVPKP-WHXUTIOJSA-N 1 3 195.310 1.490 10 30 ADEEHO C[C@@H](C#N)CN(C)C1CCC([NH3+])CC1 85869757 573173587 /nfs/dbraw/zinc/17/35/87/573173587.db2.gz UOPMUOVNDDPMDA-WHXUTIOJSA-N 1 3 195.310 1.348 10 30 ADEEHO C[C@H](CC#N)N(C)C1CCC([NH3+])CC1 85869860 573174788 /nfs/dbraw/zinc/17/47/88/573174788.db2.gz MBLBSTFVASVPKP-KPPDAEKUSA-N 1 3 195.310 1.490 10 30 ADEEHO C=C(C)CN[C@H](C[NH3+])[C@@H](C)C(C)C 308292207 573175213 /nfs/dbraw/zinc/17/52/13/573175213.db2.gz LJYSFIORFGPVEE-WDEREUQCSA-N 1 3 184.327 1.772 10 30 ADEEHO C=C(C)CN[C@@H](C[NH3+])[C@H](C)C(C)C 308292205 573175315 /nfs/dbraw/zinc/17/53/15/573175315.db2.gz LJYSFIORFGPVEE-MNOVXSKESA-N 1 3 184.327 1.772 10 30 ADEEHO C[C@H](C#N)CN(C)C1CCC([NH3+])CC1 85869754 573176473 /nfs/dbraw/zinc/17/64/73/573176473.db2.gz UOPMUOVNDDPMDA-KPPDAEKUSA-N 1 3 195.310 1.348 10 30 ADEEHO C=C(C)CN[C@@H](C[NH3+])[C@@H](C)C(C)C 308292206 573178235 /nfs/dbraw/zinc/17/82/35/573178235.db2.gz LJYSFIORFGPVEE-QWRGUYRKSA-N 1 3 184.327 1.772 10 30 ADEEHO C=CCN1CCC(C)(C)[C@H](C[NH3+])C1 259356129 573179179 /nfs/dbraw/zinc/17/91/79/573179179.db2.gz UEFCCUZKXUHNPE-SNVBAGLBSA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCCC[NH2+][C@H](C)CCN 129014350 573179338 /nfs/dbraw/zinc/17/93/38/573179338.db2.gz DNIIXWMCKPFJHW-SECBINFHSA-N 1 3 156.273 1.280 10 30 ADEEHO C=C(CN)C[N@H+]1CC(C)(C)C1(C)C 642829003 573180282 /nfs/dbraw/zinc/18/02/82/573180282.db2.gz MFVVFMQSCHMMAT-UHFFFAOYSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(CN)C[N@@H+]1CC(C)(C)C1(C)C 642829003 573180286 /nfs/dbraw/zinc/18/02/86/573180286.db2.gz MFVVFMQSCHMMAT-UHFFFAOYSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN1CCC(C)(C)[C@@H](C[NH3+])C1 259356126 573181484 /nfs/dbraw/zinc/18/14/84/573181484.db2.gz UEFCCUZKXUHNPE-JTQLQIEISA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCCN(C)C[C@]1(C)CCC[NH2+]C1 308515867 573193368 /nfs/dbraw/zinc/19/33/68/573193368.db2.gz FGMUMODOYFNMTM-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCC[N@@H+](C)C[C@]1(C)CCCNC1 308515867 573193372 /nfs/dbraw/zinc/19/33/72/573193372.db2.gz FGMUMODOYFNMTM-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCC[N@H+](C)C[C@]1(C)CCCNC1 308515867 573193375 /nfs/dbraw/zinc/19/33/75/573193375.db2.gz FGMUMODOYFNMTM-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCN(C)C[C@]1(CC)CC[NH2+]C1 308517226 573201552 /nfs/dbraw/zinc/20/15/52/573201552.db2.gz FQXNZJRRKDMKPA-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCN(C)C[C@@]1(CC)CC[NH2+]C1 308517227 573201781 /nfs/dbraw/zinc/20/17/81/573201781.db2.gz FQXNZJRRKDMKPA-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCN(C(C)C)[C@H](C)CC[NH3+] 132101495 573210969 /nfs/dbraw/zinc/21/09/69/573210969.db2.gz QBGPLNJJRKPCIK-SNVBAGLBSA-N 1 3 170.300 1.620 10 30 ADEEHO C#CC[C@H](CC)[NH2+][C@@H]1CCC[C@H](N)C1 252913616 573207294 /nfs/dbraw/zinc/20/72/94/573207294.db2.gz OKLZHSKQJKPJJE-SDDRHHMPSA-N 1 3 194.322 1.648 10 30 ADEEHO C#C[C@@H](NCCC(C)(C)[NH3+])C(C)C 308200103 573210114 /nfs/dbraw/zinc/21/01/14/573210114.db2.gz PFYWVXLBIWFEDE-SNVBAGLBSA-N 1 3 182.311 1.361 10 30 ADEEHO C=CC[N@@H+](C(C)C)[C@H](C)CCN 132101495 573210957 /nfs/dbraw/zinc/21/09/57/573210957.db2.gz QBGPLNJJRKPCIK-SNVBAGLBSA-N 1 3 170.300 1.620 10 30 ADEEHO C=CC[N@H+](C(C)C)[C@H](C)CCN 132101495 573210962 /nfs/dbraw/zinc/21/09/62/573210962.db2.gz QBGPLNJJRKPCIK-SNVBAGLBSA-N 1 3 170.300 1.620 10 30 ADEEHO C=C(CC)C[NH2+]C[C@@H](CN)C(C)C 313477553 573211121 /nfs/dbraw/zinc/21/11/21/573211121.db2.gz BSQNQVOIYGYAEE-LLVKDONJSA-N 1 3 184.327 1.773 10 30 ADEEHO C=C(CC)CNC[C@@H](C[NH3+])C(C)C 313477553 573211127 /nfs/dbraw/zinc/21/11/27/573211127.db2.gz BSQNQVOIYGYAEE-LLVKDONJSA-N 1 3 184.327 1.773 10 30 ADEEHO C=CCN(C(C)C)[C@H]1CC[C@@H]1C[NH3+] 132116532 573213968 /nfs/dbraw/zinc/21/39/68/573213968.db2.gz NQHNYTZWLPWNHU-MNOVXSKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[N@@H+](C(C)C)[C@H]1CC[C@@H]1CN 132116532 573213973 /nfs/dbraw/zinc/21/39/73/573213973.db2.gz NQHNYTZWLPWNHU-MNOVXSKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[N@H+](C(C)C)[C@H]1CC[C@@H]1CN 132116532 573213978 /nfs/dbraw/zinc/21/39/78/573213978.db2.gz NQHNYTZWLPWNHU-MNOVXSKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=CCCCC[NH2+]C[C@@H]1CCCNC1 308517294 573215900 /nfs/dbraw/zinc/21/59/00/573215900.db2.gz VQQNTXKKQVWZKW-LBPRGKRZSA-N 1 3 196.338 1.932 10 30 ADEEHO C=CCN(C(C)C)[C@@H]1CC[C@@H]1C[NH2+]C 132105160 573215850 /nfs/dbraw/zinc/21/58/50/573215850.db2.gz YIWYYDNURVGIBO-VXGBXAGGSA-N 1 3 196.338 1.881 10 30 ADEEHO C=CCN(C(C)C)[C@H]1CC[C@@H]1C[NH2+]C 132105388 573216111 /nfs/dbraw/zinc/21/61/11/573216111.db2.gz YIWYYDNURVGIBO-NEPJUHHUSA-N 1 3 196.338 1.881 10 30 ADEEHO C=CCN(C1CC1)[C@H](C)[C@H](C)C[NH2+]C 132138492 573226604 /nfs/dbraw/zinc/22/66/04/573226604.db2.gz NOYWUDVIUUMHCG-GHMZBOCLSA-N 1 3 196.338 1.881 10 30 ADEEHO C=CCN(C1CC1)[C@@H](C)[C@H](C)C[NH2+]C 132138857 573227537 /nfs/dbraw/zinc/22/75/37/573227537.db2.gz NOYWUDVIUUMHCG-MNOVXSKESA-N 1 3 196.338 1.881 10 30 ADEEHO C=CCN(C1CC1)[C@H](C)[C@@H](C)C[NH3+] 132152068 573232930 /nfs/dbraw/zinc/23/29/30/573232930.db2.gz OHSSGFDFCOTVQY-VHSXEESVSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CCN(C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 132153258 573234203 /nfs/dbraw/zinc/23/42/03/573234203.db2.gz NHTILKKOSODTLZ-MWLCHTKSSA-N 1 3 180.295 1.374 10 30 ADEEHO CC(C)(C#N)CNCC1CC[NH2+]CC1 129198364 573253093 /nfs/dbraw/zinc/25/30/93/573253093.db2.gz SIAQXVIYODJWJR-UHFFFAOYSA-N 1 3 195.310 1.125 10 30 ADEEHO C=CCCN(C)[C@@H]1CC[C@H]1C[NH2+]CC 308541805 573290980 /nfs/dbraw/zinc/29/09/80/573290980.db2.gz MXTNSCHKGQCFFK-NWDGAFQWSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCCN(C)[C@H]1CC[C@@H]1C[NH2+]CC 308541803 573291036 /nfs/dbraw/zinc/29/10/36/573291036.db2.gz MXTNSCHKGQCFFK-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@@H](C)[C@@H](N)C(C)(C)[NH+](C)C 715758560 573292583 /nfs/dbraw/zinc/29/25/83/573292583.db2.gz RULAPZLHYXAVCD-NXEZZACHSA-N 1 3 184.327 1.866 10 30 ADEEHO C=CC[C@H](C)[C@H](N)C(C)(C)[NH+](C)C 715758566 573295081 /nfs/dbraw/zinc/29/50/81/573295081.db2.gz RULAPZLHYXAVCD-UWVGGRQHSA-N 1 3 184.327 1.866 10 30 ADEEHO CNCC#CC[C@H]1CCCC[N@@H+]1C 258000818 573310769 /nfs/dbraw/zinc/31/07/69/573310769.db2.gz AHGGHDNOSLRQFU-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO CNCC#CC[C@H]1CCCC[N@H+]1C 258000818 573310776 /nfs/dbraw/zinc/31/07/76/573310776.db2.gz AHGGHDNOSLRQFU-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO C=CC[N@H+]1C[C@H](CC)NCC[C@H]1C 82943361 573311001 /nfs/dbraw/zinc/31/10/01/573311001.db2.gz WMOMBJGUTKFKLE-MNOVXSKESA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[N@@H+]1C[C@H](CC)NCC[C@H]1C 82943361 573311005 /nfs/dbraw/zinc/31/10/05/573311005.db2.gz WMOMBJGUTKFKLE-MNOVXSKESA-N 1 3 182.311 1.635 10 30 ADEEHO C=C(C)CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C 308553413 573320881 /nfs/dbraw/zinc/32/08/81/573320881.db2.gz YKGUQYCEEFJOSR-NWDGAFQWSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)CN[C@@H]1CC[N@H+](CC)C[C@@H]1C 308553413 573320884 /nfs/dbraw/zinc/32/08/84/573320884.db2.gz YKGUQYCEEFJOSR-NWDGAFQWSA-N 1 3 196.338 1.882 10 30 ADEEHO C[C@H](CNCCCC#N)C[NH+](C)C 308348620 573323386 /nfs/dbraw/zinc/32/33/86/573323386.db2.gz XFMAIHUADKMKFR-SNVBAGLBSA-N 1 3 183.299 1.077 10 30 ADEEHO C[C@H](C[NH2+]CCCC#N)CN(C)C 308348620 573323392 /nfs/dbraw/zinc/32/33/92/573323392.db2.gz XFMAIHUADKMKFR-SNVBAGLBSA-N 1 3 183.299 1.077 10 30 ADEEHO CC#CCCN[C@]1(C[NH3+])CCC1(C)C 308560844 573336526 /nfs/dbraw/zinc/33/65/26/573336526.db2.gz XEAUBRBAHKQFMR-LBPRGKRZSA-N 1 3 194.322 1.507 10 30 ADEEHO CC(C)N(CCC#N)[C@@H](C)CCC[NH3+] 308560887 573351029 /nfs/dbraw/zinc/35/10/29/573351029.db2.gz XGMKOGGTIKRYHQ-NSHDSACASA-N 1 3 197.326 1.738 10 30 ADEEHO CC(C)N(CCC#N)[C@H](C)CCC[NH3+] 308560886 573352372 /nfs/dbraw/zinc/35/23/72/573352372.db2.gz XGMKOGGTIKRYHQ-LLVKDONJSA-N 1 3 197.326 1.738 10 30 ADEEHO CC(C)[N@@H+]1CCCC[C@@H]1C#CCN 258296245 573360230 /nfs/dbraw/zinc/36/02/30/573360230.db2.gz UHCUTQZITWEJIM-LLVKDONJSA-N 1 3 180.295 1.211 10 30 ADEEHO CC(C)[N@H+]1CCCC[C@@H]1C#CCN 258296245 573360232 /nfs/dbraw/zinc/36/02/32/573360232.db2.gz UHCUTQZITWEJIM-LLVKDONJSA-N 1 3 180.295 1.211 10 30 ADEEHO CC(C)[NH+]1CCC(CC#CCN)CC1 258314192 573364755 /nfs/dbraw/zinc/36/47/55/573364755.db2.gz VNYDMQAGHZFVFB-UHFFFAOYSA-N 1 3 194.322 1.459 10 30 ADEEHO C=C(CNC)[C@@H]1CCCC[N@@H+]1C 258015716 573372289 /nfs/dbraw/zinc/37/22/89/573372289.db2.gz BILVAHRCHUUXDI-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(CNC)[C@@H]1CCCC[N@H+]1C 258015716 573372293 /nfs/dbraw/zinc/37/22/93/573372293.db2.gz BILVAHRCHUUXDI-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO C#CCN(C)CC[C@H]1CCCC[C@@H]1[NH3+] 308566782 573385267 /nfs/dbraw/zinc/38/52/67/573385267.db2.gz IBORZFJIWWCVNU-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](C)C[C@@H]1CCC 308573429 573400445 /nfs/dbraw/zinc/40/04/45/573400445.db2.gz CSIJSPHAQYIEKL-NWDGAFQWSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](C)C[C@@H]1CCC 308573429 573400450 /nfs/dbraw/zinc/40/04/50/573400450.db2.gz CSIJSPHAQYIEKL-NWDGAFQWSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN[C@H]1CC[N@@H+](C)C[C@H]1CCC 308573419 573401940 /nfs/dbraw/zinc/40/19/40/573401940.db2.gz CSIJSPHAQYIEKL-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN[C@H]1CC[N@H+](C)C[C@H]1CCC 308573419 573401944 /nfs/dbraw/zinc/40/19/44/573401944.db2.gz CSIJSPHAQYIEKL-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCC[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 308578852 573411260 /nfs/dbraw/zinc/41/12/60/573411260.db2.gz OCBIYTHJBLEUCO-VXGBXAGGSA-N 1 3 194.322 1.623 10 30 ADEEHO C=CCC[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 308578852 573411263 /nfs/dbraw/zinc/41/12/63/573411263.db2.gz OCBIYTHJBLEUCO-VXGBXAGGSA-N 1 3 194.322 1.623 10 30 ADEEHO C=CCN1C[C@H](C[NH2+]C)CCC1(C)C 259448613 573435325 /nfs/dbraw/zinc/43/53/25/573435325.db2.gz OZPFZSBQEMPVKG-NSHDSACASA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN1CC[C@@H](C[NH2+]C)[C@H]1C 259102996 573437500 /nfs/dbraw/zinc/43/75/00/573437500.db2.gz ANOZIZDGNGQTBV-ZJUUUORDSA-N 1 3 168.284 1.102 10 30 ADEEHO C=CCN1CC[C@@H](C[NH2+]C)[C@@H]1C 259102989 573441056 /nfs/dbraw/zinc/44/10/56/573441056.db2.gz ANOZIZDGNGQTBV-UWVGGRQHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=CCN1CC[C@H](C[NH2+]C)[C@H]1C 259102987 573438506 /nfs/dbraw/zinc/43/85/06/573438506.db2.gz ANOZIZDGNGQTBV-NXEZZACHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=CCN1CC[C@H](C[NH2+]C)[C@@H]1C 259102993 573438723 /nfs/dbraw/zinc/43/87/23/573438723.db2.gz ANOZIZDGNGQTBV-VHSXEESVSA-N 1 3 168.284 1.102 10 30 ADEEHO CC#CCCN[C@]1(C[NH3+])C[C@H](C)[C@@H]1C 308582470 573439249 /nfs/dbraw/zinc/43/92/49/573439249.db2.gz QCQBWFWPPQKZSS-SRVKXCTJSA-N 1 3 194.322 1.363 10 30 ADEEHO CC#CCCN[C@]1(C[NH3+])C[C@@H](C)[C@H]1C 308582472 573439594 /nfs/dbraw/zinc/43/95/94/573439594.db2.gz QCQBWFWPPQKZSS-UTUOFQBUSA-N 1 3 194.322 1.363 10 30 ADEEHO C=CCN(CC#CC[NH3+])C(C)(C)C 717425929 573439833 /nfs/dbraw/zinc/43/98/33/573439833.db2.gz CUQQJXDEYBYJEH-UHFFFAOYSA-N 1 3 180.295 1.235 10 30 ADEEHO CC#CCCN[C@]1(C[NH3+])C[C@@H](C)[C@@H]1C 308582473 573439894 /nfs/dbraw/zinc/43/98/94/573439894.db2.gz QCQBWFWPPQKZSS-WOPDTQHZSA-N 1 3 194.322 1.363 10 30 ADEEHO CC#CCCN[C@]1(C[NH3+])C[C@H](C)[C@H]1C 308582471 573440010 /nfs/dbraw/zinc/44/00/10/573440010.db2.gz QCQBWFWPPQKZSS-TUAOUCFPSA-N 1 3 194.322 1.363 10 30 ADEEHO C[N@H+](CC#CCN)CC1CCCC1 717425910 573441309 /nfs/dbraw/zinc/44/13/09/573441309.db2.gz CKDZOQCBVWSERN-UHFFFAOYSA-N 1 3 180.295 1.071 10 30 ADEEHO C[N@@H+](CC#CCN)CC1CCCC1 717425910 573441313 /nfs/dbraw/zinc/44/13/13/573441313.db2.gz CKDZOQCBVWSERN-UHFFFAOYSA-N 1 3 180.295 1.071 10 30 ADEEHO C=CCN[C@@H](C)CC[NH+](C)C 50522210 573442938 /nfs/dbraw/zinc/44/29/38/573442938.db2.gz FVZXBKPAAJCTPK-VIFPVBQESA-N 1 3 156.273 1.102 10 30 ADEEHO C=C(C[NH3+])[C@H]1CCCCN1CC 258355523 573443650 /nfs/dbraw/zinc/44/36/50/573443650.db2.gz YVUQRPPDCBQUHD-SNVBAGLBSA-N 1 3 168.284 1.376 10 30 ADEEHO C[N@H+](CC#CCN)CC1CC(C)(C)C1 717425930 573443767 /nfs/dbraw/zinc/44/37/67/573443767.db2.gz CUTREFMESKWDBO-UHFFFAOYSA-N 1 3 194.322 1.317 10 30 ADEEHO C[N@@H+](CC#CCN)CC1CC(C)(C)C1 717425930 573443772 /nfs/dbraw/zinc/44/37/72/573443772.db2.gz CUTREFMESKWDBO-UHFFFAOYSA-N 1 3 194.322 1.317 10 30 ADEEHO C=CCN[C@H](C)CC[NH+](C)C 50522212 573444400 /nfs/dbraw/zinc/44/44/00/573444400.db2.gz FVZXBKPAAJCTPK-SECBINFHSA-N 1 3 156.273 1.102 10 30 ADEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@H](CN)C1 308587716 573447137 /nfs/dbraw/zinc/44/71/37/573447137.db2.gz SYORFFPNLHIDRF-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[C@@H](C)[N@H+]1CC[C@H](CN)C1 308587716 573447142 /nfs/dbraw/zinc/44/71/42/573447142.db2.gz SYORFFPNLHIDRF-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO CC(C)C[C@H]1CC[N@H+](CC#CCN)C1 717426592 573448619 /nfs/dbraw/zinc/44/86/19/573448619.db2.gz KOJJPVIUHJGXEH-GFCCVEGCSA-N 1 3 194.322 1.317 10 30 ADEEHO CC(C)C[C@H]1CC[N@@H+](CC#CCN)C1 717426592 573448625 /nfs/dbraw/zinc/44/86/25/573448625.db2.gz KOJJPVIUHJGXEH-GFCCVEGCSA-N 1 3 194.322 1.317 10 30 ADEEHO C=CCC[C@H](C)[N@@H+]1CC[C@H](CN)C1 308587717 573448718 /nfs/dbraw/zinc/44/87/18/573448718.db2.gz SYORFFPNLHIDRF-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[C@H](C)[N@H+]1CC[C@H](CN)C1 308587717 573448726 /nfs/dbraw/zinc/44/87/26/573448726.db2.gz SYORFFPNLHIDRF-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO CC(C)C[C@@H]1CC[N@H+](CC#CCN)C1 717426593 573451043 /nfs/dbraw/zinc/45/10/43/573451043.db2.gz KOJJPVIUHJGXEH-LBPRGKRZSA-N 1 3 194.322 1.317 10 30 ADEEHO CC(C)C[C@@H]1CC[N@@H+](CC#CCN)C1 717426593 573451048 /nfs/dbraw/zinc/45/10/48/573451048.db2.gz KOJJPVIUHJGXEH-LBPRGKRZSA-N 1 3 194.322 1.317 10 30 ADEEHO CCC1(C[NH2+]CC#CCN)CCC1 717427329 573452578 /nfs/dbraw/zinc/45/25/78/573452578.db2.gz RJSDRZUDXRHZIU-UHFFFAOYSA-N 1 3 180.295 1.118 10 30 ADEEHO C=C(C[NH2+]C)[C@@H]1CCCN1CC 258364439 573454985 /nfs/dbraw/zinc/45/49/85/573454985.db2.gz ZQFTZPYAFVDNCB-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C[NH2+]C)[C@H]1CCCN1CC 258364440 573455910 /nfs/dbraw/zinc/45/59/10/573455910.db2.gz ZQFTZPYAFVDNCB-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO CC(C)C[N@H+](CC#CCN)C(C)C 717436905 573462753 /nfs/dbraw/zinc/46/27/53/573462753.db2.gz HUQJJCVQXYMCNN-UHFFFAOYSA-N 1 3 182.311 1.315 10 30 ADEEHO CC(C)C[N@@H+](CC#CCN)C(C)C 717436905 573462760 /nfs/dbraw/zinc/46/27/60/573462760.db2.gz HUQJJCVQXYMCNN-UHFFFAOYSA-N 1 3 182.311 1.315 10 30 ADEEHO CC[C@H]1C[C@H](C)C[N@@H+]1CC#CCN 717443646 573465898 /nfs/dbraw/zinc/46/58/98/573465898.db2.gz XMXMIAZEMCCSGD-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO CC[C@H]1C[C@H](C)C[N@H+]1CC#CCN 717443646 573465903 /nfs/dbraw/zinc/46/59/03/573465903.db2.gz XMXMIAZEMCCSGD-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO CCCC1([NH2+]CC#CCN)CCCC1 717453462 573476230 /nfs/dbraw/zinc/47/62/30/573476230.db2.gz GZHKIDIXZYAEHC-UHFFFAOYSA-N 1 3 194.322 1.651 10 30 ADEEHO CCC1(C[NH2+]CC#CCN)CCCC1 717449210 573477019 /nfs/dbraw/zinc/47/70/19/573477019.db2.gz OROODEGIPKSQID-UHFFFAOYSA-N 1 3 194.322 1.509 10 30 ADEEHO C=CCN(CC)CC[C@@H]([NH3+])C1CC1 130136855 573478080 /nfs/dbraw/zinc/47/80/80/573478080.db2.gz RZSJKSNKKTXYKP-LLVKDONJSA-N 1 3 182.311 1.622 10 30 ADEEHO CCC1(C)CCN(CC#CC[NH3+])CC1 717449344 573478232 /nfs/dbraw/zinc/47/82/32/573478232.db2.gz PVCOTIMRHIWCDW-UHFFFAOYSA-N 1 3 194.322 1.461 10 30 ADEEHO CCC1(C)CC[NH+](CC#CCN)CC1 717449344 573478240 /nfs/dbraw/zinc/47/82/40/573478240.db2.gz PVCOTIMRHIWCDW-UHFFFAOYSA-N 1 3 194.322 1.461 10 30 ADEEHO CC1C(=O)ON=C1C[C@H]1CCCC[NH2+]1 107285553 573478404 /nfs/dbraw/zinc/47/84/04/573478404.db2.gz LWWPPRUOFXGGNC-HTQZYQBOSA-N 1 3 196.250 1.068 10 30 ADEEHO CC1C(=O)ON=C1C[C@@H]1CCCC[NH2+]1 107285550 573478552 /nfs/dbraw/zinc/47/85/52/573478552.db2.gz LWWPPRUOFXGGNC-SFYZADRCSA-N 1 3 196.250 1.068 10 30 ADEEHO CCC[C@@H]1CCCC[N@@H+]1CC#CCN 717449861 573478984 /nfs/dbraw/zinc/47/89/84/573478984.db2.gz VMRIVTIETUKCLN-GFCCVEGCSA-N 1 3 194.322 1.603 10 30 ADEEHO CCC[C@@H]1CCCC[N@H+]1CC#CCN 717449861 573478989 /nfs/dbraw/zinc/47/89/89/573478989.db2.gz VMRIVTIETUKCLN-GFCCVEGCSA-N 1 3 194.322 1.603 10 30 ADEEHO CC1C(=O)ON=C1C[C@@H]1CCCC[NH2+]1 107285552 573481970 /nfs/dbraw/zinc/48/19/70/573481970.db2.gz LWWPPRUOFXGGNC-YUMQZZPRSA-N 1 3 196.250 1.068 10 30 ADEEHO C[C@@H]1CCC[C@@H](C)[NH+]1CC#CCN 238406481 573489011 /nfs/dbraw/zinc/48/90/11/573489011.db2.gz FZPVKPUTRAEZQF-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO CC[C@@H](C)[N@H+](CC)CC#CCN 717457488 573495026 /nfs/dbraw/zinc/49/50/26/573495026.db2.gz VSERXGHSKLRLKM-SNVBAGLBSA-N 1 3 168.284 1.069 10 30 ADEEHO CC[C@@H](C)[N@@H+](CC)CC#CCN 717457488 573495032 /nfs/dbraw/zinc/49/50/32/573495032.db2.gz VSERXGHSKLRLKM-SNVBAGLBSA-N 1 3 168.284 1.069 10 30 ADEEHO CCC[N@H+](CC#CCN)C(C)(C)C 717456750 573496543 /nfs/dbraw/zinc/49/65/43/573496543.db2.gz IJVFNRVAQOCKNX-UHFFFAOYSA-N 1 3 182.311 1.459 10 30 ADEEHO CCC[N@@H+](CC#CCN)C(C)(C)C 717456750 573496549 /nfs/dbraw/zinc/49/65/49/573496549.db2.gz IJVFNRVAQOCKNX-UHFFFAOYSA-N 1 3 182.311 1.459 10 30 ADEEHO NCC#CC[NH+]1CCCCCCCC1 717457393 573496840 /nfs/dbraw/zinc/49/68/40/573496840.db2.gz SLHBPLJVWVMTAZ-UHFFFAOYSA-N 1 3 194.322 1.605 10 30 ADEEHO C[C@@H](CC(C)(C)C)[N@H+](C)CC#CCN 717456849 573497412 /nfs/dbraw/zinc/49/74/12/573497412.db2.gz LQSRCLXPJATAAE-NSHDSACASA-N 1 3 196.338 1.705 10 30 ADEEHO C[C@@H](CC(C)(C)C)[N@@H+](C)CC#CCN 717456849 573497417 /nfs/dbraw/zinc/49/74/17/573497417.db2.gz LQSRCLXPJATAAE-NSHDSACASA-N 1 3 196.338 1.705 10 30 ADEEHO C=CC[NH2+][C@H]1CCNC(C)(C)C1 258697642 573497889 /nfs/dbraw/zinc/49/78/89/573497889.db2.gz JUNFNIOOGHWIRK-VIFPVBQESA-N 1 3 168.284 1.293 10 30 ADEEHO C#CCN(CCC(C)(C)[NH3+])CC1CC1 130247745 573498574 /nfs/dbraw/zinc/49/85/74/573498574.db2.gz MYLFWEBJTQIYGQ-UHFFFAOYSA-N 1 3 194.322 1.459 10 30 ADEEHO CC[C@H](C)[N@H+](CC)CC#CCN 717457487 573499035 /nfs/dbraw/zinc/49/90/35/573499035.db2.gz VSERXGHSKLRLKM-JTQLQIEISA-N 1 3 168.284 1.069 10 30 ADEEHO CC[C@H](C)[N@@H+](CC)CC#CCN 717457487 573499042 /nfs/dbraw/zinc/49/90/42/573499042.db2.gz VSERXGHSKLRLKM-JTQLQIEISA-N 1 3 168.284 1.069 10 30 ADEEHO C=CCNCc1ccc(C[NH3+])cc1 258704112 573502527 /nfs/dbraw/zinc/50/25/27/573502527.db2.gz KIPXZVSVFRCOQV-UHFFFAOYSA-N 1 3 176.263 1.421 10 30 ADEEHO C=CC[NH2+][C@@H]1CCNC(C)(C)C1 258697639 573502660 /nfs/dbraw/zinc/50/26/60/573502660.db2.gz JUNFNIOOGHWIRK-SECBINFHSA-N 1 3 168.284 1.293 10 30 ADEEHO C[C@H](C#N)[C@@H](C)NCCCC[NH+](C)C 308604402 573515464 /nfs/dbraw/zinc/51/54/64/573515464.db2.gz BKUABWLLFAKMTA-GHMZBOCLSA-N 1 3 197.326 1.466 10 30 ADEEHO C=CCC[C@H](C)N1C[C@H](C)[C@@H]([NH3+])C1 308604165 573515839 /nfs/dbraw/zinc/51/58/39/573515839.db2.gz BIDKDMRECABJMJ-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C[C@H](C#N)[C@H](C)NCCCC[NH+](C)C 308604414 573516125 /nfs/dbraw/zinc/51/61/25/573516125.db2.gz BKUABWLLFAKMTA-MNOVXSKESA-N 1 3 197.326 1.466 10 30 ADEEHO C=CCC[C@H](C)N1C[C@@H]([NH3+])[C@H](C)C1 308604170 573516619 /nfs/dbraw/zinc/51/66/19/573516619.db2.gz BIDKDMRECABJMJ-OUAUKWLOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CCC[C@H](C)N1C[C@H](C)[C@H]([NH3+])C1 308604167 573516679 /nfs/dbraw/zinc/51/66/79/573516679.db2.gz BIDKDMRECABJMJ-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C[C@@H](C#N)[C@@H](C)NCCCC[NH+](C)C 308604438 573517297 /nfs/dbraw/zinc/51/72/97/573517297.db2.gz BKUABWLLFAKMTA-WDEREUQCSA-N 1 3 197.326 1.466 10 30 ADEEHO C=CCC[C@H](C)N1C[C@@H](C)[C@@H]([NH3+])C1 308604171 573518641 /nfs/dbraw/zinc/51/86/41/573518641.db2.gz BIDKDMRECABJMJ-VWYCJHECSA-N 1 3 182.311 1.620 10 30 ADEEHO C[C@H](NCCCC[NH+](C)C)[C@@H](C)C#N 308604426 573520036 /nfs/dbraw/zinc/52/00/36/573520036.db2.gz BKUABWLLFAKMTA-QWRGUYRKSA-N 1 3 197.326 1.466 10 30 ADEEHO C[N@@H+]1CCC[C@H](NCCCC#N)CC1 308610907 573520118 /nfs/dbraw/zinc/52/01/18/573520118.db2.gz QROMSOFATTUTRQ-NSHDSACASA-N 1 3 195.310 1.364 10 30 ADEEHO C[N@H+]1CCC[C@H](NCCCC#N)CC1 308610907 573520125 /nfs/dbraw/zinc/52/01/25/573520125.db2.gz QROMSOFATTUTRQ-NSHDSACASA-N 1 3 195.310 1.364 10 30 ADEEHO C=CCNCc1cccc(C[NH3+])c1 258743871 573525060 /nfs/dbraw/zinc/52/50/60/573525060.db2.gz NOHWLRRFUUFQDQ-UHFFFAOYSA-N 1 3 176.263 1.421 10 30 ADEEHO C[C@@H]1C[C@]1(C)C[NH2+]CC#CCN(C)C 714706059 573525571 /nfs/dbraw/zinc/52/55/71/573525571.db2.gz FYWVKJKHQRLLKJ-VXGBXAGGSA-N 1 3 194.322 1.187 10 30 ADEEHO C=CCNC[C@@H](C[NH2+]C)C(C)C 258753387 573533039 /nfs/dbraw/zinc/53/30/39/573533039.db2.gz XDAYCPWPFVSUBD-SNVBAGLBSA-N 1 3 170.300 1.254 10 30 ADEEHO C=CCNC[C@H](C[NH2+]C)C(C)C 258753386 573534122 /nfs/dbraw/zinc/53/41/22/573534122.db2.gz XDAYCPWPFVSUBD-JTQLQIEISA-N 1 3 170.300 1.254 10 30 ADEEHO C#CCN(C)CCC[C@H](CC)CC[NH3+] 130328001 573539238 /nfs/dbraw/zinc/53/92/38/573539238.db2.gz BTMSFTKFYMZBNI-LBPRGKRZSA-N 1 3 196.338 1.707 10 30 ADEEHO C[C@@H](CCC1CC1)[N@H+](C)CC#CCN 717477034 573545083 /nfs/dbraw/zinc/54/50/83/573545083.db2.gz SVZKRIGWKKFHSE-NSHDSACASA-N 1 3 194.322 1.459 10 30 ADEEHO C[C@@H](CCC1CC1)[N@@H+](C)CC#CCN 717477034 573545090 /nfs/dbraw/zinc/54/50/90/573545090.db2.gz SVZKRIGWKKFHSE-NSHDSACASA-N 1 3 194.322 1.459 10 30 ADEEHO CC[C@@H](C1CCC1)[N@H+](C)CC#CCN 717478285 573548589 /nfs/dbraw/zinc/54/85/89/573548589.db2.gz GXGGLRBPYYLPLI-LBPRGKRZSA-N 1 3 194.322 1.459 10 30 ADEEHO CC[C@@H](C1CCC1)[N@@H+](C)CC#CCN 717478285 573548595 /nfs/dbraw/zinc/54/85/95/573548595.db2.gz GXGGLRBPYYLPLI-LBPRGKRZSA-N 1 3 194.322 1.459 10 30 ADEEHO CCC1([NH2+]CC#CCN)CCCCC1 717478748 573552065 /nfs/dbraw/zinc/55/20/65/573552065.db2.gz MJEJRIBVKWEPLF-UHFFFAOYSA-N 1 3 194.322 1.651 10 30 ADEEHO C=C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN(C)C 308633789 573572739 /nfs/dbraw/zinc/57/27/39/573572739.db2.gz BVOWHFGWHJXBRV-SDDRHHMPSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)[NH2+][C@H]1CCC[C@H]1CN(C)C 308633791 573571353 /nfs/dbraw/zinc/57/13/53/573571353.db2.gz BVOWHFGWHJXBRV-SRVKXCTJSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)N[C@H]1CCC[C@H]1C[NH+](C)C 308633791 573571359 /nfs/dbraw/zinc/57/13/59/573571359.db2.gz BVOWHFGWHJXBRV-SRVKXCTJSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)N[C@@H]1CCC[C@H]1C[NH+](C)C 308633789 573572746 /nfs/dbraw/zinc/57/27/46/573572746.db2.gz BVOWHFGWHJXBRV-SDDRHHMPSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN(C)C 308633786 573571792 /nfs/dbraw/zinc/57/17/92/573571792.db2.gz BVOWHFGWHJXBRV-QJPTWQEYSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)N[C@@H]1CCC[C@@H]1C[NH+](C)C 308633786 573571794 /nfs/dbraw/zinc/57/17/94/573571794.db2.gz BVOWHFGWHJXBRV-QJPTWQEYSA-N 1 3 196.338 1.881 10 30 ADEEHO C#CCN(CCC)C[C@@H]1CCC[C@@H]1[NH3+] 130429270 573578077 /nfs/dbraw/zinc/57/80/77/573578077.db2.gz RVSJFLXGGJGPNH-RYUDHWBXSA-N 1 3 194.322 1.459 10 30 ADEEHO C=CCCCC[NH2+][C@@H]1CCNC[C@H]1C 308636442 573578951 /nfs/dbraw/zinc/57/89/51/573578951.db2.gz BCTXQXYSKFVKHH-VXGBXAGGSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCCC[NH2+][C@H]1CCNC[C@H]1C 308636439 573579435 /nfs/dbraw/zinc/57/94/35/573579435.db2.gz BCTXQXYSKFVKHH-NEPJUHHUSA-N 1 3 196.338 1.930 10 30 ADEEHO C#CCN(CC=C)CCC[C@@H](C)C[NH3+] 308639331 573581934 /nfs/dbraw/zinc/58/19/34/573581934.db2.gz CDRYWFUXKSWULY-GFCCVEGCSA-N 1 3 194.322 1.483 10 30 ADEEHO C#CCN(CCC)C[C@@H](CC)C[NH3+] 130443401 573585341 /nfs/dbraw/zinc/58/53/41/573585341.db2.gz OMJGWSXDWOHHTQ-NSHDSACASA-N 1 3 182.311 1.317 10 30 ADEEHO C#CCN(CC=C)CCC[C@H](C)C[NH3+] 308639333 573586659 /nfs/dbraw/zinc/58/66/59/573586659.db2.gz CDRYWFUXKSWULY-LBPRGKRZSA-N 1 3 194.322 1.483 10 30 ADEEHO C#CCN(CCC[NH3+])CC1CCCC1 308814051 573589420 /nfs/dbraw/zinc/58/94/20/573589420.db2.gz DOFAZCUKAWNZSB-UHFFFAOYSA-N 1 3 194.322 1.461 10 30 ADEEHO C#CCCCC[NH2+][C@H]1CCNC[C@H]1C 308641287 573591810 /nfs/dbraw/zinc/59/18/10/573591810.db2.gz DFISKQASACMLBI-NEPJUHHUSA-N 1 3 194.322 1.378 10 30 ADEEHO C#CCCCC[NH2+][C@@H]1CCNC[C@@H]1C 308641288 573591884 /nfs/dbraw/zinc/59/18/84/573591884.db2.gz DFISKQASACMLBI-NWDGAFQWSA-N 1 3 194.322 1.378 10 30 ADEEHO C#CCCC[N@H+]1CCCC[C@@H](CN)C1 308648253 573605511 /nfs/dbraw/zinc/60/55/11/573605511.db2.gz INGLDNHAKOPCEI-LBPRGKRZSA-N 1 3 194.322 1.461 10 30 ADEEHO C#CCCC[N@@H+]1CCCC[C@@H](CN)C1 308648253 573605517 /nfs/dbraw/zinc/60/55/17/573605517.db2.gz INGLDNHAKOPCEI-LBPRGKRZSA-N 1 3 194.322 1.461 10 30 ADEEHO C#C[C@H](CCC)[NH2+][C@H]1CCNC[C@@H]1C 308643079 573615311 /nfs/dbraw/zinc/61/53/11/573615311.db2.gz FCLKJNJQUQMARH-TUAOUCFPSA-N 1 3 194.322 1.376 10 30 ADEEHO C#C[C@H](CCC)[NH2+][C@@H]1CCNC[C@H]1C 308643077 573618983 /nfs/dbraw/zinc/61/89/83/573618983.db2.gz FCLKJNJQUQMARH-IJLUTSLNSA-N 1 3 194.322 1.376 10 30 ADEEHO C=CCNC1(C[NH3+])CCCCC1 83759126 573624348 /nfs/dbraw/zinc/62/43/48/573624348.db2.gz IGUKXQVRDQGIMO-UHFFFAOYSA-N 1 3 168.284 1.424 10 30 ADEEHO CC[C@@H](C#N)[C@H](N)C1CC[NH+](C)CC1 259537159 573642233 /nfs/dbraw/zinc/64/22/33/573642233.db2.gz TXFBOPMVVAEDON-ONGXEEELSA-N 1 3 195.310 1.205 10 30 ADEEHO CC[C@H](C#N)[C@H](N)C1CC[NH+](C)CC1 259537157 573642508 /nfs/dbraw/zinc/64/25/08/573642508.db2.gz TXFBOPMVVAEDON-KOLCDFICSA-N 1 3 195.310 1.205 10 30 ADEEHO C#CCN(CC=C)CC(C)(C)CC[NH3+] 308654080 573646245 /nfs/dbraw/zinc/64/62/45/573646245.db2.gz MHXXJAMRKZWTFQ-UHFFFAOYSA-N 1 3 194.322 1.483 10 30 ADEEHO C#CCN(CC=C)CC[C@@H](CC)C[NH3+] 308657982 573650921 /nfs/dbraw/zinc/65/09/21/573650921.db2.gz OFXXCPGZDXMQIT-GFCCVEGCSA-N 1 3 194.322 1.483 10 30 ADEEHO C#CCN(CC=C)CC[C@H](CC)C[NH3+] 308657983 573652802 /nfs/dbraw/zinc/65/28/02/573652802.db2.gz OFXXCPGZDXMQIT-LBPRGKRZSA-N 1 3 194.322 1.483 10 30 ADEEHO C[C@@H](CC#N)NCC[C@@H]1CC[N@H+](C)C1 308663633 573661370 /nfs/dbraw/zinc/66/13/70/573661370.db2.gz RGBTYHNIBXGPKO-WDEREUQCSA-N 1 3 195.310 1.220 10 30 ADEEHO C[C@@H](CC#N)NCC[C@@H]1CC[N@@H+](C)C1 308663633 573661376 /nfs/dbraw/zinc/66/13/76/573661376.db2.gz RGBTYHNIBXGPKO-WDEREUQCSA-N 1 3 195.310 1.220 10 30 ADEEHO C=C(CNCC)C[N@H+](C)CCC1CC1 308666090 573662142 /nfs/dbraw/zinc/66/21/42/573662142.db2.gz SOMBLFRIHSUEOZ-UHFFFAOYSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(CNCC)C[N@@H+](C)CCC1CC1 308666090 573662149 /nfs/dbraw/zinc/66/21/49/573662149.db2.gz SOMBLFRIHSUEOZ-UHFFFAOYSA-N 1 3 196.338 1.884 10 30 ADEEHO C[C@H](CC#N)NCC[C@H]1CC[N@H+](C)C1 308663624 573662496 /nfs/dbraw/zinc/66/24/96/573662496.db2.gz RGBTYHNIBXGPKO-MNOVXSKESA-N 1 3 195.310 1.220 10 30 ADEEHO C[C@H](CC#N)NCC[C@H]1CC[N@@H+](C)C1 308663624 573662502 /nfs/dbraw/zinc/66/25/02/573662502.db2.gz RGBTYHNIBXGPKO-MNOVXSKESA-N 1 3 195.310 1.220 10 30 ADEEHO C[C@@H](CC#N)NCC[C@H]1CC[N@H+](C)C1 308663629 573664872 /nfs/dbraw/zinc/66/48/72/573664872.db2.gz RGBTYHNIBXGPKO-QWRGUYRKSA-N 1 3 195.310 1.220 10 30 ADEEHO C[C@@H](CC#N)NCC[C@H]1CC[N@@H+](C)C1 308663629 573664881 /nfs/dbraw/zinc/66/48/81/573664881.db2.gz RGBTYHNIBXGPKO-QWRGUYRKSA-N 1 3 195.310 1.220 10 30 ADEEHO C[NH+]1CCC([C@@H](N)C(C)(C)C#N)CC1 259546303 573665055 /nfs/dbraw/zinc/66/50/55/573665055.db2.gz UJMCDXLLDBCOMU-SNVBAGLBSA-N 1 3 195.310 1.205 10 30 ADEEHO C=CCC[C@@H](C)[N@H+](C)CCCN 308413044 573678137 /nfs/dbraw/zinc/67/81/37/573678137.db2.gz PKMLTDLLRSBDDI-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCC[C@@H](C)[N@@H+](C)CCCN 308413044 573678144 /nfs/dbraw/zinc/67/81/44/573678144.db2.gz PKMLTDLLRSBDDI-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCC[C@@H](C)N(C)CCC[NH3+] 308413044 573678150 /nfs/dbraw/zinc/67/81/50/573678150.db2.gz PKMLTDLLRSBDDI-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C#CCN(CC1CC1)[C@H](C)CC[NH3+] 130823709 573680186 /nfs/dbraw/zinc/68/01/86/573680186.db2.gz APSCVNLJHNUXDX-SNVBAGLBSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCN(CC1CC1)[C@@H](C)[C@H](C)C[NH3+] 130828575 573681031 /nfs/dbraw/zinc/68/10/31/573681031.db2.gz UZNYBKDKYDAZMK-MNOVXSKESA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCN(CC1CC1)[C@H]1CC[C@@H]1C[NH3+] 130829019 573681057 /nfs/dbraw/zinc/68/10/57/573681057.db2.gz XIPBDODLTZQQIQ-NEPJUHHUSA-N 1 3 192.306 1.069 10 30 ADEEHO C#CCN(CC1CC1)[C@@H](C)CC[NH3+] 130823479 573681142 /nfs/dbraw/zinc/68/11/42/573681142.db2.gz APSCVNLJHNUXDX-JTQLQIEISA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCN(CC1CC1)[C@H](C)[C@H](C)C[NH3+] 130828140 573683946 /nfs/dbraw/zinc/68/39/46/573683946.db2.gz UZNYBKDKYDAZMK-GHMZBOCLSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCN(CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 130828793 573683508 /nfs/dbraw/zinc/68/35/08/573683508.db2.gz XIPBDODLTZQQIQ-VXGBXAGGSA-N 1 3 192.306 1.069 10 30 ADEEHO C=CC[C@@H](C)[N@H+]1CCC[C@H]1CNC 714996146 573683815 /nfs/dbraw/zinc/68/38/15/573683815.db2.gz OBKLMALMNOICRP-MNOVXSKESA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1C[C@@H](CN)C[C@H]1C 714995578 573683863 /nfs/dbraw/zinc/68/38/63/573683863.db2.gz HUZXPSPXXSIMBE-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@@H](C)[N@@H+]1CCC[C@H]1CNC 714996146 573683819 /nfs/dbraw/zinc/68/38/19/573683819.db2.gz OBKLMALMNOICRP-MNOVXSKESA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[C@H](C)[N@H+]1C[C@@H](CN)C[C@H]1C 714995578 573683868 /nfs/dbraw/zinc/68/38/68/573683868.db2.gz HUZXPSPXXSIMBE-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1C[C@@H](CN)C[C@@H]1C 714995577 573684094 /nfs/dbraw/zinc/68/40/94/573684094.db2.gz HUZXPSPXXSIMBE-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)[N@H+]1C[C@@H](CN)C[C@@H]1C 714995577 573684101 /nfs/dbraw/zinc/68/41/01/573684101.db2.gz HUZXPSPXXSIMBE-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C#CCN(C)CCCC[NH2+]CCC 130842738 573684432 /nfs/dbraw/zinc/68/44/32/573684432.db2.gz HDHGNNATMTUNSI-UHFFFAOYSA-N 1 3 182.311 1.331 10 30 ADEEHO C#CCN(CC1CC1)[C@H](C)[C@@H](C)C[NH3+] 130827895 573684530 /nfs/dbraw/zinc/68/45/30/573684530.db2.gz UZNYBKDKYDAZMK-WDEREUQCSA-N 1 3 194.322 1.315 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1C[C@H](CN)C[C@H]1C 714995575 573685010 /nfs/dbraw/zinc/68/50/10/573685010.db2.gz HUZXPSPXXSIMBE-AXFHLTTASA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)[N@H+]1C[C@H](CN)C[C@H]1C 714995575 573685015 /nfs/dbraw/zinc/68/50/15/573685015.db2.gz HUZXPSPXXSIMBE-AXFHLTTASA-N 1 3 182.311 1.620 10 30 ADEEHO C#CCN(CC1CC1)[C@@H](C)[C@@H](C)C[NH3+] 130828374 573685080 /nfs/dbraw/zinc/68/50/80/573685080.db2.gz UZNYBKDKYDAZMK-QWRGUYRKSA-N 1 3 194.322 1.315 10 30 ADEEHO C#CCN(C)CCCCC[NH2+]CCC 130861407 573687987 /nfs/dbraw/zinc/68/79/87/573687987.db2.gz YEFGTDSNDHHGSN-UHFFFAOYSA-N 1 3 196.338 1.721 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CCC[C@@H]1CNC 714996150 573689540 /nfs/dbraw/zinc/68/95/40/573689540.db2.gz OBKLMALMNOICRP-WDEREUQCSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CCC[C@H]1CNC 714996148 573689344 /nfs/dbraw/zinc/68/93/44/573689344.db2.gz OBKLMALMNOICRP-QWRGUYRKSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CCC[C@H]1CNC 714996148 573689355 /nfs/dbraw/zinc/68/93/55/573689355.db2.gz OBKLMALMNOICRP-QWRGUYRKSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CCC[C@@H]1CNC 714996150 573689533 /nfs/dbraw/zinc/68/95/33/573689533.db2.gz OBKLMALMNOICRP-WDEREUQCSA-N 1 3 182.311 1.635 10 30 ADEEHO C#CCN(C)CCCC[NH2+]C1CC1 130851510 573689899 /nfs/dbraw/zinc/68/98/99/573689899.db2.gz GQAHULUXGWORBC-UHFFFAOYSA-N 1 3 180.295 1.084 10 30 ADEEHO C#CCN(C)CCCCC[NH2+]C(C)C 130858411 573690282 /nfs/dbraw/zinc/69/02/82/573690282.db2.gz DRDGDJMUMVGZFB-UHFFFAOYSA-N 1 3 196.338 1.720 10 30 ADEEHO C#CCN(C)CCCC[NH2+]CC(C)C 130846890 573690484 /nfs/dbraw/zinc/69/04/84/573690484.db2.gz WNWXZRQWTKXQJL-UHFFFAOYSA-N 1 3 196.338 1.577 10 30 ADEEHO C=C1CCCN(C[C@@H](C)C[NH3+])C1 642818107 573691366 /nfs/dbraw/zinc/69/13/66/573691366.db2.gz UFRDXYOBOCCUAZ-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCC[C@@H](C)N1CC2=C(C[NH2+]C2)C1 308674831 573692573 /nfs/dbraw/zinc/69/25/73/573692573.db2.gz VXYMQBLXWZFYSB-SNVBAGLBSA-N 1 3 192.306 1.557 10 30 ADEEHO C#CCN(CC=C)C[C@H]1CC[C@H]([NH3+])C1 308689032 573707526 /nfs/dbraw/zinc/70/75/26/573707526.db2.gz QTOVEAGWACBTSS-RYUDHWBXSA-N 1 3 192.306 1.235 10 30 ADEEHO C#CCN(CC=C)C[C@H]1CC[C@@H]([NH3+])C1 308689027 573708635 /nfs/dbraw/zinc/70/86/35/573708635.db2.gz QTOVEAGWACBTSS-NWDGAFQWSA-N 1 3 192.306 1.235 10 30 ADEEHO C#CCN(CC=C)C[C@@H]1CC[C@@H]([NH3+])C1 308689036 573708768 /nfs/dbraw/zinc/70/87/68/573708768.db2.gz QTOVEAGWACBTSS-VXGBXAGGSA-N 1 3 192.306 1.235 10 30 ADEEHO C#CCN(CC=C)C[C@@H](C)CCC[NH3+] 308688604 573708984 /nfs/dbraw/zinc/70/89/84/573708984.db2.gz QPMGMDDPVQWZIS-LBPRGKRZSA-N 1 3 194.322 1.483 10 30 ADEEHO CC(C)[N@H+]1CC[C@H](CC#CCN)C1 258094801 573710424 /nfs/dbraw/zinc/71/04/24/573710424.db2.gz GQSMKSIOCYZXQD-NSHDSACASA-N 1 3 180.295 1.069 10 30 ADEEHO CC(C)[N@@H+]1CC[C@H](CC#CCN)C1 258094801 573710415 /nfs/dbraw/zinc/71/04/15/573710415.db2.gz GQSMKSIOCYZXQD-NSHDSACASA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCN(CCC)[C@H](C)[C@@H](C)C[NH2+]C 130950757 573717257 /nfs/dbraw/zinc/71/72/57/573717257.db2.gz IGGCOFQEQOYGMR-NWDGAFQWSA-N 1 3 196.338 1.576 10 30 ADEEHO C#CCN(CCC)[C@H](C)[C@@H](C)C[NH3+] 130954904 573717687 /nfs/dbraw/zinc/71/76/87/573717687.db2.gz HAPQHQNUYKJUAC-WDEREUQCSA-N 1 3 182.311 1.315 10 30 ADEEHO C=CC[C@@H](C)[NH2+]CC1=CCN(C)CC1 308679738 573717776 /nfs/dbraw/zinc/71/77/76/573717776.db2.gz XIPMBOITSXSGTG-LLVKDONJSA-N 1 3 194.322 1.803 10 30 ADEEHO C#CCN(C)CCCCCC[NH2+]CC 130875447 573718254 /nfs/dbraw/zinc/71/82/54/573718254.db2.gz GNQPBDZVHDHTFL-UHFFFAOYSA-N 1 3 196.338 1.721 10 30 ADEEHO C#CCN(C)CCCCC[NH2+]C1CC1 130877887 573719629 /nfs/dbraw/zinc/71/96/29/573719629.db2.gz QVLYCMFLAWAWFE-UHFFFAOYSA-N 1 3 194.322 1.474 10 30 ADEEHO C[C@@H](CCCC[NH+](C)C)NCCC#N 308680943 573719941 /nfs/dbraw/zinc/71/99/41/573719941.db2.gz XOHATFMGXLHVNO-NSHDSACASA-N 1 3 197.326 1.610 10 30 ADEEHO C[C@H](CCCC[NH+](C)C)NCCC#N 308680942 573720316 /nfs/dbraw/zinc/72/03/16/573720316.db2.gz XOHATFMGXLHVNO-LLVKDONJSA-N 1 3 197.326 1.610 10 30 ADEEHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCCC#N 126906753 573735841 /nfs/dbraw/zinc/73/58/41/573735841.db2.gz YQNBWHFUVNMAKO-WDEREUQCSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]1C[C@H](CN)C[N@H+]1CCCCC#N 126906753 573735849 /nfs/dbraw/zinc/73/58/49/573735849.db2.gz YQNBWHFUVNMAKO-WDEREUQCSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCCC#N 126906532 573737137 /nfs/dbraw/zinc/73/71/37/573737137.db2.gz YQNBWHFUVNMAKO-GHMZBOCLSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCCC#N 126906532 573737140 /nfs/dbraw/zinc/73/71/40/573737140.db2.gz YQNBWHFUVNMAKO-GHMZBOCLSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCCC#N 126906970 573741613 /nfs/dbraw/zinc/74/16/13/573741613.db2.gz YQNBWHFUVNMAKO-MNOVXSKESA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCCC#N 126906970 573741620 /nfs/dbraw/zinc/74/16/20/573741620.db2.gz YQNBWHFUVNMAKO-MNOVXSKESA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCCC#N 126907176 573742098 /nfs/dbraw/zinc/74/20/98/573742098.db2.gz YQNBWHFUVNMAKO-QWRGUYRKSA-N 1 3 195.310 1.349 10 30 ADEEHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCCC#N 126907176 573742102 /nfs/dbraw/zinc/74/21/02/573742102.db2.gz YQNBWHFUVNMAKO-QWRGUYRKSA-N 1 3 195.310 1.349 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](N)C1 87041951 573746868 /nfs/dbraw/zinc/74/68/68/573746868.db2.gz CCAVRUPTVDYPQM-KXUCPTDWSA-N 1 3 168.284 1.230 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](C)C[C@@H](N)C1 87041951 573746876 /nfs/dbraw/zinc/74/68/76/573746876.db2.gz CCAVRUPTVDYPQM-KXUCPTDWSA-N 1 3 168.284 1.230 10 30 ADEEHO C=CCN1CCC[C@@H](C[NH2+]C)C1(C)C 259175852 573749579 /nfs/dbraw/zinc/74/95/79/573749579.db2.gz AUXPBASUNPZRHM-NSHDSACASA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN1CCC[C@H](C[NH2+]C)C1(C)C 259175850 573752917 /nfs/dbraw/zinc/75/29/17/573752917.db2.gz AUXPBASUNPZRHM-LLVKDONJSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C1CCCN(C[C@H](C)[C@H](C)[NH3+])C1 642835107 573761415 /nfs/dbraw/zinc/76/14/15/573761415.db2.gz VUHYCYWHQZKFDR-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238088398 573761033 /nfs/dbraw/zinc/76/10/33/573761033.db2.gz JNCWRKCIMQQKSK-JGPRNRPPSA-N 1 3 180.295 1.517 10 30 ADEEHO C=C(C)CN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238088373 573761340 /nfs/dbraw/zinc/76/13/40/573761340.db2.gz JNCWRKCIMQQKSK-RTCCRHLQSA-N 1 3 180.295 1.517 10 30 ADEEHO C=C(CC)C[N@H+]1C[C@@H](CN)C[C@@H]1C 126976540 573761674 /nfs/dbraw/zinc/76/16/74/573761674.db2.gz LCZUEAZVMQVHMQ-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(CC)C[N@@H+]1C[C@@H](CN)C[C@@H]1C 126976540 573761669 /nfs/dbraw/zinc/76/16/69/573761669.db2.gz LCZUEAZVMQVHMQ-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO CC(C)[N@@H+]1CCC[C@H](C#CCN)C1 258123176 573761954 /nfs/dbraw/zinc/76/19/54/573761954.db2.gz INBGRMNMSUVJJI-NSHDSACASA-N 1 3 180.295 1.069 10 30 ADEEHO CC(C)[N@H+]1CCC[C@H](C#CCN)C1 258123176 573761958 /nfs/dbraw/zinc/76/19/58/573761958.db2.gz INBGRMNMSUVJJI-NSHDSACASA-N 1 3 180.295 1.069 10 30 ADEEHO CC(C)[N@@H+]1CCC[C@@H](C#CCN)C1 258123174 573764736 /nfs/dbraw/zinc/76/47/36/573764736.db2.gz INBGRMNMSUVJJI-LLVKDONJSA-N 1 3 180.295 1.069 10 30 ADEEHO CC(C)[N@H+]1CCC[C@@H](C#CCN)C1 258123174 573764742 /nfs/dbraw/zinc/76/47/42/573764742.db2.gz INBGRMNMSUVJJI-LLVKDONJSA-N 1 3 180.295 1.069 10 30 ADEEHO C=C(CC)C[N@@H+]1C[C@H](CN)C[C@@H]1C 126976289 573765289 /nfs/dbraw/zinc/76/52/89/573765289.db2.gz LCZUEAZVMQVHMQ-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(CC)C[N@H+]1C[C@H](CN)C[C@@H]1C 126976289 573765299 /nfs/dbraw/zinc/76/52/99/573765299.db2.gz LCZUEAZVMQVHMQ-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@H+]1C[C@H](CN)CC1(C)C 259567241 573776067 /nfs/dbraw/zinc/77/60/67/573776067.db2.gz YJXMIRNNBGKIPH-VIFPVBQESA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[N@@H+]1C[C@H](CN)CC1(C)C 259567241 573776072 /nfs/dbraw/zinc/77/60/72/573776072.db2.gz YJXMIRNNBGKIPH-VIFPVBQESA-N 1 3 168.284 1.232 10 30 ADEEHO CC[N@@H+]1CCC[C@H]1CC#CCNC 258118454 573777696 /nfs/dbraw/zinc/77/76/96/573777696.db2.gz IFNSFRKJSOOIKK-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO CC[N@H+]1CCC[C@H]1CC#CCNC 258118454 573777700 /nfs/dbraw/zinc/77/77/00/573777700.db2.gz IFNSFRKJSOOIKK-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO CC[N@@H+]1CCC[C@@H]1CC#CCNC 258118457 573780288 /nfs/dbraw/zinc/78/02/88/573780288.db2.gz IFNSFRKJSOOIKK-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO CC[N@H+]1CCC[C@@H]1CC#CCNC 258118457 573780294 /nfs/dbraw/zinc/78/02/94/573780294.db2.gz IFNSFRKJSOOIKK-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO C=C(C)[C@@H]1CC[C@](C)(N)[C@@H]([NH3+])C1 238125956 573796760 /nfs/dbraw/zinc/79/67/60/573796760.db2.gz YSRYTSMGSHUDCE-UTLUCORTSA-N 1 3 168.284 1.407 10 30 ADEEHO C=CC[N@H+]1CC[C@@H](CN)C1(C)C 259190679 573797093 /nfs/dbraw/zinc/79/70/93/573797093.db2.gz BPMPPJVUVISQMN-VIFPVBQESA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[N@@H+]1CC[C@@H](CN)C1(C)C 259190679 573797097 /nfs/dbraw/zinc/79/70/97/573797097.db2.gz BPMPPJVUVISQMN-VIFPVBQESA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)[C@@H]1CC[C@@](C)(N)[C@@H]([NH3+])C1 238124756 573797744 /nfs/dbraw/zinc/79/77/44/573797744.db2.gz YSRYTSMGSHUDCE-KXUCPTDWSA-N 1 3 168.284 1.407 10 30 ADEEHO C=C(C[NH2+]C)[C@@H]1CCCN1C(C)C 258136343 573811219 /nfs/dbraw/zinc/81/12/19/573811219.db2.gz JHBXRSSORBDMTN-NSHDSACASA-N 1 3 182.311 1.635 10 30 ADEEHO C=C(C)CC[NH2+][C@H](C)C1CNC1 686250814 573814812 /nfs/dbraw/zinc/81/48/12/573814812.db2.gz MNBZSPVBTMBFCY-SECBINFHSA-N 1 3 168.284 1.150 10 30 ADEEHO C=C(C)CC[NH2+][C@@H](C)C1CNC1 686250815 573815008 /nfs/dbraw/zinc/81/50/08/573815008.db2.gz MNBZSPVBTMBFCY-VIFPVBQESA-N 1 3 168.284 1.150 10 30 ADEEHO CNCC#C[C@@H]1CCC[N@@H+](C(C)C)C1 258151684 573834286 /nfs/dbraw/zinc/83/42/86/573834286.db2.gz KKJQNUDYMFKSSP-GFCCVEGCSA-N 1 3 194.322 1.330 10 30 ADEEHO CNCC#C[C@@H]1CCC[N@H+](C(C)C)C1 258151684 573834295 /nfs/dbraw/zinc/83/42/95/573834295.db2.gz KKJQNUDYMFKSSP-GFCCVEGCSA-N 1 3 194.322 1.330 10 30 ADEEHO CNCC#C[C@H]1CCC[N@@H+](C(C)C)C1 258151688 573837051 /nfs/dbraw/zinc/83/70/51/573837051.db2.gz KKJQNUDYMFKSSP-LBPRGKRZSA-N 1 3 194.322 1.330 10 30 ADEEHO CNCC#C[C@H]1CCC[N@H+](C(C)C)C1 258151688 573837055 /nfs/dbraw/zinc/83/70/55/573837055.db2.gz KKJQNUDYMFKSSP-LBPRGKRZSA-N 1 3 194.322 1.330 10 30 ADEEHO C=CC[N@H+]1C[C@@H](CN)CCC1(C)C 259207702 573840579 /nfs/dbraw/zinc/84/05/79/573840579.db2.gz CJVVTHQWKJUMNJ-SNVBAGLBSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@@H+]1C[C@@H](CN)CCC1(C)C 259207702 573840584 /nfs/dbraw/zinc/84/05/84/573840584.db2.gz CJVVTHQWKJUMNJ-SNVBAGLBSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN1C[C@H](C[NH3+])CCC1(C)C 259207699 573840976 /nfs/dbraw/zinc/84/09/76/573840976.db2.gz CJVVTHQWKJUMNJ-JTQLQIEISA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@H+]1C[C@H](CN)CCC1(C)C 259207699 573840981 /nfs/dbraw/zinc/84/09/81/573840981.db2.gz CJVVTHQWKJUMNJ-JTQLQIEISA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@@H+]1C[C@H](CN)CCC1(C)C 259207699 573840985 /nfs/dbraw/zinc/84/09/85/573840985.db2.gz CJVVTHQWKJUMNJ-JTQLQIEISA-N 1 3 182.311 1.622 10 30 ADEEHO C[C@]1(CN)CC[N@H+](CCCCC#N)C1 308457814 573860770 /nfs/dbraw/zinc/86/07/70/573860770.db2.gz DMRRHFFKWLOOCY-LLVKDONJSA-N 1 3 195.310 1.351 10 30 ADEEHO C[C@]1(CN)CC[N@@H+](CCCCC#N)C1 308457814 573860775 /nfs/dbraw/zinc/86/07/75/573860775.db2.gz DMRRHFFKWLOOCY-LLVKDONJSA-N 1 3 195.310 1.351 10 30 ADEEHO C[C@]1(C[NH3+])CCN(CCCCC#N)C1 308457814 573860778 /nfs/dbraw/zinc/86/07/78/573860778.db2.gz DMRRHFFKWLOOCY-LLVKDONJSA-N 1 3 195.310 1.351 10 30 ADEEHO C=CCN(CC)C[C@@H](CC)C[NH3+] 131513313 573862859 /nfs/dbraw/zinc/86/28/59/573862859.db2.gz CZAKPBVVAYNYKT-JTQLQIEISA-N 1 3 170.300 1.479 10 30 ADEEHO C=CCN(CC)C[C@@H](C)C[NH3+] 131496714 573863130 /nfs/dbraw/zinc/86/31/30/573863130.db2.gz RVWGBXOHSSMJOU-VIFPVBQESA-N 1 3 156.273 1.089 10 30 ADEEHO C[C@@]1(CN)CC[N@H+](CCCCC#N)C1 308457816 573863732 /nfs/dbraw/zinc/86/37/32/573863732.db2.gz DMRRHFFKWLOOCY-NSHDSACASA-N 1 3 195.310 1.351 10 30 ADEEHO C[C@@]1(CN)CC[N@@H+](CCCCC#N)C1 308457816 573863739 /nfs/dbraw/zinc/86/37/39/573863739.db2.gz DMRRHFFKWLOOCY-NSHDSACASA-N 1 3 195.310 1.351 10 30 ADEEHO C[C@@]1(C[NH3+])CCN(CCCCC#N)C1 308457816 573863747 /nfs/dbraw/zinc/86/37/47/573863747.db2.gz DMRRHFFKWLOOCY-NSHDSACASA-N 1 3 195.310 1.351 10 30 ADEEHO C=CCN(CC)C[C@H](CC)C[NH3+] 131513546 573867739 /nfs/dbraw/zinc/86/77/39/573867739.db2.gz CZAKPBVVAYNYKT-SNVBAGLBSA-N 1 3 170.300 1.479 10 30 ADEEHO C=CCN(CC)CC[C@H](C)[NH3+] 131520950 573868464 /nfs/dbraw/zinc/86/84/64/573868464.db2.gz RLUSWFGXTJQCIN-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C=CCN(C)C[C@@H]1CCC[C@@H]1[NH3+] 131433759 573869618 /nfs/dbraw/zinc/86/96/18/573869618.db2.gz CNONUQNBXKZELS-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN(C)C[C@@H](C[NH3+])CC(C)C 131435532 573869706 /nfs/dbraw/zinc/86/97/06/573869706.db2.gz QNDJDNQMGKPEFD-LLVKDONJSA-N 1 3 184.327 1.725 10 30 ADEEHO C=CCN(C)C[C@@H](CC)C[NH3+] 131450224 573873072 /nfs/dbraw/zinc/87/30/72/573873072.db2.gz CUPXMSUVKGCCCX-VIFPVBQESA-N 1 3 156.273 1.089 10 30 ADEEHO C=CCN(C)C[C@H]1CCC[C@@H]1[NH3+] 131433945 573873196 /nfs/dbraw/zinc/87/31/96/573873196.db2.gz CNONUQNBXKZELS-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN(C)C[C@H](C[NH3+])C(C)C 131475479 573881943 /nfs/dbraw/zinc/88/19/43/573881943.db2.gz GTNCGGMOPGFKPR-JTQLQIEISA-N 1 3 170.300 1.335 10 30 ADEEHO C=CCN(CCC)CCC[NH3+] 131587210 573886862 /nfs/dbraw/zinc/88/68/62/573886862.db2.gz NYWLVAZONXWFJF-UHFFFAOYSA-N 1 3 156.273 1.233 10 30 ADEEHO C=CCN(CC[C@H](C)[NH3+])C(C)C 131624273 573892413 /nfs/dbraw/zinc/89/24/13/573892413.db2.gz CGMZITZCAUUADY-JTQLQIEISA-N 1 3 170.300 1.620 10 30 ADEEHO C=CC[N@@H+](C[C@@H](N)C(C)C)C(C)C 131614784 573894772 /nfs/dbraw/zinc/89/47/72/573894772.db2.gz ZMZPZSQFDRFFPA-LLVKDONJSA-N 1 3 184.327 1.866 10 30 ADEEHO C=CC[N@H+](C[C@@H](N)C(C)C)C(C)C 131614784 573894778 /nfs/dbraw/zinc/89/47/78/573894778.db2.gz ZMZPZSQFDRFFPA-LLVKDONJSA-N 1 3 184.327 1.866 10 30 ADEEHO CC[N@@H+]1CCC[C@@H](CC#CCN)C1 258174933 573897482 /nfs/dbraw/zinc/89/74/82/573897482.db2.gz LQLWARPWIPOVJC-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO CC[N@H+]1CCC[C@@H](CC#CCN)C1 258174933 573897486 /nfs/dbraw/zinc/89/74/86/573897486.db2.gz LQLWARPWIPOVJC-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO C=CCN(CCC)C[C@@H]1C[NH2+]C[C@@H]1C 131559942 573904135 /nfs/dbraw/zinc/90/41/35/573904135.db2.gz YZQWBIFXWKBABP-RYUDHWBXSA-N 1 3 196.338 1.740 10 30 ADEEHO C=CCN(CCC)C[C@@H](CC)C[NH3+] 131568587 573904066 /nfs/dbraw/zinc/90/40/66/573904066.db2.gz XXDUYRGXKASVLR-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=CC[N@@H+](CCC)C[C@@H](CC)CN 131568587 573904069 /nfs/dbraw/zinc/90/40/69/573904069.db2.gz XXDUYRGXKASVLR-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=CC[N@H+](CCC)C[C@@H](CC)CN 131568587 573904074 /nfs/dbraw/zinc/90/40/74/573904074.db2.gz XXDUYRGXKASVLR-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=CCN(CCC)C[C@H]1CC[NH2+]C1 131559018 573905433 /nfs/dbraw/zinc/90/54/33/573905433.db2.gz IXKFEOUXYINPDF-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=CCN(CC)C[C@H](C[NH3+])C(C)C 131537701 573905507 /nfs/dbraw/zinc/90/55/07/573905507.db2.gz YEJFGNAXYNXXDI-NSHDSACASA-N 1 3 184.327 1.725 10 30 ADEEHO C=CC[N@@H+](CCC)C[C@@H](C)N 131564606 573905963 /nfs/dbraw/zinc/90/59/63/573905963.db2.gz IBYRHVGXFCUKLI-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=CC[N@H+](CCC)C[C@@H](C)N 131564606 573905966 /nfs/dbraw/zinc/90/59/66/573905966.db2.gz IBYRHVGXFCUKLI-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=CCN(CCC)CC[C@H](C)[NH3+] 131575753 573905624 /nfs/dbraw/zinc/90/56/24/573905624.db2.gz KDBLNNHUHOOPDE-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C[N@@H+]1CCC[C@@H](CNCCCC#N)C1 44537246 573918002 /nfs/dbraw/zinc/91/80/02/573918002.db2.gz RPLBLJBMCGTQKT-NSHDSACASA-N 1 3 195.310 1.222 10 30 ADEEHO C[N@H+]1CCC[C@@H](CNCCCC#N)C1 44537246 573918008 /nfs/dbraw/zinc/91/80/08/573918008.db2.gz RPLBLJBMCGTQKT-NSHDSACASA-N 1 3 195.310 1.222 10 30 ADEEHO C=CCN(C[C@H](CC)C[NH3+])C1CC1 131667861 573919384 /nfs/dbraw/zinc/91/93/84/573919384.db2.gz YWINWZGDFXBAKR-SNVBAGLBSA-N 1 3 182.311 1.622 10 30 ADEEHO CN[C@@H](CCC#N)[C@H]1CCC[N@H+](C)C1 259240802 573925394 /nfs/dbraw/zinc/92/53/94/573925394.db2.gz GUUIBHPWFNFKDW-QWRGUYRKSA-N 1 3 195.310 1.220 10 30 ADEEHO CN[C@@H](CCC#N)[C@H]1CCC[N@@H+](C)C1 259240802 573925396 /nfs/dbraw/zinc/92/53/96/573925396.db2.gz GUUIBHPWFNFKDW-QWRGUYRKSA-N 1 3 195.310 1.220 10 30 ADEEHO CN[C@H](CCC#N)[C@@H]1CCC[N@H+](C)C1 259240797 573925858 /nfs/dbraw/zinc/92/58/58/573925858.db2.gz GUUIBHPWFNFKDW-GHMZBOCLSA-N 1 3 195.310 1.220 10 30 ADEEHO CN[C@H](CCC#N)[C@@H]1CCC[N@@H+](C)C1 259240797 573925861 /nfs/dbraw/zinc/92/58/61/573925861.db2.gz GUUIBHPWFNFKDW-GHMZBOCLSA-N 1 3 195.310 1.220 10 30 ADEEHO CC[N@@H+]1CCCC[C@H]1CC#CCN 258182812 573927305 /nfs/dbraw/zinc/92/73/05/573927305.db2.gz MDKITFFQFAJHJB-LLVKDONJSA-N 1 3 180.295 1.213 10 30 ADEEHO CC[N@H+]1CCCC[C@H]1CC#CCN 258182812 573927308 /nfs/dbraw/zinc/92/73/08/573927308.db2.gz MDKITFFQFAJHJB-LLVKDONJSA-N 1 3 180.295 1.213 10 30 ADEEHO C=CC[N@@H+](CCCN)C(C)(C)C 131730575 573927540 /nfs/dbraw/zinc/92/75/40/573927540.db2.gz XZUIGQNHXHACAY-UHFFFAOYSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CC[N@H+](CCCN)C(C)(C)C 131730575 573927542 /nfs/dbraw/zinc/92/75/42/573927542.db2.gz XZUIGQNHXHACAY-UHFFFAOYSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCN(CCC[NH3+])C(C)(C)C 131730575 573927546 /nfs/dbraw/zinc/92/75/46/573927546.db2.gz XZUIGQNHXHACAY-UHFFFAOYSA-N 1 3 170.300 1.622 10 30 ADEEHO CN[C@H](CCC#N)[C@H]1CCC[N@H+](C)C1 259240807 573928011 /nfs/dbraw/zinc/92/80/11/573928011.db2.gz GUUIBHPWFNFKDW-WDEREUQCSA-N 1 3 195.310 1.220 10 30 ADEEHO CN[C@H](CCC#N)[C@H]1CCC[N@@H+](C)C1 259240807 573928018 /nfs/dbraw/zinc/92/80/18/573928018.db2.gz GUUIBHPWFNFKDW-WDEREUQCSA-N 1 3 195.310 1.220 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@](C)(CNC)C1 715069365 573928070 /nfs/dbraw/zinc/92/80/70/573928070.db2.gz MRCPKPYTKJOOEK-NWDGAFQWSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@](C)(CNC)C1 715069365 573928074 /nfs/dbraw/zinc/92/80/74/573928074.db2.gz MRCPKPYTKJOOEK-NWDGAFQWSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@H](C)N1CC[C@](C)(C[NH2+]C)C1 715069365 573928079 /nfs/dbraw/zinc/92/80/79/573928079.db2.gz MRCPKPYTKJOOEK-NWDGAFQWSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@H](C)[N@@H+](C)C[C@@H](C)CNC 715069676 573928919 /nfs/dbraw/zinc/92/89/19/573928919.db2.gz NVIRUMOTHXXPMB-QWRGUYRKSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@H](C)[N@H+](C)C[C@@H](C)CNC 715069676 573928923 /nfs/dbraw/zinc/92/89/23/573928923.db2.gz NVIRUMOTHXXPMB-QWRGUYRKSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@H](C)N(C)C[C@@H](C)C[NH2+]C 715069676 573928926 /nfs/dbraw/zinc/92/89/26/573928926.db2.gz NVIRUMOTHXXPMB-QWRGUYRKSA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@@H](C)[N@@H+]1CC[C@](C)(CNC)C1 715069367 573929348 /nfs/dbraw/zinc/92/93/48/573929348.db2.gz MRCPKPYTKJOOEK-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@@H](C)[N@H+]1CC[C@](C)(CNC)C1 715069367 573929351 /nfs/dbraw/zinc/92/93/51/573929351.db2.gz MRCPKPYTKJOOEK-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@@H](C)N1CC[C@](C)(C[NH2+]C)C1 715069367 573929358 /nfs/dbraw/zinc/92/93/58/573929358.db2.gz MRCPKPYTKJOOEK-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO CC[N@@H+]1CCCC[C@@H]1CC#CCN 258182814 573929542 /nfs/dbraw/zinc/92/95/42/573929542.db2.gz MDKITFFQFAJHJB-NSHDSACASA-N 1 3 180.295 1.213 10 30 ADEEHO CC[N@H+]1CCCC[C@@H]1CC#CCN 258182814 573929548 /nfs/dbraw/zinc/92/95/48/573929548.db2.gz MDKITFFQFAJHJB-NSHDSACASA-N 1 3 180.295 1.213 10 30 ADEEHO C=CC[C@H](C)[N@@H+](C)C[C@H](C)CNC 715069674 573929729 /nfs/dbraw/zinc/92/97/29/573929729.db2.gz NVIRUMOTHXXPMB-MNOVXSKESA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@H](C)[N@H+](C)C[C@H](C)CNC 715069674 573929734 /nfs/dbraw/zinc/92/97/34/573929734.db2.gz NVIRUMOTHXXPMB-MNOVXSKESA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@H](C)N(C)C[C@H](C)C[NH2+]C 715069674 573929738 /nfs/dbraw/zinc/92/97/38/573929738.db2.gz NVIRUMOTHXXPMB-MNOVXSKESA-N 1 3 184.327 1.738 10 30 ADEEHO C=CC[C@@H](C)[N@@H+]1CC[C@@](C)(CNC)C1 715069364 573931042 /nfs/dbraw/zinc/93/10/42/573931042.db2.gz MRCPKPYTKJOOEK-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@@H](C)[N@H+]1CC[C@@](C)(CNC)C1 715069364 573931046 /nfs/dbraw/zinc/93/10/46/573931046.db2.gz MRCPKPYTKJOOEK-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@@H](C)N1CC[C@@](C)(C[NH2+]C)C1 715069364 573931052 /nfs/dbraw/zinc/93/10/52/573931052.db2.gz MRCPKPYTKJOOEK-NEPJUHHUSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[N@H+]1C[C@H](N)CCC1(C)C 259585135 573935846 /nfs/dbraw/zinc/93/58/46/573935846.db2.gz ZPNXUGSDGPJZER-SECBINFHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC[N@@H+]1C[C@H](N)CCC1(C)C 259585135 573935850 /nfs/dbraw/zinc/93/58/50/573935850.db2.gz ZPNXUGSDGPJZER-SECBINFHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(CN)C[NH+]1CCC(C)(OC)CC1 308470760 573943841 /nfs/dbraw/zinc/94/38/41/573943841.db2.gz HXQJKIDQOPDLLX-UHFFFAOYSA-N 1 3 198.310 1.002 10 30 ADEEHO CN(C)CC#CC[NH2+]C[Si](C)(C)C 717580970 573982323 /nfs/dbraw/zinc/98/23/23/573982323.db2.gz SNTWEACSAJLKBO-UHFFFAOYSA-N 1 3 198.386 1.018 10 30 ADEEHO CCN(CC)CC#CC#CC(C)(C)[NH3+] 238236430 573998706 /nfs/dbraw/zinc/99/87/06/573998706.db2.gz YEZALDURQOYDAE-UHFFFAOYSA-N 1 3 192.306 1.072 10 30 ADEEHO CC(C)[N@H+](C)CCCCNCCC#N 45700745 573998858 /nfs/dbraw/zinc/99/88/58/573998858.db2.gz DYBCJOHEDYZJFV-UHFFFAOYSA-N 1 3 197.326 1.610 10 30 ADEEHO CC(C)[N@@H+](C)CCCCNCCC#N 45700745 573998861 /nfs/dbraw/zinc/99/88/61/573998861.db2.gz DYBCJOHEDYZJFV-UHFFFAOYSA-N 1 3 197.326 1.610 10 30 ADEEHO C[C@H](CC#N)NCCCC[NH+](C)C 45697956 573998885 /nfs/dbraw/zinc/99/88/85/573998885.db2.gz DWYYUOMLNYYLON-SNVBAGLBSA-N 1 3 183.299 1.220 10 30 ADEEHO C[C@H](C#N)CNCCCC[NH+](C)C 45697735 573999771 /nfs/dbraw/zinc/99/97/71/573999771.db2.gz PEVYRQWNFVAVKN-SNVBAGLBSA-N 1 3 183.299 1.077 10 30 ADEEHO C=CCN1CCC[NH2+]CCC1(C)C 259272152 574010656 /nfs/dbraw/zinc/01/06/56/574010656.db2.gz GCLJJXPZYORCKB-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CC[N@H+]1CCCNCCC1(C)C 259272152 574010661 /nfs/dbraw/zinc/01/06/61/574010661.db2.gz GCLJJXPZYORCKB-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CC[N@@H+]1CCCNCCC1(C)C 259272152 574010664 /nfs/dbraw/zinc/01/06/64/574010664.db2.gz GCLJJXPZYORCKB-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCN1CC[C@H]([NH3+])CC1(C)C 259294313 574040164 /nfs/dbraw/zinc/04/01/64/574040164.db2.gz HGHIOYJOTCCRNE-VIFPVBQESA-N 1 3 168.284 1.374 10 30 ADEEHO CCCN(C)CC#CC[N@H+](C)CCC 671240581 486745452 /nfs/dbraw/zinc/74/54/52/486745452.db2.gz YWHRYFKRRZONQG-UHFFFAOYSA-N 1 3 196.338 1.673 10 30 ADEEHO CCCN(C)CC#CC[N@@H+](C)CCC 671240581 486745455 /nfs/dbraw/zinc/74/54/55/486745455.db2.gz YWHRYFKRRZONQG-UHFFFAOYSA-N 1 3 196.338 1.673 10 30 ADEEHO C=CCN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C 674305924 486793189 /nfs/dbraw/zinc/79/31/89/486793189.db2.gz TUPDWDOPFBTZIN-NEPJUHHUSA-N 1 3 196.338 1.835 10 30 ADEEHO C=CCN(C)[C@H]1CC[N@H+](CC)C[C@H]1C 674305924 486793191 /nfs/dbraw/zinc/79/31/91/486793191.db2.gz TUPDWDOPFBTZIN-NEPJUHHUSA-N 1 3 196.338 1.835 10 30 ADEEHO C=CCN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C 674305925 486793621 /nfs/dbraw/zinc/79/36/21/486793621.db2.gz TUPDWDOPFBTZIN-NWDGAFQWSA-N 1 3 196.338 1.835 10 30 ADEEHO C=CCN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C 674305925 486793625 /nfs/dbraw/zinc/79/36/25/486793625.db2.gz TUPDWDOPFBTZIN-NWDGAFQWSA-N 1 3 196.338 1.835 10 30 ADEEHO C=CCN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C 674305927 486794016 /nfs/dbraw/zinc/79/40/16/486794016.db2.gz TUPDWDOPFBTZIN-VXGBXAGGSA-N 1 3 196.338 1.835 10 30 ADEEHO C=CCN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C 674305927 486794018 /nfs/dbraw/zinc/79/40/18/486794018.db2.gz TUPDWDOPFBTZIN-VXGBXAGGSA-N 1 3 196.338 1.835 10 30 ADEEHO C=CCN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C 674305926 486794104 /nfs/dbraw/zinc/79/41/04/486794104.db2.gz TUPDWDOPFBTZIN-RYUDHWBXSA-N 1 3 196.338 1.835 10 30 ADEEHO C=CCN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C 674305926 486794109 /nfs/dbraw/zinc/79/41/09/486794109.db2.gz TUPDWDOPFBTZIN-RYUDHWBXSA-N 1 3 196.338 1.835 10 30 ADEEHO C=CCCCN(C)CCC[NH2+]C 87472760 486897656 /nfs/dbraw/zinc/89/76/56/486897656.db2.gz HQDQORYEMROXKO-UHFFFAOYSA-N 1 3 170.300 1.494 10 30 ADEEHO C=CCCC[N@@H+](C)CCCNC 87472760 486897660 /nfs/dbraw/zinc/89/76/60/486897660.db2.gz HQDQORYEMROXKO-UHFFFAOYSA-N 1 3 170.300 1.494 10 30 ADEEHO C=CCCC[N@H+](C)CCCNC 87472760 486897662 /nfs/dbraw/zinc/89/76/62/486897662.db2.gz HQDQORYEMROXKO-UHFFFAOYSA-N 1 3 170.300 1.494 10 30 ADEEHO C=C(C)C[N@@H+](C)CC[C@@H]1CCCN1C 679217518 486953174 /nfs/dbraw/zinc/95/31/74/486953174.db2.gz GTZNUOWBLYKFRU-LBPRGKRZSA-N 1 3 196.338 1.979 10 30 ADEEHO C=C(C)C[N@H+](C)CC[C@@H]1CCCN1C 679217518 486953178 /nfs/dbraw/zinc/95/31/78/486953178.db2.gz GTZNUOWBLYKFRU-LBPRGKRZSA-N 1 3 196.338 1.979 10 30 ADEEHO C=C(C)C[N@@H+](C)CC[C@H]1CCCN1C 679217516 486953521 /nfs/dbraw/zinc/95/35/21/486953521.db2.gz GTZNUOWBLYKFRU-GFCCVEGCSA-N 1 3 196.338 1.979 10 30 ADEEHO C=C(C)C[N@H+](C)CC[C@H]1CCCN1C 679217516 486953524 /nfs/dbraw/zinc/95/35/24/486953524.db2.gz GTZNUOWBLYKFRU-GFCCVEGCSA-N 1 3 196.338 1.979 10 30 ADEEHO C=CCCC[N@H+](C)C[C@@H]1CCCNC1 158592708 486970755 /nfs/dbraw/zinc/97/07/55/486970755.db2.gz WDBVGECGWBYAFJ-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCCN(C)C[C@H]1CC[NH2+]C1 158593143 486970588 /nfs/dbraw/zinc/97/05/88/486970588.db2.gz ZDCCFPAUWAPSBV-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=CCCC[N@@H+](C)C[C@@H]1CCCNC1 158592708 486970753 /nfs/dbraw/zinc/97/07/53/486970753.db2.gz WDBVGECGWBYAFJ-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCCN(C)C[C@@H]1CCC[NH2+]C1 158592708 486970760 /nfs/dbraw/zinc/97/07/60/486970760.db2.gz WDBVGECGWBYAFJ-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCCN(C)C[C@@H]1CC[NH2+]C1 158593012 486970775 /nfs/dbraw/zinc/97/07/75/486970775.db2.gz ZDCCFPAUWAPSBV-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=CCCC[N@@H+](C)C[C@H]1CCCNC1 158592862 486970790 /nfs/dbraw/zinc/97/07/90/486970790.db2.gz WDBVGECGWBYAFJ-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCC[N@H+](C)C[C@H]1CCCNC1 158592862 486970795 /nfs/dbraw/zinc/97/07/95/486970795.db2.gz WDBVGECGWBYAFJ-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCCN(C)C[C@H]1CCC[NH2+]C1 158592862 486970797 /nfs/dbraw/zinc/97/07/97/486970797.db2.gz WDBVGECGWBYAFJ-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCC[NH2+][C@@H]1CCCNCC1 168535708 487002983 /nfs/dbraw/zinc/00/29/83/487002983.db2.gz DIISOKNTDFRGOP-SNVBAGLBSA-N 1 3 168.284 1.294 10 30 ADEEHO C=CCC[NH2+][C@H]1CCCNCC1 168535806 487003373 /nfs/dbraw/zinc/00/33/73/487003373.db2.gz DIISOKNTDFRGOP-JTQLQIEISA-N 1 3 168.284 1.294 10 30 ADEEHO C=CCN(C)C/C=C\C[N@H+](C)CC=C 681695384 487031329 /nfs/dbraw/zinc/03/13/29/487031329.db2.gz BKBNPRDHCZRXCA-FPLPWBNLSA-N 1 3 194.322 1.778 10 30 ADEEHO C=CCN(C)C/C=C\C[N@@H+](C)CC=C 681695384 487031332 /nfs/dbraw/zinc/03/13/32/487031332.db2.gz BKBNPRDHCZRXCA-FPLPWBNLSA-N 1 3 194.322 1.778 10 30 ADEEHO C=CCN(C)C/C=C/C[N@H+](C)CC=C 681695383 487031375 /nfs/dbraw/zinc/03/13/75/487031375.db2.gz BKBNPRDHCZRXCA-BQYQJAHWSA-N 1 3 194.322 1.778 10 30 ADEEHO C=CCN(C)C/C=C/C[N@@H+](C)CC=C 681695383 487031377 /nfs/dbraw/zinc/03/13/77/487031377.db2.gz BKBNPRDHCZRXCA-BQYQJAHWSA-N 1 3 194.322 1.778 10 30 ADEEHO C=CCC[N@@H+](C)[C@H]1CCCNCC1 231671079 487078099 /nfs/dbraw/zinc/07/80/99/487078099.db2.gz DLANNHFHKVMWNE-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCC[N@H+](C)[C@H]1CCCNCC1 231671079 487078104 /nfs/dbraw/zinc/07/81/04/487078104.db2.gz DLANNHFHKVMWNE-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCCN(C)[C@H]1CCC[NH2+]CC1 231671079 487078109 /nfs/dbraw/zinc/07/81/09/487078109.db2.gz DLANNHFHKVMWNE-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCC[N@@H+](C)[C@@H]1CCCNCC1 231671076 487078445 /nfs/dbraw/zinc/07/84/45/487078445.db2.gz DLANNHFHKVMWNE-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCC[N@H+](C)[C@@H]1CCCNCC1 231671076 487078448 /nfs/dbraw/zinc/07/84/48/487078448.db2.gz DLANNHFHKVMWNE-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCCN(C)[C@@H]1CCC[NH2+]CC1 231671076 487078451 /nfs/dbraw/zinc/07/84/51/487078451.db2.gz DLANNHFHKVMWNE-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCCCN1C[C@@H](C)[C@@H]([NH3+])C1 235361019 487103723 /nfs/dbraw/zinc/10/37/23/487103723.db2.gz INJKTLLTBPLRLX-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCCN1C[C@H](C)[C@@H]([NH3+])C1 235585813 487105858 /nfs/dbraw/zinc/10/58/58/487105858.db2.gz INJKTLLTBPLRLX-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCCN1C[C@H](C)[C@H]([NH3+])C1 300048246 487142505 /nfs/dbraw/zinc/14/25/05/487142505.db2.gz INJKTLLTBPLRLX-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCN[C@@H](C)[C@H]1CC[NH2+]C1 400432029 487287655 /nfs/dbraw/zinc/28/76/55/487287655.db2.gz KHIMFNACUSMXNZ-UWVGGRQHSA-N 1 3 168.284 1.150 10 30 ADEEHO C=CCCN[C@H](C)[C@@H]1CC[NH2+]C1 400432028 487287678 /nfs/dbraw/zinc/28/76/78/487287678.db2.gz KHIMFNACUSMXNZ-NXEZZACHSA-N 1 3 168.284 1.150 10 30 ADEEHO C=CCCN[C@H](C)[C@H]1CC[NH2+]C1 400432031 487287883 /nfs/dbraw/zinc/28/78/83/487287883.db2.gz KHIMFNACUSMXNZ-ZJUUUORDSA-N 1 3 168.284 1.150 10 30 ADEEHO C=CCCN[C@@H](C)[C@@H]1CC[NH2+]C1 400432030 487288078 /nfs/dbraw/zinc/28/80/78/487288078.db2.gz KHIMFNACUSMXNZ-VHSXEESVSA-N 1 3 168.284 1.150 10 30 ADEEHO C=CCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C 666880493 487345023 /nfs/dbraw/zinc/34/50/23/487345023.db2.gz YUDKAOSKMUFLDK-SDDRHHMPSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CCC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 666880495 487345068 /nfs/dbraw/zinc/34/50/68/487345068.db2.gz YUDKAOSKMUFLDK-WOPDTQHZSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CCC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C 666880492 487345219 /nfs/dbraw/zinc/34/52/19/487345219.db2.gz YUDKAOSKMUFLDK-GRYCIOLGSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CCC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 666880494 487345536 /nfs/dbraw/zinc/34/55/36/487345536.db2.gz YUDKAOSKMUFLDK-SRVKXCTJSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@H](C)N1CCC([NH2+]C)CC1 122553674 582464075 /nfs/dbraw/zinc/46/40/75/582464075.db2.gz QDRLOQLVXMLOEG-JTQLQIEISA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[C@H](C)[NH+]1CCC(NC)CC1 122553674 582464076 /nfs/dbraw/zinc/46/40/76/582464076.db2.gz QDRLOQLVXMLOEG-JTQLQIEISA-N 1 3 182.311 1.635 10 30 ADEEHO C=CCC[C@H](C)[NH2+][C@H]1CNCC1(C)C 902447250 582606696 /nfs/dbraw/zinc/60/66/96/582606696.db2.gz XOHLUIOSPDKWMD-QWRGUYRKSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CCC[NH2+][C@H]1CCNCC(C)(C)C1 902393433 582602525 /nfs/dbraw/zinc/60/25/25/582602525.db2.gz RCYRJCYGYBJXNJ-NSHDSACASA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCC[NH2+][C@@H]1CCNCC(C)(C)C1 902393426 582602750 /nfs/dbraw/zinc/60/27/50/582602750.db2.gz RCYRJCYGYBJXNJ-LLVKDONJSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCC[C@@H](C)[NH2+][C@@H]1CNCC1(C)C 902447248 582606284 /nfs/dbraw/zinc/60/62/84/582606284.db2.gz XOHLUIOSPDKWMD-GHMZBOCLSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CCC[C@@H](C)[NH2+][C@H]1CNCC1(C)C 902447249 582606455 /nfs/dbraw/zinc/60/64/55/582606455.db2.gz XOHLUIOSPDKWMD-MNOVXSKESA-N 1 3 196.338 1.929 10 30 ADEEHO C=CCC[C@H](C)[NH2+][C@@H]1CNCC1(C)C 902447251 582606555 /nfs/dbraw/zinc/60/65/55/582606555.db2.gz XOHLUIOSPDKWMD-WDEREUQCSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 903472322 582625234 /nfs/dbraw/zinc/62/52/34/582625234.db2.gz RWEWNLDMNPDBSP-GHMZBOCLSA-N 1 3 194.322 1.825 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 903472325 582625580 /nfs/dbraw/zinc/62/55/80/582625580.db2.gz RWEWNLDMNPDBSP-WDEREUQCSA-N 1 3 194.322 1.825 10 30 ADEEHO C=CC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 903472323 582625737 /nfs/dbraw/zinc/62/57/37/582625737.db2.gz RWEWNLDMNPDBSP-MNOVXSKESA-N 1 3 194.322 1.825 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@H]1CCNC12CCC2 903472324 582625754 /nfs/dbraw/zinc/62/57/54/582625754.db2.gz RWEWNLDMNPDBSP-QWRGUYRKSA-N 1 3 194.322 1.825 10 30 ADEEHO C=CCC[NH2+][C@H]1CCNC12CCC2 903468474 582625764 /nfs/dbraw/zinc/62/57/64/582625764.db2.gz LPCGZCJVGCAAKH-JTQLQIEISA-N 1 3 180.295 1.437 10 30 ADEEHO C=CCC[NH2+][C@@H]1CCNC12CCC2 903468475 582625822 /nfs/dbraw/zinc/62/58/22/582625822.db2.gz LPCGZCJVGCAAKH-SNVBAGLBSA-N 1 3 180.295 1.437 10 30 ADEEHO C=CCCC[N@H+](CC)CCCNC 903849885 582628137 /nfs/dbraw/zinc/62/81/37/582628137.db2.gz IYXOLAPWBMQMMG-UHFFFAOYSA-N 1 3 184.327 1.884 10 30 ADEEHO C=CCCC[N@@H+](CC)CCCNC 903849885 582628138 /nfs/dbraw/zinc/62/81/38/582628138.db2.gz IYXOLAPWBMQMMG-UHFFFAOYSA-N 1 3 184.327 1.884 10 30 ADEEHO C=CCCCN(CC)CCC[NH2+]C 903849885 582628140 /nfs/dbraw/zinc/62/81/40/582628140.db2.gz IYXOLAPWBMQMMG-UHFFFAOYSA-N 1 3 184.327 1.884 10 30 ADEEHO C=CCCCN(CC)C[C@H]1CC[NH2+]C1 903850253 582628254 /nfs/dbraw/zinc/62/82/54/582628254.db2.gz NCCROSUSXBEBKQ-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCCN(CC)C[C@@H]1CC[NH2+]C1 903850252 582629189 /nfs/dbraw/zinc/62/91/89/582629189.db2.gz NCCROSUSXBEBKQ-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCC[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 903963694 582630759 /nfs/dbraw/zinc/63/07/59/582630759.db2.gz FYKNFDMSNQBRHW-OUAUKWLOSA-N 1 3 182.311 1.539 10 30 ADEEHO C=CCC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 903963693 582631042 /nfs/dbraw/zinc/63/10/42/582631042.db2.gz FYKNFDMSNQBRHW-GMTAPVOTSA-N 1 3 182.311 1.539 10 30 ADEEHO C=CC(C)(C)NC[C@H]1CCC[NH2+]C1 904476808 582639328 /nfs/dbraw/zinc/63/93/28/582639328.db2.gz ROGDCDAWGOLEIQ-JTQLQIEISA-N 1 3 182.311 1.540 10 30 ADEEHO C=CC(C)(C)[NH2+]C[C@H]1CCCNC1 904476808 582639329 /nfs/dbraw/zinc/63/93/29/582639329.db2.gz ROGDCDAWGOLEIQ-JTQLQIEISA-N 1 3 182.311 1.540 10 30 ADEEHO C=CC(C)(C)NC[C@@H]([NH3+])CC(F)F 904473544 582639481 /nfs/dbraw/zinc/63/94/81/582639481.db2.gz TTWPICGSHBCYCL-ZETCQYMHSA-N 1 3 192.253 1.523 10 30 ADEEHO C=CC(C)(C)NC[C@H]([NH3+])CC(F)F 904473543 582639584 /nfs/dbraw/zinc/63/95/84/582639584.db2.gz TTWPICGSHBCYCL-SSDOTTSWSA-N 1 3 192.253 1.523 10 30 ADEEHO C=CCN1CC[C@@](C[NH3+])(C(C)(C)C)C1 866705045 583332469 /nfs/dbraw/zinc/33/24/69/583332469.db2.gz ZNEOFOSOWRJLSO-LBPRGKRZSA-N 1 3 196.338 1.869 10 30 ADEEHO C=CC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 866705045 583332471 /nfs/dbraw/zinc/33/24/71/583332471.db2.gz ZNEOFOSOWRJLSO-LBPRGKRZSA-N 1 3 196.338 1.869 10 30 ADEEHO C=CC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 866705045 583332472 /nfs/dbraw/zinc/33/24/72/583332472.db2.gz ZNEOFOSOWRJLSO-LBPRGKRZSA-N 1 3 196.338 1.869 10 30 ADEEHO C=CCN1CC[C@](C[NH3+])(C(C)(C)C)C1 866705044 583332637 /nfs/dbraw/zinc/33/26/37/583332637.db2.gz ZNEOFOSOWRJLSO-GFCCVEGCSA-N 1 3 196.338 1.869 10 30 ADEEHO C=CC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 866705044 583332640 /nfs/dbraw/zinc/33/26/40/583332640.db2.gz ZNEOFOSOWRJLSO-GFCCVEGCSA-N 1 3 196.338 1.869 10 30 ADEEHO C=CC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 866705044 583332644 /nfs/dbraw/zinc/33/26/44/583332644.db2.gz ZNEOFOSOWRJLSO-GFCCVEGCSA-N 1 3 196.338 1.869 10 30 ADEEHO C=CC[C@H](C)N1CCC([NH+](C)C)CC1 877959736 583400884 /nfs/dbraw/zinc/40/08/84/583400884.db2.gz SFKJMBSELKHAHQ-NSHDSACASA-N 1 3 196.338 1.977 10 30 ADEEHO C=CC[C@@H](C)N1CCC([NH+](C)C)CC1 877959735 583401318 /nfs/dbraw/zinc/40/13/18/583401318.db2.gz SFKJMBSELKHAHQ-LLVKDONJSA-N 1 3 196.338 1.977 10 30 ADEEHO C#CCN1CCC2(CC[NH+](C)CC2)C1 878864440 583415345 /nfs/dbraw/zinc/41/53/45/583415345.db2.gz BRUCLZBZOSMEFW-UHFFFAOYSA-N 1 3 192.306 1.037 10 30 ADEEHO C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 879572301 583421104 /nfs/dbraw/zinc/42/11/04/583421104.db2.gz FZWCGYGUHSYORO-NWDGAFQWSA-N 1 3 194.322 1.589 10 30 ADEEHO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 879572301 583421109 /nfs/dbraw/zinc/42/11/09/583421109.db2.gz FZWCGYGUHSYORO-NWDGAFQWSA-N 1 3 194.322 1.589 10 30 ADEEHO C=CCC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 879572300 583421361 /nfs/dbraw/zinc/42/13/61/583421361.db2.gz FZWCGYGUHSYORO-NEPJUHHUSA-N 1 3 194.322 1.589 10 30 ADEEHO C=CCC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 879572300 583421365 /nfs/dbraw/zinc/42/13/65/583421365.db2.gz FZWCGYGUHSYORO-NEPJUHHUSA-N 1 3 194.322 1.589 10 30 ADEEHO C=CCC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 879572303 583421884 /nfs/dbraw/zinc/42/18/84/583421884.db2.gz FZWCGYGUHSYORO-RYUDHWBXSA-N 1 3 194.322 1.589 10 30 ADEEHO C=CCC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 879572303 583421887 /nfs/dbraw/zinc/42/18/87/583421887.db2.gz FZWCGYGUHSYORO-RYUDHWBXSA-N 1 3 194.322 1.589 10 30 ADEEHO C=CCC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 879572304 583422492 /nfs/dbraw/zinc/42/24/92/583422492.db2.gz FZWCGYGUHSYORO-VXGBXAGGSA-N 1 3 194.322 1.589 10 30 ADEEHO C=CCC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 879572304 583422494 /nfs/dbraw/zinc/42/24/94/583422494.db2.gz FZWCGYGUHSYORO-VXGBXAGGSA-N 1 3 194.322 1.589 10 30 ADEEHO C=C(C)CN1CC[C@H]2[C@H]1CCC[N@H+]2C 880129132 583425341 /nfs/dbraw/zinc/42/53/41/583425341.db2.gz DCPRIGZQHOYOTC-NWDGAFQWSA-N 1 3 194.322 1.731 10 30 ADEEHO C=C(C)CN1CC[C@H]2[C@H]1CCC[N@@H+]2C 880129132 583425344 /nfs/dbraw/zinc/42/53/44/583425344.db2.gz DCPRIGZQHOYOTC-NWDGAFQWSA-N 1 3 194.322 1.731 10 30 ADEEHO C=C(C)CN1CC[C@H]2[C@@H]1CCC[N@H+]2C 880129133 583425442 /nfs/dbraw/zinc/42/54/42/583425442.db2.gz DCPRIGZQHOYOTC-RYUDHWBXSA-N 1 3 194.322 1.731 10 30 ADEEHO C=C(C)CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C 880129133 583425444 /nfs/dbraw/zinc/42/54/44/583425444.db2.gz DCPRIGZQHOYOTC-RYUDHWBXSA-N 1 3 194.322 1.731 10 30 ADEEHO C=C(C)CN1CC[C@@H]2[C@H]1CCC[N@H+]2C 880129134 583425877 /nfs/dbraw/zinc/42/58/77/583425877.db2.gz DCPRIGZQHOYOTC-VXGBXAGGSA-N 1 3 194.322 1.731 10 30 ADEEHO C=C(C)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C 880129134 583425879 /nfs/dbraw/zinc/42/58/79/583425879.db2.gz DCPRIGZQHOYOTC-VXGBXAGGSA-N 1 3 194.322 1.731 10 30 ADEEHO C=C(C)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C 880129131 583426375 /nfs/dbraw/zinc/42/63/75/583426375.db2.gz DCPRIGZQHOYOTC-NEPJUHHUSA-N 1 3 194.322 1.731 10 30 ADEEHO C=C(C)CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C 880129131 583426376 /nfs/dbraw/zinc/42/63/76/583426376.db2.gz DCPRIGZQHOYOTC-NEPJUHHUSA-N 1 3 194.322 1.731 10 30 ADEEHO C=CC[C@@H](C)N1CC[C@H]([NH3+])[C@@H]1C 883430324 583465352 /nfs/dbraw/zinc/46/53/52/583465352.db2.gz RYNNOCLVWKMDMK-UTLUCORTSA-N 1 3 168.284 1.373 10 30 ADEEHO C=CC[C@H](C)N1C[C@H]2CCC[C@]2([NH3+])C1 883437285 583465912 /nfs/dbraw/zinc/46/59/12/583465912.db2.gz OAUDVAUIDBHJHI-TUAOUCFPSA-N 1 3 194.322 1.764 10 30 ADEEHO C=CC[C@H](C)N1C[C@@H]2CCC[C@]2([NH3+])C1 883437284 583465975 /nfs/dbraw/zinc/46/59/75/583465975.db2.gz OAUDVAUIDBHJHI-SRVKXCTJSA-N 1 3 194.322 1.764 10 30 ADEEHO C=CC[C@H](C)N1C[C@@H]2CCC[C@@]2([NH3+])C1 883437283 583466423 /nfs/dbraw/zinc/46/64/23/583466423.db2.gz OAUDVAUIDBHJHI-SDDRHHMPSA-N 1 3 194.322 1.764 10 30 ADEEHO C=CC[C@@H](C)N1CC2CC1(C[NH3+])C2 883436376 583467196 /nfs/dbraw/zinc/46/71/96/583467196.db2.gz RECQGEMGNLELLT-KPPDAEKUSA-N 1 3 180.295 1.374 10 30 ADEEHO C=CC[C@H](C)N1CC2CC1(C[NH3+])C2 883436377 583467503 /nfs/dbraw/zinc/46/75/03/583467503.db2.gz RECQGEMGNLELLT-WHXUTIOJSA-N 1 3 180.295 1.374 10 30 ADEEHO C=CC[C@H](C)N1C[C@H]2CCC[C@@]2([NH3+])C1 883437282 583467546 /nfs/dbraw/zinc/46/75/46/583467546.db2.gz OAUDVAUIDBHJHI-QJPTWQEYSA-N 1 3 194.322 1.764 10 30 ADEEHO C=CC[N@H+]1CCNCCC1(C)C 218762503 583493464 /nfs/dbraw/zinc/49/34/64/583493464.db2.gz LITNAZFIMJELRJ-UHFFFAOYSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CC[N@@H+]1CCNCCC1(C)C 218762503 583493466 /nfs/dbraw/zinc/49/34/66/583493466.db2.gz LITNAZFIMJELRJ-UHFFFAOYSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CCCC[N@@H+](C)[C@@H](C)CCN 220312680 583500018 /nfs/dbraw/zinc/50/00/18/583500018.db2.gz GKBRGQIDSDPWFZ-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCCC[N@H+](C)[C@@H](C)CCN 220312680 583500020 /nfs/dbraw/zinc/50/00/20/583500020.db2.gz GKBRGQIDSDPWFZ-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCCCN(C)[C@@H](C)CC[NH3+] 220312680 583500023 /nfs/dbraw/zinc/50/00/23/583500023.db2.gz GKBRGQIDSDPWFZ-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCCC[N@@H+](C)[C@H](C)CCN 220312743 583500098 /nfs/dbraw/zinc/50/00/98/583500098.db2.gz GKBRGQIDSDPWFZ-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCCC[N@H+](C)[C@H](C)CCN 220312743 583500101 /nfs/dbraw/zinc/50/01/01/583500101.db2.gz GKBRGQIDSDPWFZ-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCCCN(C)[C@H](C)CC[NH3+] 220312743 583500103 /nfs/dbraw/zinc/50/01/03/583500103.db2.gz GKBRGQIDSDPWFZ-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCCC[N@@H+](C)C[C@H](C)CN 220268565 583500143 /nfs/dbraw/zinc/50/01/43/583500143.db2.gz HQXYOZXDKGTDND-SNVBAGLBSA-N 1 3 170.300 1.479 10 30 ADEEHO C=CCCC[N@H+](C)C[C@H](C)CN 220268565 583500144 /nfs/dbraw/zinc/50/01/44/583500144.db2.gz HQXYOZXDKGTDND-SNVBAGLBSA-N 1 3 170.300 1.479 10 30 ADEEHO C=CCCCN(C)C[C@H](C)C[NH3+] 220268565 583500146 /nfs/dbraw/zinc/50/01/46/583500146.db2.gz HQXYOZXDKGTDND-SNVBAGLBSA-N 1 3 170.300 1.479 10 30 ADEEHO C=CCCC[N@@H+](C)C[C@@H](C)CN 220268498 583500292 /nfs/dbraw/zinc/50/02/92/583500292.db2.gz HQXYOZXDKGTDND-JTQLQIEISA-N 1 3 170.300 1.479 10 30 ADEEHO C=CCCC[N@H+](C)C[C@@H](C)CN 220268498 583500295 /nfs/dbraw/zinc/50/02/95/583500295.db2.gz HQXYOZXDKGTDND-JTQLQIEISA-N 1 3 170.300 1.479 10 30 ADEEHO C=CCCCN(C)C[C@@H](C)C[NH3+] 220268498 583500299 /nfs/dbraw/zinc/50/02/99/583500299.db2.gz HQXYOZXDKGTDND-JTQLQIEISA-N 1 3 170.300 1.479 10 30 ADEEHO C=CCCCN(C)CC[C@@H](C)[NH3+] 220264781 583500390 /nfs/dbraw/zinc/50/03/90/583500390.db2.gz RWBVRUBBSWOSHH-SNVBAGLBSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCCCN(C)CC1C[NH2+]C1 220272348 583500536 /nfs/dbraw/zinc/50/05/36/583500536.db2.gz CWRQQFSQTBVEKX-UHFFFAOYSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCCC[N@@H+](C)CC1CNC1 220272348 583500538 /nfs/dbraw/zinc/50/05/38/583500538.db2.gz CWRQQFSQTBVEKX-UHFFFAOYSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCCC[N@H+](C)CC1CNC1 220272348 583500540 /nfs/dbraw/zinc/50/05/40/583500540.db2.gz CWRQQFSQTBVEKX-UHFFFAOYSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCCCN(C)CC[C@H](C)[NH3+] 220264857 583500567 /nfs/dbraw/zinc/50/05/67/583500567.db2.gz RWBVRUBBSWOSHH-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCCC[N@H+](C)CCCN 133214268 491037323 /nfs/dbraw/zinc/03/73/23/491037323.db2.gz AZIBPAXROXAQFS-UHFFFAOYSA-N 1 3 156.273 1.233 10 30 ADEEHO C=CCCC[N@@H+](C)CCCN 133214268 491037324 /nfs/dbraw/zinc/03/73/24/491037324.db2.gz AZIBPAXROXAQFS-UHFFFAOYSA-N 1 3 156.273 1.233 10 30 ADEEHO C=CCCCN(C)CCC[NH3+] 133214268 491037325 /nfs/dbraw/zinc/03/73/25/491037325.db2.gz AZIBPAXROXAQFS-UHFFFAOYSA-N 1 3 156.273 1.233 10 30 ADEEHO C=CCCCN(C)C[C@]1(C)CC[NH2+]C1 220262192 491040563 /nfs/dbraw/zinc/04/05/63/491040563.db2.gz GAXKFBIGPCWEQX-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CCCCN(C)C[C@@]1(C)CC[NH2+]C1 220262130 491040604 /nfs/dbraw/zinc/04/06/04/491040604.db2.gz GAXKFBIGPCWEQX-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)C1 122552061 697638551 /nfs/dbraw/zinc/63/85/51/697638551.db2.gz GNJDHSOIHRNXRN-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)C1 122552061 697638553 /nfs/dbraw/zinc/63/85/53/697638553.db2.gz GNJDHSOIHRNXRN-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@@H](C)[NH+]1CCC(N)CC1 122560222 697638668 /nfs/dbraw/zinc/63/86/68/697638668.db2.gz JFGOTFMELBDKOW-SECBINFHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC[C@@H](C)N1CCC([NH3+])CC1 122560222 697638671 /nfs/dbraw/zinc/63/86/71/697638671.db2.gz JFGOTFMELBDKOW-SECBINFHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC[C@H](C)[NH+]1CCC(N)CC1 122560009 697638694 /nfs/dbraw/zinc/63/86/94/697638694.db2.gz JFGOTFMELBDKOW-VIFPVBQESA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC[C@H](C)N1CCC([NH3+])CC1 122560009 697638697 /nfs/dbraw/zinc/63/86/97/697638697.db2.gz JFGOTFMELBDKOW-VIFPVBQESA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC[C@@H](C)N1CCC([NH2+]C)CC1 122553881 697638759 /nfs/dbraw/zinc/63/87/59/697638759.db2.gz QDRLOQLVXMLOEG-SNVBAGLBSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)C1 122551893 697638979 /nfs/dbraw/zinc/63/89/79/697638979.db2.gz GNJDHSOIHRNXRN-VWYCJHECSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)C1 122551893 697638984 /nfs/dbraw/zinc/63/89/84/697638984.db2.gz GNJDHSOIHRNXRN-VWYCJHECSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CN)C1 723867481 698074647 /nfs/dbraw/zinc/07/46/47/698074647.db2.gz YGVYUFLUSDTJMT-GMTAPVOTSA-N 1 3 182.311 1.478 10 30 ADEEHO C=CC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CN)C1 723867481 698074652 /nfs/dbraw/zinc/07/46/52/698074652.db2.gz YGVYUFLUSDTJMT-GMTAPVOTSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C1CCC(C[NH2+][C@H]2CCNC2)CC1 724486494 698076399 /nfs/dbraw/zinc/07/63/99/698076399.db2.gz REQIBUPMOJBGMY-LBPRGKRZSA-N 1 3 194.322 1.684 10 30 ADEEHO C=C1CCC(C[NH2+][C@@H]2CCNC2)CC1 724486492 698076473 /nfs/dbraw/zinc/07/64/73/698076473.db2.gz REQIBUPMOJBGMY-GFCCVEGCSA-N 1 3 194.322 1.684 10 30 ADEEHO C=C(C)C[N@H+]1CCCC[C@H]1[C@H](C)N 63195770 343405569 /nfs/dbraw/zinc/40/55/69/343405569.db2.gz AUZKBFHIVKTVJG-QWRGUYRKSA-N 1 3 182.311 1.764 10 30 ADEEHO C#CC(C)(C)N1CC[C@@H]([NH3+])C[C@H]1C 69681997 343433439 /nfs/dbraw/zinc/43/34/39/343433439.db2.gz SFDIPKSEUMWCQT-NXEZZACHSA-N 1 3 180.295 1.210 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H](CN)C[C@@H]1C 126904904 343799903 /nfs/dbraw/zinc/79/99/03/343799903.db2.gz YJTRDMMIIJYMOZ-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H](CN)C[C@@H]1C 126904904 343799904 /nfs/dbraw/zinc/79/99/04/343799904.db2.gz YJTRDMMIIJYMOZ-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN1C[C@@H](C[NH3+])C[C@@H]1C 126904904 343799905 /nfs/dbraw/zinc/79/99/05/343799905.db2.gz YJTRDMMIIJYMOZ-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C#CC[N@@H+](CCC)C1CCNCC1 37469611 166020319 /nfs/dbraw/zinc/02/03/19/166020319.db2.gz LAEQCASXSBYDSK-UHFFFAOYSA-N 1 3 180.295 1.084 10 30 ADEEHO C#CC[N@H+](CCC)C1CCNCC1 37469611 166020321 /nfs/dbraw/zinc/02/03/21/166020321.db2.gz LAEQCASXSBYDSK-UHFFFAOYSA-N 1 3 180.295 1.084 10 30 ADEEHO C#CC[NH2+][C@H](C)[C@H]1CCCN(CC)C1 37208512 166026712 /nfs/dbraw/zinc/02/67/12/166026712.db2.gz FTDMMHYVABVTQO-NEPJUHHUSA-N 1 3 194.322 1.330 10 30 ADEEHO C#CC[NH2+][C@H](C)[C@@H]1CCCN(CC)C1 37208513 166027863 /nfs/dbraw/zinc/02/78/63/166027863.db2.gz FTDMMHYVABVTQO-VXGBXAGGSA-N 1 3 194.322 1.330 10 30 ADEEHO C=C(C)C[N@@H+](C)C1CCNCC1 36300570 166116844 /nfs/dbraw/zinc/11/68/44/166116844.db2.gz HBGQFIXVXVKTCR-UHFFFAOYSA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C)C[N@H+](C)C1CCNCC1 36300570 166116846 /nfs/dbraw/zinc/11/68/46/166116846.db2.gz HBGQFIXVXVKTCR-UHFFFAOYSA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C)C[N@@H+](CC)C1CCNCC1 37469527 166118969 /nfs/dbraw/zinc/11/89/69/166118969.db2.gz QOZPNIXKHBAEIX-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=C(C)C[N@H+](CC)C1CCNCC1 37469527 166118973 /nfs/dbraw/zinc/11/89/73/166118973.db2.gz QOZPNIXKHBAEIX-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=C(C)CN(CC)C1CC[NH2+]CC1 37469527 166118974 /nfs/dbraw/zinc/11/89/74/166118974.db2.gz QOZPNIXKHBAEIX-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=C(C)CN1CCC[C@H](C[NH3+])C1 44529438 166119106 /nfs/dbraw/zinc/11/91/06/166119106.db2.gz MMJFEJBTCWHDLZ-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(C)CN(CC)C[C@@H]1CCC[NH2+]C1 21950208 166119536 /nfs/dbraw/zinc/11/95/36/166119536.db2.gz IMSCZFLRFVAPRR-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@@H]1CCCNC1 21950208 166119538 /nfs/dbraw/zinc/11/95/38/166119538.db2.gz IMSCZFLRFVAPRR-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@@H]1CCCNC1 21950208 166119541 /nfs/dbraw/zinc/11/95/41/166119541.db2.gz IMSCZFLRFVAPRR-GFCCVEGCSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(C)CN(CC)C[C@H]1CCC[NH2+]C1 21950210 166119810 /nfs/dbraw/zinc/11/98/10/166119810.db2.gz IMSCZFLRFVAPRR-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@H]1CCCNC1 21950210 166119812 /nfs/dbraw/zinc/11/98/12/166119812.db2.gz IMSCZFLRFVAPRR-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@H]1CCCNC1 21950210 166119813 /nfs/dbraw/zinc/11/98/13/166119813.db2.gz IMSCZFLRFVAPRR-LBPRGKRZSA-N 1 3 196.338 1.884 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@@H](C)N 20074177 166119864 /nfs/dbraw/zinc/11/98/64/166119864.db2.gz KSOWAQPRXNPMBY-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@@H](C)N 20074177 166119865 /nfs/dbraw/zinc/11/98/65/166119865.db2.gz KSOWAQPRXNPMBY-SECBINFHSA-N 1 3 156.273 1.232 10 30 ADEEHO C=C(C)CN1CCC[C@@H](C[NH3+])C1 44529440 166119910 /nfs/dbraw/zinc/11/99/10/166119910.db2.gz MMJFEJBTCWHDLZ-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@H](N)C(C)C 20074176 166120012 /nfs/dbraw/zinc/12/00/12/166120012.db2.gz YZBRLMHXEJJZDH-NSHDSACASA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@H](N)C(C)C 20074176 166120015 /nfs/dbraw/zinc/12/00/15/166120015.db2.gz YZBRLMHXEJJZDH-NSHDSACASA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)CN(CC)CCC[NH3+] 21948831 166120341 /nfs/dbraw/zinc/12/03/41/166120341.db2.gz RAGNPRFTQFEDBI-UHFFFAOYSA-N 1 3 156.273 1.233 10 30 ADEEHO C=C(C)C[N@@H+](CC)CC(C)(C)N 40925825 166120697 /nfs/dbraw/zinc/12/06/97/166120697.db2.gz RUSSIMPURYUYLO-UHFFFAOYSA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)C[N@H+](CC)CC(C)(C)N 40925825 166120699 /nfs/dbraw/zinc/12/06/99/166120699.db2.gz RUSSIMPURYUYLO-UHFFFAOYSA-N 1 3 170.300 1.622 10 30 ADEEHO C=C(C)CN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750155 166120925 /nfs/dbraw/zinc/12/09/25/166120925.db2.gz JNCWRKCIMQQKSK-FGWVZKOKSA-N 1 3 180.295 1.517 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@@H](N)C(C)C 20074174 166121331 /nfs/dbraw/zinc/12/13/31/166121331.db2.gz YZBRLMHXEJJZDH-LLVKDONJSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@@H](N)C(C)C 20074174 166121333 /nfs/dbraw/zinc/12/13/33/166121333.db2.gz YZBRLMHXEJJZDH-LLVKDONJSA-N 1 3 184.327 1.868 10 30 ADEEHO C=C(C)C[N@H+](CC)C[C@H](C)N 20074180 166121418 /nfs/dbraw/zinc/12/14/18/166121418.db2.gz KSOWAQPRXNPMBY-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C=C(C)C[N@@H+](CC)C[C@H](C)N 20074180 166121420 /nfs/dbraw/zinc/12/14/20/166121420.db2.gz KSOWAQPRXNPMBY-VIFPVBQESA-N 1 3 156.273 1.232 10 30 ADEEHO C=C(C)CN[C@H](C)CC[NH+](C)C 51753535 166122069 /nfs/dbraw/zinc/12/20/69/166122069.db2.gz IISRNBZQWHTSQN-SNVBAGLBSA-N 1 3 170.300 1.492 10 30 ADEEHO C=C(C)CNC[C@@H]1CC[N@@H+](C(C)C)C1 51753628 166122141 /nfs/dbraw/zinc/12/21/41/166122141.db2.gz MFGRQVGYLZGLEN-LBPRGKRZSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)CNC[C@@H]1CC[N@H+](C(C)C)C1 51753628 166122143 /nfs/dbraw/zinc/12/21/43/166122143.db2.gz MFGRQVGYLZGLEN-LBPRGKRZSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C(C)C)C1 51753628 166122144 /nfs/dbraw/zinc/12/21/44/166122144.db2.gz MFGRQVGYLZGLEN-LBPRGKRZSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)CN[C@@H](C)CC[NH+](C)C 51753533 166122498 /nfs/dbraw/zinc/12/24/98/166122498.db2.gz IISRNBZQWHTSQN-JTQLQIEISA-N 1 3 170.300 1.492 10 30 ADEEHO C=C(C)C[NH2+]C[C@H]1CCN(CC)C1 51753313 166122619 /nfs/dbraw/zinc/12/26/19/166122619.db2.gz RXFYMYJGFBULJE-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(C)CNC[C@H]1CC[N@@H+](CC)C1 51753313 166122621 /nfs/dbraw/zinc/12/26/21/166122621.db2.gz RXFYMYJGFBULJE-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(C)CNC[C@H]1CC[N@H+](CC)C1 51753313 166122624 /nfs/dbraw/zinc/12/26/24/166122624.db2.gz RXFYMYJGFBULJE-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(C)C[NH2+]CCCN(CC)CC 49773655 166122689 /nfs/dbraw/zinc/12/26/89/166122689.db2.gz XOSDRDNKDQMWEJ-UHFFFAOYSA-N 1 3 184.327 1.884 10 30 ADEEHO C=C(C)CNC[C@@H]1CC[N@@H+](C)C1 51753319 166122881 /nfs/dbraw/zinc/12/28/81/166122881.db2.gz ONAPOQWGQFPRJI-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=C(C)CNC[C@@H]1CC[N@H+](C)C1 51753319 166122884 /nfs/dbraw/zinc/12/28/84/166122884.db2.gz ONAPOQWGQFPRJI-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=C(C)C[NH2+]C[C@@H]1CCN(CC)C1 51753315 166123492 /nfs/dbraw/zinc/12/34/92/166123492.db2.gz RXFYMYJGFBULJE-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(C)CNC[C@@H]1CC[N@@H+](CC)C1 51753315 166123493 /nfs/dbraw/zinc/12/34/93/166123493.db2.gz RXFYMYJGFBULJE-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(C)CNC[C@@H]1CC[N@H+](CC)C1 51753315 166123494 /nfs/dbraw/zinc/12/34/94/166123494.db2.gz RXFYMYJGFBULJE-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=C(C)C[NH2+]C[C@H]1CCN(C2CC2)C1 51753350 166123558 /nfs/dbraw/zinc/12/35/58/166123558.db2.gz VPYJUNDESVMROV-LLVKDONJSA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CNC[C@H]1CC[N@@H+](C2CC2)C1 51753350 166123559 /nfs/dbraw/zinc/12/35/59/166123559.db2.gz VPYJUNDESVMROV-LLVKDONJSA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CNC[C@H]1CC[N@H+](C2CC2)C1 51753350 166123560 /nfs/dbraw/zinc/12/35/60/166123560.db2.gz VPYJUNDESVMROV-LLVKDONJSA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CN[C@H]1CC[N@@H+]2CCC[C@H]12 51753544 166123631 /nfs/dbraw/zinc/12/36/31/166123631.db2.gz BBABYNUPQFPDKD-WDEREUQCSA-N 1 3 180.295 1.389 10 30 ADEEHO C=C(C)CN[C@H]1CC[N@H+]2CCC[C@H]12 51753544 166123633 /nfs/dbraw/zinc/12/36/33/166123633.db2.gz BBABYNUPQFPDKD-WDEREUQCSA-N 1 3 180.295 1.389 10 30 ADEEHO C=C(C)CNCCC[NH+](C)C 49753077 166123639 /nfs/dbraw/zinc/12/36/39/166123639.db2.gz CYZATINNTNJDJC-UHFFFAOYSA-N 1 3 156.273 1.104 10 30 ADEEHO C=C(C)CNC[C@H]1CC[N@@H+](C(C)C)C1 51753626 166123647 /nfs/dbraw/zinc/12/36/47/166123647.db2.gz MFGRQVGYLZGLEN-GFCCVEGCSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)CNC[C@H]1CC[N@H+](C(C)C)C1 51753626 166123648 /nfs/dbraw/zinc/12/36/48/166123648.db2.gz MFGRQVGYLZGLEN-GFCCVEGCSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)C[NH2+]C[C@H]1CCN(C(C)C)C1 51753626 166123649 /nfs/dbraw/zinc/12/36/49/166123649.db2.gz MFGRQVGYLZGLEN-GFCCVEGCSA-N 1 3 196.338 1.882 10 30 ADEEHO C=C(C)CNCC(C)(C)C[NH+](C)C 49799989 166123697 /nfs/dbraw/zinc/12/36/97/166123697.db2.gz LGLIEZWMVNWHSP-UHFFFAOYSA-N 1 3 184.327 1.740 10 30 ADEEHO C=C(C)C[NH2+]C[C@@H]1CCN(C2CC2)C1 51753348 166123767 /nfs/dbraw/zinc/12/37/67/166123767.db2.gz VPYJUNDESVMROV-NSHDSACASA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CNC[C@@H]1CC[N@@H+](C2CC2)C1 51753348 166123768 /nfs/dbraw/zinc/12/37/68/166123768.db2.gz VPYJUNDESVMROV-NSHDSACASA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CNC[C@@H]1CC[N@H+](C2CC2)C1 51753348 166123769 /nfs/dbraw/zinc/12/37/69/166123769.db2.gz VPYJUNDESVMROV-NSHDSACASA-N 1 3 194.322 1.636 10 30 ADEEHO C=C(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]12 51753542 166123855 /nfs/dbraw/zinc/12/38/55/166123855.db2.gz BBABYNUPQFPDKD-GHMZBOCLSA-N 1 3 180.295 1.389 10 30 ADEEHO C=C(C)CN[C@@H]1CC[N@H+]2CCC[C@H]12 51753542 166123858 /nfs/dbraw/zinc/12/38/58/166123858.db2.gz BBABYNUPQFPDKD-GHMZBOCLSA-N 1 3 180.295 1.389 10 30 ADEEHO C=C(C)CNC[C@H]1CC[N@@H+](C)C1 51753320 166123940 /nfs/dbraw/zinc/12/39/40/166123940.db2.gz ONAPOQWGQFPRJI-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=C(C)CNC[C@H]1CC[N@H+](C)C1 51753320 166123942 /nfs/dbraw/zinc/12/39/42/166123942.db2.gz ONAPOQWGQFPRJI-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=C(Cl)CNCCCC[NH+](C)C 45697936 166137999 /nfs/dbraw/zinc/13/79/99/166137999.db2.gz VQNRDKYQMAEKPN-UHFFFAOYSA-N 1 3 190.718 1.670 10 30 ADEEHO C=CC[N@@H+](CC)C1CCNCC1 37653830 166171430 /nfs/dbraw/zinc/17/14/30/166171430.db2.gz GABYTZHPECNSPP-UHFFFAOYSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CC[N@H+](CC)C1CCNCC1 37653830 166171432 /nfs/dbraw/zinc/17/14/32/166171432.db2.gz GABYTZHPECNSPP-UHFFFAOYSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CC[N@@H+](C)C1C[C@@H]2CC[C@H](C1)N2C 335944278 166171920 /nfs/dbraw/zinc/17/19/20/166171920.db2.gz ANCHLCGNYJVVAW-FOSCPWQOSA-N 1 3 194.322 1.729 10 30 ADEEHO C=CC[N@H+](C)C1C[C@@H]2CC[C@H](C1)N2C 335944278 166171921 /nfs/dbraw/zinc/17/19/21/166171921.db2.gz ANCHLCGNYJVVAW-FOSCPWQOSA-N 1 3 194.322 1.729 10 30 ADEEHO C=CCN1C[C@@H](C[NH3+])CC[C@@H]1C 52144911 166178260 /nfs/dbraw/zinc/17/82/60/166178260.db2.gz JVUSXLBMZHPZNF-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN1C[C@@H](C[NH3+])CC[C@H]1C 52144909 166178277 /nfs/dbraw/zinc/17/82/77/166178277.db2.gz JVUSXLBMZHPZNF-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN1C[C@H](C[NH3+])CC[C@@H]1C 52144916 166180779 /nfs/dbraw/zinc/18/07/79/166180779.db2.gz JVUSXLBMZHPZNF-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750096 166180848 /nfs/dbraw/zinc/18/08/48/166180848.db2.gz RUYILTSQPHDZEL-PBINXNQUSA-N 1 3 166.268 1.127 10 30 ADEEHO C=CCN1C[C@H](C[NH3+])CC[C@H]1C 52144914 166181238 /nfs/dbraw/zinc/18/12/38/166181238.db2.gz JVUSXLBMZHPZNF-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCNC1CC[NH+](CCC)CC1 19875749 166184533 /nfs/dbraw/zinc/18/45/33/166184533.db2.gz ATQYGJBDZTYAFZ-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCNC1CC[NH+](CC)CC1 19875745 166184587 /nfs/dbraw/zinc/18/45/87/166184587.db2.gz IRTYNOVNQZXBGX-UHFFFAOYSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CCNC1CC[NH+](C(C)C)CC1 19875743 166184613 /nfs/dbraw/zinc/18/46/13/166184613.db2.gz LTCYHTFWJXWABZ-UHFFFAOYSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[NH2+]C1C[C@@H]2CC[C@H](C1)N2C 20523781 166185514 /nfs/dbraw/zinc/18/55/14/166185514.db2.gz KXJUQRLDLWSNKA-FGWVZKOKSA-N 1 3 180.295 1.387 10 30 ADEEHO C=CCNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C 20523781 166185515 /nfs/dbraw/zinc/18/55/15/166185515.db2.gz KXJUQRLDLWSNKA-FGWVZKOKSA-N 1 3 180.295 1.387 10 30 ADEEHO C=CCNC1C[C@@H]2CC[C@H](C1)[N@H+]2C 20523781 166185516 /nfs/dbraw/zinc/18/55/16/166185516.db2.gz KXJUQRLDLWSNKA-FGWVZKOKSA-N 1 3 180.295 1.387 10 30 ADEEHO C=CCNC[C@H]1CCC[N@@H+](C)C1 50522273 166186567 /nfs/dbraw/zinc/18/65/67/166186567.db2.gz JQXKCSIGDNSAQJ-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCNC[C@H]1CCC[N@H+](C)C1 50522273 166186569 /nfs/dbraw/zinc/18/65/69/166186569.db2.gz JQXKCSIGDNSAQJ-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CC[NH2+]CC[C@H]1CCCCN1C 49754156 166186661 /nfs/dbraw/zinc/18/66/61/166186661.db2.gz VUWAOYPTAMHDEN-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCNCC(C)(C)C[NH+](C)C 49799987 166186725 /nfs/dbraw/zinc/18/67/25/166186725.db2.gz LQWKHMBUYQGOPE-UHFFFAOYSA-N 1 3 170.300 1.350 10 30 ADEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C 49754157 166186841 /nfs/dbraw/zinc/18/68/41/166186841.db2.gz VUWAOYPTAMHDEN-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCNC[C@H]1CCC[N@H+]1CC 49801732 166187540 /nfs/dbraw/zinc/18/75/40/166187540.db2.gz VZVWJMCZMJDZJR-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CCNC[C@H]1CCC[N@@H+]1CC 49801732 166187542 /nfs/dbraw/zinc/18/75/42/166187542.db2.gz VZVWJMCZMJDZJR-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CC[NH2+]CCCN(CC)CC 41168364 166187657 /nfs/dbraw/zinc/18/76/57/166187657.db2.gz TWEMDHGHYMAPSV-UHFFFAOYSA-N 1 3 170.300 1.494 10 30 ADEEHO C=CC[NH2+]CCCN1CCCCC1 41202207 166187931 /nfs/dbraw/zinc/18/79/31/166187931.db2.gz OPNOEPAEZCXYKW-UHFFFAOYSA-N 1 3 182.311 1.638 10 30 ADEEHO C=CCNCCC[NH+]1CCCC1 41168196 166187995 /nfs/dbraw/zinc/18/79/95/166187995.db2.gz BQSOSXGBXQXJCU-UHFFFAOYSA-N 1 3 168.284 1.248 10 30 ADEEHO C=CC[NH2+]CCCN1CCCC1 41168196 166187997 /nfs/dbraw/zinc/18/79/97/166187997.db2.gz BQSOSXGBXQXJCU-UHFFFAOYSA-N 1 3 168.284 1.248 10 30 ADEEHO C=CCNC[C@@H]1CC[N@@H+](C(C)C)C1 50522362 166188076 /nfs/dbraw/zinc/18/80/76/166188076.db2.gz BWRSAZRGTXZESS-NSHDSACASA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCNC[C@@H]1CC[N@H+](C(C)C)C1 50522362 166188078 /nfs/dbraw/zinc/18/80/78/166188078.db2.gz BWRSAZRGTXZESS-NSHDSACASA-N 1 3 182.311 1.492 10 30 ADEEHO C=CC[NH2+]C[C@@H]1CCN(C(C)C)C1 50522362 166188080 /nfs/dbraw/zinc/18/80/80/166188080.db2.gz BWRSAZRGTXZESS-NSHDSACASA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCNC[C@@H]1CCC[N@@H+](C)C1 50522275 166188118 /nfs/dbraw/zinc/18/81/18/166188118.db2.gz JQXKCSIGDNSAQJ-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCNC[C@@H]1CCC[N@H+](C)C1 50522275 166188119 /nfs/dbraw/zinc/18/81/19/166188119.db2.gz JQXKCSIGDNSAQJ-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCNC[C@@H]1CCC[N@H+]1CC 49801733 166188643 /nfs/dbraw/zinc/18/86/43/166188643.db2.gz VZVWJMCZMJDZJR-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO C=CCNC[C@@H]1CCC[N@@H+]1CC 49801733 166188646 /nfs/dbraw/zinc/18/86/46/166188646.db2.gz VZVWJMCZMJDZJR-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO C=CCNC[C@H]1CC[N@@H+](C(C)C)C1 50522360 166188672 /nfs/dbraw/zinc/18/86/72/166188672.db2.gz BWRSAZRGTXZESS-LLVKDONJSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCNC[C@H]1CC[N@H+](C(C)C)C1 50522360 166188674 /nfs/dbraw/zinc/18/86/74/166188674.db2.gz BWRSAZRGTXZESS-LLVKDONJSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CC[NH2+]C[C@H]1CCN(C(C)C)C1 50522360 166188675 /nfs/dbraw/zinc/18/86/75/166188675.db2.gz BWRSAZRGTXZESS-LLVKDONJSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN[C@@H](C)[C@@H]1CCC[N@H+](C)C1 37208528 166189301 /nfs/dbraw/zinc/18/93/01/166189301.db2.gz KISHUORMOLMAKF-WDEREUQCSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN[C@@H](C)[C@@H]1CCC[N@@H+](C)C1 37208528 166189304 /nfs/dbraw/zinc/18/93/04/166189304.db2.gz KISHUORMOLMAKF-WDEREUQCSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN[C@@H](C)[C@H]1CCC[N@H+](C)C1 37208530 166191203 /nfs/dbraw/zinc/19/12/03/166191203.db2.gz KISHUORMOLMAKF-QWRGUYRKSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN[C@@H](C)[C@H]1CCC[N@@H+](C)C1 37208530 166191204 /nfs/dbraw/zinc/19/12/04/166191204.db2.gz KISHUORMOLMAKF-QWRGUYRKSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN[C@H](C)[C@H]1CCC[N@H+](C)C1 37208531 166192330 /nfs/dbraw/zinc/19/23/30/166192330.db2.gz KISHUORMOLMAKF-MNOVXSKESA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN[C@H](C)[C@H]1CCC[N@@H+](C)C1 37208531 166192332 /nfs/dbraw/zinc/19/23/32/166192332.db2.gz KISHUORMOLMAKF-MNOVXSKESA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN[C@H](C)[C@@H]1CCC[N@H+](C)C1 37208529 166192695 /nfs/dbraw/zinc/19/26/95/166192695.db2.gz KISHUORMOLMAKF-GHMZBOCLSA-N 1 3 182.311 1.492 10 30 ADEEHO C=CCN[C@H](C)[C@@H]1CCC[N@@H+](C)C1 37208529 166192696 /nfs/dbraw/zinc/19/26/96/166192696.db2.gz KISHUORMOLMAKF-GHMZBOCLSA-N 1 3 182.311 1.492 10 30 ADEEHO C=C[C@@H](C)N1CCC[C@H](C[NH3+])C1 52143870 166213086 /nfs/dbraw/zinc/21/30/86/166213086.db2.gz AMHPPYXTPGYQGI-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@@H](C)N1[C@H]2CC[C@@H]1CC([NH3+])C2 52143854 166213219 /nfs/dbraw/zinc/21/32/19/166213219.db2.gz FNHGWWKPRNPCID-UBJLHIIHSA-N 1 3 180.295 1.515 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 52143854 166213220 /nfs/dbraw/zinc/21/32/20/166213220.db2.gz FNHGWWKPRNPCID-UBJLHIIHSA-N 1 3 180.295 1.515 10 30 ADEEHO C=C[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 52143854 166213221 /nfs/dbraw/zinc/21/32/21/166213221.db2.gz FNHGWWKPRNPCID-UBJLHIIHSA-N 1 3 180.295 1.515 10 30 ADEEHO C=C[C@@H](C)N(CC)C1CC[NH2+]CC1 52143810 166213228 /nfs/dbraw/zinc/21/32/28/166213228.db2.gz DDBXDWNKXFWFIA-SNVBAGLBSA-N 1 3 182.311 1.635 10 30 ADEEHO C=C[C@@H](C)[N@H+](C)C1CCNCC1 52143805 166213309 /nfs/dbraw/zinc/21/33/09/166213309.db2.gz DNBZMQAARWIQGJ-SECBINFHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@@H](C)[N@@H+](C)C1CCNCC1 52143805 166213310 /nfs/dbraw/zinc/21/33/10/166213310.db2.gz DNBZMQAARWIQGJ-SECBINFHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@H](C)[N@H+](C)C1CCNCC1 52143802 166216674 /nfs/dbraw/zinc/21/66/74/166216674.db2.gz DNBZMQAARWIQGJ-VIFPVBQESA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@H](C)[N@@H+](C)C1CCNCC1 52143802 166216675 /nfs/dbraw/zinc/21/66/75/166216675.db2.gz DNBZMQAARWIQGJ-VIFPVBQESA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@H](C)N1CCC[C@H](C[NH3+])C1 52143868 166216688 /nfs/dbraw/zinc/21/66/88/166216688.db2.gz AMHPPYXTPGYQGI-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@H](C)N1[C@H]2CC[C@@H]1CC([NH3+])C2 52143852 166217877 /nfs/dbraw/zinc/21/78/77/166217877.db2.gz FNHGWWKPRNPCID-OFLUOSHYSA-N 1 3 180.295 1.515 10 30 ADEEHO C=C[C@H](C)[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 52143852 166217878 /nfs/dbraw/zinc/21/78/78/166217878.db2.gz FNHGWWKPRNPCID-OFLUOSHYSA-N 1 3 180.295 1.515 10 30 ADEEHO C=C[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 52143852 166217879 /nfs/dbraw/zinc/21/78/79/166217879.db2.gz FNHGWWKPRNPCID-OFLUOSHYSA-N 1 3 180.295 1.515 10 30 ADEEHO C=C[C@H](C)N(CC)C1CC[NH2+]CC1 52143807 166217986 /nfs/dbraw/zinc/21/79/86/166217986.db2.gz DDBXDWNKXFWFIA-JTQLQIEISA-N 1 3 182.311 1.635 10 30 ADEEHO C[N+](=O)c1ccc2c(c1)[C@@H](N)CCO2 95760881 166226153 /nfs/dbraw/zinc/22/61/53/166226153.db2.gz KZZXRQGLPQLSPE-VIFPVBQESA-N 1 3 192.218 1.311 10 30 ADEEHO C[N+](=O)c1ccc2c(c1)[C@H](N)CCO2 95760880 166226337 /nfs/dbraw/zinc/22/63/37/166226337.db2.gz KZZXRQGLPQLSPE-SECBINFHSA-N 1 3 192.218 1.311 10 30 ADEEHO CC[N@@H+]1CCC[C@H]1CNCCCC#N 20054300 167209116 /nfs/dbraw/zinc/20/91/16/167209116.db2.gz JRDNECFBVNERDJ-NSHDSACASA-N 1 3 195.310 1.364 10 30 ADEEHO CC[N@H+]1CCC[C@H]1CNCCCC#N 20054300 167209121 /nfs/dbraw/zinc/20/91/21/167209121.db2.gz JRDNECFBVNERDJ-NSHDSACASA-N 1 3 195.310 1.364 10 30 ADEEHO CC[N@@H+]1CCC[C@@H]1CNCCCC#N 20054298 167209141 /nfs/dbraw/zinc/20/91/41/167209141.db2.gz JRDNECFBVNERDJ-LLVKDONJSA-N 1 3 195.310 1.364 10 30 ADEEHO CC[N@H+]1CCC[C@@H]1CNCCCC#N 20054298 167209143 /nfs/dbraw/zinc/20/91/43/167209143.db2.gz JRDNECFBVNERDJ-LLVKDONJSA-N 1 3 195.310 1.364 10 30 ADEEHO C[C@@H](C#N)CNCCCC[NH+](C)C 45697738 168320679 /nfs/dbraw/zinc/32/06/79/168320679.db2.gz PEVYRQWNFVAVKN-JTQLQIEISA-N 1 3 183.299 1.077 10 30 ADEEHO C[C@@H](CC#N)NCC1CC[NH+](C)CC1 44518227 168333351 /nfs/dbraw/zinc/33/33/51/168333351.db2.gz SKUUUCNJVHPFPC-JTQLQIEISA-N 1 3 195.310 1.220 10 30 ADEEHO C[C@@H](CC#N)NCCCC[NH+](C)C 45697953 168333411 /nfs/dbraw/zinc/33/34/11/168333411.db2.gz DWYYUOMLNYYLON-JTQLQIEISA-N 1 3 183.299 1.220 10 30 ADEEHO C[C@@H](CC[NH+](C)C)NCCCC#N 49557699 168337975 /nfs/dbraw/zinc/33/79/75/168337975.db2.gz DBQFVJCNIKXBCH-JTQLQIEISA-N 1 3 183.299 1.220 10 30 ADEEHO C=CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 142500736 344012932 /nfs/dbraw/zinc/01/29/32/344012932.db2.gz UUAFPHRMWJJKRF-VXGBXAGGSA-N 1 3 194.322 1.636 10 30 ADEEHO N#CCCCCN1CCC([NH3+])CC1 36754094 171022937 /nfs/dbraw/zinc/02/29/37/171022937.db2.gz FTUITIWBGUJBSL-UHFFFAOYSA-N 1 3 181.283 1.103 10 30 ADEEHO C#CCCN(CC)C1CC[NH2+]CC1 37469524 171032301 /nfs/dbraw/zinc/03/23/01/171032301.db2.gz PVNNZKOPGCVCKU-UHFFFAOYSA-N 1 3 180.295 1.084 10 30 ADEEHO N#CCCCN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750341 171135381 /nfs/dbraw/zinc/13/53/81/171135381.db2.gz JTTAIIUGCVDCRZ-FGWVZKOKSA-N 1 3 193.294 1.244 10 30 ADEEHO N#CCCCCN1CCC[C@@H](C[NH3+])C1 44531169 171152785 /nfs/dbraw/zinc/15/27/85/171152785.db2.gz VGXRARPFHIZMGC-NSHDSACASA-N 1 3 195.310 1.351 10 30 ADEEHO N#CCCCCN1CCC[C@H](C[NH3+])C1 44531167 171152930 /nfs/dbraw/zinc/15/29/30/171152930.db2.gz VGXRARPFHIZMGC-LLVKDONJSA-N 1 3 195.310 1.351 10 30 ADEEHO CC#CC[NH2+]CC(C)(C)CN(C)C 51662865 171159431 /nfs/dbraw/zinc/15/94/31/171159431.db2.gz HWIHSLMREYXSRH-UHFFFAOYSA-N 1 3 182.311 1.187 10 30 ADEEHO CC#CC[NH2+]C[C@@H]1CCN(C2CC2)C1 51663311 171159484 /nfs/dbraw/zinc/15/94/84/171159484.db2.gz LLVHKDIYNXCMML-NSHDSACASA-N 1 3 192.306 1.084 10 30 ADEEHO CC#CC[N@@H+](CCC)C1CCNCC1 51664449 171159635 /nfs/dbraw/zinc/15/96/35/171159635.db2.gz DNALXUXWQSNUJS-UHFFFAOYSA-N 1 3 194.322 1.474 10 30 ADEEHO CC#CC[N@H+](CCC)C1CCNCC1 51664449 171159636 /nfs/dbraw/zinc/15/96/36/171159636.db2.gz DNALXUXWQSNUJS-UHFFFAOYSA-N 1 3 194.322 1.474 10 30 ADEEHO CC#CC[NH2+]C[C@H]1CCN(C2CC2)C1 51663313 171193290 /nfs/dbraw/zinc/19/32/90/171193290.db2.gz LLVHKDIYNXCMML-LLVKDONJSA-N 1 3 192.306 1.084 10 30 ADEEHO CC#CCCN1CC[C@H]([NH3+])C[C@@H]1C 165147459 344258969 /nfs/dbraw/zinc/25/89/69/344258969.db2.gz DMCGREIIFAYUDJ-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO CC#CCCN1CC[C@@H]([NH3+])C[C@@H]1C 165147595 344259040 /nfs/dbraw/zinc/25/90/40/344259040.db2.gz DMCGREIIFAYUDJ-WDEREUQCSA-N 1 3 180.295 1.211 10 30 ADEEHO CC#CCCN1CC[C@@H]([NH3+])[C@H](C)C1 165147321 344259054 /nfs/dbraw/zinc/25/90/54/344259054.db2.gz BILRRIPCXZKRLS-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C=C(C)C[N@@H+]1CCCNC(C)(C)C1 167688603 344311698 /nfs/dbraw/zinc/31/16/98/344311698.db2.gz HLABTOOUDYXZAY-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=C(C)C[N@H+]1CCCNC(C)(C)C1 167688603 344311699 /nfs/dbraw/zinc/31/16/99/344311699.db2.gz HLABTOOUDYXZAY-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO CC#CC[NH2+][C@H]1CCCN(CC)CC1 167703764 344312091 /nfs/dbraw/zinc/31/20/91/344312091.db2.gz XRUYGRSIUZYRNB-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO C=C(C)CN1CC[C@@H]([NH3+])C[C@H]1C 168954398 344340936 /nfs/dbraw/zinc/34/09/36/344340936.db2.gz KUEVVBPQYOJQOC-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(CC)CN1CC[C@@H]([NH3+])C[C@@H]1C 168977960 344341606 /nfs/dbraw/zinc/34/16/06/344341606.db2.gz CXFMZFAJOXCDLM-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H](C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 224882894 344474056 /nfs/dbraw/zinc/47/40/56/344474056.db2.gz ZSIQSTCTYCOAFZ-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)N1CCC[C@H]([C@H](C)[NH3+])C1 226927043 344517476 /nfs/dbraw/zinc/51/74/76/344517476.db2.gz ZSIQSTCTYCOAFZ-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 228597104 344564556 /nfs/dbraw/zinc/56/45/56/344564556.db2.gz QNWGGRDJKHFQMW-GARJFASQSA-N 1 3 180.295 1.102 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 229815832 344616976 /nfs/dbraw/zinc/61/69/76/344616976.db2.gz XQNIJOGTVXJANW-SRVKXCTJSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](N)[C@@H](C)[C@@H]1C 229815832 344616977 /nfs/dbraw/zinc/61/69/77/344616977.db2.gz XQNIJOGTVXJANW-SRVKXCTJSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 229815832 344616978 /nfs/dbraw/zinc/61/69/78/344616978.db2.gz XQNIJOGTVXJANW-SRVKXCTJSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](CCC)N1CC[C@@H]([NH3+])[C@@H](C)C1 229862938 344618557 /nfs/dbraw/zinc/61/85/57/344618557.db2.gz BZQDDZCQKPWOHY-QJPTWQEYSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCN(C)[C@@H]1CCCC[C@H]1C[NH3+] 250373548 344832880 /nfs/dbraw/zinc/83/28/80/344832880.db2.gz HVYUEJYVHCCYFO-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](C)[C@H](N)C1 252774769 344913396 /nfs/dbraw/zinc/91/33/96/344913396.db2.gz WVRHPIIVRUEUTO-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](C)[C@H](N)C1 252774769 344913398 /nfs/dbraw/zinc/91/33/98/344913398.db2.gz WVRHPIIVRUEUTO-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCCN1CC[C@@H]([NH3+])C[C@H]1C 252824589 344915256 /nfs/dbraw/zinc/91/52/56/344915256.db2.gz DMCGREIIFAYUDJ-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO CC#CCC[N@@H+]1C[C@H](CN)C[C@H]1C 252835457 344915444 /nfs/dbraw/zinc/91/54/44/344915444.db2.gz UUBORPURZBXTQY-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCC[N@H+]1C[C@H](CN)C[C@H]1C 252835457 344915445 /nfs/dbraw/zinc/91/54/45/344915445.db2.gz UUBORPURZBXTQY-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCCN1C[C@H](C[NH3+])C[C@H]1C 252835457 344915446 /nfs/dbraw/zinc/91/54/46/344915446.db2.gz UUBORPURZBXTQY-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#CC[C@H](C)N1CC[C@@H]([NH3+])C[C@H]1C 252967360 344922912 /nfs/dbraw/zinc/92/29/12/344922912.db2.gz YAKXTKIDKVUKOO-HBNTYKKESA-N 1 3 180.295 1.210 10 30 ADEEHO C#CC[C@H](C)N1CC[C@H]([NH3+])C[C@H]1C 252967357 344922948 /nfs/dbraw/zinc/92/29/48/344922948.db2.gz YAKXTKIDKVUKOO-AXFHLTTASA-N 1 3 180.295 1.210 10 30 ADEEHO CC#CCCN1C[C@H](C[NH3+])CC[C@H]1C 252825252 344915483 /nfs/dbraw/zinc/91/54/83/344915483.db2.gz FKIHCCBUKLMSJI-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@@H](C)[C@H](C)C1 299964700 344961544 /nfs/dbraw/zinc/96/15/44/344961544.db2.gz GNRCUQUSZJKRSX-GHMZBOCLSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C[NH3+])CN1CCC[C@@H](C)[C@H]1C 299965673 344961610 /nfs/dbraw/zinc/96/16/10/344961610.db2.gz MDDATKHSLZQUKC-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 300399865 344981983 /nfs/dbraw/zinc/98/19/83/344981983.db2.gz XQNIJOGTVXJANW-WOPDTQHZSA-N 1 3 194.322 1.457 10 30 ADEEHO C=C[C@H](C)N1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306325496 345202862 /nfs/dbraw/zinc/20/28/62/345202862.db2.gz HKQPIYQYQAKFBX-UKKRHICBSA-N 1 3 180.295 1.230 10 30 ADEEHO C=C[C@H](C)N1C[C@H]2C[N@H+](C)C[C@H]2C1 306465261 345326305 /nfs/dbraw/zinc/32/63/05/345326305.db2.gz BBDKFTGFZAVMMD-GARJFASQSA-N 1 3 180.295 1.054 10 30 ADEEHO C=C[C@H](C)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 306465261 345326306 /nfs/dbraw/zinc/32/63/06/345326306.db2.gz BBDKFTGFZAVMMD-GARJFASQSA-N 1 3 180.295 1.054 10 30 ADEEHO C#C[C@@](C)(CC)[N@@H+]1CCCNCC1 306681565 345543546 /nfs/dbraw/zinc/54/35/46/345543546.db2.gz OHWJAEKIFKOFNG-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO C=C(C)C[NH2+][C@H]1CCNC[C@@H]1C 307030173 345765854 /nfs/dbraw/zinc/76/58/54/345765854.db2.gz NIBUUDODKKFSBL-UWVGGRQHSA-N 1 3 168.284 1.150 10 30 ADEEHO C=C(CC)CN1CC[C@@]2(CC[NH2+]C2)C1 307050654 345779117 /nfs/dbraw/zinc/77/91/17/345779117.db2.gz ROKYCROOVNYPGB-GFCCVEGCSA-N 1 3 194.322 1.638 10 30 ADEEHO C=C[C@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 307076025 345795722 /nfs/dbraw/zinc/79/57/22/345795722.db2.gz KVMMTRDZPRLZKN-UWVGGRQHSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 307169570 345862311 /nfs/dbraw/zinc/86/23/11/345862311.db2.gz YQEMQRULJOFAJF-VWYCJHECSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 307143644 345837129 /nfs/dbraw/zinc/83/71/29/345837129.db2.gz FPCORGBXKTUEBO-MNOVXSKESA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](C)[C@](C)(CN)C1 307143646 345837179 /nfs/dbraw/zinc/83/71/79/345837179.db2.gz FPCORGBXKTUEBO-WDEREUQCSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](C)[C@](C)(CN)C1 307143646 345837180 /nfs/dbraw/zinc/83/71/80/345837180.db2.gz FPCORGBXKTUEBO-WDEREUQCSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 307570420 346119541 /nfs/dbraw/zinc/11/95/41/346119541.db2.gz ZXVTVMVRYYANKM-OPRDCNLKSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 307606837 346142880 /nfs/dbraw/zinc/14/28/80/346142880.db2.gz AKDLGNPWMVDFOB-SDDRHHMPSA-N 1 3 194.322 1.622 10 30 ADEEHO C=CCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 631842390 347390517 /nfs/dbraw/zinc/39/05/17/347390517.db2.gz ZSYJRORJGZEZKN-ZJUUUORDSA-N 1 3 168.284 1.089 10 30 ADEEHO C=C(C)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 334361172 352066100 /nfs/dbraw/zinc/06/61/00/352066100.db2.gz BPXBNIFNIRBIQE-RYUDHWBXSA-N 1 3 196.338 1.977 10 30 ADEEHO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 336119314 352126366 /nfs/dbraw/zinc/12/63/66/352126366.db2.gz BQQGUMCSCLZLSB-GFCCVEGCSA-N 1 3 196.338 1.979 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](N)CC[C@H]1C 575481398 352311195 /nfs/dbraw/zinc/31/11/95/352311195.db2.gz OHTIRIWTOSJLSH-IVZWLZJFSA-N 1 3 168.284 1.373 10 30 ADEEHO C=CC[N@H+]1CCCCC[C@H](N)C1 575545752 352622728 /nfs/dbraw/zinc/62/27/28/352622728.db2.gz JHBTVZXKVWLWNV-JTQLQIEISA-N 1 3 168.284 1.376 10 30 ADEEHO C=CC[N@@H+]1CCCCC[C@H](N)C1 575545752 352622729 /nfs/dbraw/zinc/62/27/29/352622729.db2.gz JHBTVZXKVWLWNV-JTQLQIEISA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 36907454 343153695 /nfs/dbraw/zinc/15/36/95/343153695.db2.gz CBISDCSITNQKOX-OUAUKWLOSA-N 1 3 182.311 1.491 10 30 ADEEHO C=CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C 36907454 343153698 /nfs/dbraw/zinc/15/36/98/343153698.db2.gz CBISDCSITNQKOX-OUAUKWLOSA-N 1 3 182.311 1.491 10 30 ADEEHO C=CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C 36907453 343153747 /nfs/dbraw/zinc/15/37/47/343153747.db2.gz CBISDCSITNQKOX-GMTAPVOTSA-N 1 3 182.311 1.491 10 30 ADEEHO C=CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C 36907453 343153749 /nfs/dbraw/zinc/15/37/49/343153749.db2.gz CBISDCSITNQKOX-GMTAPVOTSA-N 1 3 182.311 1.491 10 30 ADEEHO CN(C)Cc1ccc(C#CC[NH3+])s1 43683569 343258740 /nfs/dbraw/zinc/25/87/40/343258740.db2.gz YOAAXCXSRJDXJC-UHFFFAOYSA-N 1 3 194.303 1.120 10 30 ADEEHO CN(C)Cc1sccc1C#CC[NH3+] 43683570 343258849 /nfs/dbraw/zinc/25/88/49/343258849.db2.gz JYIUSYAGRPNKAR-UHFFFAOYSA-N 1 3 194.303 1.120 10 30 ADEEHO C=CCN[C@H]1CCC[C@H]([NH3+])C1 60183044 343351560 /nfs/dbraw/zinc/35/15/60/343351560.db2.gz XBVIGYXDDLMROL-IUCAKERBSA-N 1 3 154.257 1.032 10 30 ADEEHO C=CCN[C@H]1CCC[C@@H]([NH3+])C1 60183048 343351571 /nfs/dbraw/zinc/35/15/71/343351571.db2.gz XBVIGYXDDLMROL-BDAKNGLRSA-N 1 3 154.257 1.032 10 30 ADEEHO C=CCN[C@@H]1CCC[C@@H]([NH3+])C1 60183045 343351659 /nfs/dbraw/zinc/35/16/59/343351659.db2.gz XBVIGYXDDLMROL-RKDXNWHRSA-N 1 3 154.257 1.032 10 30 ADEEHO C=CCN[C@@H]1CCC[C@H]([NH3+])C1 60183043 343351665 /nfs/dbraw/zinc/35/16/65/343351665.db2.gz XBVIGYXDDLMROL-DTWKUNHWSA-N 1 3 154.257 1.032 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@@H]1[C@@H](C)N 63195757 343405253 /nfs/dbraw/zinc/40/52/53/343405253.db2.gz KISMRJGLNLUKGJ-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)N 63195757 343405255 /nfs/dbraw/zinc/40/52/55/343405255.db2.gz KISMRJGLNLUKGJ-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO C=C(C)C[N@H+]1CCCC[C@H]1[C@@H](C)N 63195771 343405272 /nfs/dbraw/zinc/40/52/72/343405272.db2.gz AUZKBFHIVKTVJG-MNOVXSKESA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(C)C[N@@H+]1CCCC[C@H]1[C@@H](C)N 63195771 343405274 /nfs/dbraw/zinc/40/52/74/343405274.db2.gz AUZKBFHIVKTVJG-MNOVXSKESA-N 1 3 182.311 1.764 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@H]1[C@@H](C)N 63195755 343405485 /nfs/dbraw/zinc/40/54/85/343405485.db2.gz KISMRJGLNLUKGJ-MNOVXSKESA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@H]1[C@@H](C)N 63195755 343405487 /nfs/dbraw/zinc/40/54/87/343405487.db2.gz KISMRJGLNLUKGJ-MNOVXSKESA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@H]1[C@H](C)N 63195754 343405524 /nfs/dbraw/zinc/40/55/24/343405524.db2.gz KISMRJGLNLUKGJ-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@H]1[C@H](C)N 63195754 343405526 /nfs/dbraw/zinc/40/55/26/343405526.db2.gz KISMRJGLNLUKGJ-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO C=C(C)C[N@@H+]1CCCC[C@H]1[C@H](C)N 63195770 343405573 /nfs/dbraw/zinc/40/55/73/343405573.db2.gz AUZKBFHIVKTVJG-QWRGUYRKSA-N 1 3 182.311 1.764 10 30 ADEEHO C#CCC[N@H+]1CCCC[C@@H]1[C@H](C)N 63195756 343405732 /nfs/dbraw/zinc/40/57/32/343405732.db2.gz KISMRJGLNLUKGJ-WDEREUQCSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@@H+]1CCCC[C@@H]1[C@H](C)N 63195756 343405735 /nfs/dbraw/zinc/40/57/35/343405735.db2.gz KISMRJGLNLUKGJ-WDEREUQCSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCN1CCC([C@H]2CCC[NH2+]2)CC1 63200120 343405897 /nfs/dbraw/zinc/40/58/97/343405897.db2.gz CVUYQDVFIVNBAV-GFCCVEGCSA-N 1 3 192.306 1.084 10 30 ADEEHO C#CCN1CCC([C@@H]2CCC[NH2+]2)CC1 63200118 343405939 /nfs/dbraw/zinc/40/59/39/343405939.db2.gz CVUYQDVFIVNBAV-LBPRGKRZSA-N 1 3 192.306 1.084 10 30 ADEEHO C=C(C)C[N@H+]1CCCC[C@@H]1[C@H](C)N 63195772 343406002 /nfs/dbraw/zinc/40/60/02/343406002.db2.gz AUZKBFHIVKTVJG-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@H](C)N 63195772 343406003 /nfs/dbraw/zinc/40/60/03/343406003.db2.gz AUZKBFHIVKTVJG-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(C)C[N@H+]1CCCC[C@@H]1[C@@H](C)N 63195773 343406247 /nfs/dbraw/zinc/40/62/47/343406247.db2.gz AUZKBFHIVKTVJG-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@@H](C)N 63195773 343406249 /nfs/dbraw/zinc/40/62/49/343406249.db2.gz AUZKBFHIVKTVJG-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(C)CN1CCC[C@H]([C@@H](C)[NH3+])C1 69626838 343427406 /nfs/dbraw/zinc/42/74/06/343427406.db2.gz PVRWICANEVGJSH-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN1CCC[C@@H]([C@H](C)[NH3+])C1 69626829 343427481 /nfs/dbraw/zinc/42/74/81/343427481.db2.gz PVRWICANEVGJSH-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 69626833 343427538 /nfs/dbraw/zinc/42/75/38/343427538.db2.gz PVRWICANEVGJSH-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@H](C)N1CCC[C@H]([C@@H](C)[NH3+])C1 69626883 343427728 /nfs/dbraw/zinc/42/77/28/343427728.db2.gz ZSIQSTCTYCOAFZ-AXFHLTTASA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)CN1CCC[C@H]([C@H](C)[NH3+])C1 69626834 343427753 /nfs/dbraw/zinc/42/77/53/343427753.db2.gz PVRWICANEVGJSH-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C#CC(C)(C)[NH2+]CC1CCN(C)CC1 69678459 343432218 /nfs/dbraw/zinc/43/22/18/343432218.db2.gz GUAMSAPRBJLVDP-UHFFFAOYSA-N 1 3 194.322 1.330 10 30 ADEEHO C#CC(C)(C)N1CC[C@H]([NH3+])[C@H](C)C1 69682028 343433228 /nfs/dbraw/zinc/43/32/28/343433228.db2.gz XOTAMFCWGZZFCG-ZJUUUORDSA-N 1 3 180.295 1.067 10 30 ADEEHO C#CC(C)(C)N1CC[C@H]([NH3+])[C@@H](C)C1 69682034 343433295 /nfs/dbraw/zinc/43/32/95/343433295.db2.gz XOTAMFCWGZZFCG-UWVGGRQHSA-N 1 3 180.295 1.067 10 30 ADEEHO C#CC(C)(C)N1CC[C@H]([NH3+])C[C@@H]1C 69682005 343433334 /nfs/dbraw/zinc/43/33/34/343433334.db2.gz SFDIPKSEUMWCQT-UWVGGRQHSA-N 1 3 180.295 1.210 10 30 ADEEHO C#CC(C)(C)N1CC[C@@H]([NH3+])C[C@@H]1C 69682001 343433368 /nfs/dbraw/zinc/43/33/68/343433368.db2.gz SFDIPKSEUMWCQT-VHSXEESVSA-N 1 3 180.295 1.210 10 30 ADEEHO C#CC(C)(C)N1CC[C@H]([NH3+])C[C@H]1C 69682004 343433388 /nfs/dbraw/zinc/43/33/88/343433388.db2.gz SFDIPKSEUMWCQT-ZJUUUORDSA-N 1 3 180.295 1.210 10 30 ADEEHO C=C[C@H](C)N1C[C@@H](C[NH3+])CC[C@H]1C 69729475 343438051 /nfs/dbraw/zinc/43/80/51/343438051.db2.gz UQNCASIKJGZRNW-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H](CN)CC[C@H]1C 69729475 343438052 /nfs/dbraw/zinc/43/80/52/343438052.db2.gz UQNCASIKJGZRNW-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H](CN)CC[C@H]1C 69729475 343438056 /nfs/dbraw/zinc/43/80/56/343438056.db2.gz UQNCASIKJGZRNW-HBNTYKKESA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)N1C[C@H](C[NH3+])CC[C@@H]1C 69729482 343438213 /nfs/dbraw/zinc/43/82/13/343438213.db2.gz UQNCASIKJGZRNW-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](CN)CC[C@@H]1C 69729482 343438215 /nfs/dbraw/zinc/43/82/15/343438215.db2.gz UQNCASIKJGZRNW-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](CN)CC[C@@H]1C 69729482 343438216 /nfs/dbraw/zinc/43/82/16/343438216.db2.gz UQNCASIKJGZRNW-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)CN1C[C@H](C[NH3+])CC[C@@H]1C 69729380 343438231 /nfs/dbraw/zinc/43/82/31/343438231.db2.gz FPWHCDAMZVGWEM-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](CN)CC[C@@H]1C 69729380 343438233 /nfs/dbraw/zinc/43/82/33/343438233.db2.gz FPWHCDAMZVGWEM-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](CN)CC[C@@H]1C 69729380 343438236 /nfs/dbraw/zinc/43/82/36/343438236.db2.gz FPWHCDAMZVGWEM-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN1C[C@H](C[NH3+])CC[C@H]1C 69729378 343438250 /nfs/dbraw/zinc/43/82/50/343438250.db2.gz FPWHCDAMZVGWEM-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](CN)CC[C@H]1C 69729378 343438252 /nfs/dbraw/zinc/43/82/52/343438252.db2.gz FPWHCDAMZVGWEM-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](CN)CC[C@H]1C 69729378 343438256 /nfs/dbraw/zinc/43/82/56/343438256.db2.gz FPWHCDAMZVGWEM-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@H](C)N1C[C@@H](C[NH3+])CC[C@@H]1C 69729476 343438281 /nfs/dbraw/zinc/43/82/81/343438281.db2.gz UQNCASIKJGZRNW-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H](CN)CC[C@@H]1C 69729476 343438284 /nfs/dbraw/zinc/43/82/84/343438284.db2.gz UQNCASIKJGZRNW-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H](CN)CC[C@@H]1C 69729476 343438286 /nfs/dbraw/zinc/43/82/86/343438286.db2.gz UQNCASIKJGZRNW-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)CN1C[C@@H](C[NH3+])CC[C@@H]1C 69729375 343438429 /nfs/dbraw/zinc/43/84/29/343438429.db2.gz FPWHCDAMZVGWEM-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H](CN)CC[C@@H]1C 69729375 343438432 /nfs/dbraw/zinc/43/84/32/343438432.db2.gz FPWHCDAMZVGWEM-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H](CN)CC[C@@H]1C 69729375 343438434 /nfs/dbraw/zinc/43/84/34/343438434.db2.gz FPWHCDAMZVGWEM-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@H](C)N1C[C@H](C[NH3+])CC[C@H]1C 69729479 343438531 /nfs/dbraw/zinc/43/85/31/343438531.db2.gz UQNCASIKJGZRNW-AXFHLTTASA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](CN)CC[C@H]1C 69729479 343438534 /nfs/dbraw/zinc/43/85/34/343438534.db2.gz UQNCASIKJGZRNW-AXFHLTTASA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](CN)CC[C@H]1C 69729479 343438536 /nfs/dbraw/zinc/43/85/36/343438536.db2.gz UQNCASIKJGZRNW-AXFHLTTASA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)CN1C[C@@H](C[NH3+])CC[C@H]1C 69729372 343438579 /nfs/dbraw/zinc/43/85/79/343438579.db2.gz FPWHCDAMZVGWEM-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H](CN)CC[C@H]1C 69729372 343438581 /nfs/dbraw/zinc/43/85/81/343438581.db2.gz FPWHCDAMZVGWEM-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H](CN)CC[C@H]1C 69729372 343438582 /nfs/dbraw/zinc/43/85/82/343438582.db2.gz FPWHCDAMZVGWEM-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCCNC1C[C@@H]2CC[C@H](C1)[N@@H+]2C 69767977 343440549 /nfs/dbraw/zinc/44/05/49/343440549.db2.gz LNDJBQRNOXIWTR-YOGCLGLASA-N 1 3 192.306 1.225 10 30 ADEEHO C#CCCNC1C[C@@H]2CC[C@H](C1)[N@H+]2C 69767977 343440551 /nfs/dbraw/zinc/44/05/51/343440551.db2.gz LNDJBQRNOXIWTR-YOGCLGLASA-N 1 3 192.306 1.225 10 30 ADEEHO C=CCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 70593351 343499474 /nfs/dbraw/zinc/49/94/74/343499474.db2.gz JNHYRIYLMVPAPO-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 70593351 343499476 /nfs/dbraw/zinc/49/94/76/343499476.db2.gz JNHYRIYLMVPAPO-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@H+]1CC[C@H](C)[C@@H](N)C1 70593352 343499652 /nfs/dbraw/zinc/49/96/52/343499652.db2.gz JNHYRIYLMVPAPO-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@@H+]1CC[C@H](C)[C@@H](N)C1 70593352 343499654 /nfs/dbraw/zinc/49/96/54/343499654.db2.gz JNHYRIYLMVPAPO-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](CN)C[C@@H]1C 126905378 343799501 /nfs/dbraw/zinc/79/95/01/343799501.db2.gz YJTRDMMIIJYMOZ-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](CN)C[C@@H]1C 126905378 343799503 /nfs/dbraw/zinc/79/95/03/343799503.db2.gz YJTRDMMIIJYMOZ-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN1C[C@H](C[NH3+])C[C@@H]1C 126905378 343799506 /nfs/dbraw/zinc/79/95/06/343799506.db2.gz YJTRDMMIIJYMOZ-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H](CN)C[C@H]1C 126904683 343799868 /nfs/dbraw/zinc/79/98/68/343799868.db2.gz YJTRDMMIIJYMOZ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H](CN)C[C@H]1C 126904683 343799869 /nfs/dbraw/zinc/79/98/69/343799869.db2.gz YJTRDMMIIJYMOZ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN1C[C@@H](C[NH3+])C[C@H]1C 126904683 343799870 /nfs/dbraw/zinc/79/98/70/343799870.db2.gz YJTRDMMIIJYMOZ-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](CN)C[C@H]1C 126905158 343799887 /nfs/dbraw/zinc/79/98/87/343799887.db2.gz YJTRDMMIIJYMOZ-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](CN)C[C@H]1C 126905158 343799888 /nfs/dbraw/zinc/79/98/88/343799888.db2.gz YJTRDMMIIJYMOZ-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN1C[C@H](C[NH3+])C[C@H]1C 126905158 343799889 /nfs/dbraw/zinc/79/98/89/343799889.db2.gz YJTRDMMIIJYMOZ-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](CN)C[C@H]1C 126922759 343800154 /nfs/dbraw/zinc/80/01/54/343800154.db2.gz OUQRZKJKNFKGJQ-AEJSXWLSSA-N 1 3 168.284 1.230 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](CN)C[C@H]1C 126922759 343800157 /nfs/dbraw/zinc/80/01/57/343800157.db2.gz OUQRZKJKNFKGJQ-AEJSXWLSSA-N 1 3 168.284 1.230 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H](CN)C[C@@H]1C 126922567 343800370 /nfs/dbraw/zinc/80/03/70/343800370.db2.gz OUQRZKJKNFKGJQ-LPEHRKFASA-N 1 3 168.284 1.230 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H](CN)C[C@@H]1C 126922567 343800372 /nfs/dbraw/zinc/80/03/72/343800372.db2.gz OUQRZKJKNFKGJQ-LPEHRKFASA-N 1 3 168.284 1.230 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H](CN)C[C@H]1C 126922363 343800439 /nfs/dbraw/zinc/80/04/39/343800439.db2.gz OUQRZKJKNFKGJQ-IVZWLZJFSA-N 1 3 168.284 1.230 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H](CN)C[C@H]1C 126922363 343800441 /nfs/dbraw/zinc/80/04/41/343800441.db2.gz OUQRZKJKNFKGJQ-IVZWLZJFSA-N 1 3 168.284 1.230 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](CN)C[C@@H]1C 126922979 343800449 /nfs/dbraw/zinc/80/04/49/343800449.db2.gz OUQRZKJKNFKGJQ-GUBZILKMSA-N 1 3 168.284 1.230 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](CN)C[C@@H]1C 126922979 343800450 /nfs/dbraw/zinc/80/04/50/343800450.db2.gz OUQRZKJKNFKGJQ-GUBZILKMSA-N 1 3 168.284 1.230 10 30 ADEEHO C=CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 142500935 344012906 /nfs/dbraw/zinc/01/29/06/344012906.db2.gz UUAFPHRMWJJKRF-NEPJUHHUSA-N 1 3 194.322 1.636 10 30 ADEEHO C=CCN[C@H]1CC[N@H+](C)[C@H](C)C1 155775781 344080095 /nfs/dbraw/zinc/08/00/95/344080095.db2.gz NCIUZVLHWMOGSL-ZJUUUORDSA-N 1 3 168.284 1.245 10 30 ADEEHO C=CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 155775781 344080098 /nfs/dbraw/zinc/08/00/98/344080098.db2.gz NCIUZVLHWMOGSL-ZJUUUORDSA-N 1 3 168.284 1.245 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 155775689 344080188 /nfs/dbraw/zinc/08/01/88/344080188.db2.gz NCIUZVLHWMOGSL-VHSXEESVSA-N 1 3 168.284 1.245 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 155775689 344080190 /nfs/dbraw/zinc/08/01/90/344080190.db2.gz NCIUZVLHWMOGSL-VHSXEESVSA-N 1 3 168.284 1.245 10 30 ADEEHO C=CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 155775860 344080364 /nfs/dbraw/zinc/08/03/64/344080364.db2.gz NCIUZVLHWMOGSL-UWVGGRQHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 155775860 344080365 /nfs/dbraw/zinc/08/03/65/344080365.db2.gz NCIUZVLHWMOGSL-UWVGGRQHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 155775598 344080520 /nfs/dbraw/zinc/08/05/20/344080520.db2.gz NCIUZVLHWMOGSL-NXEZZACHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 155775598 344080521 /nfs/dbraw/zinc/08/05/21/344080521.db2.gz NCIUZVLHWMOGSL-NXEZZACHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C(C)CN1CC[C@H]([C@@H](C)[NH3+])C1 157391200 344104807 /nfs/dbraw/zinc/10/48/07/344104807.db2.gz SREBYTXSAJVIMF-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN1CC[C@@H]([C@@H](C)[NH3+])C1 157390916 344105214 /nfs/dbraw/zinc/10/52/14/344105214.db2.gz SREBYTXSAJVIMF-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN1CC[C@H]([C@H](C)[NH3+])C1 157391068 344105283 /nfs/dbraw/zinc/10/52/83/344105283.db2.gz SREBYTXSAJVIMF-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN1CC[C@@H]([C@H](C)[NH3+])C1 157390782 344105293 /nfs/dbraw/zinc/10/52/93/344105293.db2.gz SREBYTXSAJVIMF-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO CC#CCCN1C[C@H](C[NH3+])CC[C@@H]1C 161439434 344191497 /nfs/dbraw/zinc/19/14/97/344191497.db2.gz FKIHCCBUKLMSJI-RYUDHWBXSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCC[N@@H+]1C[C@H](CN)CC[C@@H]1C 161439434 344191500 /nfs/dbraw/zinc/19/15/00/344191500.db2.gz FKIHCCBUKLMSJI-RYUDHWBXSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCC[N@H+]1C[C@H](CN)CC[C@@H]1C 161439434 344191501 /nfs/dbraw/zinc/19/15/01/344191501.db2.gz FKIHCCBUKLMSJI-RYUDHWBXSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCCN1C[C@@H](C[NH3+])CC[C@@H]1C 161439572 344191569 /nfs/dbraw/zinc/19/15/69/344191569.db2.gz FKIHCCBUKLMSJI-NWDGAFQWSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCC[N@@H+]1C[C@@H](CN)CC[C@@H]1C 161439572 344191572 /nfs/dbraw/zinc/19/15/72/344191572.db2.gz FKIHCCBUKLMSJI-NWDGAFQWSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCC[N@H+]1C[C@@H](CN)CC[C@@H]1C 161439572 344191573 /nfs/dbraw/zinc/19/15/73/344191573.db2.gz FKIHCCBUKLMSJI-NWDGAFQWSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CC[NH2+][C@@H](C)C1CCN(C)CC1 162012668 344202023 /nfs/dbraw/zinc/20/20/23/344202023.db2.gz PNEBCKMOAXUFKV-NSHDSACASA-N 1 3 194.322 1.330 10 30 ADEEHO CC#CC[NH2+][C@@H]1CCCN(C)CC1 162010458 344202036 /nfs/dbraw/zinc/20/20/36/344202036.db2.gz GEJIZHMJZMHKIU-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO CC#CC[NH2+][C@H]1CCCN(C)CC1 162010585 344202213 /nfs/dbraw/zinc/20/22/13/344202213.db2.gz GEJIZHMJZMHKIU-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO CC#CC[NH2+][C@H](C)C1CCN(C)CC1 162012805 344202238 /nfs/dbraw/zinc/20/22/38/344202238.db2.gz PNEBCKMOAXUFKV-LLVKDONJSA-N 1 3 194.322 1.330 10 30 ADEEHO C#CCCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 163188330 344220147 /nfs/dbraw/zinc/22/01/47/344220147.db2.gz WVRHPIIVRUEUTO-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 163188330 344220150 /nfs/dbraw/zinc/22/01/50/344220150.db2.gz WVRHPIIVRUEUTO-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCCN1CC[C@@H]([NH3+])C[C@@H]1C 163201570 344220170 /nfs/dbraw/zinc/22/01/70/344220170.db2.gz BYODGDLGLITGKF-WDEREUQCSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@H+]1CC[C@@H](N)C[C@@H]1C 163201570 344220174 /nfs/dbraw/zinc/22/01/74/344220174.db2.gz BYODGDLGLITGKF-WDEREUQCSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@@H](N)C[C@@H]1C 163201570 344220175 /nfs/dbraw/zinc/22/01/75/344220175.db2.gz BYODGDLGLITGKF-WDEREUQCSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCCN1CC[C@H]([NH3+])C[C@H]1C 163201685 344220300 /nfs/dbraw/zinc/22/03/00/344220300.db2.gz BYODGDLGLITGKF-MNOVXSKESA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](N)C[C@H]1C 163201685 344220302 /nfs/dbraw/zinc/22/03/02/344220302.db2.gz BYODGDLGLITGKF-MNOVXSKESA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](N)C[C@H]1C 163201685 344220304 /nfs/dbraw/zinc/22/03/04/344220304.db2.gz BYODGDLGLITGKF-MNOVXSKESA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](C)[C@@H](N)C1 163188444 344220379 /nfs/dbraw/zinc/22/03/79/344220379.db2.gz WVRHPIIVRUEUTO-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](C)[C@@H](N)C1 163188444 344220381 /nfs/dbraw/zinc/22/03/81/344220381.db2.gz WVRHPIIVRUEUTO-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCCN1CC[C@H]([NH3+])C[C@@H]1C 163201802 344220389 /nfs/dbraw/zinc/22/03/89/344220389.db2.gz BYODGDLGLITGKF-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](N)C[C@@H]1C 163201802 344220392 /nfs/dbraw/zinc/22/03/92/344220392.db2.gz BYODGDLGLITGKF-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](N)C[C@@H]1C 163201802 344220394 /nfs/dbraw/zinc/22/03/94/344220394.db2.gz BYODGDLGLITGKF-QWRGUYRKSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCCN1CC[C@@H]([NH3+])C[C@H]1C 163201479 344220496 /nfs/dbraw/zinc/22/04/96/344220496.db2.gz BYODGDLGLITGKF-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@H+]1CC[C@@H](N)C[C@H]1C 163201479 344220499 /nfs/dbraw/zinc/22/04/99/344220499.db2.gz BYODGDLGLITGKF-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@@H](N)C[C@H]1C 163201479 344220501 /nfs/dbraw/zinc/22/05/01/344220501.db2.gz BYODGDLGLITGKF-GHMZBOCLSA-N 1 3 180.295 1.211 10 30 ADEEHO CC#CCCN1CC[C@H]([NH3+])[C@H](C)C1 165147190 344258956 /nfs/dbraw/zinc/25/89/56/344258956.db2.gz BILRRIPCXZKRLS-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@H](C)N1CC[C@H]([NH3+])[C@H](C)[C@H]1C 166852188 344290651 /nfs/dbraw/zinc/29/06/51/344290651.db2.gz FJTOGJMLVYULQT-ZDCRXTMVSA-N 1 3 180.295 1.066 10 30 ADEEHO C#C[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 166852298 344290812 /nfs/dbraw/zinc/29/08/12/344290812.db2.gz FJTOGJMLVYULQT-MMWGEVLESA-N 1 3 180.295 1.066 10 30 ADEEHO C#C[C@H](C)N1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 166851981 344290862 /nfs/dbraw/zinc/29/08/62/344290862.db2.gz FJTOGJMLVYULQT-VLEAKVRGSA-N 1 3 180.295 1.066 10 30 ADEEHO C#C[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 166852082 344290911 /nfs/dbraw/zinc/29/09/11/344290911.db2.gz FJTOGJMLVYULQT-NAKRPEOUSA-N 1 3 180.295 1.066 10 30 ADEEHO C=C(C)CN[C@@H]1CC[C@@H]([NH3+])C1 167471449 344305863 /nfs/dbraw/zinc/30/58/63/344305863.db2.gz GOGYOCMBVZNTAT-RKDXNWHRSA-N 1 3 154.257 1.032 10 30 ADEEHO C=C(C)CN[C@H]1CC[C@H]([NH3+])C1 167471347 344305772 /nfs/dbraw/zinc/30/57/72/344305772.db2.gz GOGYOCMBVZNTAT-IUCAKERBSA-N 1 3 154.257 1.032 10 30 ADEEHO C=C(C)CN[C@H]1CC[C@@H]([NH3+])C1 167471559 344305821 /nfs/dbraw/zinc/30/58/21/344305821.db2.gz GOGYOCMBVZNTAT-BDAKNGLRSA-N 1 3 154.257 1.032 10 30 ADEEHO C=C(C)CN[C@@H]1CC[C@H]([NH3+])C1 167471229 344306004 /nfs/dbraw/zinc/30/60/04/344306004.db2.gz GOGYOCMBVZNTAT-DTWKUNHWSA-N 1 3 154.257 1.032 10 30 ADEEHO C=C(C)CN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 167609326 344309349 /nfs/dbraw/zinc/30/93/49/344309349.db2.gz NIXWZNHBAVVUSY-MXWKQRLJSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)CN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 167609117 344309368 /nfs/dbraw/zinc/30/93/68/344309368.db2.gz NIXWZNHBAVVUSY-VWYCJHECSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)CN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 167609218 344309399 /nfs/dbraw/zinc/30/93/99/344309399.db2.gz NIXWZNHBAVVUSY-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)CN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 167609446 344309447 /nfs/dbraw/zinc/30/94/47/344309447.db2.gz NIXWZNHBAVVUSY-AXFHLTTASA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)C[N@H+]1CCCN[C@H](C)C1 167687889 344311529 /nfs/dbraw/zinc/31/15/29/344311529.db2.gz GRHBTQHIHXKDJO-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C)C[N@@H+]1CCCN[C@H](C)C1 167687889 344311527 /nfs/dbraw/zinc/31/15/27/344311527.db2.gz GRHBTQHIHXKDJO-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C)C[N@@H+]1CCCN[C@@H](C)C1 167688002 344311671 /nfs/dbraw/zinc/31/16/71/344311671.db2.gz GRHBTQHIHXKDJO-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C)C[N@H+]1CCCN[C@@H](C)C1 167688002 344311672 /nfs/dbraw/zinc/31/16/72/344311672.db2.gz GRHBTQHIHXKDJO-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO CC#CC[NH2+][C@@H]1CCCN(CC)CC1 167703891 344312195 /nfs/dbraw/zinc/31/21/95/344312195.db2.gz XRUYGRSIUZYRNB-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C=C(C)CN1CC[C@H]([NH3+])C[C@H]1C 168954575 344341024 /nfs/dbraw/zinc/34/10/24/344341024.db2.gz KUEVVBPQYOJQOC-ZJUUUORDSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)CN1CC[C@H]([NH3+])C[C@@H]1C 168954665 344341073 /nfs/dbraw/zinc/34/10/73/344341073.db2.gz KUEVVBPQYOJQOC-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)CN1CC[C@@H]([NH3+])C[C@@H]1C 168954486 344341086 /nfs/dbraw/zinc/34/10/86/344341086.db2.gz KUEVVBPQYOJQOC-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(CC)CN1CC[C@H]([NH3+])C[C@@H]1C 168977857 344341488 /nfs/dbraw/zinc/34/14/88/344341488.db2.gz CXFMZFAJOXCDLM-QWRGUYRKSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H](C)N1CC[C@@H]([NH3+])C[C@H]1C 168984218 344341650 /nfs/dbraw/zinc/34/16/50/344341650.db2.gz LUTQHIBVPUVLNE-IVZWLZJFSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)N1CC[C@H]([NH3+])C[C@H]1C 168984375 344341985 /nfs/dbraw/zinc/34/19/85/344341985.db2.gz LUTQHIBVPUVLNE-AEJSXWLSSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)N1CC[C@H]([NH3+])C[C@@H]1C 168984460 344342109 /nfs/dbraw/zinc/34/21/09/344342109.db2.gz LUTQHIBVPUVLNE-GUBZILKMSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)N1CC[C@@H]([NH3+])C[C@@H]1C 168984304 344342154 /nfs/dbraw/zinc/34/21/54/344342154.db2.gz LUTQHIBVPUVLNE-LPEHRKFASA-N 1 3 168.284 1.373 10 30 ADEEHO C#CCCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 223353675 344460266 /nfs/dbraw/zinc/46/02/66/344460266.db2.gz IAIXZKSGWHXDRM-NEPJUHHUSA-N 1 3 192.306 1.226 10 30 ADEEHO C#CCCN[C@@H]1CC[N@H+]2CCCC[C@@H]12 223353675 344460268 /nfs/dbraw/zinc/46/02/68/344460268.db2.gz IAIXZKSGWHXDRM-NEPJUHHUSA-N 1 3 192.306 1.226 10 30 ADEEHO C#CCCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 223353732 344460306 /nfs/dbraw/zinc/46/03/06/344460306.db2.gz IAIXZKSGWHXDRM-RYUDHWBXSA-N 1 3 192.306 1.226 10 30 ADEEHO C#CCCN[C@H]1CC[N@H+]2CCCC[C@@H]12 223353732 344460307 /nfs/dbraw/zinc/46/03/07/344460307.db2.gz IAIXZKSGWHXDRM-RYUDHWBXSA-N 1 3 192.306 1.226 10 30 ADEEHO C=CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C 223829271 344463581 /nfs/dbraw/zinc/46/35/81/344463581.db2.gz CBISDCSITNQKOX-HBNTYKKESA-N 1 3 182.311 1.491 10 30 ADEEHO C=CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C 223829271 344463585 /nfs/dbraw/zinc/46/35/85/344463585.db2.gz CBISDCSITNQKOX-HBNTYKKESA-N 1 3 182.311 1.491 10 30 ADEEHO C=CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C 223829401 344463605 /nfs/dbraw/zinc/46/36/05/344463605.db2.gz CBISDCSITNQKOX-GARJFASQSA-N 1 3 182.311 1.491 10 30 ADEEHO C=CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C 223829401 344463608 /nfs/dbraw/zinc/46/36/08/344463608.db2.gz CBISDCSITNQKOX-GARJFASQSA-N 1 3 182.311 1.491 10 30 ADEEHO C=CC[N@H+]1C[C@@H](CC)NCC[C@@H]1C 224395650 344468238 /nfs/dbraw/zinc/46/82/38/344468238.db2.gz WMOMBJGUTKFKLE-WDEREUQCSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[N@@H+]1C[C@@H](CC)NCC[C@@H]1C 224395650 344468242 /nfs/dbraw/zinc/46/82/42/344468242.db2.gz WMOMBJGUTKFKLE-WDEREUQCSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[N@H+]1C[C@H](CC)NCC[C@@H]1C 224395706 344468537 /nfs/dbraw/zinc/46/85/37/344468537.db2.gz WMOMBJGUTKFKLE-QWRGUYRKSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CC[N@@H+]1C[C@H](CC)NCC[C@@H]1C 224395706 344468538 /nfs/dbraw/zinc/46/85/38/344468538.db2.gz WMOMBJGUTKFKLE-QWRGUYRKSA-N 1 3 182.311 1.635 10 30 ADEEHO C=C(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]12 225793586 344487158 /nfs/dbraw/zinc/48/71/58/344487158.db2.gz BBABYNUPQFPDKD-MNOVXSKESA-N 1 3 180.295 1.389 10 30 ADEEHO C=C(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]12 225793586 344487160 /nfs/dbraw/zinc/48/71/60/344487160.db2.gz BBABYNUPQFPDKD-MNOVXSKESA-N 1 3 180.295 1.389 10 30 ADEEHO C=C(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]12 225793606 344487199 /nfs/dbraw/zinc/48/71/99/344487199.db2.gz BBABYNUPQFPDKD-QWRGUYRKSA-N 1 3 180.295 1.389 10 30 ADEEHO C=C(C)CN[C@H]1CC[N@H+]2CCC[C@@H]12 225793606 344487201 /nfs/dbraw/zinc/48/72/01/344487201.db2.gz BBABYNUPQFPDKD-QWRGUYRKSA-N 1 3 180.295 1.389 10 30 ADEEHO C=C(C)CN1CC[C@@H]([NH3+])[C@@H](CC)C1 226033316 344490728 /nfs/dbraw/zinc/49/07/28/344490728.db2.gz YXPAXZZNVIMRNA-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCCN1CC[C@@H]([NH3+])[C@@H](CC)C1 226031600 344490916 /nfs/dbraw/zinc/49/09/16/344490916.db2.gz ROAULHROWNXFLY-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CC(C)(C)N1CC[C@@H]([NH3+])[C@@H](C)C1 226267193 344497056 /nfs/dbraw/zinc/49/70/56/344497056.db2.gz XOTAMFCWGZZFCG-VHSXEESVSA-N 1 3 180.295 1.067 10 30 ADEEHO CC#CCCN(C)[C@H]1CCC[NH2+]CC1 226466598 344503553 /nfs/dbraw/zinc/50/35/53/344503553.db2.gz CNDQQJZJTKEPJA-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO CC#CCCN(C)[C@@H]1CCC[NH2+]CC1 226466595 344503586 /nfs/dbraw/zinc/50/35/86/344503586.db2.gz CNDQQJZJTKEPJA-GFCCVEGCSA-N 1 3 194.322 1.474 10 30 ADEEHO C=C[C@H](C)N1CCC[C@@H]([C@H](C)[NH3+])C1 226927036 344517542 /nfs/dbraw/zinc/51/75/42/344517542.db2.gz ZSIQSTCTYCOAFZ-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 227068302 344520909 /nfs/dbraw/zinc/52/09/09/344520909.db2.gz VRWZSMQJYAJCPS-LPEHRKFASA-N 1 3 168.284 1.230 10 30 ADEEHO C=C(CC)CN1CC[C@@H]([NH3+])[C@@H](C)C1 227074181 344521374 /nfs/dbraw/zinc/52/13/74/344521374.db2.gz BXTNOTSNLCBKPN-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 227071861 344521445 /nfs/dbraw/zinc/52/14/45/344521445.db2.gz YXORXFBTEAGFHD-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(CC)CN1CC[C@H]([NH3+])[C@@H](C)C1 227074186 344521459 /nfs/dbraw/zinc/52/14/59/344521459.db2.gz BXTNOTSNLCBKPN-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 227494903 344532055 /nfs/dbraw/zinc/53/20/55/344532055.db2.gz VJSLOPSAWCQDKT-XWLWVQCSSA-N 1 3 180.295 1.101 10 30 ADEEHO CC#CCCN1CC[C@H]([NH3+])[C@@H](C)C1 228696780 344566653 /nfs/dbraw/zinc/56/66/53/344566653.db2.gz BILRRIPCXZKRLS-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCCN1CC[C@@H]([NH3+])[C@@H](C)C1 228696768 344566963 /nfs/dbraw/zinc/56/69/63/344566963.db2.gz BILRRIPCXZKRLS-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 228889033 344573370 /nfs/dbraw/zinc/57/33/70/344573370.db2.gz DQNUSZIVTBYOPE-AXFHLTTASA-N 1 3 180.295 1.258 10 30 ADEEHO C#CC[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 228889033 344573374 /nfs/dbraw/zinc/57/33/74/344573374.db2.gz DQNUSZIVTBYOPE-AXFHLTTASA-N 1 3 180.295 1.258 10 30 ADEEHO C#CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 228889011 344573602 /nfs/dbraw/zinc/57/36/02/344573602.db2.gz DQNUSZIVTBYOPE-HBNTYKKESA-N 1 3 180.295 1.258 10 30 ADEEHO C#CC[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 228889011 344573605 /nfs/dbraw/zinc/57/36/05/344573605.db2.gz DQNUSZIVTBYOPE-HBNTYKKESA-N 1 3 180.295 1.258 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 228923237 344575592 /nfs/dbraw/zinc/57/55/92/344575592.db2.gz GNJDHSOIHRNXRN-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@@H](N)[C@@H](C)C1 228923237 344575594 /nfs/dbraw/zinc/57/55/94/344575594.db2.gz GNJDHSOIHRNXRN-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 228923237 344575596 /nfs/dbraw/zinc/57/55/96/344575596.db2.gz GNJDHSOIHRNXRN-GARJFASQSA-N 1 3 182.311 1.620 10 30 ADEEHO C#CC[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 228969217 344578056 /nfs/dbraw/zinc/57/80/56/344578056.db2.gz AHRFKZBOEFOHOS-GARJFASQSA-N 1 3 180.295 1.067 10 30 ADEEHO C#CC[C@H](C)N1CC[C@@H]([NH3+])C[C@@H]1C 228969736 344578120 /nfs/dbraw/zinc/57/81/20/344578120.db2.gz YAKXTKIDKVUKOO-GARJFASQSA-N 1 3 180.295 1.210 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCCNC(C)(C)C1 229287694 344588884 /nfs/dbraw/zinc/58/88/84/344588884.db2.gz QFQZUKQJYKWLAF-JTQLQIEISA-N 1 3 182.311 1.635 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCCNC(C)(C)C1 229287694 344588885 /nfs/dbraw/zinc/58/88/85/344588885.db2.gz QFQZUKQJYKWLAF-JTQLQIEISA-N 1 3 182.311 1.635 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCCN[C@@H](C)C1 229287638 344588983 /nfs/dbraw/zinc/58/89/83/344588983.db2.gz VSTJWIJGCNOPAA-UWVGGRQHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCCN[C@@H](C)C1 229287638 344588985 /nfs/dbraw/zinc/58/89/85/344588985.db2.gz VSTJWIJGCNOPAA-UWVGGRQHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCCN[C@@H](C)C1 229287648 344589175 /nfs/dbraw/zinc/58/91/75/344589175.db2.gz VSTJWIJGCNOPAA-VHSXEESVSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCCN[C@@H](C)C1 229287648 344589176 /nfs/dbraw/zinc/58/91/76/344589176.db2.gz VSTJWIJGCNOPAA-VHSXEESVSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCCNC(C)(C)C1 229287703 344589206 /nfs/dbraw/zinc/58/92/06/344589206.db2.gz QFQZUKQJYKWLAF-SNVBAGLBSA-N 1 3 182.311 1.635 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCCNC(C)(C)C1 229287703 344589208 /nfs/dbraw/zinc/58/92/08/344589208.db2.gz QFQZUKQJYKWLAF-SNVBAGLBSA-N 1 3 182.311 1.635 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[C@@H]([NH3+])C1 229324454 344591197 /nfs/dbraw/zinc/59/11/97/344591197.db2.gz SGMNOYMZIMMSRS-YIZRAAEISA-N 1 3 154.257 1.030 10 30 ADEEHO C=C[C@H](C)N[C@@H]1CC[C@@H]([NH3+])C1 229324433 344591201 /nfs/dbraw/zinc/59/12/01/344591201.db2.gz SGMNOYMZIMMSRS-DJLDLDEBSA-N 1 3 154.257 1.030 10 30 ADEEHO C#C[C@H](C)N1CCC([C@H](C)[NH3+])CC1 229560307 344603664 /nfs/dbraw/zinc/60/36/64/344603664.db2.gz MIOUSGSVKKYMDD-UWVGGRQHSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N1CCC[C@H]([C@H](C)[NH3+])C1 229560856 344603693 /nfs/dbraw/zinc/60/36/93/344603693.db2.gz FWNFBJPZRBJQDI-DCAQKATOSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 229560325 344603704 /nfs/dbraw/zinc/60/37/04/344603704.db2.gz MIOUSGSVKKYMDD-ZJUUUORDSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 229560837 344603720 /nfs/dbraw/zinc/60/37/20/344603720.db2.gz FWNFBJPZRBJQDI-HBNTYKKESA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 229560301 344603778 /nfs/dbraw/zinc/60/37/78/344603778.db2.gz MIOUSGSVKKYMDD-VHSXEESVSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N1CCC[C@@H]([C@H](C)[NH3+])C1 229560844 344603816 /nfs/dbraw/zinc/60/38/16/344603816.db2.gz FWNFBJPZRBJQDI-GARJFASQSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N1CCC[C@H]([C@@H](C)[NH3+])C1 229560849 344603834 /nfs/dbraw/zinc/60/38/34/344603834.db2.gz FWNFBJPZRBJQDI-AXFHLTTASA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 229560317 344603972 /nfs/dbraw/zinc/60/39/72/344603972.db2.gz MIOUSGSVKKYMDD-NXEZZACHSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](CC)N1CCC[C@H]([C@@H](C)[NH3+])C1 229560868 344603999 /nfs/dbraw/zinc/60/39/99/344603999.db2.gz DOIKDTVZCQXXSI-GRYCIOLGSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](C)N1C[C@@H](C[NH3+])CC[C@@H]1C 229560926 344604033 /nfs/dbraw/zinc/60/40/33/344604033.db2.gz PFFULFIMLGABRS-GARJFASQSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N(C)[C@@H]1CCC[C@@H]1C[NH3+] 229561903 344604334 /nfs/dbraw/zinc/60/43/34/344604334.db2.gz JLCPJPJNVYFSSL-HBNTYKKESA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](CC)N1CC[C@@H]([NH3+])C[C@@H]1C 229563816 344604569 /nfs/dbraw/zinc/60/45/69/344604569.db2.gz MUOXQTNXKSJXLM-HBNTYKKESA-N 1 3 180.295 1.210 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@H](C)[C@@H](C)C1 231622497 344654836 /nfs/dbraw/zinc/65/48/36/344654836.db2.gz GNRCUQUSZJKRSX-QWRGUYRKSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@@H](C)[C@@H](C)C1 231622493 344655018 /nfs/dbraw/zinc/65/50/18/344655018.db2.gz GNRCUQUSZJKRSX-MNOVXSKESA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C[NH3+])CN1CCC[C@@H](C)[C@@H]1C 231613610 344655045 /nfs/dbraw/zinc/65/50/45/344655045.db2.gz MDDATKHSLZQUKC-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(CN)C[NH+]1C[C@@H]2CCC[C@H]2C1 231621132 344655056 /nfs/dbraw/zinc/65/50/56/344655056.db2.gz ARWCCAWHLBDOOB-QWRGUYRKSA-N 1 3 180.295 1.233 10 30 ADEEHO C=C(CN)C[N@H+]1C[C@H]2CCC[C@H]2C1 231621125 344655114 /nfs/dbraw/zinc/65/51/14/344655114.db2.gz ARWCCAWHLBDOOB-PHIMTYICSA-N 1 3 180.295 1.233 10 30 ADEEHO C=C(CN)C[N@@H+]1C[C@H]2CCC[C@H]2C1 231621125 344655117 /nfs/dbraw/zinc/65/51/17/344655117.db2.gz ARWCCAWHLBDOOB-PHIMTYICSA-N 1 3 180.295 1.233 10 30 ADEEHO C=C(C[NH3+])CN1CCC[C@H](C)[C@@H]1C 231613616 344655142 /nfs/dbraw/zinc/65/51/42/344655142.db2.gz MDDATKHSLZQUKC-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(CN)C[NH+]1C[C@H]2CCC[C@@H]2C1 231621128 344655275 /nfs/dbraw/zinc/65/52/75/344655275.db2.gz ARWCCAWHLBDOOB-GHMZBOCLSA-N 1 3 180.295 1.233 10 30 ADEEHO C#C[C@H](CC)N1CCC[C@@H]([C@@H](C)[NH3+])C1 232056320 344670519 /nfs/dbraw/zinc/67/05/19/344670519.db2.gz DOIKDTVZCQXXSI-IJLUTSLNSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCN(C)[C@H]1CCCC[C@H]1C[NH3+] 250373546 344832603 /nfs/dbraw/zinc/83/26/03/344832603.db2.gz HVYUEJYVHCCYFO-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCN(C)[C@@H]1CCC[C@H]1C[NH3+] 250510284 344835077 /nfs/dbraw/zinc/83/50/77/344835077.db2.gz AZTOPKSLSQZXDS-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCN(C)[C@H]1CCC[C@H]1C[NH3+] 250510283 344835236 /nfs/dbraw/zinc/83/52/36/344835236.db2.gz AZTOPKSLSQZXDS-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCN(C)[C@H]1CCCC[C@H]1C[NH3+] 250521761 344835782 /nfs/dbraw/zinc/83/57/82/344835782.db2.gz LYFHTHHXXPVIBI-RYUDHWBXSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCN(C)[C@@H]1CCCC[C@H]1C[NH3+] 250521758 344835861 /nfs/dbraw/zinc/83/58/61/344835861.db2.gz LYFHTHHXXPVIBI-NWDGAFQWSA-N 1 3 194.322 1.459 10 30 ADEEHO C=CCC[N@H+]1CC[C@H](C)[C@H](N)C1 251646315 344862766 /nfs/dbraw/zinc/86/27/66/344862766.db2.gz JNHYRIYLMVPAPO-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@@H+]1CC[C@H](C)[C@H](N)C1 251646315 344862770 /nfs/dbraw/zinc/86/27/70/344862770.db2.gz JNHYRIYLMVPAPO-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@H+]1CC[C@@H](C)[C@H](N)C1 251646309 344862953 /nfs/dbraw/zinc/86/29/53/344862953.db2.gz JNHYRIYLMVPAPO-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCC[N@@H+]1CC[C@@H](C)[C@H](N)C1 251646309 344862955 /nfs/dbraw/zinc/86/29/55/344862955.db2.gz JNHYRIYLMVPAPO-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C#CCCN1CC[C@@H]([NH3+])[C@H](CC)C1 251848952 344876291 /nfs/dbraw/zinc/87/62/91/344876291.db2.gz ROAULHROWNXFLY-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C=C[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 251892626 344879506 /nfs/dbraw/zinc/87/95/06/344879506.db2.gz VRWZSMQJYAJCPS-KXUCPTDWSA-N 1 3 168.284 1.230 10 30 ADEEHO C#CC(C)(C)N1CC[C@@H]([NH3+])[C@H](C)C1 251916114 344879780 /nfs/dbraw/zinc/87/97/80/344879780.db2.gz XOTAMFCWGZZFCG-NXEZZACHSA-N 1 3 180.295 1.067 10 30 ADEEHO C=C(C)CN1CC[C@@H]([NH3+])[C@H](CC)C1 251927047 344880996 /nfs/dbraw/zinc/88/09/96/344880996.db2.gz YXPAXZZNVIMRNA-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN1CC[C@@H]([NH3+])[C@H](C)C1 251933212 344881353 /nfs/dbraw/zinc/88/13/53/344881353.db2.gz YXORXFBTEAGFHD-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252561331 344901622 /nfs/dbraw/zinc/90/16/22/344901622.db2.gz VJSLOPSAWCQDKT-NAKRPEOUSA-N 1 3 180.295 1.101 10 30 ADEEHO C=C(C)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252559285 344901634 /nfs/dbraw/zinc/90/16/34/344901634.db2.gz QNWGGRDJKHFQMW-OUAUKWLOSA-N 1 3 180.295 1.102 10 30 ADEEHO C=C(C)CN1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252559286 344901747 /nfs/dbraw/zinc/90/17/47/344901747.db2.gz QNWGGRDJKHFQMW-VWYCJHECSA-N 1 3 180.295 1.102 10 30 ADEEHO C=C[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252561333 344901758 /nfs/dbraw/zinc/90/17/58/344901758.db2.gz VJSLOPSAWCQDKT-VLEAKVRGSA-N 1 3 180.295 1.101 10 30 ADEEHO C=C[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252561334 344901893 /nfs/dbraw/zinc/90/18/93/344901893.db2.gz VJSLOPSAWCQDKT-ZRUFSTJUSA-N 1 3 180.295 1.101 10 30 ADEEHO C=C(C)CN1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252559284 344901986 /nfs/dbraw/zinc/90/19/86/344901986.db2.gz QNWGGRDJKHFQMW-DCAQKATOSA-N 1 3 180.295 1.102 10 30 ADEEHO C=C(CC)CN1CC[C@H]([NH3+])C[C@H]1C 252682931 344908219 /nfs/dbraw/zinc/90/82/19/344908219.db2.gz CXFMZFAJOXCDLM-MNOVXSKESA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(CC)CN1CC[C@@H]([NH3+])C[C@H]1C 252682930 344908297 /nfs/dbraw/zinc/90/82/97/344908297.db2.gz CXFMZFAJOXCDLM-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C#CCCC[N@H+]1CC[C@@H](C)[C@H](N)C1 252774767 344913016 /nfs/dbraw/zinc/91/30/16/344913016.db2.gz WVRHPIIVRUEUTO-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@@H](C)[C@H](N)C1 252774767 344913019 /nfs/dbraw/zinc/91/30/19/344913019.db2.gz WVRHPIIVRUEUTO-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCC[N@@H+]1C[C@@H](CN)C[C@H]1C 252835456 344915436 /nfs/dbraw/zinc/91/54/36/344915436.db2.gz UUBORPURZBXTQY-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCC[N@H+]1C[C@@H](CN)C[C@H]1C 252835456 344915437 /nfs/dbraw/zinc/91/54/37/344915437.db2.gz UUBORPURZBXTQY-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCCN1C[C@@H](C[NH3+])C[C@H]1C 252835456 344915438 /nfs/dbraw/zinc/91/54/38/344915438.db2.gz UUBORPURZBXTQY-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO CC#CCCN1CC[C@H]([NH3+])C[C@H]1C 252824590 344915421 /nfs/dbraw/zinc/91/54/21/344915421.db2.gz DMCGREIIFAYUDJ-MNOVXSKESA-N 1 3 180.295 1.211 10 30 ADEEHO CC#CCC[N@@H+]1C[C@H](CN)CC[C@H]1C 252825252 344915485 /nfs/dbraw/zinc/91/54/85/344915485.db2.gz FKIHCCBUKLMSJI-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCC[N@H+]1C[C@H](CN)CC[C@H]1C 252825252 344915486 /nfs/dbraw/zinc/91/54/86/344915486.db2.gz FKIHCCBUKLMSJI-NEPJUHHUSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCCN1C[C@@H](C[NH3+])CC[C@H]1C 252825253 344915502 /nfs/dbraw/zinc/91/55/02/344915502.db2.gz FKIHCCBUKLMSJI-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCC[N@@H+]1C[C@@H](CN)CC[C@H]1C 252825253 344915504 /nfs/dbraw/zinc/91/55/04/344915504.db2.gz FKIHCCBUKLMSJI-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO CC#CCC[N@H+]1C[C@@H](CN)CC[C@H]1C 252825253 344915505 /nfs/dbraw/zinc/91/55/05/344915505.db2.gz FKIHCCBUKLMSJI-VXGBXAGGSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 252910620 344918644 /nfs/dbraw/zinc/91/86/44/344918644.db2.gz DQNUSZIVTBYOPE-DCAQKATOSA-N 1 3 180.295 1.258 10 30 ADEEHO C#CC[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 252910620 344918646 /nfs/dbraw/zinc/91/86/46/344918646.db2.gz DQNUSZIVTBYOPE-DCAQKATOSA-N 1 3 180.295 1.258 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](C)C1 252911235 344919104 /nfs/dbraw/zinc/91/91/04/344919104.db2.gz GNJDHSOIHRNXRN-OUAUKWLOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](C)C1 252911235 344919106 /nfs/dbraw/zinc/91/91/06/344919106.db2.gz GNJDHSOIHRNXRN-OUAUKWLOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 252911235 344919108 /nfs/dbraw/zinc/91/91/08/344919108.db2.gz GNJDHSOIHRNXRN-OUAUKWLOSA-N 1 3 182.311 1.620 10 30 ADEEHO C#CC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 252910621 344919159 /nfs/dbraw/zinc/91/91/59/344919159.db2.gz DQNUSZIVTBYOPE-GARJFASQSA-N 1 3 180.295 1.258 10 30 ADEEHO C#CC[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 252910621 344919162 /nfs/dbraw/zinc/91/91/62/344919162.db2.gz DQNUSZIVTBYOPE-GARJFASQSA-N 1 3 180.295 1.258 10 30 ADEEHO C#CC[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 252930220 344919275 /nfs/dbraw/zinc/91/92/75/344919275.db2.gz AHRFKZBOEFOHOS-VWYCJHECSA-N 1 3 180.295 1.067 10 30 ADEEHO C#CC[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 252930218 344919394 /nfs/dbraw/zinc/91/93/94/344919394.db2.gz AHRFKZBOEFOHOS-DCAQKATOSA-N 1 3 180.295 1.067 10 30 ADEEHO C#CC[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 252930219 344919531 /nfs/dbraw/zinc/91/95/31/344919531.db2.gz AHRFKZBOEFOHOS-OUAUKWLOSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](CC)N1CCC[C@H]([C@H](C)[NH3+])C1 252934279 344919915 /nfs/dbraw/zinc/91/99/15/344919915.db2.gz DOIKDTVZCQXXSI-SDDRHHMPSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](CC)N1CCC[C@@H]([C@H](C)[NH3+])C1 252934278 344919957 /nfs/dbraw/zinc/91/99/57/344919957.db2.gz DOIKDTVZCQXXSI-QJPTWQEYSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](C)N(C)[C@H]1CCC[C@H]1C[NH3+] 252941833 344920614 /nfs/dbraw/zinc/92/06/14/344920614.db2.gz JLCPJPJNVYFSSL-DCAQKATOSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N(C)[C@H]1CCC[C@@H]1C[NH3+] 252941832 344920623 /nfs/dbraw/zinc/92/06/23/344920623.db2.gz JLCPJPJNVYFSSL-AXFHLTTASA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N(C)[C@@H]1CCC[C@H]1C[NH3+] 252941834 344920791 /nfs/dbraw/zinc/92/07/91/344920791.db2.gz JLCPJPJNVYFSSL-GARJFASQSA-N 1 3 180.295 1.067 10 30 ADEEHO C=C[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252945170 344920926 /nfs/dbraw/zinc/92/09/26/344920926.db2.gz LRGDYHOBIRQVEV-MMWGEVLESA-N 1 3 182.311 1.619 10 30 ADEEHO C=C[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 252945171 344920948 /nfs/dbraw/zinc/92/09/48/344920948.db2.gz LRGDYHOBIRQVEV-NAKRPEOUSA-N 1 3 182.311 1.619 10 30 ADEEHO C#C[C@H](CC)N1CC[C@H]([NH3+])C[C@H]1C 252946800 344921021 /nfs/dbraw/zinc/92/10/21/344921021.db2.gz MUOXQTNXKSJXLM-OUAUKWLOSA-N 1 3 180.295 1.210 10 30 ADEEHO C#C[C@H](CC)N1CC[C@H]([NH3+])C[C@@H]1C 252946798 344921185 /nfs/dbraw/zinc/92/11/85/344921185.db2.gz MUOXQTNXKSJXLM-GARJFASQSA-N 1 3 180.295 1.210 10 30 ADEEHO C=C[C@H](C)N1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252945173 344921323 /nfs/dbraw/zinc/92/13/23/344921323.db2.gz LRGDYHOBIRQVEV-ZDCRXTMVSA-N 1 3 182.311 1.619 10 30 ADEEHO C=C[C@H](C)N1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 252945172 344921337 /nfs/dbraw/zinc/92/13/37/344921337.db2.gz LRGDYHOBIRQVEV-VLEAKVRGSA-N 1 3 182.311 1.619 10 30 ADEEHO C#C[C@H](CC)N1CC[C@@H]([NH3+])C[C@H]1C 252946799 344921426 /nfs/dbraw/zinc/92/14/26/344921426.db2.gz MUOXQTNXKSJXLM-GMTAPVOTSA-N 1 3 180.295 1.210 10 30 ADEEHO C#C[C@H](C)N1C[C@H](C[NH3+])CC[C@@H]1C 252951617 344921730 /nfs/dbraw/zinc/92/17/30/344921730.db2.gz PFFULFIMLGABRS-DCAQKATOSA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N1C[C@H](C[NH3+])CC[C@H]1C 252951616 344921847 /nfs/dbraw/zinc/92/18/47/344921847.db2.gz PFFULFIMLGABRS-AXFHLTTASA-N 1 3 180.295 1.067 10 30 ADEEHO C#C[C@H](C)N1C[C@@H](C[NH3+])CC[C@H]1C 252951618 344921951 /nfs/dbraw/zinc/92/19/51/344921951.db2.gz PFFULFIMLGABRS-HBNTYKKESA-N 1 3 180.295 1.067 10 30 ADEEHO C=C[C@H](C)N[C@@H]1CC[C@H]([NH3+])C1 252957197 344922439 /nfs/dbraw/zinc/92/24/39/344922439.db2.gz SGMNOYMZIMMSRS-XHNCKOQMSA-N 1 3 154.257 1.030 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[C@H]([NH3+])C1 252957196 344922597 /nfs/dbraw/zinc/92/25/97/344922597.db2.gz SGMNOYMZIMMSRS-CIUDSAMLSA-N 1 3 154.257 1.030 10 30 ADEEHO C#CC[C@H](C)N1CC[C@H]([NH3+])C[C@@H]1C 252967358 344922894 /nfs/dbraw/zinc/92/28/94/344922894.db2.gz YAKXTKIDKVUKOO-DCAQKATOSA-N 1 3 180.295 1.210 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCCN[C@H](C)C1 252962473 344923019 /nfs/dbraw/zinc/92/30/19/344923019.db2.gz VSTJWIJGCNOPAA-ZJUUUORDSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCCN[C@H](C)C1 252962473 344923020 /nfs/dbraw/zinc/92/30/20/344923020.db2.gz VSTJWIJGCNOPAA-ZJUUUORDSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCCN[C@H](C)C1 252962472 344923060 /nfs/dbraw/zinc/92/30/60/344923060.db2.gz VSTJWIJGCNOPAA-NXEZZACHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCCN[C@H](C)C1 252962472 344923064 /nfs/dbraw/zinc/92/30/64/344923064.db2.gz VSTJWIJGCNOPAA-NXEZZACHSA-N 1 3 168.284 1.245 10 30 ADEEHO C=C(C[NH3+])CN1CC[C@H](C)[C@H](C)C1 299964702 344961277 /nfs/dbraw/zinc/96/12/77/344961277.db2.gz GNRCUQUSZJKRSX-WDEREUQCSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C[NH3+])CN1CCC[C@H](C)[C@H]1C 299965674 344961339 /nfs/dbraw/zinc/96/13/39/344961339.db2.gz MDDATKHSLZQUKC-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](N)[C@H](C)[C@@H]1C 300399865 344981980 /nfs/dbraw/zinc/98/19/80/344981980.db2.gz XQNIJOGTVXJANW-WOPDTQHZSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCCCN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 300399865 344981985 /nfs/dbraw/zinc/98/19/85/344981985.db2.gz XQNIJOGTVXJANW-WOPDTQHZSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](CCC)N1CC[C@H]([NH3+])[C@H](C)C1 300397513 344982005 /nfs/dbraw/zinc/98/20/05/344982005.db2.gz BZQDDZCQKPWOHY-UTUOFQBUSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](N)[C@H](C)[C@H]1C 300399864 344982172 /nfs/dbraw/zinc/98/21/72/344982172.db2.gz XQNIJOGTVXJANW-UTUOFQBUSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](CC)N1CC[C@H]([NH3+])[C@H](C)[C@H]1C 300399975 344982080 /nfs/dbraw/zinc/98/20/80/344982080.db2.gz ZRALVHPUAKSBOO-KKOKHZNYSA-N 1 3 194.322 1.456 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](N)[C@H](C)[C@H]1C 300399864 344982174 /nfs/dbraw/zinc/98/21/74/344982174.db2.gz XQNIJOGTVXJANW-UTUOFQBUSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCCCN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 300399864 344982175 /nfs/dbraw/zinc/98/21/75/344982175.db2.gz XQNIJOGTVXJANW-UTUOFQBUSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](CCC)N1CC[C@H]([NH3+])[C@@H](C)C1 300397511 344982199 /nfs/dbraw/zinc/98/21/99/344982199.db2.gz BZQDDZCQKPWOHY-TUAOUCFPSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](CCC)N1CC[C@@H]([NH3+])[C@H](C)C1 300397510 344982266 /nfs/dbraw/zinc/98/22/66/344982266.db2.gz BZQDDZCQKPWOHY-IJLUTSLNSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](CC)N1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 300399976 344982275 /nfs/dbraw/zinc/98/22/75/344982275.db2.gz ZRALVHPUAKSBOO-KXNHARMFSA-N 1 3 194.322 1.456 10 30 ADEEHO C#C[C@H](CC)N1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 300399978 344982306 /nfs/dbraw/zinc/98/23/06/344982306.db2.gz ZRALVHPUAKSBOO-YFKTTZPYSA-N 1 3 194.322 1.456 10 30 ADEEHO C#CCCC[N@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 300399863 344982373 /nfs/dbraw/zinc/98/23/73/344982373.db2.gz XQNIJOGTVXJANW-TUAOUCFPSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCCC[N@@H+]1CC[C@H](N)[C@@H](C)[C@H]1C 300399863 344982377 /nfs/dbraw/zinc/98/23/77/344982377.db2.gz XQNIJOGTVXJANW-TUAOUCFPSA-N 1 3 194.322 1.457 10 30 ADEEHO C#CCCCN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 300399863 344982379 /nfs/dbraw/zinc/98/23/79/344982379.db2.gz XQNIJOGTVXJANW-TUAOUCFPSA-N 1 3 194.322 1.457 10 30 ADEEHO C#C[C@H](CC)N1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 300399977 344982414 /nfs/dbraw/zinc/98/24/14/344982414.db2.gz ZRALVHPUAKSBOO-QCNOEVLYSA-N 1 3 194.322 1.456 10 30 ADEEHO C#C[C@H](C(C)C)N1CC[C@H]([NH3+])C[C@H]1C 300865939 345006896 /nfs/dbraw/zinc/00/68/96/345006896.db2.gz GZILUPJCNQOABE-GRYCIOLGSA-N 1 3 194.322 1.456 10 30 ADEEHO C#C[C@H](C(C)C)N1CC[C@H]([NH3+])C[C@@H]1C 300865942 345007065 /nfs/dbraw/zinc/00/70/65/345007065.db2.gz GZILUPJCNQOABE-SDDRHHMPSA-N 1 3 194.322 1.456 10 30 ADEEHO C#C[C@H](C(C)C)N1CC[C@@H]([NH3+])C[C@H]1C 300865940 345007190 /nfs/dbraw/zinc/00/71/90/345007190.db2.gz GZILUPJCNQOABE-IJLUTSLNSA-N 1 3 194.322 1.456 10 30 ADEEHO C#C[C@H](C(C)C)N1CC[C@@H]([NH3+])C[C@@H]1C 300865941 345007222 /nfs/dbraw/zinc/00/72/22/345007222.db2.gz GZILUPJCNQOABE-QJPTWQEYSA-N 1 3 194.322 1.456 10 30 ADEEHO C#C[C@H](N[C@@H]1CCC[NH2+]CC1)C(C)C 300878781 345008525 /nfs/dbraw/zinc/00/85/25/345008525.db2.gz IOTUPIQTFHFRCH-NEPJUHHUSA-N 1 3 194.322 1.376 10 30 ADEEHO C#C[C@@H](N[C@@H]1CCC[NH2+]CC1)C(C)C 300878790 345008677 /nfs/dbraw/zinc/00/86/77/345008677.db2.gz IOTUPIQTFHFRCH-VXGBXAGGSA-N 1 3 194.322 1.376 10 30 ADEEHO C#C[C@@H](N[C@H]1CCC[NH2+]CC1)C(C)C 300878785 345008730 /nfs/dbraw/zinc/00/87/30/345008730.db2.gz IOTUPIQTFHFRCH-NWDGAFQWSA-N 1 3 194.322 1.376 10 30 ADEEHO C#C[C@H](N[C@H]1CCC[NH2+]CC1)C(C)C 300878787 345008741 /nfs/dbraw/zinc/00/87/41/345008741.db2.gz IOTUPIQTFHFRCH-RYUDHWBXSA-N 1 3 194.322 1.376 10 30 ADEEHO C#CCCN1CC[C@H]([NH3+])C(C)(C)C1 306312618 345191392 /nfs/dbraw/zinc/19/13/92/345191392.db2.gz DTOZEDAQMJSAGS-JTQLQIEISA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCN1CC[C@@H]([NH3+])C(C)(C)C1 306312622 345191621 /nfs/dbraw/zinc/19/16/21/345191621.db2.gz DTOZEDAQMJSAGS-SNVBAGLBSA-N 1 3 180.295 1.069 10 30 ADEEHO C=C[C@H](C)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306325497 345202500 /nfs/dbraw/zinc/20/25/00/345202500.db2.gz HKQPIYQYQAKFBX-XWLWVQCSSA-N 1 3 180.295 1.230 10 30 ADEEHO C=C[C@H](C)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306325495 345202572 /nfs/dbraw/zinc/20/25/72/345202572.db2.gz HKQPIYQYQAKFBX-NAKRPEOUSA-N 1 3 180.295 1.230 10 30 ADEEHO C=C[C@H](C)N1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306325494 345202875 /nfs/dbraw/zinc/20/28/75/345202875.db2.gz HKQPIYQYQAKFBX-MMWGEVLESA-N 1 3 180.295 1.230 10 30 ADEEHO C=C(C)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306347863 345221775 /nfs/dbraw/zinc/22/17/75/345221775.db2.gz SKRGEWWOLOEJGA-DCAQKATOSA-N 1 3 180.295 1.232 10 30 ADEEHO C=C(C)CN1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306347865 345221780 /nfs/dbraw/zinc/22/17/80/345221780.db2.gz SKRGEWWOLOEJGA-HBNTYKKESA-N 1 3 180.295 1.232 10 30 ADEEHO C=C(C)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306347864 345221830 /nfs/dbraw/zinc/22/18/30/345221830.db2.gz SKRGEWWOLOEJGA-GARJFASQSA-N 1 3 180.295 1.232 10 30 ADEEHO C=C(C)CN1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306347862 345221925 /nfs/dbraw/zinc/22/19/25/345221925.db2.gz SKRGEWWOLOEJGA-AXFHLTTASA-N 1 3 180.295 1.232 10 30 ADEEHO C=C[C@@H](C)N1C[C@H]2C[N@H+](C)C[C@H]2C1 306465263 345326226 /nfs/dbraw/zinc/32/62/26/345326226.db2.gz BBDKFTGFZAVMMD-MXWKQRLJSA-N 1 3 180.295 1.054 10 30 ADEEHO C=C[C@@H](C)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 306465263 345326227 /nfs/dbraw/zinc/32/62/27/345326227.db2.gz BBDKFTGFZAVMMD-MXWKQRLJSA-N 1 3 180.295 1.054 10 30 ADEEHO C=CCN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 306523148 345395111 /nfs/dbraw/zinc/39/51/11/345395111.db2.gz RUYILTSQPHDZEL-ILWJIGKKSA-N 1 3 166.268 1.127 10 30 ADEEHO C=CCN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 306523149 345395550 /nfs/dbraw/zinc/39/55/50/345395550.db2.gz RUYILTSQPHDZEL-OWUUHHOZSA-N 1 3 166.268 1.127 10 30 ADEEHO C=CCN1CC[C@@]2(CCC[C@@H]2[NH3+])C1 306632842 345501915 /nfs/dbraw/zinc/50/19/15/345501915.db2.gz PZCISWUUJVVFSS-QWRGUYRKSA-N 1 3 180.295 1.376 10 30 ADEEHO C=CCN1CC[C@@]2(CCC[C@H]2[NH3+])C1 306632836 345502112 /nfs/dbraw/zinc/50/21/12/345502112.db2.gz PZCISWUUJVVFSS-MNOVXSKESA-N 1 3 180.295 1.376 10 30 ADEEHO C=CCN1CC[C@]2(CCC[C@H]2[NH3+])C1 306632831 345502208 /nfs/dbraw/zinc/50/22/08/345502208.db2.gz PZCISWUUJVVFSS-GHMZBOCLSA-N 1 3 180.295 1.376 10 30 ADEEHO C=CCN1CC[C@]2(CCC[C@@H]2[NH3+])C1 306632846 345502249 /nfs/dbraw/zinc/50/22/49/345502249.db2.gz PZCISWUUJVVFSS-WDEREUQCSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCNC[C@@H](C)C1 306643688 345512124 /nfs/dbraw/zinc/51/21/24/345512124.db2.gz XLRTUKSKOTWCJJ-ZJUUUORDSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCNC[C@@H](C)C1 306643688 345512125 /nfs/dbraw/zinc/51/21/25/345512125.db2.gz XLRTUKSKOTWCJJ-ZJUUUORDSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCNC[C@@H](C)C1 306643685 345512217 /nfs/dbraw/zinc/51/22/17/345512217.db2.gz XLRTUKSKOTWCJJ-NXEZZACHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCNC[C@@H](C)C1 306643685 345512218 /nfs/dbraw/zinc/51/22/18/345512218.db2.gz XLRTUKSKOTWCJJ-NXEZZACHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCNC[C@H](C)C1 306643687 345512305 /nfs/dbraw/zinc/51/23/05/345512305.db2.gz XLRTUKSKOTWCJJ-VHSXEESVSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCNC[C@H](C)C1 306643687 345512307 /nfs/dbraw/zinc/51/23/07/345512307.db2.gz XLRTUKSKOTWCJJ-VHSXEESVSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCNC[C@H](C)C1 306643686 345512459 /nfs/dbraw/zinc/51/24/59/345512459.db2.gz XLRTUKSKOTWCJJ-UWVGGRQHSA-N 1 3 168.284 1.102 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCNC[C@H](C)C1 306643686 345512461 /nfs/dbraw/zinc/51/24/61/345512461.db2.gz XLRTUKSKOTWCJJ-UWVGGRQHSA-N 1 3 168.284 1.102 10 30 ADEEHO C#C[C@](C)(CC)[N@@H+]1CCCNCC1 306681564 345542873 /nfs/dbraw/zinc/54/28/73/345542873.db2.gz OHWJAEKIFKOFNG-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO C#C[C@](C)(CC)[N@H+]1CCCNCC1 306681564 345542874 /nfs/dbraw/zinc/54/28/74/345542874.db2.gz OHWJAEKIFKOFNG-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO C#C[C@@](C)(CC)[N@H+]1CCCNCC1 306681565 345543549 /nfs/dbraw/zinc/54/35/49/345543549.db2.gz OHWJAEKIFKOFNG-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO C#CCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 306735964 345583348 /nfs/dbraw/zinc/58/33/48/345583348.db2.gz WYVXBDUQXMRWHU-GFCCVEGCSA-N 1 3 192.306 1.037 10 30 ADEEHO C#CCCN1CC[C@@]2(CC[N@H+](C)C2)C1 306735964 345583351 /nfs/dbraw/zinc/58/33/51/345583351.db2.gz WYVXBDUQXMRWHU-GFCCVEGCSA-N 1 3 192.306 1.037 10 30 ADEEHO C#CCCN1CC[C@]2(CC[N@@H+](C)C2)C1 306735965 345583393 /nfs/dbraw/zinc/58/33/93/345583393.db2.gz WYVXBDUQXMRWHU-LBPRGKRZSA-N 1 3 192.306 1.037 10 30 ADEEHO C#CCCN1CC[C@]2(CC[N@H+](C)C2)C1 306735965 345583398 /nfs/dbraw/zinc/58/33/98/345583398.db2.gz WYVXBDUQXMRWHU-LBPRGKRZSA-N 1 3 192.306 1.037 10 30 ADEEHO C=C(CN)C[N@@H+]1CCCC12CCCC2 306773549 345605791 /nfs/dbraw/zinc/60/57/91/345605791.db2.gz UQACMYJTWDBVSD-UHFFFAOYSA-N 1 3 194.322 1.910 10 30 ADEEHO C=C(CN)C[N@H+]1CCCC12CCCC2 306773549 345605793 /nfs/dbraw/zinc/60/57/93/345605793.db2.gz UQACMYJTWDBVSD-UHFFFAOYSA-N 1 3 194.322 1.910 10 30 ADEEHO C=C1CCN(C[C@@H](C)[C@H](C)[NH3+])CC1 306792089 345618412 /nfs/dbraw/zinc/61/84/12/345618412.db2.gz ZXNPHKORASRTBJ-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCN(C[C@H](C)[C@@H](C)[NH3+])CC1 306792091 345618473 /nfs/dbraw/zinc/61/84/73/345618473.db2.gz ZXNPHKORASRTBJ-WDEREUQCSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCN(C[C@H](C)[C@H](C)[NH3+])CC1 306792090 345618489 /nfs/dbraw/zinc/61/84/89/345618489.db2.gz ZXNPHKORASRTBJ-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C1CCN(C[C@@H](C)[C@@H](C)[NH3+])CC1 306792088 345618581 /nfs/dbraw/zinc/61/85/81/345618581.db2.gz ZXNPHKORASRTBJ-GHMZBOCLSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CCN1CC[C@@]2(CC[NH2+]C2)C1 306824338 345638927 /nfs/dbraw/zinc/63/89/27/345638927.db2.gz TVYSIEVZOPWVMW-GFCCVEGCSA-N 1 3 194.322 1.638 10 30 ADEEHO C=C(C)CCN1CC[C@]2(CC[NH2+]C2)C1 306824339 345638943 /nfs/dbraw/zinc/63/89/43/345638943.db2.gz TVYSIEVZOPWVMW-LBPRGKRZSA-N 1 3 194.322 1.638 10 30 ADEEHO C=C(C)C[N@H+]1CCNC[C@@H](C)C1 306829359 345643262 /nfs/dbraw/zinc/64/32/62/345643262.db2.gz JPPWZWVWMGCECN-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=C(C)C[N@@H+]1CCNC[C@@H](C)C1 306829359 345643265 /nfs/dbraw/zinc/64/32/65/345643265.db2.gz JPPWZWVWMGCECN-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=C(C)C[N@H+]1CCNC[C@H](C)C1 306829358 345643512 /nfs/dbraw/zinc/64/35/12/345643512.db2.gz JPPWZWVWMGCECN-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=C(C)C[N@@H+]1CCNC[C@H](C)C1 306829358 345643513 /nfs/dbraw/zinc/64/35/13/345643513.db2.gz JPPWZWVWMGCECN-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCC[C@H](N)[C@H]1C 306960970 345719867 /nfs/dbraw/zinc/71/98/67/345719867.db2.gz ZXVTVMVRYYANKM-AEJSXWLSSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCC[C@H](N)[C@H]1C 306960970 345719871 /nfs/dbraw/zinc/71/98/71/345719871.db2.gz ZXVTVMVRYYANKM-AEJSXWLSSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCC[C@@H](N)[C@H]1C 306960972 345719888 /nfs/dbraw/zinc/71/98/88/345719888.db2.gz ZXVTVMVRYYANKM-IVZWLZJFSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 306960972 345719889 /nfs/dbraw/zinc/71/98/89/345719889.db2.gz ZXVTVMVRYYANKM-IVZWLZJFSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCC[C@H](N)[C@@H]1C 306960971 345720029 /nfs/dbraw/zinc/72/00/29/345720029.db2.gz ZXVTVMVRYYANKM-GUBZILKMSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCC[C@H](N)[C@@H]1C 306960971 345720026 /nfs/dbraw/zinc/72/00/26/345720026.db2.gz ZXVTVMVRYYANKM-GUBZILKMSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCC[C@@H](N)[C@@H]1C 306960973 345720110 /nfs/dbraw/zinc/72/01/10/345720110.db2.gz ZXVTVMVRYYANKM-LPEHRKFASA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCC[C@@H](N)[C@@H]1C 306960973 345720113 /nfs/dbraw/zinc/72/01/13/345720113.db2.gz ZXVTVMVRYYANKM-LPEHRKFASA-N 1 3 168.284 1.373 10 30 ADEEHO C=C(C)CN[C@@H]1CC[NH2+]C[C@@H]1C 307030174 345765413 /nfs/dbraw/zinc/76/54/13/345765413.db2.gz NIBUUDODKKFSBL-VHSXEESVSA-N 1 3 168.284 1.150 10 30 ADEEHO C=C(C)C[NH2+][C@@H]1CCNC[C@@H]1C 307030174 345765415 /nfs/dbraw/zinc/76/54/15/345765415.db2.gz NIBUUDODKKFSBL-VHSXEESVSA-N 1 3 168.284 1.150 10 30 ADEEHO C=C(C)CN[C@@H]1CC[NH2+]C[C@H]1C 307030172 345765428 /nfs/dbraw/zinc/76/54/28/345765428.db2.gz NIBUUDODKKFSBL-NXEZZACHSA-N 1 3 168.284 1.150 10 30 ADEEHO C=C(C)C[NH2+][C@@H]1CCNC[C@H]1C 307030172 345765429 /nfs/dbraw/zinc/76/54/29/345765429.db2.gz NIBUUDODKKFSBL-NXEZZACHSA-N 1 3 168.284 1.150 10 30 ADEEHO C=C(C)CN[C@H]1CC[NH2+]C[C@H]1C 307030175 345765500 /nfs/dbraw/zinc/76/55/00/345765500.db2.gz NIBUUDODKKFSBL-ZJUUUORDSA-N 1 3 168.284 1.150 10 30 ADEEHO C=C(C)C[NH2+][C@H]1CCNC[C@H]1C 307030175 345765504 /nfs/dbraw/zinc/76/55/04/345765504.db2.gz NIBUUDODKKFSBL-ZJUUUORDSA-N 1 3 168.284 1.150 10 30 ADEEHO C=C(C)CN[C@H]1CC[NH2+]C[C@@H]1C 307030173 345765852 /nfs/dbraw/zinc/76/58/52/345765852.db2.gz NIBUUDODKKFSBL-UWVGGRQHSA-N 1 3 168.284 1.150 10 30 ADEEHO CCN(CC)CC#C[C@H]1CCC[NH2+]1 307050063 345778602 /nfs/dbraw/zinc/77/86/02/345778602.db2.gz HNPKMZJIBGWQRR-LLVKDONJSA-N 1 3 180.295 1.084 10 30 ADEEHO CCN(CC)CC#C[C@@H]1CCC[NH2+]1 307050065 345778613 /nfs/dbraw/zinc/77/86/13/345778613.db2.gz HNPKMZJIBGWQRR-NSHDSACASA-N 1 3 180.295 1.084 10 30 ADEEHO C=C(CC)CN1CC[C@]2(CC[NH2+]C2)C1 307050655 345779093 /nfs/dbraw/zinc/77/90/93/345779093.db2.gz ROKYCROOVNYPGB-LBPRGKRZSA-N 1 3 194.322 1.638 10 30 ADEEHO CC#CCN1CCCC[C@H](C[NH3+])C1 307054454 345782013 /nfs/dbraw/zinc/78/20/13/345782013.db2.gz XHRFZYQPPAEJFY-LLVKDONJSA-N 1 3 180.295 1.071 10 30 ADEEHO CC#CCN1CCCC[C@@H](C[NH3+])C1 307054455 345782098 /nfs/dbraw/zinc/78/20/98/345782098.db2.gz XHRFZYQPPAEJFY-NSHDSACASA-N 1 3 180.295 1.071 10 30 ADEEHO C=C[C@@H](C)N1CC[C@H]([NH3+])C(C)(C)C1 307076027 345795789 /nfs/dbraw/zinc/79/57/89/345795789.db2.gz KVMMTRDZPRLZKN-ZJUUUORDSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 307076026 345795834 /nfs/dbraw/zinc/79/58/34/345795834.db2.gz KVMMTRDZPRLZKN-VHSXEESVSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 307076024 345795891 /nfs/dbraw/zinc/79/58/91/345795891.db2.gz KVMMTRDZPRLZKN-NXEZZACHSA-N 1 3 182.311 1.620 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](C)[C@@](C)(CN)C1 307143645 345836862 /nfs/dbraw/zinc/83/68/62/345836862.db2.gz FPCORGBXKTUEBO-QWRGUYRKSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 307143645 345836863 /nfs/dbraw/zinc/83/68/63/345836863.db2.gz FPCORGBXKTUEBO-QWRGUYRKSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 307143644 345837125 /nfs/dbraw/zinc/83/71/25/345837125.db2.gz FPCORGBXKTUEBO-MNOVXSKESA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 307143643 345837288 /nfs/dbraw/zinc/83/72/88/345837288.db2.gz FPCORGBXKTUEBO-GHMZBOCLSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 307143643 345837290 /nfs/dbraw/zinc/83/72/90/345837290.db2.gz FPCORGBXKTUEBO-GHMZBOCLSA-N 1 3 182.311 1.479 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 307169569 345862291 /nfs/dbraw/zinc/86/22/91/345862291.db2.gz YQEMQRULJOFAJF-OUAUKWLOSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 307169569 345862293 /nfs/dbraw/zinc/86/22/93/345862293.db2.gz YQEMQRULJOFAJF-OUAUKWLOSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 307169567 345862298 /nfs/dbraw/zinc/86/22/98/345862298.db2.gz YQEMQRULJOFAJF-DCAQKATOSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(CN)C1 307169567 345862301 /nfs/dbraw/zinc/86/23/01/345862301.db2.gz YQEMQRULJOFAJF-DCAQKATOSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 307169570 345862313 /nfs/dbraw/zinc/86/23/13/345862313.db2.gz YQEMQRULJOFAJF-VWYCJHECSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](C)[C@](C)(CN)C1 307169568 345862468 /nfs/dbraw/zinc/86/24/68/345862468.db2.gz YQEMQRULJOFAJF-GARJFASQSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](C)[C@](C)(CN)C1 307169568 345862470 /nfs/dbraw/zinc/86/24/70/345862470.db2.gz YQEMQRULJOFAJF-GARJFASQSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C(C)CCN1CC[C@@H]([NH3+])[C@H]1C 307376628 346003797 /nfs/dbraw/zinc/00/37/97/346003797.db2.gz WDMWPBGADZEHRD-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)CCN1CC[C@H]([NH3+])[C@H]1C 307376631 346004118 /nfs/dbraw/zinc/00/41/18/346004118.db2.gz WDMWPBGADZEHRD-ZJUUUORDSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)CCN1CC[C@@H]([NH3+])[C@@H]1C 307376630 346004337 /nfs/dbraw/zinc/00/43/37/346004337.db2.gz WDMWPBGADZEHRD-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)CCN1CC[C@H]([NH3+])[C@@H]1C 307376629 346004431 /nfs/dbraw/zinc/00/44/31/346004431.db2.gz WDMWPBGADZEHRD-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)CN1CC[C@@H]([NH3+])C(C)(C)C1 307437771 346039774 /nfs/dbraw/zinc/03/97/74/346039774.db2.gz RATJPVGQCZNNOH-SNVBAGLBSA-N 1 3 182.311 1.622 10 30 ADEEHO C=C(C)CN1CC[C@H]([NH3+])C(C)(C)C1 307437770 346039783 /nfs/dbraw/zinc/03/97/83/346039783.db2.gz RATJPVGQCZNNOH-JTQLQIEISA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCCCN1CC[C@@H]([NH3+])C(C)(C)C1 307483994 346067828 /nfs/dbraw/zinc/06/78/28/346067828.db2.gz TUEZFNUZKFAJPG-LLVKDONJSA-N 1 3 194.322 1.459 10 30 ADEEHO C#CCCCN1CC[C@H]([NH3+])C(C)(C)C1 307483995 346067997 /nfs/dbraw/zinc/06/79/97/346067997.db2.gz TUEZFNUZKFAJPG-NSHDSACASA-N 1 3 194.322 1.459 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCC[C@@H](N)[C@H]1C 307570420 346119538 /nfs/dbraw/zinc/11/95/38/346119538.db2.gz ZXVTVMVRYYANKM-OPRDCNLKSA-N 1 3 168.284 1.373 10 30 ADEEHO C#C[C@](C)(CC)N1CCC([NH3+])CC1 307595240 346135804 /nfs/dbraw/zinc/13/58/04/346135804.db2.gz LCPCOEUZZDVFEP-LLVKDONJSA-N 1 3 180.295 1.211 10 30 ADEEHO C#C[C@@](C)(CC)N1CCC([NH3+])CC1 307595241 346135817 /nfs/dbraw/zinc/13/58/17/346135817.db2.gz LCPCOEUZZDVFEP-NSHDSACASA-N 1 3 180.295 1.211 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 307606843 346142697 /nfs/dbraw/zinc/14/26/97/346142697.db2.gz AKDLGNPWMVDFOB-SRVKXCTJSA-N 1 3 194.322 1.622 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 307606843 346142700 /nfs/dbraw/zinc/14/27/00/346142700.db2.gz AKDLGNPWMVDFOB-SRVKXCTJSA-N 1 3 194.322 1.622 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 307606837 346142876 /nfs/dbraw/zinc/14/28/76/346142876.db2.gz AKDLGNPWMVDFOB-SDDRHHMPSA-N 1 3 194.322 1.622 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 307606588 346143025 /nfs/dbraw/zinc/14/30/25/346143025.db2.gz AKDLGNPWMVDFOB-QJPTWQEYSA-N 1 3 194.322 1.622 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 307606588 346143026 /nfs/dbraw/zinc/14/30/26/346143026.db2.gz AKDLGNPWMVDFOB-QJPTWQEYSA-N 1 3 194.322 1.622 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 307606849 346143127 /nfs/dbraw/zinc/14/31/27/346143127.db2.gz AKDLGNPWMVDFOB-TUAOUCFPSA-N 1 3 194.322 1.622 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H]2CCC[C@]2(CN)C1 307606849 346143128 /nfs/dbraw/zinc/14/31/28/346143128.db2.gz AKDLGNPWMVDFOB-TUAOUCFPSA-N 1 3 194.322 1.622 10 30 ADEEHO C/C=N/CC1CC[NH2+]CC1 584610242 346726409 /nfs/dbraw/zinc/72/64/09/346726409.db2.gz QSPGOAQIUHTCGX-XNWCZRBMSA-N 1 3 140.230 1.077 10 30 ADEEHO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 629408805 347342816 /nfs/dbraw/zinc/34/28/16/347342816.db2.gz ZXOXTWSBXMFVAJ-NOOOWODRSA-N 1 3 196.338 1.927 10 30 ADEEHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 629408803 347342982 /nfs/dbraw/zinc/34/29/82/347342982.db2.gz ZXOXTWSBXMFVAJ-FIQHERPVSA-N 1 3 196.338 1.927 10 30 ADEEHO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629408808 347343084 /nfs/dbraw/zinc/34/30/84/347343084.db2.gz ZXOXTWSBXMFVAJ-WISYIIOYSA-N 1 3 196.338 1.927 10 30 ADEEHO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629408806 347343254 /nfs/dbraw/zinc/34/32/54/347343254.db2.gz ZXOXTWSBXMFVAJ-WHOHXGKFSA-N 1 3 196.338 1.927 10 30 ADEEHO C=CCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C 629406236 347343368 /nfs/dbraw/zinc/34/33/68/347343368.db2.gz KYVUPKAVFYNFRK-GARJFASQSA-N 1 3 182.311 1.681 10 30 ADEEHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C 629406237 347343459 /nfs/dbraw/zinc/34/34/59/347343459.db2.gz KYVUPKAVFYNFRK-OUAUKWLOSA-N 1 3 182.311 1.681 10 30 ADEEHO C=CC(C)(C)CC[NH2+][C@H](C)C1CNC1 629509314 347345071 /nfs/dbraw/zinc/34/50/71/347345071.db2.gz AYSCKAMBZORDGM-SNVBAGLBSA-N 1 3 196.338 1.786 10 30 ADEEHO C=CC(C)(C)CC[NH2+][C@@H](C)C1CNC1 629509313 347345522 /nfs/dbraw/zinc/34/55/22/347345522.db2.gz AYSCKAMBZORDGM-JTQLQIEISA-N 1 3 196.338 1.786 10 30 ADEEHO C=CC[C@@H]1CC[N@@H+](CCCNC)C1 629545118 347347172 /nfs/dbraw/zinc/34/71/72/347347172.db2.gz AJACSUUBTDZIKT-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=CC[C@@H]1CC[N@H+](CCCNC)C1 629545118 347347175 /nfs/dbraw/zinc/34/71/75/347347175.db2.gz AJACSUUBTDZIKT-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=CC[C@@H]1CCN(CCC[NH2+]C)C1 629545118 347347177 /nfs/dbraw/zinc/34/71/77/347347177.db2.gz AJACSUUBTDZIKT-LLVKDONJSA-N 1 3 182.311 1.494 10 30 ADEEHO C=CC[C@H]1CC[N@@H+](CCCNC)C1 629545123 347347283 /nfs/dbraw/zinc/34/72/83/347347283.db2.gz AJACSUUBTDZIKT-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=CC[C@H]1CC[N@H+](CCCNC)C1 629545123 347347284 /nfs/dbraw/zinc/34/72/84/347347284.db2.gz AJACSUUBTDZIKT-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=CC[C@H]1CCN(CCC[NH2+]C)C1 629545123 347347286 /nfs/dbraw/zinc/34/72/86/347347286.db2.gz AJACSUUBTDZIKT-NSHDSACASA-N 1 3 182.311 1.494 10 30 ADEEHO C=CC[C@@H]1CCN(C[C@@H](C)[NH3+])C1 629551895 347348640 /nfs/dbraw/zinc/34/86/40/347348640.db2.gz YKURKXZJPBAIDE-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@H]1CCN(C[C@H](C)[NH3+])C1 629551896 347348794 /nfs/dbraw/zinc/34/87/94/347348794.db2.gz YKURKXZJPBAIDE-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@@H]1CC[N@@H+](CCCN)C1 629550903 347348878 /nfs/dbraw/zinc/34/88/78/347348878.db2.gz QAKSMKAYOVIQPX-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CC[C@@H]1CC[N@H+](CCCN)C1 629550903 347348880 /nfs/dbraw/zinc/34/88/80/347348880.db2.gz QAKSMKAYOVIQPX-SNVBAGLBSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CC[C@@H]1CCN(C[C@H](C)[NH3+])C1 629551897 347348947 /nfs/dbraw/zinc/34/89/47/347348947.db2.gz YKURKXZJPBAIDE-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC[C@H]1CC[N@@H+](CCCN)C1 629550900 347349030 /nfs/dbraw/zinc/34/90/30/347349030.db2.gz QAKSMKAYOVIQPX-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=CC[C@H]1CC[N@H+](CCCN)C1 629550900 347349034 /nfs/dbraw/zinc/34/90/34/347349034.db2.gz QAKSMKAYOVIQPX-JTQLQIEISA-N 1 3 168.284 1.233 10 30 ADEEHO C=CC[C@H]1CCN(C[C@@H](C)[NH3+])C1 629551898 347349071 /nfs/dbraw/zinc/34/90/71/347349071.db2.gz YKURKXZJPBAIDE-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCCN1C[C@]2(C)C[NH2+]C[C@]2(C)C1 629596536 347351892 /nfs/dbraw/zinc/35/18/92/347351892.db2.gz REVGVUMHQBHTQV-TXEJJXNPSA-N 1 3 194.322 1.494 10 30 ADEEHO C=CC[C@@H]1CCN(CC(C)(C)[NH3+])C1 629649979 347354030 /nfs/dbraw/zinc/35/40/30/347354030.db2.gz MUNLQZOHLSIMNU-SNVBAGLBSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[C@H]1CCN(CC(C)(C)[NH3+])C1 629649978 347354308 /nfs/dbraw/zinc/35/43/08/347354308.db2.gz MUNLQZOHLSIMNU-JTQLQIEISA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCC[N@H+]1C[C@H](C)[C@H](CN)C1 631842389 347389834 /nfs/dbraw/zinc/38/98/34/347389834.db2.gz ZSYJRORJGZEZKN-VHSXEESVSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CCC[N@@H+]1C[C@H](C)[C@H](CN)C1 631842389 347389836 /nfs/dbraw/zinc/38/98/36/347389836.db2.gz ZSYJRORJGZEZKN-VHSXEESVSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CCCC[N@H+]1C[C@@H](C)[C@H](CN)C1 631841864 347389854 /nfs/dbraw/zinc/38/98/54/347389854.db2.gz QWVMFNRZDXIEQH-GHMZBOCLSA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CN)C1 631841864 347389857 /nfs/dbraw/zinc/38/98/57/347389857.db2.gz QWVMFNRZDXIEQH-GHMZBOCLSA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCC[N@@H+]1C[C@H](CN)[C@@H](C)C1 631842388 347389866 /nfs/dbraw/zinc/38/98/66/347389866.db2.gz ZSYJRORJGZEZKN-UWVGGRQHSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CCC[N@H+]1C[C@H](CN)[C@@H](C)C1 631842388 347389869 /nfs/dbraw/zinc/38/98/69/347389869.db2.gz ZSYJRORJGZEZKN-UWVGGRQHSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CCCC[N@H+]1C[C@H](C)[C@H](CN)C1 631841867 347389893 /nfs/dbraw/zinc/38/98/93/347389893.db2.gz QWVMFNRZDXIEQH-WDEREUQCSA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCCC[N@@H+]1C[C@H](C)[C@H](CN)C1 631841867 347389896 /nfs/dbraw/zinc/38/98/96/347389896.db2.gz QWVMFNRZDXIEQH-WDEREUQCSA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 631841865 347390140 /nfs/dbraw/zinc/39/01/40/347390140.db2.gz QWVMFNRZDXIEQH-MNOVXSKESA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631841865 347390146 /nfs/dbraw/zinc/39/01/46/347390146.db2.gz QWVMFNRZDXIEQH-MNOVXSKESA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCCC[N@@H+]1C[C@H](CN)[C@@H](C)C1 631841866 347390221 /nfs/dbraw/zinc/39/02/21/347390221.db2.gz QWVMFNRZDXIEQH-QWRGUYRKSA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCCC[N@H+]1C[C@H](CN)[C@@H](C)C1 631841866 347390223 /nfs/dbraw/zinc/39/02/23/347390223.db2.gz QWVMFNRZDXIEQH-QWRGUYRKSA-N 1 3 182.311 1.479 10 30 ADEEHO C=CCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 631842390 347390520 /nfs/dbraw/zinc/39/05/20/347390520.db2.gz ZSYJRORJGZEZKN-ZJUUUORDSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CCCC(C)(C)C[NH2+][C@@H]1CCNC1 635023758 347436916 /nfs/dbraw/zinc/43/69/16/347436916.db2.gz SEACYAZXXWLJAK-LLVKDONJSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCC(C)(C)C[NH2+][C@H]1CCNC1 635023763 347437323 /nfs/dbraw/zinc/43/73/23/347437323.db2.gz SEACYAZXXWLJAK-NSHDSACASA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCN1CCC[C@H]([C@@H](C)[NH3+])C1 70074499 351601762 /nfs/dbraw/zinc/60/17/62/351601762.db2.gz COIPRRPNJHQEAL-ZJUUUORDSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN1CCC[C@@H]([C@H](C)[NH3+])C1 70074496 351601855 /nfs/dbraw/zinc/60/18/55/351601855.db2.gz COIPRRPNJHQEAL-VHSXEESVSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN1CCC[C@H]([C@H](C)[NH3+])C1 70074498 351602205 /nfs/dbraw/zinc/60/22/05/351602205.db2.gz COIPRRPNJHQEAL-UWVGGRQHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 70074497 351602236 /nfs/dbraw/zinc/60/22/36/351602236.db2.gz COIPRRPNJHQEAL-NXEZZACHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=CCN1CC[C@H](C)[C@@H](C[NH3+])C1 167659648 351767936 /nfs/dbraw/zinc/76/79/36/351767936.db2.gz HNUCQMPKQIVRPZ-UWVGGRQHSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CCN1CC[C@@H](C)[C@H](C[NH3+])C1 253184784 351844823 /nfs/dbraw/zinc/84/48/23/351844823.db2.gz HNUCQMPKQIVRPZ-NXEZZACHSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CCN1CC[C@H](C)[C@H](C[NH3+])C1 253184785 351844844 /nfs/dbraw/zinc/84/48/44/351844844.db2.gz HNUCQMPKQIVRPZ-VHSXEESVSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CCC[N@@H+]1CC[C@@]2(CCCNC2)C1 306543398 351944345 /nfs/dbraw/zinc/94/43/45/351944345.db2.gz SIXNATMUPHPJDJ-GFCCVEGCSA-N 1 3 194.322 1.638 10 30 ADEEHO C=CCC[N@H+]1CC[C@@]2(CCCNC2)C1 306543398 351944347 /nfs/dbraw/zinc/94/43/47/351944347.db2.gz SIXNATMUPHPJDJ-GFCCVEGCSA-N 1 3 194.322 1.638 10 30 ADEEHO C=CCCN1CC[C@@]2(CCC[NH2+]C2)C1 306543398 351944348 /nfs/dbraw/zinc/94/43/48/351944348.db2.gz SIXNATMUPHPJDJ-GFCCVEGCSA-N 1 3 194.322 1.638 10 30 ADEEHO C=CCC[N@@H+]1CC[C@]2(CCCNC2)C1 306543399 351944376 /nfs/dbraw/zinc/94/43/76/351944376.db2.gz SIXNATMUPHPJDJ-LBPRGKRZSA-N 1 3 194.322 1.638 10 30 ADEEHO C=CCC[N@H+]1CC[C@]2(CCCNC2)C1 306543399 351944377 /nfs/dbraw/zinc/94/43/77/351944377.db2.gz SIXNATMUPHPJDJ-LBPRGKRZSA-N 1 3 194.322 1.638 10 30 ADEEHO C=CCCN1CC[C@]2(CCC[NH2+]C2)C1 306543399 351944379 /nfs/dbraw/zinc/94/43/79/351944379.db2.gz SIXNATMUPHPJDJ-LBPRGKRZSA-N 1 3 194.322 1.638 10 30 ADEEHO C(#CC1CC[NH2+]CC1)CN1CCCC1 306889962 351972245 /nfs/dbraw/zinc/97/22/45/351972245.db2.gz UNVVTZMFPXYHSL-UHFFFAOYSA-N 1 3 192.306 1.085 10 30 ADEEHO C#C[C@H](C)N1CCCC[C@H](C[NH3+])C1 306934480 351975939 /nfs/dbraw/zinc/97/59/39/351975939.db2.gz GVXAFTSYDZPUKA-WDEREUQCSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@@H](C)N1CCCC[C@H](C[NH3+])C1 306934477 351975958 /nfs/dbraw/zinc/97/59/58/351975958.db2.gz GVXAFTSYDZPUKA-GHMZBOCLSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@@H](C)N1CCCC[C@@H](C[NH3+])C1 306934478 351975977 /nfs/dbraw/zinc/97/59/77/351975977.db2.gz GVXAFTSYDZPUKA-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@H](C)N1CCCC[C@@H](C[NH3+])C1 306934479 351975998 /nfs/dbraw/zinc/97/59/98/351975998.db2.gz GVXAFTSYDZPUKA-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C=CC1CC[NH+](C[C@H](C)N)CC1 307078914 351985202 /nfs/dbraw/zinc/98/52/02/351985202.db2.gz HFBKQVBDVUCNTF-VIFPVBQESA-N 1 3 168.284 1.232 10 30 ADEEHO C=CC1CC[NH+](C[C@@H](C)N)CC1 307078909 351985383 /nfs/dbraw/zinc/98/53/83/351985383.db2.gz HFBKQVBDVUCNTF-SECBINFHSA-N 1 3 168.284 1.232 10 30 ADEEHO C=C(C)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 334361167 352066087 /nfs/dbraw/zinc/06/60/87/352066087.db2.gz BPXBNIFNIRBIQE-NEPJUHHUSA-N 1 3 196.338 1.977 10 30 ADEEHO C=C(C)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 334361167 352066088 /nfs/dbraw/zinc/06/60/88/352066088.db2.gz BPXBNIFNIRBIQE-NEPJUHHUSA-N 1 3 196.338 1.977 10 30 ADEEHO C=C(C)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 334361172 352066099 /nfs/dbraw/zinc/06/60/99/352066099.db2.gz BPXBNIFNIRBIQE-RYUDHWBXSA-N 1 3 196.338 1.977 10 30 ADEEHO C=C(C)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 334361176 352066114 /nfs/dbraw/zinc/06/61/14/352066114.db2.gz BPXBNIFNIRBIQE-VXGBXAGGSA-N 1 3 196.338 1.977 10 30 ADEEHO C=C(C)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 334361176 352066115 /nfs/dbraw/zinc/06/61/15/352066115.db2.gz BPXBNIFNIRBIQE-VXGBXAGGSA-N 1 3 196.338 1.977 10 30 ADEEHO C=C(C)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 334361169 352066355 /nfs/dbraw/zinc/06/63/55/352066355.db2.gz BPXBNIFNIRBIQE-NWDGAFQWSA-N 1 3 196.338 1.977 10 30 ADEEHO C=C(C)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 334361169 352066358 /nfs/dbraw/zinc/06/63/58/352066358.db2.gz BPXBNIFNIRBIQE-NWDGAFQWSA-N 1 3 196.338 1.977 10 30 ADEEHO C=CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 334983906 352086822 /nfs/dbraw/zinc/08/68/22/352086822.db2.gz UUAFPHRMWJJKRF-RYUDHWBXSA-N 1 3 194.322 1.636 10 30 ADEEHO C=CCCN1CCC[C@@]2(CC[NH2+]C2)C1 334981561 352086857 /nfs/dbraw/zinc/08/68/57/352086857.db2.gz SJSSYHGELIFJTJ-LBPRGKRZSA-N 1 3 194.322 1.638 10 30 ADEEHO C=CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 334983903 352086891 /nfs/dbraw/zinc/08/68/91/352086891.db2.gz UUAFPHRMWJJKRF-NWDGAFQWSA-N 1 3 194.322 1.636 10 30 ADEEHO C=CCCN1CCC[C@]2(CC[NH2+]C2)C1 334981560 352087233 /nfs/dbraw/zinc/08/72/33/352087233.db2.gz SJSSYHGELIFJTJ-GFCCVEGCSA-N 1 3 194.322 1.638 10 30 ADEEHO C=CCCN1CCC2(CC[NH2+]2)CC1 335489671 352100486 /nfs/dbraw/zinc/10/04/86/352100486.db2.gz XBICHIKIMNJGQD-UHFFFAOYSA-N 1 3 180.295 1.390 10 30 ADEEHO C=C(C)C[N@H+]1CCC[C@H](N(C)C)CC1 336119315 352126236 /nfs/dbraw/zinc/12/62/36/352126236.db2.gz BQQGUMCSCLZLSB-LBPRGKRZSA-N 1 3 196.338 1.979 10 30 ADEEHO C=C(C)C[N@@H+]1CCC[C@H](N(C)C)CC1 336119315 352126238 /nfs/dbraw/zinc/12/62/38/352126238.db2.gz BQQGUMCSCLZLSB-LBPRGKRZSA-N 1 3 196.338 1.979 10 30 ADEEHO C=C(C)C[N@H+]1CCC[C@@H](N(C)C)CC1 336119314 352126362 /nfs/dbraw/zinc/12/63/62/352126362.db2.gz BQQGUMCSCLZLSB-GFCCVEGCSA-N 1 3 196.338 1.979 10 30 ADEEHO C=CC(C)(C)CC[NH2+][C@H]1CCNC1 530214299 352187150 /nfs/dbraw/zinc/18/71/50/352187150.db2.gz XFPXPOZXZVNACX-JTQLQIEISA-N 1 3 182.311 1.540 10 30 ADEEHO C=CC(C)(C)CC[NH2+][C@@H]1CCNC1 530214300 352187296 /nfs/dbraw/zinc/18/72/96/352187296.db2.gz XFPXPOZXZVNACX-SNVBAGLBSA-N 1 3 182.311 1.540 10 30 ADEEHO C=CC(C)(C)CC[NH2+]C1CCNCC1 530209437 352187361 /nfs/dbraw/zinc/18/73/61/352187361.db2.gz HOJLELHGPXHOAF-UHFFFAOYSA-N 1 3 196.338 1.930 10 30 ADEEHO N#Cc1ccccc1[C@H](N)CCC[NH3+] 575440101 352204605 /nfs/dbraw/zinc/20/46/05/352204605.db2.gz USSAANSWESQCQS-LLVKDONJSA-N 1 3 189.262 1.297 10 30 ADEEHO N#Cc1ccccc1[C@@H](N)CCC[NH3+] 575440425 352204719 /nfs/dbraw/zinc/20/47/19/352204719.db2.gz USSAANSWESQCQS-NSHDSACASA-N 1 3 189.262 1.297 10 30 ADEEHO C=C1CN(C[C@H]2CC[NH2+]C[C@@H]2C)C1 575453756 352221787 /nfs/dbraw/zinc/22/17/87/352221787.db2.gz CHRFBHNANGJKDL-WDEREUQCSA-N 1 3 180.295 1.104 10 30 ADEEHO C=C1CN(C[C@H]2CC[NH2+]C[C@H]2C)C1 575453742 352221854 /nfs/dbraw/zinc/22/18/54/352221854.db2.gz CHRFBHNANGJKDL-GHMZBOCLSA-N 1 3 180.295 1.104 10 30 ADEEHO C=C1CN(C[C@@H]2CC[NH2+]C[C@H]2C)C1 575453754 352221876 /nfs/dbraw/zinc/22/18/76/352221876.db2.gz CHRFBHNANGJKDL-MNOVXSKESA-N 1 3 180.295 1.104 10 30 ADEEHO C=C1CN(C[C@@H]2CC[NH2+]C[C@@H]2C)C1 575453755 352221993 /nfs/dbraw/zinc/22/19/93/352221993.db2.gz CHRFBHNANGJKDL-QWRGUYRKSA-N 1 3 180.295 1.104 10 30 ADEEHO C=C1CCN(C[C@H]2CCC[C@H]2[NH3+])C1 575462985 352253777 /nfs/dbraw/zinc/25/37/77/352253777.db2.gz UYNMFXCOVVYJQC-GHMZBOCLSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](N)CC[C@@H]1C 575479039 352298612 /nfs/dbraw/zinc/29/86/12/352298612.db2.gz BUGPHBZFIIUIBH-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](N)CC[C@@H]1C 575479039 352298614 /nfs/dbraw/zinc/29/86/14/352298614.db2.gz BUGPHBZFIIUIBH-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)C[N@H+]1C[C@H](N)CC[C@H]1C 575479037 352298676 /nfs/dbraw/zinc/29/86/76/352298676.db2.gz BUGPHBZFIIUIBH-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@H](N)CC[C@H]1C 575479037 352298678 /nfs/dbraw/zinc/29/86/78/352298678.db2.gz BUGPHBZFIIUIBH-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H](N)CC[C@H]1C 575479047 352298721 /nfs/dbraw/zinc/29/87/21/352298721.db2.gz BUGPHBZFIIUIBH-ZJUUUORDSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H](N)CC[C@H]1C 575479047 352298723 /nfs/dbraw/zinc/29/87/23/352298723.db2.gz BUGPHBZFIIUIBH-ZJUUUORDSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)C[N@H+]1C[C@@H](N)CC[C@@H]1C 575479038 352298831 /nfs/dbraw/zinc/29/88/31/352298831.db2.gz BUGPHBZFIIUIBH-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C(C)C[N@@H+]1C[C@@H](N)CC[C@@H]1C 575479038 352298834 /nfs/dbraw/zinc/29/88/34/352298834.db2.gz BUGPHBZFIIUIBH-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H](N)CC[C@H]1C 575481395 352310885 /nfs/dbraw/zinc/31/08/85/352310885.db2.gz OHTIRIWTOSJLSH-AEJSXWLSSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H](N)CC[C@H]1C 575481395 352310889 /nfs/dbraw/zinc/31/08/89/352310889.db2.gz OHTIRIWTOSJLSH-AEJSXWLSSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@H](N)CC[C@@H]1C 575481400 352310983 /nfs/dbraw/zinc/31/09/83/352310983.db2.gz OHTIRIWTOSJLSH-LPEHRKFASA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](N)CC[C@@H]1C 575481400 352310985 /nfs/dbraw/zinc/31/09/85/352310985.db2.gz OHTIRIWTOSJLSH-LPEHRKFASA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@@H+]1C[C@@H](N)CC[C@@H]1C 575481397 352311129 /nfs/dbraw/zinc/31/11/29/352311129.db2.gz OHTIRIWTOSJLSH-GUBZILKMSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@@H](N)CC[C@@H]1C 575481397 352311132 /nfs/dbraw/zinc/31/11/32/352311132.db2.gz OHTIRIWTOSJLSH-GUBZILKMSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C[C@H](C)[N@H+]1C[C@H](N)CC[C@H]1C 575481398 352311197 /nfs/dbraw/zinc/31/11/97/352311197.db2.gz OHTIRIWTOSJLSH-IVZWLZJFSA-N 1 3 168.284 1.373 10 30 ADEEHO C=C1CCN(C[C@H]2C[NH2+]C[C@H]2C)C1 575503258 352421359 /nfs/dbraw/zinc/42/13/59/352421359.db2.gz ILTQZMJWIORGLB-GHMZBOCLSA-N 1 3 180.295 1.104 10 30 ADEEHO C=C1CCN(C[C@H]2CC[NH2+][C@H]2C)C1 575503324 352421499 /nfs/dbraw/zinc/42/14/99/352421499.db2.gz LJCKLMPIUDZQPV-WDEREUQCSA-N 1 3 180.295 1.246 10 30 ADEEHO C=C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 575503259 352421586 /nfs/dbraw/zinc/42/15/86/352421586.db2.gz ILTQZMJWIORGLB-MNOVXSKESA-N 1 3 180.295 1.104 10 30 ADEEHO C=C1CCN(C[C@H]2C[NH2+]C[C@@H]2C)C1 575503261 352421625 /nfs/dbraw/zinc/42/16/25/352421625.db2.gz ILTQZMJWIORGLB-WDEREUQCSA-N 1 3 180.295 1.104 10 30 ADEEHO C=C1CCN(C[C@H]2CC[NH2+][C@@H]2C)C1 575503321 352421704 /nfs/dbraw/zinc/42/17/04/352421704.db2.gz LJCKLMPIUDZQPV-GHMZBOCLSA-N 1 3 180.295 1.246 10 30 ADEEHO C=C1CCN(C[C@@H]2C[NH2+]C[C@@H]2C)C1 575503260 352421777 /nfs/dbraw/zinc/42/17/77/352421777.db2.gz ILTQZMJWIORGLB-QWRGUYRKSA-N 1 3 180.295 1.104 10 30 ADEEHO C=C1CCN(C[C@@H]2CC[NH2+][C@H]2C)C1 575503323 352421781 /nfs/dbraw/zinc/42/17/81/352421781.db2.gz LJCKLMPIUDZQPV-QWRGUYRKSA-N 1 3 180.295 1.246 10 30 ADEEHO C=C1CCN(C[C@@H]2CC[NH2+][C@@H]2C)C1 575503322 352421822 /nfs/dbraw/zinc/42/18/22/352421822.db2.gz LJCKLMPIUDZQPV-MNOVXSKESA-N 1 3 180.295 1.246 10 30 ADEEHO C=C1CCN(C[C@@H]2CCC[C@H]2[NH3+])C1 575503559 352423834 /nfs/dbraw/zinc/42/38/34/352423834.db2.gz UYNMFXCOVVYJQC-WDEREUQCSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C1CCN(C[C@@H]2CCC[C@@H]2[NH3+])C1 575503558 352424102 /nfs/dbraw/zinc/42/41/02/352424102.db2.gz UYNMFXCOVVYJQC-QWRGUYRKSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C1CCN(C[C@H]2CCC[C@@H]2[NH3+])C1 575503557 352424144 /nfs/dbraw/zinc/42/41/44/352424144.db2.gz UYNMFXCOVVYJQC-MNOVXSKESA-N 1 3 180.295 1.376 10 30 ADEEHO C=C1CCCN([C@@H]2CC[C@H]2C[NH3+])C1 575507856 352443656 /nfs/dbraw/zinc/44/36/56/352443656.db2.gz GIQYWNCLVDKAOH-WDEREUQCSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C1CCCN([C@@H]2CC[C@@H]2C[NH3+])C1 575507852 352443729 /nfs/dbraw/zinc/44/37/29/352443729.db2.gz GIQYWNCLVDKAOH-GHMZBOCLSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C1CCCN([C@H]2CC[C@H]2C[NH3+])C1 575507855 352443817 /nfs/dbraw/zinc/44/38/17/352443817.db2.gz GIQYWNCLVDKAOH-QWRGUYRKSA-N 1 3 180.295 1.376 10 30 ADEEHO C=C1CCCN([C@H]2CC[C@@H]2C[NH3+])C1 575507853 352443911 /nfs/dbraw/zinc/44/39/11/352443911.db2.gz GIQYWNCLVDKAOH-MNOVXSKESA-N 1 3 180.295 1.376 10 30 ADEEHO C#C[C@@H]1CCC[N@@H+](CC(C)(C)N)C1 575519191 352506132 /nfs/dbraw/zinc/50/61/32/352506132.db2.gz DNQIFCNZCBQYMC-SNVBAGLBSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@@H]1CCC[N@H+](CC(C)(C)N)C1 575519191 352506133 /nfs/dbraw/zinc/50/61/33/352506133.db2.gz DNQIFCNZCBQYMC-SNVBAGLBSA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@H]1CCC[N@@H+](CC(C)(C)N)C1 575519190 352506187 /nfs/dbraw/zinc/50/61/87/352506187.db2.gz DNQIFCNZCBQYMC-JTQLQIEISA-N 1 3 180.295 1.069 10 30 ADEEHO C#C[C@H]1CCC[N@H+](CC(C)(C)N)C1 575519190 352506190 /nfs/dbraw/zinc/50/61/90/352506190.db2.gz DNQIFCNZCBQYMC-JTQLQIEISA-N 1 3 180.295 1.069 10 30 ADEEHO C#CC1CC[NH+](CC(C)(C)N)CC1 575519343 352507105 /nfs/dbraw/zinc/50/71/05/352507105.db2.gz MIKYSBFGOXLLCV-UHFFFAOYSA-N 1 3 180.295 1.069 10 30 ADEEHO C=C1CCN(CC2=CC[C@@H]([NH3+])C2)C1 575520795 352513426 /nfs/dbraw/zinc/51/34/26/352513426.db2.gz HLTQAHDGXVUDCH-LLVKDONJSA-N 1 3 178.279 1.296 10 30 ADEEHO C=C1CCN(CC2=CC[C@H]([NH3+])C2)C1 575520796 352513565 /nfs/dbraw/zinc/51/35/65/352513565.db2.gz HLTQAHDGXVUDCH-NSHDSACASA-N 1 3 178.279 1.296 10 30 ADEEHO C=CCN1C[C@H](C)C([NH3+])[C@@H](C)C1 575526731 352540783 /nfs/dbraw/zinc/54/07/83/352540783.db2.gz YGPYIFPKSBMXBD-IUCAKERBSA-N 1 3 168.284 1.088 10 30 ADEEHO C=CCN1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575526740 352540969 /nfs/dbraw/zinc/54/09/69/352540969.db2.gz YGPYIFPKSBMXBD-MYJAWHEDSA-N 1 3 168.284 1.088 10 30 ADEEHO C=CCN1C[C@@H](C)C([NH3+])[C@H](C)C1 575526741 352540979 /nfs/dbraw/zinc/54/09/79/352540979.db2.gz YGPYIFPKSBMXBD-RKDXNWHRSA-N 1 3 168.284 1.088 10 30 ADEEHO C=C(C)C[N@@H+]1CCNCC[C@@H]1C 575539752 352601243 /nfs/dbraw/zinc/60/12/43/352601243.db2.gz BTGHDEORILCJSO-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C)C[N@H+]1CCNCC[C@@H]1C 575539752 352601240 /nfs/dbraw/zinc/60/12/40/352601240.db2.gz BTGHDEORILCJSO-JTQLQIEISA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C)C[N@H+]1CCNCC[C@H]1C 575539753 352601292 /nfs/dbraw/zinc/60/12/92/352601292.db2.gz BTGHDEORILCJSO-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO C=C(C)C[N@@H+]1CCNCC[C@H]1C 575539753 352601294 /nfs/dbraw/zinc/60/12/94/352601294.db2.gz BTGHDEORILCJSO-SNVBAGLBSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CC[N@H+]1CCCCC[C@@H](N)C1 575545753 352622902 /nfs/dbraw/zinc/62/29/02/352622902.db2.gz JHBTVZXKVWLWNV-SNVBAGLBSA-N 1 3 168.284 1.376 10 30 ADEEHO C=CC[N@@H+]1CCCCC[C@@H](N)C1 575545753 352622906 /nfs/dbraw/zinc/62/29/06/352622906.db2.gz JHBTVZXKVWLWNV-SNVBAGLBSA-N 1 3 168.284 1.376 10 30 ADEEHO C=C(C)C[N@@H+]1CCCCC[C@H](N)C1 575546051 352624360 /nfs/dbraw/zinc/62/43/60/352624360.db2.gz LVXLMNRFJQIRHL-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C=C(C)C[N@H+]1CCCCC[C@H](N)C1 575546051 352624363 /nfs/dbraw/zinc/62/43/63/352624363.db2.gz LVXLMNRFJQIRHL-NSHDSACASA-N 1 3 182.311 1.766 10 30 ADEEHO C#CCC[N@H+]1CCCCC[C@@H](N)C1 575546165 352624398 /nfs/dbraw/zinc/62/43/98/352624398.db2.gz NVBOFFKLALAGNQ-LLVKDONJSA-N 1 3 180.295 1.213 10 30 ADEEHO C#CCC[N@@H+]1CCCCC[C@@H](N)C1 575546165 352624402 /nfs/dbraw/zinc/62/44/02/352624402.db2.gz NVBOFFKLALAGNQ-LLVKDONJSA-N 1 3 180.295 1.213 10 30 ADEEHO C=C(C)C[N@@H+]1CCCCC[C@@H](N)C1 575546050 352624559 /nfs/dbraw/zinc/62/45/59/352624559.db2.gz LVXLMNRFJQIRHL-LLVKDONJSA-N 1 3 182.311 1.766 10 30 ADEEHO C=C(C)C[N@H+]1CCCCC[C@@H](N)C1 575546050 352624561 /nfs/dbraw/zinc/62/45/61/352624561.db2.gz LVXLMNRFJQIRHL-LLVKDONJSA-N 1 3 182.311 1.766 10 30 ADEEHO C#CCC[N@H+]1CCCCC[C@H](N)C1 575546166 352624595 /nfs/dbraw/zinc/62/45/95/352624595.db2.gz NVBOFFKLALAGNQ-NSHDSACASA-N 1 3 180.295 1.213 10 30 ADEEHO C#CCC[N@@H+]1CCCCC[C@H](N)C1 575546166 352624596 /nfs/dbraw/zinc/62/45/96/352624596.db2.gz NVBOFFKLALAGNQ-NSHDSACASA-N 1 3 180.295 1.213 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCCCC[C@@H](N)C1 575546974 352626783 /nfs/dbraw/zinc/62/67/83/352626783.db2.gz UPKSKQMNJSURQJ-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCCCC[C@@H](N)C1 575546974 352626788 /nfs/dbraw/zinc/62/67/88/352626788.db2.gz UPKSKQMNJSURQJ-GHMZBOCLSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCCCC[C@H](N)C1 575546976 352626845 /nfs/dbraw/zinc/62/68/45/352626845.db2.gz UPKSKQMNJSURQJ-QWRGUYRKSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCCCC[C@H](N)C1 575546976 352626848 /nfs/dbraw/zinc/62/68/48/352626848.db2.gz UPKSKQMNJSURQJ-QWRGUYRKSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@@H](C)[N@@H+]1CCCCC[C@H](N)C1 575546975 352627154 /nfs/dbraw/zinc/62/71/54/352627154.db2.gz UPKSKQMNJSURQJ-MNOVXSKESA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@@H](C)[N@H+]1CCCCC[C@H](N)C1 575546975 352627155 /nfs/dbraw/zinc/62/71/55/352627155.db2.gz UPKSKQMNJSURQJ-MNOVXSKESA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H](C)[N@@H+]1CCCCC[C@@H](N)C1 575546977 352627245 /nfs/dbraw/zinc/62/72/45/352627245.db2.gz UPKSKQMNJSURQJ-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C[C@H](C)[N@H+]1CCCCC[C@@H](N)C1 575546977 352627247 /nfs/dbraw/zinc/62/72/47/352627247.db2.gz UPKSKQMNJSURQJ-WDEREUQCSA-N 1 3 182.311 1.764 10 30 ADEEHO C=C(C)CN1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575556492 352660326 /nfs/dbraw/zinc/66/03/26/352660326.db2.gz YFRRSTJLVGRJGV-URLYPYJESA-N 1 3 182.311 1.478 10 30 ADEEHO C=C(C)CN1C[C@@H](C)C([NH3+])[C@H](C)C1 575556490 352660357 /nfs/dbraw/zinc/66/03/57/352660357.db2.gz YFRRSTJLVGRJGV-NXEZZACHSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C(C)CN1C[C@H](C)C([NH3+])[C@@H](C)C1 575556498 352660416 /nfs/dbraw/zinc/66/04/16/352660416.db2.gz YFRRSTJLVGRJGV-UWVGGRQHSA-N 1 3 182.311 1.478 10 30 ADEEHO C=C[C@@H](C)N1CCC(C)([NH3+])CC1 575571487 352730992 /nfs/dbraw/zinc/73/09/92/352730992.db2.gz VVWOMYXMSRHUQQ-SECBINFHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=C[C@H](C)N1CCC(C)([NH3+])CC1 575571488 352731011 /nfs/dbraw/zinc/73/10/11/352731011.db2.gz VVWOMYXMSRHUQQ-VIFPVBQESA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCCCN1CCC2(CC[NH2+]2)CC1 643440752 352951902 /nfs/dbraw/zinc/95/19/02/352951902.db2.gz LSSIPSNVVZGVPI-UHFFFAOYSA-N 1 3 194.322 1.781 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 643470567 352958877 /nfs/dbraw/zinc/95/88/77/352958877.db2.gz PANSUHCHRGXXSS-TUAOUCFPSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 643470564 352959121 /nfs/dbraw/zinc/95/91/21/352959121.db2.gz PANSUHCHRGXXSS-QJPTWQEYSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 643470566 352959274 /nfs/dbraw/zinc/95/92/74/352959274.db2.gz PANSUHCHRGXXSS-SRVKXCTJSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 643470565 352959284 /nfs/dbraw/zinc/95/92/84/352959284.db2.gz PANSUHCHRGXXSS-SDDRHHMPSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 643486357 352962583 /nfs/dbraw/zinc/96/25/83/352962583.db2.gz HBBISEHAGNYFIW-NWDGAFQWSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCC[NH2+][C@H](C)[C@@H]1CCCNC1 643486359 352962732 /nfs/dbraw/zinc/96/27/32/352962732.db2.gz HBBISEHAGNYFIW-VXGBXAGGSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCC[NH2+][C@H](C)[C@H]1CCCNC1 643486356 352962874 /nfs/dbraw/zinc/96/28/74/352962874.db2.gz HBBISEHAGNYFIW-NEPJUHHUSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCC[NH2+][C@@H](C)[C@H]1CCCNC1 643486358 352962891 /nfs/dbraw/zinc/96/28/91/352962891.db2.gz HBBISEHAGNYFIW-RYUDHWBXSA-N 1 3 196.338 1.930 10 30 ADEEHO C=C(C)CC[NH2+][C@H](C)[C@H]1CCCNC1 643492489 352966352 /nfs/dbraw/zinc/96/63/52/352966352.db2.gz FKAIMXZQYSFPEU-NEPJUHHUSA-N 1 3 196.338 1.930 10 30 ADEEHO C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCNC1 643492492 352966462 /nfs/dbraw/zinc/96/64/62/352966462.db2.gz FKAIMXZQYSFPEU-VXGBXAGGSA-N 1 3 196.338 1.930 10 30 ADEEHO C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 643492490 352966565 /nfs/dbraw/zinc/96/65/65/352966565.db2.gz FKAIMXZQYSFPEU-NWDGAFQWSA-N 1 3 196.338 1.930 10 30 ADEEHO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCNC1 643492491 352966608 /nfs/dbraw/zinc/96/66/08/352966608.db2.gz FKAIMXZQYSFPEU-RYUDHWBXSA-N 1 3 196.338 1.930 10 30 ADEEHO C=C(CC)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 643493460 352967017 /nfs/dbraw/zinc/96/70/17/352967017.db2.gz GMSWVWINMNIATA-NWDGAFQWSA-N 1 3 196.338 1.930 10 30 ADEEHO C=C(CC)CN[C@H](C)[C@H]1CCC[NH2+]C1 643493459 352967036 /nfs/dbraw/zinc/96/70/36/352967036.db2.gz GMSWVWINMNIATA-NEPJUHHUSA-N 1 3 196.338 1.930 10 30 ADEEHO C=C(CC)CN[C@H](C)[C@@H]1CCC[NH2+]C1 643493462 352967363 /nfs/dbraw/zinc/96/73/63/352967363.db2.gz GMSWVWINMNIATA-VXGBXAGGSA-N 1 3 196.338 1.930 10 30 ADEEHO C=C(CC)CN[C@@H](C)[C@H]1CCC[NH2+]C1 643493461 352967401 /nfs/dbraw/zinc/96/74/01/352967401.db2.gz GMSWVWINMNIATA-RYUDHWBXSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CC[C@@H](C)[C@H](C)[NH2+]CCCN 643496655 352970025 /nfs/dbraw/zinc/97/00/25/352970025.db2.gz IXBNUUJDCXLRHL-ZJUUUORDSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CC[C@H](C)[C@@H](C)[NH2+]CCCN 643496654 352970052 /nfs/dbraw/zinc/97/00/52/352970052.db2.gz IXBNUUJDCXLRHL-VHSXEESVSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCN 643496652 352970112 /nfs/dbraw/zinc/97/01/12/352970112.db2.gz IXBNUUJDCXLRHL-NXEZZACHSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCC[C@H]([NH2+]CCCN)C1CC1 643496697 352970324 /nfs/dbraw/zinc/97/03/24/352970324.db2.gz GFPQWXODQIGVAR-NSHDSACASA-N 1 3 182.311 1.670 10 30 ADEEHO C=CCC[C@@H]([NH2+]CCCN)C1CC1 643496696 352970439 /nfs/dbraw/zinc/97/04/39/352970439.db2.gz GFPQWXODQIGVAR-LLVKDONJSA-N 1 3 182.311 1.670 10 30 ADEEHO C=CC[C@H](C)[C@H](C)[NH2+]CCCN 643496653 352970461 /nfs/dbraw/zinc/97/04/61/352970461.db2.gz IXBNUUJDCXLRHL-UWVGGRQHSA-N 1 3 170.300 1.526 10 30 ADEEHO C=CCC[C@H](CC)[NH2+]CCCN 643496663 352970515 /nfs/dbraw/zinc/97/05/15/352970515.db2.gz QZACWULCLHZMRB-JTQLQIEISA-N 1 3 170.300 1.670 10 30 ADEEHO C=CCC[C@@H](CC)[NH2+]CCCN 643496664 352970600 /nfs/dbraw/zinc/97/06/00/352970600.db2.gz QZACWULCLHZMRB-SNVBAGLBSA-N 1 3 170.300 1.670 10 30 ADEEHO C=CCC[C@H]([NH2+]CC1CNC1)C1CC1 643516113 352987279 /nfs/dbraw/zinc/98/72/79/352987279.db2.gz HHMJRBABMJDXBL-LBPRGKRZSA-N 1 3 194.322 1.540 10 30 ADEEHO C=CCC[C@H](CCC)[NH2+]CC1CNC1 643515968 352987467 /nfs/dbraw/zinc/98/74/67/352987467.db2.gz DHVNODPOFPREIG-LBPRGKRZSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCC[C@@H](CCC)[NH2+]CC1CNC1 643515967 352987522 /nfs/dbraw/zinc/98/75/22/352987522.db2.gz DHVNODPOFPREIG-GFCCVEGCSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCC[C@@H]([NH2+]CC1CNC1)C1CC1 643516112 352987621 /nfs/dbraw/zinc/98/76/21/352987621.db2.gz HHMJRBABMJDXBL-GFCCVEGCSA-N 1 3 194.322 1.540 10 30 ADEEHO C=CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 167659534 371683610 /nfs/dbraw/zinc/68/36/10/371683610.db2.gz HNUCQMPKQIVRPZ-ZJUUUORDSA-N 1 3 168.284 1.089 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@H]1CCCNCC1 169129598 371684742 /nfs/dbraw/zinc/68/47/42/371684742.db2.gz DYRZEXFUJMZRNA-QWRGUYRKSA-N 1 3 182.311 1.683 10 30 ADEEHO C=CC[C@@H](C)[NH2+][C@H]1CCCNCC1 169129657 371684851 /nfs/dbraw/zinc/68/48/51/371684851.db2.gz DYRZEXFUJMZRNA-MNOVXSKESA-N 1 3 182.311 1.683 10 30 ADEEHO C=CC[C@@H](C)[NH2+][C@@H]1CCCNCC1 169129515 371685115 /nfs/dbraw/zinc/68/51/15/371685115.db2.gz DYRZEXFUJMZRNA-GHMZBOCLSA-N 1 3 182.311 1.683 10 30 ADEEHO C=CC[C@H](C)[NH2+][C@@H]1CCCNCC1 169129460 371685235 /nfs/dbraw/zinc/68/52/35/371685235.db2.gz DYRZEXFUJMZRNA-WDEREUQCSA-N 1 3 182.311 1.683 10 30 ADEEHO C=CC[N@H+]1CC[C@]2(CCN(C)C2)C1 306994143 375463649 /nfs/dbraw/zinc/46/36/49/375463649.db2.gz MTMYWBXTPWZTTP-NSHDSACASA-N 1 3 180.295 1.200 10 30 ADEEHO C=CC[N@@H+]1CC[C@]2(CCN(C)C2)C1 306994143 375463655 /nfs/dbraw/zinc/46/36/55/375463655.db2.gz MTMYWBXTPWZTTP-NSHDSACASA-N 1 3 180.295 1.200 10 30 ADEEHO C=CC[N@H+]1CC[C@@]2(CCN(C)C2)C1 306994142 375463825 /nfs/dbraw/zinc/46/38/25/375463825.db2.gz MTMYWBXTPWZTTP-LLVKDONJSA-N 1 3 180.295 1.200 10 30 ADEEHO C=CC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 306994142 375463829 /nfs/dbraw/zinc/46/38/29/375463829.db2.gz MTMYWBXTPWZTTP-LLVKDONJSA-N 1 3 180.295 1.200 10 30 ADEEHO C=C(CC)CN[C@H](C)[C@@H]1CC[NH2+]C1 400372669 375504895 /nfs/dbraw/zinc/50/48/95/375504895.db2.gz UOOPWVKALVUHNY-GHMZBOCLSA-N 1 3 182.311 1.540 10 30 ADEEHO C=C(CC)CN[C@@H](C)[C@@H]1CC[NH2+]C1 400372672 375504941 /nfs/dbraw/zinc/50/49/41/375504941.db2.gz UOOPWVKALVUHNY-WDEREUQCSA-N 1 3 182.311 1.540 10 30 ADEEHO C=C(CC)CN[C@@H](C)[C@H]1CC[NH2+]C1 400372671 375505208 /nfs/dbraw/zinc/50/52/08/375505208.db2.gz UOOPWVKALVUHNY-QWRGUYRKSA-N 1 3 182.311 1.540 10 30 ADEEHO C=C(CC)CN[C@H](C)[C@H]1CC[NH2+]C1 400372670 375505374 /nfs/dbraw/zinc/50/53/74/375505374.db2.gz UOOPWVKALVUHNY-MNOVXSKESA-N 1 3 182.311 1.540 10 30 ADEEHO C=CCCCCC[NH2+][C@@H](C)C1CNC1 656200521 409424115 /nfs/dbraw/zinc/42/41/15/409424115.db2.gz OHCDNVNJKCANEW-NSHDSACASA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCCCC[NH2+][C@H](C)C1CNC1 656200520 409424712 /nfs/dbraw/zinc/42/47/12/409424712.db2.gz OHCDNVNJKCANEW-LLVKDONJSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCN1CCCC[C@H]1CC[NH3+] 70534369 409427851 /nfs/dbraw/zinc/42/78/51/409427851.db2.gz IBWDZOUTXXSJNO-JTQLQIEISA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCN1CCCC[C@@H]1CC[NH3+] 70534368 409428265 /nfs/dbraw/zinc/42/82/65/409428265.db2.gz IBWDZOUTXXSJNO-SNVBAGLBSA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCCC[N@H+]1CCC[C@H](N)C1 70593235 409429859 /nfs/dbraw/zinc/42/98/59/409429859.db2.gz CMOOYVVPPLJQSZ-JTQLQIEISA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCCC[N@@H+]1CCC[C@H](N)C1 70593235 409429861 /nfs/dbraw/zinc/42/98/61/409429861.db2.gz CMOOYVVPPLJQSZ-JTQLQIEISA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCCN(C)C1CC[NH2+]CC1 70593207 409430034 /nfs/dbraw/zinc/43/00/34/409430034.db2.gz GXQGJBUSJXOZOV-UHFFFAOYSA-N 1 3 168.284 1.246 10 30 ADEEHO C=CCCC[N@H+]1CCC[C@@H](N)C1 70593236 409430996 /nfs/dbraw/zinc/43/09/96/409430996.db2.gz CMOOYVVPPLJQSZ-SNVBAGLBSA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCCC[N@@H+]1CCC[C@@H](N)C1 70593236 409430999 /nfs/dbraw/zinc/43/09/99/409430999.db2.gz CMOOYVVPPLJQSZ-SNVBAGLBSA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCCN1CC[C@@H](C[NH2+]C)C1 70593305 409431325 /nfs/dbraw/zinc/43/13/25/409431325.db2.gz HFMLPBYNKIJATC-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCC[N@H+]1CC[C@@H](CNC)C1 70593305 409431329 /nfs/dbraw/zinc/43/13/29/409431329.db2.gz HFMLPBYNKIJATC-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCC[N@@H+]1CC[C@@H](CNC)C1 70593305 409431332 /nfs/dbraw/zinc/43/13/32/409431332.db2.gz HFMLPBYNKIJATC-JTQLQIEISA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCCN1CC[C@H](C[NH2+]C)C1 70593306 409431618 /nfs/dbraw/zinc/43/16/18/409431618.db2.gz HFMLPBYNKIJATC-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCC[N@H+]1CC[C@H](CNC)C1 70593306 409431622 /nfs/dbraw/zinc/43/16/22/409431622.db2.gz HFMLPBYNKIJATC-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCC[N@@H+]1CC[C@H](CNC)C1 70593306 409431627 /nfs/dbraw/zinc/43/16/27/409431627.db2.gz HFMLPBYNKIJATC-SNVBAGLBSA-N 1 3 168.284 1.104 10 30 ADEEHO C=CCCN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 70593229 409431828 /nfs/dbraw/zinc/43/18/28/409431828.db2.gz JXEWIHKBHSQDSS-FOSCPWQOSA-N 1 3 194.322 1.777 10 30 ADEEHO C=CC[C@@H](C)[NH2+]C1CCNCC1 121958139 409466019 /nfs/dbraw/zinc/46/60/19/409466019.db2.gz WEKDFPMQEAWIPJ-SECBINFHSA-N 1 3 168.284 1.293 10 30 ADEEHO C=CC[C@H](C)[NH2+]C1CCNCC1 121957954 409466103 /nfs/dbraw/zinc/46/61/03/409466103.db2.gz WEKDFPMQEAWIPJ-VIFPVBQESA-N 1 3 168.284 1.293 10 30 ADEEHO C=CCC[C@H](C)[NH2+]CCCN 131969583 409485325 /nfs/dbraw/zinc/48/53/25/409485325.db2.gz KGPKXYYVLQMACW-VIFPVBQESA-N 1 3 156.273 1.280 10 30 ADEEHO C=CCC[C@@H](C)[NH2+]CCCN 131969784 409489181 /nfs/dbraw/zinc/48/91/81/409489181.db2.gz KGPKXYYVLQMACW-SECBINFHSA-N 1 3 156.273 1.280 10 30 ADEEHO C=CCCCN1CCC[C@H]1C[NH3+] 133242499 409494269 /nfs/dbraw/zinc/49/42/69/409494269.db2.gz DJDKTNWBLMSQPH-JTQLQIEISA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCCCN1CCC[C@@H]1C[NH3+] 133242297 409495646 /nfs/dbraw/zinc/49/56/46/409495646.db2.gz DJDKTNWBLMSQPH-SNVBAGLBSA-N 1 3 168.284 1.376 10 30 ADEEHO C=CCC[N@H+]1CC[C@@H](N)C[C@@H]1C 133617017 409496730 /nfs/dbraw/zinc/49/67/30/409496730.db2.gz DCJWNQWSMUQGGQ-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[N@@H+]1CC[C@@H](N)C[C@@H]1C 133617017 409496736 /nfs/dbraw/zinc/49/67/36/409496736.db2.gz DCJWNQWSMUQGGQ-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCCN1CC[C@@H]([NH3+])C[C@@H]1C 133617017 409496744 /nfs/dbraw/zinc/49/67/44/409496744.db2.gz DCJWNQWSMUQGGQ-VHSXEESVSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[N@H+]1CC[C@H](N)C[C@@H]1C 133617456 409496789 /nfs/dbraw/zinc/49/67/89/409496789.db2.gz DCJWNQWSMUQGGQ-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[N@@H+]1CC[C@H](N)C[C@@H]1C 133617456 409496793 /nfs/dbraw/zinc/49/67/93/409496793.db2.gz DCJWNQWSMUQGGQ-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCCN1CC[C@H]([NH3+])C[C@@H]1C 133617456 409496798 /nfs/dbraw/zinc/49/67/98/409496798.db2.gz DCJWNQWSMUQGGQ-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[N@@H+]1CC[C@@H](N)C[C@H]1C 133616846 409497718 /nfs/dbraw/zinc/49/77/18/409497718.db2.gz DCJWNQWSMUQGGQ-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[N@H+]1CC[C@@H](N)C[C@H]1C 133616846 409497713 /nfs/dbraw/zinc/49/77/13/409497713.db2.gz DCJWNQWSMUQGGQ-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCCN1CC[C@@H]([NH3+])C[C@H]1C 133616846 409497722 /nfs/dbraw/zinc/49/77/22/409497722.db2.gz DCJWNQWSMUQGGQ-NXEZZACHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[N@H+]1CC[C@H](N)C[C@H]1C 133617234 409497990 /nfs/dbraw/zinc/49/79/90/409497990.db2.gz DCJWNQWSMUQGGQ-ZJUUUORDSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[N@@H+]1CC[C@H](N)C[C@H]1C 133617234 409497995 /nfs/dbraw/zinc/49/79/95/409497995.db2.gz DCJWNQWSMUQGGQ-ZJUUUORDSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCCN1CC[C@H]([NH3+])C[C@H]1C 133617234 409498000 /nfs/dbraw/zinc/49/80/00/409498000.db2.gz DCJWNQWSMUQGGQ-ZJUUUORDSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCCCC[NH2+][C@H]1CCNC1 308036951 409680334 /nfs/dbraw/zinc/68/03/34/409680334.db2.gz LAHWVLPOYJBWDF-JTQLQIEISA-N 1 3 168.284 1.294 10 30 ADEEHO C=CCCCC[NH2+][C@@H]1CCNC1 308036956 409680773 /nfs/dbraw/zinc/68/07/73/409680773.db2.gz LAHWVLPOYJBWDF-SNVBAGLBSA-N 1 3 168.284 1.294 10 30 ADEEHO C=CCCCC[NH2+]C1CCNCC1 308139336 409686410 /nfs/dbraw/zinc/68/64/10/409686410.db2.gz KDQQDKVAOQCPGY-UHFFFAOYSA-N 1 3 182.311 1.684 10 30 ADEEHO C=CCCC[NH2+][C@H]1CCCNCC1 308151683 409687965 /nfs/dbraw/zinc/68/79/65/409687965.db2.gz RDKOKOYEVADURE-NSHDSACASA-N 1 3 182.311 1.684 10 30 ADEEHO C=CCCC[NH2+][C@@H]1CCCNCC1 308151682 409689896 /nfs/dbraw/zinc/68/98/96/409689896.db2.gz RDKOKOYEVADURE-LLVKDONJSA-N 1 3 182.311 1.684 10 30 ADEEHO C=CCCCN1CC2CC1(C[NH3+])C2 662307703 409716344 /nfs/dbraw/zinc/71/63/44/409716344.db2.gz POSCMPXUYRIINC-UHFFFAOYSA-N 1 3 180.295 1.376 10 30 ADEEHO C=CCN(CC)[C@H]1CCC[NH2+]CC1 308736328 409754756 /nfs/dbraw/zinc/75/47/56/409754756.db2.gz LNAMUGLCECUCTC-NSHDSACASA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCN(CC)[C@@H]1CCC[NH2+]CC1 308736327 409754902 /nfs/dbraw/zinc/75/49/02/409754902.db2.gz LNAMUGLCECUCTC-LLVKDONJSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CCC(C)(C)C[NH2+][C@H]1CCNC1 310587578 409773204 /nfs/dbraw/zinc/77/32/04/409773204.db2.gz WNYXKVQMKOKZAM-JTQLQIEISA-N 1 3 182.311 1.540 10 30 ADEEHO C=CCC(C)(C)C[NH2+][C@@H]1CCNC1 310587579 409775797 /nfs/dbraw/zinc/77/57/97/409775797.db2.gz WNYXKVQMKOKZAM-SNVBAGLBSA-N 1 3 182.311 1.540 10 30 ADEEHO C=C(CC)CN[C@H]1CCC[NH2+]CC1 313505558 409782162 /nfs/dbraw/zinc/78/21/62/409782162.db2.gz YBWSMCMFPMXLJP-NSHDSACASA-N 1 3 182.311 1.684 10 30 ADEEHO C=C(CC)CNC1CC[NH2+]CC1 313501852 409782716 /nfs/dbraw/zinc/78/27/16/409782716.db2.gz KJHWVHSRZYUPNQ-UHFFFAOYSA-N 1 3 168.284 1.294 10 30 ADEEHO C=C(CC)C[NH2+]C1CCNCC1 313501852 409782721 /nfs/dbraw/zinc/78/27/21/409782721.db2.gz KJHWVHSRZYUPNQ-UHFFFAOYSA-N 1 3 168.284 1.294 10 30 ADEEHO C=C(CC)CN[C@@H]1CCC[NH2+]CC1 313505556 409783134 /nfs/dbraw/zinc/78/31/34/409783134.db2.gz YBWSMCMFPMXLJP-LLVKDONJSA-N 1 3 182.311 1.684 10 30 ADEEHO C=CCC[C@H](C)[NH2+]CC12CC(CN1)C2 663497314 409785098 /nfs/dbraw/zinc/78/50/98/409785098.db2.gz DNVWWVCUSXFKJR-UNXYVOJBSA-N 1 3 194.322 1.683 10 30 ADEEHO C=CCC[C@@H](C)[NH2+]CC12CC(CN1)C2 663497315 409785513 /nfs/dbraw/zinc/78/55/13/409785513.db2.gz DNVWWVCUSXFKJR-VOMCLLRMSA-N 1 3 194.322 1.683 10 30 ADEEHO C=CCCCN1CC[C@H]([NH3+])[C@@H]1C 379317902 409824146 /nfs/dbraw/zinc/82/41/46/409824146.db2.gz IGRFZSKAJSZAQP-UWVGGRQHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CCCNC1 665238254 409855802 /nfs/dbraw/zinc/85/58/02/409855802.db2.gz UWNWSDWMHNVXGO-WDEREUQCSA-N 1 3 182.311 1.540 10 30 ADEEHO C=CCC[NH2+][C@@H](C)[C@H]1CCCNC1 665238253 409855991 /nfs/dbraw/zinc/85/59/91/409855991.db2.gz UWNWSDWMHNVXGO-QWRGUYRKSA-N 1 3 182.311 1.540 10 30 ADEEHO C=CCC[NH2+][C@H](C)[C@H]1CCCNC1 665238252 409856128 /nfs/dbraw/zinc/85/61/28/409856128.db2.gz UWNWSDWMHNVXGO-MNOVXSKESA-N 1 3 182.311 1.540 10 30 ADEEHO C=CCC[NH2+][C@H](C)[C@@H]1CCCNC1 665238251 409857681 /nfs/dbraw/zinc/85/76/81/409857681.db2.gz UWNWSDWMHNVXGO-GHMZBOCLSA-N 1 3 182.311 1.540 10 30 ADEEHO C=CCC(C)(C)C[NH2+]C1CCNCC1 379956106 409871080 /nfs/dbraw/zinc/87/10/80/409871080.db2.gz CWYPAQDOCFAGLI-UHFFFAOYSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCCN(C)C1CC([NH3+])C1 384712812 409912708 /nfs/dbraw/zinc/91/27/08/409912708.db2.gz DYVSAKCEROSXFZ-UHFFFAOYSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCCC[N@@H+](C)C1CC(N)C1 384712812 409912715 /nfs/dbraw/zinc/91/27/15/409912715.db2.gz DYVSAKCEROSXFZ-UHFFFAOYSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCCC[N@H+](C)C1CC(N)C1 384712812 409912718 /nfs/dbraw/zinc/91/27/18/409912718.db2.gz DYVSAKCEROSXFZ-UHFFFAOYSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CC(C)(C)C[NH2+]C1CCNCC1 384960881 409922844 /nfs/dbraw/zinc/92/28/44/409922844.db2.gz NKUIQGBGRKQDGW-UHFFFAOYSA-N 1 3 182.311 1.540 10 30 ADEEHO C=C(C)CC[NH2+]C1CCNCC1 386744409 409938448 /nfs/dbraw/zinc/93/84/48/409938448.db2.gz FBBLFBJJONXJPF-UHFFFAOYSA-N 1 3 168.284 1.294 10 30 ADEEHO C=C(C)CC[NH2+][C@H]1CCCNCC1 386806302 409941068 /nfs/dbraw/zinc/94/10/68/409941068.db2.gz CSQAHERGXKRYIV-NSHDSACASA-N 1 3 182.311 1.684 10 30 ADEEHO C=C(C)CC[NH2+][C@@H]1CCCNCC1 386806301 409941684 /nfs/dbraw/zinc/94/16/84/409941684.db2.gz CSQAHERGXKRYIV-LLVKDONJSA-N 1 3 182.311 1.684 10 30 ADEEHO C=CCCC[NH2+]C1CCNCC1 388519057 409957240 /nfs/dbraw/zinc/95/72/40/409957240.db2.gz VZYJIOAOQRJFAP-UHFFFAOYSA-N 1 3 168.284 1.294 10 30 ADEEHO C=CCCCN1CCC([NH2+]C)CC1 388754533 409963290 /nfs/dbraw/zinc/96/32/90/409963290.db2.gz CLFPWPJGOUNIKF-UHFFFAOYSA-N 1 3 182.311 1.636 10 30 ADEEHO C=CC[C@@H](CC)[NH2+]C1CCNCC1 393811932 409992678 /nfs/dbraw/zinc/99/26/78/409992678.db2.gz XHUDWEDWZGQLRR-SNVBAGLBSA-N 1 3 182.311 1.683 10 30 ADEEHO C=CC[C@@H](CC)[NH2+][C@@H]1CCNC1 393773126 409992218 /nfs/dbraw/zinc/99/22/18/409992218.db2.gz KQFPSSHMLHKBHR-NXEZZACHSA-N 1 3 168.284 1.293 10 30 ADEEHO C=CC[C@H](CC)[NH2+][C@H]1CCNC1 393773131 409992333 /nfs/dbraw/zinc/99/23/33/409992333.db2.gz KQFPSSHMLHKBHR-UWVGGRQHSA-N 1 3 168.284 1.293 10 30 ADEEHO C=CC[C@H](CC)[NH2+][C@@H]1CCNC1 393773133 409992942 /nfs/dbraw/zinc/99/29/42/409992942.db2.gz KQFPSSHMLHKBHR-VHSXEESVSA-N 1 3 168.284 1.293 10 30 ADEEHO C=CC[C@H](CC)[NH2+]C1CCNCC1 393811930 409993325 /nfs/dbraw/zinc/99/33/25/409993325.db2.gz XHUDWEDWZGQLRR-JTQLQIEISA-N 1 3 182.311 1.683 10 30 ADEEHO C=CC[C@@H](CC)[NH2+][C@H]1CCNC1 393773138 409994557 /nfs/dbraw/zinc/99/45/57/409994557.db2.gz KQFPSSHMLHKBHR-ZJUUUORDSA-N 1 3 168.284 1.293 10 30 ADEEHO C=CC(C)(C)C[NH2+][C@@H]1CCCNCC1 395366766 410004240 /nfs/dbraw/zinc/00/42/40/410004240.db2.gz DKBSWEISVUWCDI-LLVKDONJSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CC(C)(C)C[NH2+][C@H]1CCCNCC1 395366768 410005811 /nfs/dbraw/zinc/00/58/11/410005811.db2.gz DKBSWEISVUWCDI-NSHDSACASA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCC[C@H](C)[NH2+][C@@H]1CCNC1 398054448 410019725 /nfs/dbraw/zinc/01/97/25/410019725.db2.gz CXQJSWRICRUROJ-WDEREUQCSA-N 1 3 182.311 1.683 10 30 ADEEHO C=CCCC[C@@H](C)[NH2+][C@@H]1CCNC1 398054444 410019903 /nfs/dbraw/zinc/01/99/03/410019903.db2.gz CXQJSWRICRUROJ-GHMZBOCLSA-N 1 3 182.311 1.683 10 30 ADEEHO C=CCCC[C@@H](C)[NH2+][C@H]1CCNC1 398054445 410020086 /nfs/dbraw/zinc/02/00/86/410020086.db2.gz CXQJSWRICRUROJ-MNOVXSKESA-N 1 3 182.311 1.683 10 30 ADEEHO C=CCCC[C@H](C)[NH2+][C@H]1CCNC1 398054447 410022131 /nfs/dbraw/zinc/02/21/31/410022131.db2.gz CXQJSWRICRUROJ-QWRGUYRKSA-N 1 3 182.311 1.683 10 30 ADEEHO C#CCCN[C@H](C)C[C@H]1CCCC[NH2+]1 86499414 572946332 /nfs/dbraw/zinc/94/63/32/572946332.db2.gz MWWAKNUSMSEFBI-VXGBXAGGSA-N 1 3 194.322 1.520 10 30 ADEEHO C=CCN[C@H](C)C[C@H]1CCCC[NH2+]1 86498601 572946363 /nfs/dbraw/zinc/94/63/63/572946363.db2.gz ITGHQHYKWOOGJN-GHMZBOCLSA-N 1 3 182.311 1.683 10 30 ADEEHO C=CCN[C@H](C)C[C@@H]1CCCC[NH2+]1 86498597 572946443 /nfs/dbraw/zinc/94/64/43/572946443.db2.gz ITGHQHYKWOOGJN-MNOVXSKESA-N 1 3 182.311 1.683 10 30 ADEEHO C=CCN(CC)[C@H](C)CC[NH2+]C 132024930 573184283 /nfs/dbraw/zinc/18/42/83/573184283.db2.gz VSOMZRKXCKOZJB-SNVBAGLBSA-N 1 3 170.300 1.492 10 30 ADEEHO C=CCN(CCC)[C@@H]1CC[C@@H]1C[NH2+]C 132073092 573200738 /nfs/dbraw/zinc/20/07/38/573200738.db2.gz QRTHKAUWMSBFOR-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C#CC(C)(C)NC[C@@H]1CCC[N@@H+](C)C1 69678363 573203379 /nfs/dbraw/zinc/20/33/79/573203379.db2.gz ZZDHWSWLOOOZTK-NSHDSACASA-N 1 3 194.322 1.330 10 30 ADEEHO C#CC(C)(C)NC[C@@H]1CCC[N@H+](C)C1 69678363 573203381 /nfs/dbraw/zinc/20/33/81/573203381.db2.gz ZZDHWSWLOOOZTK-NSHDSACASA-N 1 3 194.322 1.330 10 30 ADEEHO C=CC[N@@H+](CCC)[C@H]1CC[C@@H]1CN 132084949 573206010 /nfs/dbraw/zinc/20/60/10/573206010.db2.gz YWFUGBODCDKSLE-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CC[N@H+](CCC)[C@H]1CC[C@@H]1CN 132084949 573206015 /nfs/dbraw/zinc/20/60/15/573206015.db2.gz YWFUGBODCDKSLE-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN(C(C)C)[C@H](C)CC[NH2+]C 132095555 573205563 /nfs/dbraw/zinc/20/55/63/573205563.db2.gz DVFXWHJBICVDBG-LLVKDONJSA-N 1 3 184.327 1.881 10 30 ADEEHO C=CC[N@H+](C(C)C)[C@H](C)CCNC 132095555 573205568 /nfs/dbraw/zinc/20/55/68/573205568.db2.gz DVFXWHJBICVDBG-LLVKDONJSA-N 1 3 184.327 1.881 10 30 ADEEHO C=CC[N@@H+](C(C)C)[C@H](C)CCNC 132095555 573205571 /nfs/dbraw/zinc/20/55/71/573205571.db2.gz DVFXWHJBICVDBG-LLVKDONJSA-N 1 3 184.327 1.881 10 30 ADEEHO C#CC[C@H](CC)[NH2+][C@H]1CCC[C@H](N)C1 252913617 573205608 /nfs/dbraw/zinc/20/56/08/573205608.db2.gz OKLZHSKQJKPJJE-SRVKXCTJSA-N 1 3 194.322 1.648 10 30 ADEEHO C=CCN(CCC)[C@H]1CC[C@@H]1C[NH3+] 132084949 573206000 /nfs/dbraw/zinc/20/60/00/573206000.db2.gz YWFUGBODCDKSLE-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C#CCCN[C@]1(C[NH3+])CCC1(C)C 308224931 573209172 /nfs/dbraw/zinc/20/91/72/573209172.db2.gz QHICUEJGLDDUCK-NSHDSACASA-N 1 3 180.295 1.117 10 30 ADEEHO C=CCN(C(C)C)[C@@H](C)[C@@H](C)C[NH3+] 132115759 573213232 /nfs/dbraw/zinc/21/32/32/573213232.db2.gz DOYHNVFROABRCF-QWRGUYRKSA-N 1 3 184.327 1.866 10 30 ADEEHO C=CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)CN 132115759 573213220 /nfs/dbraw/zinc/21/32/20/573213220.db2.gz DOYHNVFROABRCF-QWRGUYRKSA-N 1 3 184.327 1.866 10 30 ADEEHO C=CC[N@H+](C(C)C)[C@@H](C)[C@@H](C)CN 132115759 573213226 /nfs/dbraw/zinc/21/32/26/573213226.db2.gz DOYHNVFROABRCF-QWRGUYRKSA-N 1 3 184.327 1.866 10 30 ADEEHO C=CCN(C1CC1)[C@H](C)[C@@H](C)C[NH2+]C 132138323 573225594 /nfs/dbraw/zinc/22/55/94/573225594.db2.gz NOYWUDVIUUMHCG-WDEREUQCSA-N 1 3 196.338 1.881 10 30 ADEEHO C=CCN(C1CC1)[C@@H](C)[C@@H](C)C[NH2+]C 132138668 573225952 /nfs/dbraw/zinc/22/59/52/573225952.db2.gz NOYWUDVIUUMHCG-QWRGUYRKSA-N 1 3 196.338 1.881 10 30 ADEEHO CNCC#CCC[NH+]1CCCCC1 258241985 573237456 /nfs/dbraw/zinc/23/74/56/573237456.db2.gz QDEMHAWWCUKJMW-UHFFFAOYSA-N 1 3 180.295 1.085 10 30 ADEEHO C[NH2+]CC#CCCN1CCCCC1 258241985 573237462 /nfs/dbraw/zinc/23/74/62/573237462.db2.gz QDEMHAWWCUKJMW-UHFFFAOYSA-N 1 3 180.295 1.085 10 30 ADEEHO CC(C)[N@@H+]1CCCC[C@@H]1CC#CCN 258269126 573271854 /nfs/dbraw/zinc/27/18/54/573271854.db2.gz RSYXVRYCQUGLEA-LBPRGKRZSA-N 1 3 194.322 1.602 10 30 ADEEHO CC(C)[N@H+]1CCCC[C@@H]1CC#CCN 258269126 573271860 /nfs/dbraw/zinc/27/18/60/573271860.db2.gz RSYXVRYCQUGLEA-LBPRGKRZSA-N 1 3 194.322 1.602 10 30 ADEEHO CC(C)[NH+]1CCC(C#CCN)CC1 258271376 573273502 /nfs/dbraw/zinc/27/35/02/573273502.db2.gz RYHIDYBMIPTZDL-UHFFFAOYSA-N 1 3 180.295 1.069 10 30 ADEEHO CC(C)[N@@H+]1CCCC[C@H]1CC#CCN 258269123 573273890 /nfs/dbraw/zinc/27/38/90/573273890.db2.gz RSYXVRYCQUGLEA-GFCCVEGCSA-N 1 3 194.322 1.602 10 30 ADEEHO CC(C)[N@H+]1CCCC[C@H]1CC#CCN 258269123 573273899 /nfs/dbraw/zinc/27/38/99/573273899.db2.gz RSYXVRYCQUGLEA-GFCCVEGCSA-N 1 3 194.322 1.602 10 30 ADEEHO C#CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1N 238330517 573276971 /nfs/dbraw/zinc/27/69/71/573276971.db2.gz ZNVHFRFNWQKBLC-WDEREUQCSA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCC[N@H+](C)[C@@H]1CCCC[C@@H]1N 238330517 573276976 /nfs/dbraw/zinc/27/69/76/573276976.db2.gz ZNVHFRFNWQKBLC-WDEREUQCSA-N 1 3 180.295 1.211 10 30 ADEEHO C=CC[C@H](C)[C@@H](N)C(C)(C)[NH+](C)C 715758572 573294914 /nfs/dbraw/zinc/29/49/14/573294914.db2.gz RULAPZLHYXAVCD-VHSXEESVSA-N 1 3 184.327 1.866 10 30 ADEEHO C=CC[C@@H](C)[C@H](N)C(C)(C)[NH+](C)C 715758576 573295954 /nfs/dbraw/zinc/29/59/54/573295954.db2.gz RULAPZLHYXAVCD-ZJUUUORDSA-N 1 3 184.327 1.866 10 30 ADEEHO C[C@@H](CNCCCC#N)C[NH+](C)C 308348619 573324203 /nfs/dbraw/zinc/32/42/03/573324203.db2.gz XFMAIHUADKMKFR-JTQLQIEISA-N 1 3 183.299 1.077 10 30 ADEEHO C[C@@H](C[NH2+]CCCC#N)CN(C)C 308348619 573324206 /nfs/dbraw/zinc/32/42/06/573324206.db2.gz XFMAIHUADKMKFR-JTQLQIEISA-N 1 3 183.299 1.077 10 30 ADEEHO CNCC#CC[C@H]1CCC[N@@H+]1C(C)C 258007066 573334761 /nfs/dbraw/zinc/33/47/61/573334761.db2.gz AVFRAEUHLFGMKP-LBPRGKRZSA-N 1 3 194.322 1.472 10 30 ADEEHO CNCC#CC[C@H]1CCC[N@H+]1C(C)C 258007066 573334763 /nfs/dbraw/zinc/33/47/63/573334763.db2.gz AVFRAEUHLFGMKP-LBPRGKRZSA-N 1 3 194.322 1.472 10 30 ADEEHO CC#CCCN[C@@]1(C[NH3+])CCC1(C)C 308560843 573338021 /nfs/dbraw/zinc/33/80/21/573338021.db2.gz XEAUBRBAHKQFMR-GFCCVEGCSA-N 1 3 194.322 1.507 10 30 ADEEHO C[C@@H](C[NH2+]CCCCC#N)CN(C)C 308557409 573348074 /nfs/dbraw/zinc/34/80/74/573348074.db2.gz BXPYTIQTERPZDK-NSHDSACASA-N 1 3 197.326 1.468 10 30 ADEEHO C=C(CC)CN[C@@H]1CC[NH2+]C[C@@H]1C 313504653 573370786 /nfs/dbraw/zinc/37/07/86/573370786.db2.gz WOGMNXJGBJYNQW-WDEREUQCSA-N 1 3 182.311 1.540 10 30 ADEEHO C=C(CC)C[NH2+][C@@H]1CCNC[C@@H]1C 313504653 573370793 /nfs/dbraw/zinc/37/07/93/573370793.db2.gz WOGMNXJGBJYNQW-WDEREUQCSA-N 1 3 182.311 1.540 10 30 ADEEHO C#CCN(C)CC[C@@H]1CCCC[C@H]1[NH3+] 308566784 573384402 /nfs/dbraw/zinc/38/44/02/573384402.db2.gz IBORZFJIWWCVNU-NWDGAFQWSA-N 1 3 194.322 1.459 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](C)C[C@H]1CCC 308573449 573399169 /nfs/dbraw/zinc/39/91/69/573399169.db2.gz CSIJSPHAQYIEKL-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](C)C[C@H]1CCC 308573449 573399185 /nfs/dbraw/zinc/39/91/85/573399185.db2.gz CSIJSPHAQYIEKL-VXGBXAGGSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN[C@H]1CC[N@@H+](C)C[C@@H]1CCC 308573438 573399791 /nfs/dbraw/zinc/39/97/91/573399791.db2.gz CSIJSPHAQYIEKL-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN[C@H]1CC[N@H+](C)C[C@@H]1CCC 308573438 573399795 /nfs/dbraw/zinc/39/97/95/573399795.db2.gz CSIJSPHAQYIEKL-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCC[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 308578850 573412847 /nfs/dbraw/zinc/41/28/47/573412847.db2.gz OCBIYTHJBLEUCO-NWDGAFQWSA-N 1 3 194.322 1.623 10 30 ADEEHO C=CCC[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 308578850 573412853 /nfs/dbraw/zinc/41/28/53/573412853.db2.gz OCBIYTHJBLEUCO-NWDGAFQWSA-N 1 3 194.322 1.623 10 30 ADEEHO CC#CCN1CCC(CC[NH3+])CC1 69730042 573434216 /nfs/dbraw/zinc/43/42/16/573434216.db2.gz JDPXLFVEFRMQTN-UHFFFAOYSA-N 1 3 180.295 1.071 10 30 ADEEHO C#CCC[N@H+]1C[C@H](CN)CC[C@@H]1C 69728926 573457134 /nfs/dbraw/zinc/45/71/34/573457134.db2.gz QDDOQSVXJQYNQQ-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@@H+]1C[C@H](CN)CC[C@@H]1C 69728926 573457138 /nfs/dbraw/zinc/45/71/38/573457138.db2.gz QDDOQSVXJQYNQQ-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCN1C[C@H](C[NH3+])CC[C@@H]1C 69728926 573457140 /nfs/dbraw/zinc/45/71/40/573457140.db2.gz QDDOQSVXJQYNQQ-QWRGUYRKSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@H+]1C[C@H](CN)CC[C@H]1C 69728924 573457446 /nfs/dbraw/zinc/45/74/46/573457446.db2.gz QDDOQSVXJQYNQQ-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCC[N@@H+]1C[C@H](CN)CC[C@H]1C 69728924 573457453 /nfs/dbraw/zinc/45/74/53/573457453.db2.gz QDDOQSVXJQYNQQ-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCCN1C[C@H](C[NH3+])CC[C@H]1C 69728924 573457461 /nfs/dbraw/zinc/45/74/61/573457461.db2.gz QDDOQSVXJQYNQQ-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO NCC#CC[N@@H+]1CC[C@@H]2CCCC[C@H]21 717447398 573479484 /nfs/dbraw/zinc/47/94/84/573479484.db2.gz AVKSDFSHMKUPPG-NWDGAFQWSA-N 1 3 192.306 1.213 10 30 ADEEHO NCC#CC[N@H+]1CC[C@@H]2CCCC[C@H]21 717447398 573479487 /nfs/dbraw/zinc/47/94/87/573479487.db2.gz AVKSDFSHMKUPPG-NWDGAFQWSA-N 1 3 192.306 1.213 10 30 ADEEHO CC1(C)C(C[NH2+]CC#CCN)C1(C)C 717450158 573479527 /nfs/dbraw/zinc/47/95/27/573479527.db2.gz ZZGLARHWRRYYOD-UHFFFAOYSA-N 1 3 194.322 1.220 10 30 ADEEHO CC1C(=O)ON=C1C[C@H]1CCCC[NH2+]1 107285555 573479823 /nfs/dbraw/zinc/47/98/23/573479823.db2.gz LWWPPRUOFXGGNC-JGVFFNPUSA-N 1 3 196.250 1.068 10 30 ADEEHO C[C@H](CC(C)(C)C)[N@H+](C)CC#CCN 717456848 573499875 /nfs/dbraw/zinc/49/98/75/573499875.db2.gz LQSRCLXPJATAAE-LLVKDONJSA-N 1 3 196.338 1.705 10 30 ADEEHO C[C@H](CC(C)(C)C)[N@@H+](C)CC#CCN 717456848 573499882 /nfs/dbraw/zinc/49/98/82/573499882.db2.gz LQSRCLXPJATAAE-LLVKDONJSA-N 1 3 196.338 1.705 10 30 ADEEHO CC(C)C(C[NH2+]CC#CCN)C(C)C 717456814 573499923 /nfs/dbraw/zinc/49/99/23/573499923.db2.gz KPAJHAAHMZBZGO-UHFFFAOYSA-N 1 3 196.338 1.466 10 30 ADEEHO C=CCCC[NH2+][C@@H](C)CCNC 323170382 573508834 /nfs/dbraw/zinc/50/88/34/573508834.db2.gz WFMOIIPDOLHSRY-JTQLQIEISA-N 1 3 170.300 1.540 10 30 ADEEHO C[N@@H+]1CCC[C@@H](NCCCC#N)CC1 308610906 573519125 /nfs/dbraw/zinc/51/91/25/573519125.db2.gz QROMSOFATTUTRQ-LLVKDONJSA-N 1 3 195.310 1.364 10 30 ADEEHO C[N@H+]1CCC[C@@H](NCCCC#N)CC1 308610906 573519131 /nfs/dbraw/zinc/51/91/31/573519131.db2.gz QROMSOFATTUTRQ-LLVKDONJSA-N 1 3 195.310 1.364 10 30 ADEEHO C#CCN(C)CCC[C@@H]1CCCC[NH2+]1 130341421 573546303 /nfs/dbraw/zinc/54/63/03/573546303.db2.gz TYSRFASBBAKOJP-LBPRGKRZSA-N 1 3 194.322 1.474 10 30 ADEEHO NCC#CC[NH2+][C@@H]1CCC12CCCC2 717479417 573555435 /nfs/dbraw/zinc/55/54/35/573555435.db2.gz WGNXORYNKZOLIY-LLVKDONJSA-N 1 3 192.306 1.261 10 30 ADEEHO C=C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN(C)C 308633794 573573300 /nfs/dbraw/zinc/57/33/00/573573300.db2.gz BVOWHFGWHJXBRV-TUAOUCFPSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)N[C@H]1CCC[C@@H]1C[NH+](C)C 308633794 573573303 /nfs/dbraw/zinc/57/33/03/573573303.db2.gz BVOWHFGWHJXBRV-TUAOUCFPSA-N 1 3 196.338 1.881 10 30 ADEEHO C=CCCCC[NH2+][C@@H]1CCNC[C@@H]1C 308636440 573577020 /nfs/dbraw/zinc/57/70/20/573577020.db2.gz BCTXQXYSKFVKHH-NWDGAFQWSA-N 1 3 196.338 1.930 10 30 ADEEHO C=CCCCC[NH2+][C@H]1CCNC[C@@H]1C 308636441 573577530 /nfs/dbraw/zinc/57/75/30/573577530.db2.gz BCTXQXYSKFVKHH-RYUDHWBXSA-N 1 3 196.338 1.930 10 30 ADEEHO C#CCN(CC=C)CCCC[NH2+]CC 308639638 573584254 /nfs/dbraw/zinc/58/42/54/573584254.db2.gz CKMDQGHZCRNCEO-UHFFFAOYSA-N 1 3 194.322 1.497 10 30 ADEEHO C#CCN(CCC)C[C@@H](C[NH3+])CCC 130444076 573583950 /nfs/dbraw/zinc/58/39/50/573583950.db2.gz QJZILHCRKGCWHC-GFCCVEGCSA-N 1 3 196.338 1.707 10 30 ADEEHO C#CCN(CCC)C[C@H](C[NH3+])CCC 130443872 573586252 /nfs/dbraw/zinc/58/62/52/573586252.db2.gz QJZILHCRKGCWHC-LBPRGKRZSA-N 1 3 196.338 1.707 10 30 ADEEHO C#CCCCC[NH2+][C@@H]1CCNC[C@H]1C 308641290 573590457 /nfs/dbraw/zinc/59/04/57/573590457.db2.gz DFISKQASACMLBI-VXGBXAGGSA-N 1 3 194.322 1.378 10 30 ADEEHO C#CCCCC[NH2+][C@H]1CCNC[C@@H]1C 308641289 573590695 /nfs/dbraw/zinc/59/06/95/573590695.db2.gz DFISKQASACMLBI-RYUDHWBXSA-N 1 3 194.322 1.378 10 30 ADEEHO C[C@@H](C#N)CNC1CCC([NH3+])CC1 86729839 573592661 /nfs/dbraw/zinc/59/26/61/573592661.db2.gz LRTQAFCPTITUDR-IDKOKCKLSA-N 1 3 181.283 1.006 10 30 ADEEHO C[C@H](C#N)CNC1CCC([NH3+])CC1 86729837 573594350 /nfs/dbraw/zinc/59/43/50/573594350.db2.gz LRTQAFCPTITUDR-XNWIYYODSA-N 1 3 181.283 1.006 10 30 ADEEHO CC(C)[N@@H+]1CCC[C@@H]1CC#CCN 258070778 573598097 /nfs/dbraw/zinc/59/80/97/573598097.db2.gz FHEYJSUFAZOJQE-NSHDSACASA-N 1 3 180.295 1.211 10 30 ADEEHO CC(C)[N@H+]1CCC[C@@H]1CC#CCN 258070778 573598101 /nfs/dbraw/zinc/59/81/01/573598101.db2.gz FHEYJSUFAZOJQE-NSHDSACASA-N 1 3 180.295 1.211 10 30 ADEEHO C#CCCC[N@H+]1CCCC[C@H](CN)C1 308648252 573601924 /nfs/dbraw/zinc/60/19/24/573601924.db2.gz INGLDNHAKOPCEI-GFCCVEGCSA-N 1 3 194.322 1.461 10 30 ADEEHO C#CCCC[N@@H+]1CCCC[C@H](CN)C1 308648252 573601928 /nfs/dbraw/zinc/60/19/28/573601928.db2.gz INGLDNHAKOPCEI-GFCCVEGCSA-N 1 3 194.322 1.461 10 30 ADEEHO C=C(C)CCN1CCCO[C@H](C[NH3+])C1 313399282 573602569 /nfs/dbraw/zinc/60/25/69/573602569.db2.gz RWVAOUQPMDPXSK-LLVKDONJSA-N 1 3 198.310 1.002 10 30 ADEEHO CC[C@@H](C#N)[C@@H](N)C1CC[NH+](C)CC1 259537156 573638398 /nfs/dbraw/zinc/63/83/98/573638398.db2.gz TXFBOPMVVAEDON-GXSJLCMTSA-N 1 3 195.310 1.205 10 30 ADEEHO CC[C@H](C#N)[C@@H](N)C1CC[NH+](C)CC1 259537158 573638892 /nfs/dbraw/zinc/63/88/92/573638892.db2.gz TXFBOPMVVAEDON-MWLCHTKSSA-N 1 3 195.310 1.205 10 30 ADEEHO C=CCC[C@H](C)[N@H+](C)CCCN 308413043 573679303 /nfs/dbraw/zinc/67/93/03/573679303.db2.gz PKMLTDLLRSBDDI-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCC[C@H](C)[N@@H+](C)CCCN 308413043 573679310 /nfs/dbraw/zinc/67/93/10/573679310.db2.gz PKMLTDLLRSBDDI-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCC[C@H](C)N(C)CCC[NH3+] 308413043 573679313 /nfs/dbraw/zinc/67/93/13/573679313.db2.gz PKMLTDLLRSBDDI-JTQLQIEISA-N 1 3 170.300 1.622 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1C[C@H](CN)C[C@@H]1C 714995576 573686583 /nfs/dbraw/zinc/68/65/83/573686583.db2.gz HUZXPSPXXSIMBE-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C=CC[C@H](C)[N@H+]1C[C@H](CN)C[C@@H]1C 714995576 573686588 /nfs/dbraw/zinc/68/65/88/573686588.db2.gz HUZXPSPXXSIMBE-DCAQKATOSA-N 1 3 182.311 1.620 10 30 ADEEHO C#CCN(CC=C)C[C@@H]1CC[C@H]([NH3+])C1 308689022 573707243 /nfs/dbraw/zinc/70/72/43/573707243.db2.gz QTOVEAGWACBTSS-NEPJUHHUSA-N 1 3 192.306 1.235 10 30 ADEEHO CC(C)[N@@H+]1CC[C@@H](CC#CCN)C1 258094796 573714204 /nfs/dbraw/zinc/71/42/04/573714204.db2.gz GQSMKSIOCYZXQD-LLVKDONJSA-N 1 3 180.295 1.069 10 30 ADEEHO CC(C)[N@H+]1CC[C@@H](CC#CCN)C1 258094796 573714211 /nfs/dbraw/zinc/71/42/11/573714211.db2.gz GQSMKSIOCYZXQD-LLVKDONJSA-N 1 3 180.295 1.069 10 30 ADEEHO C#CCN(CCC)[C@H]1CC[C@@H]1C[NH3+] 130955843 573714573 /nfs/dbraw/zinc/71/45/73/573714573.db2.gz JIOFAGLFHYSWTE-MNOVXSKESA-N 1 3 180.295 1.069 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@H]1C 393668574 573744659 /nfs/dbraw/zinc/74/46/59/573744659.db2.gz PJFUXHWKHKAGFZ-WOPDTQHZSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[N@H+](CC)C[C@H]1C 393668574 573744665 /nfs/dbraw/zinc/74/46/65/573744665.db2.gz PJFUXHWKHKAGFZ-WOPDTQHZSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@@H]1C 393668573 573746412 /nfs/dbraw/zinc/74/64/12/573746412.db2.gz PJFUXHWKHKAGFZ-SRVKXCTJSA-N 1 3 196.338 1.881 10 30 ADEEHO C=C[C@H](C)N[C@H]1CC[N@H+](CC)C[C@@H]1C 393668573 573746414 /nfs/dbraw/zinc/74/64/14/573746414.db2.gz PJFUXHWKHKAGFZ-SRVKXCTJSA-N 1 3 196.338 1.881 10 30 ADEEHO C#CCN(CC=C)CCCCCC[NH3+] 308707298 573754559 /nfs/dbraw/zinc/75/45/59/573754559.db2.gz XEWPEMVBAYVACI-UHFFFAOYSA-N 1 3 194.322 1.627 10 30 ADEEHO C#CC[C@H](CC)[NH2+][C@H]1CCNC[C@@H]1C 308710782 573768126 /nfs/dbraw/zinc/76/81/26/573768126.db2.gz YSFMEMZMJLJRNX-SRVKXCTJSA-N 1 3 194.322 1.376 10 30 ADEEHO C#CC[C@H](CC)[NH2+][C@@H]1CCNC[C@H]1C 308710780 573769328 /nfs/dbraw/zinc/76/93/28/573769328.db2.gz YSFMEMZMJLJRNX-GRYCIOLGSA-N 1 3 194.322 1.376 10 30 ADEEHO C#CC[C@H](CC)[NH2+][C@H]1CCNC[C@H]1C 308710783 573769915 /nfs/dbraw/zinc/76/99/15/573769915.db2.gz YSFMEMZMJLJRNX-WOPDTQHZSA-N 1 3 194.322 1.376 10 30 ADEEHO CC(CCN(C)C)=[NH+]n1cccc1 308438997 573804461 /nfs/dbraw/zinc/80/44/61/573804461.db2.gz YAHALFCDMYATLY-UHFFFAOYSA-N 1 3 179.267 1.664 10 30 ADEEHO C=C(C[NH2+]C)[C@H]1CCCN1C(C)C 258136342 573807537 /nfs/dbraw/zinc/80/75/37/573807537.db2.gz JHBXRSSORBDMTN-LLVKDONJSA-N 1 3 182.311 1.635 10 30 ADEEHO CC(C)[N@@H+]1CCC[C@@H](CC#CCN)C1 258149065 573823449 /nfs/dbraw/zinc/82/34/49/573823449.db2.gz KFKZOYLLFHAAQC-GFCCVEGCSA-N 1 3 194.322 1.459 10 30 ADEEHO CC(C)[N@H+]1CCC[C@@H](CC#CCN)C1 258149065 573823452 /nfs/dbraw/zinc/82/34/52/573823452.db2.gz KFKZOYLLFHAAQC-GFCCVEGCSA-N 1 3 194.322 1.459 10 30 ADEEHO C#C[C@@H](C)NC(C[NH3+])(C(C)C)C(C)C 308451840 573847580 /nfs/dbraw/zinc/84/75/80/573847580.db2.gz COKSXONIOUBZDN-LLVKDONJSA-N 1 3 196.338 1.607 10 30 ADEEHO C=CCN(CC)C[C@H](C[NH3+])CCC 131513761 573865162 /nfs/dbraw/zinc/86/51/62/573865162.db2.gz ICIGHIOCDMEMOY-NSHDSACASA-N 1 3 184.327 1.869 10 30 ADEEHO C=CCN(CC)CCC(C)(C)[NH3+] 131498404 573865509 /nfs/dbraw/zinc/86/55/09/573865509.db2.gz BNQILLCTPGEEIX-UHFFFAOYSA-N 1 3 170.300 1.622 10 30 ADEEHO C=CCN(CC)C[C@@H](C[NH3+])CCC 131513957 573865599 /nfs/dbraw/zinc/86/55/99/573865599.db2.gz ICIGHIOCDMEMOY-LLVKDONJSA-N 1 3 184.327 1.869 10 30 ADEEHO C=CCN(CC)C[C@H]1CCC[C@@H]1[NH3+] 131498158 573865941 /nfs/dbraw/zinc/86/59/41/573865941.db2.gz YGXUIISEGHDGRO-MNOVXSKESA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN(CC)CC1(C[NH3+])CC1 131507446 573867193 /nfs/dbraw/zinc/86/71/93/573867193.db2.gz IXMKMVIMUYJYMB-UHFFFAOYSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CC[N@@H+](CC)CC1(CN)CC1 131507446 573867200 /nfs/dbraw/zinc/86/72/00/573867200.db2.gz IXMKMVIMUYJYMB-UHFFFAOYSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CC[N@H+](CC)CC1(CN)CC1 131507446 573867205 /nfs/dbraw/zinc/86/72/05/573867205.db2.gz IXMKMVIMUYJYMB-UHFFFAOYSA-N 1 3 168.284 1.233 10 30 ADEEHO C=CCN(CC)C[C@@H]1CCC[C@@H]1[NH3+] 131497961 573867305 /nfs/dbraw/zinc/86/73/05/573867305.db2.gz YGXUIISEGHDGRO-QWRGUYRKSA-N 1 3 182.311 1.622 10 30 ADEEHO C=CCN(C)CC(CC)(CC)C[NH3+] 131463841 573875911 /nfs/dbraw/zinc/87/59/11/573875911.db2.gz QEBDZCHDNAIINK-UHFFFAOYSA-N 1 3 184.327 1.869 10 30 ADEEHO C=CCN(C)C[C@@H](C[NH3+])C(C)C 131475658 573884325 /nfs/dbraw/zinc/88/43/25/573884325.db2.gz GTNCGGMOPGFKPR-SNVBAGLBSA-N 1 3 170.300 1.335 10 30 ADEEHO C=CCN(C[C@H]1CC[NH2+][C@H]1C)C(C)C 131620526 573891204 /nfs/dbraw/zinc/89/12/04/573891204.db2.gz BNLMZVXPNVNIAW-NWDGAFQWSA-N 1 3 196.338 1.881 10 30 ADEEHO C=CC[C@H](C)N1CCC(C)([NH3+])CC1 715052041 573899109 /nfs/dbraw/zinc/89/91/09/573899109.db2.gz GSMUMTFTEXFIGR-JTQLQIEISA-N 1 3 182.311 1.764 10 30 ADEEHO C=CCN(C[C@@H](C[NH3+])C(C)C)C1CC1 131690484 573902653 /nfs/dbraw/zinc/90/26/53/573902653.db2.gz PJXYFRQWHMTXMF-LLVKDONJSA-N 1 3 196.338 1.868 10 30 ADEEHO C=CCN(CCC)C[C@H]1C[NH2+]C[C@@H]1C 131560157 573903174 /nfs/dbraw/zinc/90/31/74/573903174.db2.gz YZQWBIFXWKBABP-NWDGAFQWSA-N 1 3 196.338 1.740 10 30 ADEEHO C=CCN(C[C@@H]1CCC[C@@H]1[NH3+])C1CC1 131653752 573914441 /nfs/dbraw/zinc/91/44/41/573914441.db2.gz NWHYVATUOQNNII-JQWIXIFHSA-N 1 3 194.322 1.764 10 30 ADEEHO CN[C@@H](CCC#N)[C@@H]1CCC[N@H+](C)C1 259240800 573926805 /nfs/dbraw/zinc/92/68/05/573926805.db2.gz GUUIBHPWFNFKDW-MNOVXSKESA-N 1 3 195.310 1.220 10 30 ADEEHO CN[C@@H](CCC#N)[C@@H]1CCC[N@@H+](C)C1 259240800 573926811 /nfs/dbraw/zinc/92/68/11/573926811.db2.gz GUUIBHPWFNFKDW-MNOVXSKESA-N 1 3 195.310 1.220 10 30 ADEEHO C=CC[C@H](C)[N@@H+]1CC[C@@](C)(CNC)C1 715069366 573927025 /nfs/dbraw/zinc/92/70/25/573927025.db2.gz MRCPKPYTKJOOEK-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@H](C)[N@H+]1CC[C@@](C)(CNC)C1 715069366 573927030 /nfs/dbraw/zinc/92/70/30/573927030.db2.gz MRCPKPYTKJOOEK-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CC[C@H](C)N1CC[C@@](C)(C[NH2+]C)C1 715069366 573927034 /nfs/dbraw/zinc/92/70/34/573927034.db2.gz MRCPKPYTKJOOEK-RYUDHWBXSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCN1CC[C@@H]([NH3+])CC1(C)C 259294312 574040015 /nfs/dbraw/zinc/04/00/15/574040015.db2.gz HGHIOYJOTCCRNE-SECBINFHSA-N 1 3 168.284 1.374 10 30 ADEEHO C=CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 84447650 630079561 /nfs/dbraw/zinc/07/95/61/630079561.db2.gz NTARPFOFCWEPQN-SNVBAGLBSA-N 1 3 182.311 1.635 10 30 ADEEHO C=CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 84447650 630079566 /nfs/dbraw/zinc/07/95/66/630079566.db2.gz NTARPFOFCWEPQN-SNVBAGLBSA-N 1 3 182.311 1.635 10 30 ADEEHO N#CCCC[NH2+][C@@H]1C[C@H](N)C12CCC2 925635587 631046334 /nfs/dbraw/zinc/04/63/34/631046334.db2.gz RXIYCBSRIYUKQF-VHSXEESVSA-N 1 3 193.294 1.150 10 30 ADEEHO C=C(C)CC[NH2+][C@@H]1CCNC12CCC2 925681967 631046481 /nfs/dbraw/zinc/04/64/81/631046481.db2.gz RFRJZAQXSFVQNU-LLVKDONJSA-N 1 3 194.322 1.827 10 30 ADEEHO C=C(C)CC[NH2+][C@H]1CCNC12CCC2 925681969 631046759 /nfs/dbraw/zinc/04/67/59/631046759.db2.gz RFRJZAQXSFVQNU-NSHDSACASA-N 1 3 194.322 1.827 10 30 ADEEHO N#CCCC[NH2+][C@H]1C[C@H](N)C12CCC2 925635586 631047935 /nfs/dbraw/zinc/04/79/35/631047935.db2.gz RXIYCBSRIYUKQF-UWVGGRQHSA-N 1 3 193.294 1.150 10 30 ADEEHO N#CCCC[NH2+][C@H]1C[C@@H](N)C12CCC2 925635588 631048391 /nfs/dbraw/zinc/04/83/91/631048391.db2.gz RXIYCBSRIYUKQF-ZJUUUORDSA-N 1 3 193.294 1.150 10 30 ADEEHO N#CCCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 925635585 631048529 /nfs/dbraw/zinc/04/85/29/631048529.db2.gz RXIYCBSRIYUKQF-NXEZZACHSA-N 1 3 193.294 1.150 10 30 ADEEHO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 925782995 631052799 /nfs/dbraw/zinc/05/27/99/631052799.db2.gz AHYJUWCBMJGQNF-WISYIIOYSA-N 1 3 196.338 1.785 10 30 ADEEHO C=CCC[C@H](CC)[NH2+][C@@H]1CNC[C@H]1C 925785043 631052834 /nfs/dbraw/zinc/05/28/34/631052834.db2.gz ITTOYUHWDBPFJF-GRYCIOLGSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CCC[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1C 925785044 631053537 /nfs/dbraw/zinc/05/35/37/631053537.db2.gz ITTOYUHWDBPFJF-IJLUTSLNSA-N 1 3 196.338 1.929 10 30 ADEEHO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 925782992 631053701 /nfs/dbraw/zinc/05/37/01/631053701.db2.gz AHYJUWCBMJGQNF-DDHJBXDOSA-N 1 3 196.338 1.785 10 30 ADEEHO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C 925782993 631054594 /nfs/dbraw/zinc/05/45/94/631054594.db2.gz AHYJUWCBMJGQNF-IRCOFANPSA-N 1 3 196.338 1.785 10 30 ADEEHO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 925782994 631055062 /nfs/dbraw/zinc/05/50/62/631055062.db2.gz AHYJUWCBMJGQNF-WHOHXGKFSA-N 1 3 196.338 1.785 10 30 ADEEHO C=CCC[NH+]1CCC(C)(N(C)C)CC1 931351514 631122182 /nfs/dbraw/zinc/12/21/82/631122182.db2.gz PKKULYXUVKPYOR-UHFFFAOYSA-N 1 3 196.338 1.979 10 30 ADEEHO CCN(CCC#N)CC1CC[NH2+]CC1 86703157 1224179751 /nfs/dbraw/zinc/17/97/51/1224179751.db2.gz IXUKTLCNGYZUIL-UHFFFAOYSA-N 1 3 195.310 1.222 10 30 ADEEHO C=CC[NH2+]C1CCN(CC(C)C)CC1 219287350 1224219224 /nfs/dbraw/zinc/21/92/24/1224219224.db2.gz PIENTJNVLVSMJC-UHFFFAOYSA-N 1 3 196.338 1.882 10 30 ADEEHO C=CCCCN[C@@H]1CCC[NH2+]C1 393313432 1224332957 /nfs/dbraw/zinc/33/29/57/1224332957.db2.gz CDEZDZPEHITUSZ-SNVBAGLBSA-N 1 3 168.284 1.294 10 30 ADEEHO C=CCCCN[C@H]1CCC[NH2+]C1 393313431 1224333334 /nfs/dbraw/zinc/33/33/34/1224333334.db2.gz CDEZDZPEHITUSZ-JTQLQIEISA-N 1 3 168.284 1.294 10 30 ADEEHO CCN(CC)CC#CC1CC[NH2+]CC1 307642671 528081528 /nfs/dbraw/zinc/08/15/28/528081528.db2.gz KHIZCQIFQBXWNJ-UHFFFAOYSA-N 1 3 194.322 1.331 10 30 ADEEHO