smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCC2(CC[NH2+]C2)CC1 84446476 534847258 /nfs/dbraw/zinc/84/72/58/534847258.db2.gz HVYXZDGKQZPDOY-UHFFFAOYSA-N 2 0 180.295 1.248 10 30 ADEERP C=CC[NH+]1CCC([C@@H](C)[NH3+])CC1 82474913 534847499 /nfs/dbraw/zinc/84/74/99/534847499.db2.gz FTNDVQOPXFYBJN-SECBINFHSA-N 2 0 168.284 1.232 10 30 ADEERP C#CCC1([NH3+])CC[NH+](C(C)C)CC1 675074533 537790789 /nfs/dbraw/zinc/79/07/89/537790789.db2.gz YRHWUISYISHQKA-UHFFFAOYSA-N 2 0 180.295 1.211 10 30 ADEERP C=CCCCC[NH2+][C@@H]1CN(C)C[C@@H]1C 389271902 538440197 /nfs/dbraw/zinc/44/01/97/538440197.db2.gz MCOVYVXNSIBVLH-NWDGAFQWSA-N 2 0 196.338 1.882 10 30 ADEERP C=CCCCC[NH2+][C@H]1CN(C)C[C@@H]1C 389271904 538440608 /nfs/dbraw/zinc/44/06/08/538440608.db2.gz MCOVYVXNSIBVLH-RYUDHWBXSA-N 2 0 196.338 1.882 10 30 ADEERP C=CCCCC[NH2+][C@@H]1CN(C)C[C@H]1C 389271905 538440678 /nfs/dbraw/zinc/44/06/78/538440678.db2.gz MCOVYVXNSIBVLH-VXGBXAGGSA-N 2 0 196.338 1.882 10 30 ADEERP C=C(C)CN(C)C[C@H]1[NH2+]CCC[C@@H]1C 235544197 571979398 /nfs/dbraw/zinc/97/93/98/571979398.db2.gz OPBKHHDXDRZBIY-NWDGAFQWSA-N 2 0 196.338 1.882 10 30 ADEERP C=CCN(C)C[C@H]1[NH2+]CCC[C@@H]1C 235544428 571979939 /nfs/dbraw/zinc/97/99/39/571979939.db2.gz JIUGNMRLTFALKO-WDEREUQCSA-N 2 0 182.311 1.492 10 30 ADEERP C=CC[N@@H+](C)CC[C@H](C)CC[NH3+] 393444915 571992938 /nfs/dbraw/zinc/99/29/38/571992938.db2.gz FZFQVJFSJAATMB-SNVBAGLBSA-N 2 0 170.300 1.479 10 30 ADEERP C=C(C)C[N@H+]1CCC[C@@H](C[NH2+]CC)C1 82645848 572079263 /nfs/dbraw/zinc/07/92/63/572079263.db2.gz VVJFAZCKUYUVPV-LBPRGKRZSA-N 2 0 196.338 1.884 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 405417332 757197540 /nfs/dbraw/zinc/19/75/40/757197540.db2.gz WPCDMBCZADLRAM-GUBZILKMSA-N 2 0 182.311 1.666 10 30 ADEERP C=C(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 405429537 757197943 /nfs/dbraw/zinc/19/79/43/757197943.db2.gz AOIDLZOGUGGJTO-GHMZBOCLSA-N 2 0 194.322 1.812 10 30 ADEERP C=C(CC)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 405449052 757200532 /nfs/dbraw/zinc/20/05/32/757200532.db2.gz GDCFYQMTWASIRL-QWRGUYRKSA-N 2 0 194.322 1.812 10 30 ADEERP C=CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 405395872 757200688 /nfs/dbraw/zinc/20/06/88/757200688.db2.gz ILMAXYHSGHRCBE-VHSXEESVSA-N 2 0 180.295 1.422 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 405254761 757200888 /nfs/dbraw/zinc/20/08/88/757200888.db2.gz KAAPEMASNIJIRX-AXFHLTTASA-N 2 0 194.322 1.811 10 30 ADEERP C=CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 405395868 757203384 /nfs/dbraw/zinc/20/33/84/757203384.db2.gz ILMAXYHSGHRCBE-NXEZZACHSA-N 2 0 180.295 1.422 10 30 ADEERP C=C(C)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 405429539 757204780 /nfs/dbraw/zinc/20/47/80/757204780.db2.gz AOIDLZOGUGGJTO-MNOVXSKESA-N 2 0 194.322 1.812 10 30 ADEERP C=C(C)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 405429544 757205039 /nfs/dbraw/zinc/20/50/39/757205039.db2.gz AOIDLZOGUGGJTO-WDEREUQCSA-N 2 0 194.322 1.812 10 30 ADEERP C=C(CC)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 405449051 757205233 /nfs/dbraw/zinc/20/52/33/757205233.db2.gz GDCFYQMTWASIRL-MNOVXSKESA-N 2 0 194.322 1.812 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405417336 757205612 /nfs/dbraw/zinc/20/56/12/757205612.db2.gz WPCDMBCZADLRAM-LPEHRKFASA-N 2 0 182.311 1.666 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 405254762 757205679 /nfs/dbraw/zinc/20/56/79/757205679.db2.gz KAAPEMASNIJIRX-DCAQKATOSA-N 2 0 194.322 1.811 10 30 ADEERP C=CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 405395873 757206279 /nfs/dbraw/zinc/20/62/79/757206279.db2.gz ILMAXYHSGHRCBE-ZJUUUORDSA-N 2 0 180.295 1.422 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405417334 757206545 /nfs/dbraw/zinc/20/65/45/757206545.db2.gz WPCDMBCZADLRAM-IVZWLZJFSA-N 2 0 182.311 1.666 10 30 ADEERP C=C(C)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 405429541 757209468 /nfs/dbraw/zinc/20/94/68/757209468.db2.gz AOIDLZOGUGGJTO-QWRGUYRKSA-N 2 0 194.322 1.812 10 30 ADEERP C=C(CC)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 405449054 757209572 /nfs/dbraw/zinc/20/95/72/757209572.db2.gz GDCFYQMTWASIRL-WDEREUQCSA-N 2 0 194.322 1.812 10 30 ADEERP C=CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 405395870 757209855 /nfs/dbraw/zinc/20/98/55/757209855.db2.gz ILMAXYHSGHRCBE-UWVGGRQHSA-N 2 0 180.295 1.422 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 405254763 757210246 /nfs/dbraw/zinc/21/02/46/757210246.db2.gz KAAPEMASNIJIRX-GARJFASQSA-N 2 0 194.322 1.811 10 30 ADEERP C=C(CC)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 405449049 757210477 /nfs/dbraw/zinc/21/04/77/757210477.db2.gz GDCFYQMTWASIRL-GHMZBOCLSA-N 2 0 194.322 1.812 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 405254764 757212316 /nfs/dbraw/zinc/21/23/16/757212316.db2.gz KAAPEMASNIJIRX-HBNTYKKESA-N 2 0 194.322 1.811 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 405417330 757212341 /nfs/dbraw/zinc/21/23/41/757212341.db2.gz WPCDMBCZADLRAM-AEJSXWLSSA-N 2 0 182.311 1.666 10 30 ADEERP C=CCCC[N@H+]1CC[C@@](C)([NH3+])C1 405855277 757224350 /nfs/dbraw/zinc/22/43/50/757224350.db2.gz ZPATWQAGYKVAQS-SNVBAGLBSA-N 2 0 168.284 1.376 10 30 ADEERP C=CCCC[N@H+]1CC[C@](C)([NH3+])C1 405855275 757230139 /nfs/dbraw/zinc/23/01/39/757230139.db2.gz ZPATWQAGYKVAQS-JTQLQIEISA-N 2 0 168.284 1.376 10 30 ADEERP C#CC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC1(C)C 300796352 572224904 /nfs/dbraw/zinc/22/49/04/572224904.db2.gz DTBACCBKCVMSIM-MNOVXSKESA-N 2 0 194.322 1.376 10 30 ADEERP C=CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 693578916 757396664 /nfs/dbraw/zinc/39/66/64/757396664.db2.gz LWKBTJCTIZKTHR-AOOOYVTPSA-N 2 0 180.295 1.374 10 30 ADEERP C=CC[NH+](CC=C)C[C@H]1C[C@@H]([NH3+])C1 693580730 757396863 /nfs/dbraw/zinc/39/68/63/757396863.db2.gz UHPBYLCWAHLHJS-PHIMTYICSA-N 2 0 180.295 1.398 10 30 ADEERP C=CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)C 693584622 757398420 /nfs/dbraw/zinc/39/84/20/757398420.db2.gz DKUOPZWIKLWRBX-PHIMTYICSA-N 2 0 182.311 1.620 10 30 ADEERP C=CCCC[NH2+]C[C@H]1CC[N@@H+](C)C1 70591697 572239728 /nfs/dbraw/zinc/23/97/28/572239728.db2.gz NGLSIUMTLODADZ-LLVKDONJSA-N 2 0 182.311 1.494 10 30 ADEERP C=CCC[NH2+]CCC[NH+](CC)CC 70591391 572240816 /nfs/dbraw/zinc/24/08/16/572240816.db2.gz CMKCGDQQIANCBU-UHFFFAOYSA-N 2 0 184.327 1.884 10 30 ADEERP C=CC[N@@H+](C)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 699301612 757465864 /nfs/dbraw/zinc/46/58/64/757465864.db2.gz PVFJOOCIIOQCEY-YOGCLGLASA-N 2 0 194.322 1.635 10 30 ADEERP CC#CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 307605514 572635336 /nfs/dbraw/zinc/63/53/36/572635336.db2.gz YNSNLGGXBKMTND-NSHDSACASA-N 2 0 180.295 1.071 10 30 ADEERP C=C(C)C[N@@H+]1CC[C@](C)(C[NH3+])C1 307662637 572676484 /nfs/dbraw/zinc/67/64/84/572676484.db2.gz YGSBALBNXFMCSL-SNVBAGLBSA-N 2 0 168.284 1.233 10 30 ADEERP C=CCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 885387099 757517344 /nfs/dbraw/zinc/51/73/44/757517344.db2.gz PMIOOZCQVTVBEP-NSHDSACASA-N 2 0 180.295 1.390 10 30 ADEERP C=CCC[N@@H+]1CCC[C@]12CC[NH2+]C2 885387098 757526340 /nfs/dbraw/zinc/52/63/40/757526340.db2.gz PMIOOZCQVTVBEP-LLVKDONJSA-N 2 0 180.295 1.390 10 30 ADEERP C=C(CC)C[NH2+]C1CC([NH3+])C1 307739262 572793981 /nfs/dbraw/zinc/79/39/81/572793981.db2.gz KIBNSNUTTPUUEY-UHFFFAOYSA-N 2 0 154.257 1.032 10 30 ADEERP C=CCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C 308134688 572814447 /nfs/dbraw/zinc/81/44/47/572814447.db2.gz NCZMUCCKADKDIC-MNOVXSKESA-N 2 0 182.311 1.540 10 30 ADEERP C=CC[NH+]1C[C@@H]2C[N@H+](C)CC[C@H]2C1 306973894 572820457 /nfs/dbraw/zinc/82/04/57/572820457.db2.gz XRLHSWPPNMACEE-QWRGUYRKSA-N 2 0 180.295 1.056 10 30 ADEERP C#C[C@](C)(CC)N1CC[C@@H]([NH2+]C)C1 306998953 572831025 /nfs/dbraw/zinc/83/10/25/572831025.db2.gz YSLCDEIBQCISDL-GHMZBOCLSA-N 2 0 180.295 1.082 10 30 ADEERP C[N@H+](CCCC#N)C1CCC([NH3+])CC1 85870046 572831101 /nfs/dbraw/zinc/83/11/01/572831101.db2.gz XQMCVXNDGPOHAF-UHFFFAOYSA-N 2 0 195.310 1.492 10 30 ADEERP C[C@H](C[NH3+])N(C)CC#CC(C)(C)C 307077332 572872366 /nfs/dbraw/zinc/87/23/66/572872366.db2.gz LZNKBPJKVLGMSD-SNVBAGLBSA-N 2 0 182.311 1.315 10 30 ADEERP C#CCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307066908 572895557 /nfs/dbraw/zinc/89/55/57/572895557.db2.gz WOYIVESSXQQJOD-RYUDHWBXSA-N 2 0 192.306 1.084 10 30 ADEERP C=CCC[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 308181472 572902398 /nfs/dbraw/zinc/90/23/98/572902398.db2.gz HLZMDVLVTZRYOG-WDEREUQCSA-N 2 0 182.311 1.622 10 30 ADEERP C=CCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 308204421 572933845 /nfs/dbraw/zinc/93/38/45/572933845.db2.gz XNCLYOBHQBNNSV-MNOVXSKESA-N 2 0 182.311 1.350 10 30 ADEERP C=CCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 308204422 572933870 /nfs/dbraw/zinc/93/38/70/572933870.db2.gz XNCLYOBHQBNNSV-QWRGUYRKSA-N 2 0 182.311 1.350 10 30 ADEERP CC[NH+]1CCC(CC#CC[NH3+])CC1 258208044 572996042 /nfs/dbraw/zinc/99/60/42/572996042.db2.gz NVIKGUXIOTUENO-UHFFFAOYSA-N 2 0 180.295 1.071 10 30 ADEERP C=C(C[NH2+]C)C[C@@H]1CCC[N@H+]1CC 258212420 573001411 /nfs/dbraw/zinc/00/14/11/573001411.db2.gz ODNNYMMKFVHDKC-NSHDSACASA-N 2 0 182.311 1.636 10 30 ADEERP C[NH2+]CC#CC1CC[NH+](C(C)C)CC1 258221759 573011323 /nfs/dbraw/zinc/01/13/23/573011323.db2.gz OWHILBORAQMZPQ-UHFFFAOYSA-N 2 0 194.322 1.330 10 30 ADEERP C=CC[N@H+]1CCC(C)(C)[C@@H](CC[NH3+])C1 259319346 573052872 /nfs/dbraw/zinc/05/28/72/573052872.db2.gz QTXAHQNGTVDTTG-NSHDSACASA-N 2 0 196.338 1.869 10 30 ADEERP C[C@H](C#N)C[NH+]1CCC([C@H](C)[NH3+])CC1 82475086 573061395 /nfs/dbraw/zinc/06/13/95/573061395.db2.gz LPKSVTAVHLFPMR-ZJUUUORDSA-N 2 0 195.310 1.205 10 30 ADEERP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)CC#N)CC1 82475100 573065353 /nfs/dbraw/zinc/06/53/53/573065353.db2.gz GOTHGXWMEQSDRT-UWVGGRQHSA-N 2 0 195.310 1.348 10 30 ADEERP C#CC[N@@H+](CCC)CC[C@@H]([NH3+])CCC 128678247 573087923 /nfs/dbraw/zinc/08/79/23/573087923.db2.gz HCWNCEBEWKFPDG-LBPRGKRZSA-N 2 0 196.338 1.849 10 30 ADEERP CC[N@@H+]1CCCC[C@H]1CC#CC[NH2+]C 258234155 573093971 /nfs/dbraw/zinc/09/39/71/573093971.db2.gz POGGOWQWVSVKBU-GFCCVEGCSA-N 2 0 194.322 1.474 10 30 ADEERP C=CC[N@@H+](C)Cc1cc(C)c(C[NH3+])o1 131957918 573121802 /nfs/dbraw/zinc/12/18/02/573121802.db2.gz KCUIXBGQEPGWCC-UHFFFAOYSA-N 2 0 194.278 1.665 10 30 ADEERP C#C[C@H](CCC)[NH2+][C@H](C)CCC[NH3+] 308214004 573128438 /nfs/dbraw/zinc/12/84/38/573128438.db2.gz YFLMNUBALSKGEH-GHMZBOCLSA-N 2 0 182.311 1.505 10 30 ADEERP C=CC[N@@H+](C)[C@@H]1CC[C@H]1C[NH2+]C 131988616 573134874 /nfs/dbraw/zinc/13/48/74/573134874.db2.gz RGMULFUHUFRNFI-VHSXEESVSA-N 2 0 168.284 1.102 10 30 ADEERP C=CCN(CC)[C@@H](C)C[NH2+]CC 132028734 573188979 /nfs/dbraw/zinc/18/89/79/573188979.db2.gz YMHRDEGOBFUBNI-JTQLQIEISA-N 2 0 170.300 1.492 10 30 ADEERP CCC/C(C)=N\CC[NH3+] 104685588 573192654 /nfs/dbraw/zinc/19/26/54/573192654.db2.gz ROJBJUISFDHPGC-CLFYSBASSA-N 2 0 128.219 1.206 10 30 ADEERP C=CC[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]C 132037042 573192674 /nfs/dbraw/zinc/19/26/74/573192674.db2.gz IWNHCWOJXRQWRH-GHMZBOCLSA-N 2 0 182.311 1.492 10 30 ADEERP C=CC[N@@H+](CCC)[C@H]1CC[C@@H]1C[NH2+]C 132073275 573198823 /nfs/dbraw/zinc/19/88/23/573198823.db2.gz QRTHKAUWMSBFOR-NEPJUHHUSA-N 2 0 196.338 1.882 10 30 ADEERP C=CC[N@@H+](CCC)[C@H](C)[C@@H](C)C[NH3+] 132084036 573208044 /nfs/dbraw/zinc/20/80/44/573208044.db2.gz NZXAJHMXFHZMMI-WDEREUQCSA-N 2 0 184.327 1.868 10 30 ADEERP C=CC[N@H+](C1CC1)[C@H](C)CCC[NH3+] 132126098 573220880 /nfs/dbraw/zinc/22/08/80/573220880.db2.gz NCFDNNXICKFJGJ-SNVBAGLBSA-N 2 0 182.311 1.764 10 30 ADEERP C=C(C[NH2+]CC)C[N@H+](C)C[C@@H]1C[C@H]1C 299966524 573224289 /nfs/dbraw/zinc/22/42/89/573224289.db2.gz SAVIIPFZHKJHPL-NEPJUHHUSA-N 2 0 196.338 1.740 10 30 ADEERP C=CC[N@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 132140530 573227743 /nfs/dbraw/zinc/22/77/43/573227743.db2.gz NEBAVQZXFNYDFP-ZYHUDNBSSA-N 2 0 194.322 1.635 10 30 ADEERP C[NH2+][C@H](CCC#N)C1CC[NH+](C)CC1 259394610 573255537 /nfs/dbraw/zinc/25/55/37/573255537.db2.gz MLAZXEQPRLFSID-LLVKDONJSA-N 2 0 195.310 1.220 10 30 ADEERP C[NH2+][C@@H](CCC#N)C1CC[NH+](C)CC1 259394616 573255739 /nfs/dbraw/zinc/25/57/39/573255739.db2.gz MLAZXEQPRLFSID-NSHDSACASA-N 2 0 195.310 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CC#CC[N@H+]1CCCC[C@@H]1CC[NH2+]C 69731265 572137585 /nfs/dbraw/zinc/13/75/85/572137585.db2.gz RIHKVIWPXGKRDA-GFCCVEGCSA-N 2 0 194.322 1.474 10 30 ADEERP C=C[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 69724326 572136452 /nfs/dbraw/zinc/13/64/52/572136452.db2.gz FWZINUQUXGMXQJ-GHMZBOCLSA-N 2 0 182.311 1.622 10 30 ADEERP C=C(C)C[NH+]1CCC(CC[NH2+]C)CC1 69730645 572136523 /nfs/dbraw/zinc/13/65/23/572136523.db2.gz PXYMXHJUOJZLGH-UHFFFAOYSA-N 2 0 196.338 1.884 10 30 ADEERP N#CCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 69724448 572136555 /nfs/dbraw/zinc/13/65/55/572136555.db2.gz UFTGIWSWTVSKNF-NSHDSACASA-N 2 0 195.310 1.351 10 30 ADEERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCC#N 69729176 572136570 /nfs/dbraw/zinc/13/65/70/572136570.db2.gz QAGFCYQTADOQKK-QWRGUYRKSA-N 2 0 195.310 1.349 10 30 ADEERP C=CC[N@H+]1CCCC[C@@H]1CC[NH2+]C 69731174 572136767 /nfs/dbraw/zinc/13/67/67/572136767.db2.gz HWWYNSQKMSGKHK-LLVKDONJSA-N 2 0 182.311 1.636 10 30 ADEERP C[C@H](C#N)C[NH+]1CCC(CC[NH3+])CC1 69729979 572136848 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C#C[C@H](CCC)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 300397347 572142830 /nfs/dbraw/zinc/14/28/30/572142830.db2.gz AZHMIXRVDRXDAT-GRYCIOLGSA-N 2 0 194.322 1.600 10 30 ADEERP C#CCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 69767898 572144302 /nfs/dbraw/zinc/14/43/02/572144302.db2.gz XCTINOASCVFVFH-WOPDTQHZSA-N 2 0 194.322 1.328 10 30 ADEERP C=C(C)C[N@H+](CC)CCCC[NH2+]C 37477919 572144415 /nfs/dbraw/zinc/14/44/15/572144415.db2.gz SZOZOBAUAQDEKY-UHFFFAOYSA-N 2 0 184.327 1.884 10 30 ADEERP C#CCC[N@H+]1CC[C@@H]([NH2+]CC)C[C@H]1C 69790748 572144670 /nfs/dbraw/zinc/14/46/70/572144670.db2.gz OKCXLYRMEFXUNL-VXGBXAGGSA-N 2 0 194.322 1.472 10 30 ADEERP C#CCC[N@@H+]1[C@H]2CC[C@@H]1CC([NH2+]C)C2 69791366 572144776 /nfs/dbraw/zinc/14/47/76/572144776.db2.gz IPZLQVUWHIMOOZ-YOGCLGLASA-N 2 0 192.306 1.225 10 30 ADEERP C#CCC[N@H+]1CC[C@H]([NH2+]CC)[C@@H](C)C1 69790700 572144877 /nfs/dbraw/zinc/14/48/77/572144877.db2.gz BICLPUBNPOYNOF-RYUDHWBXSA-N 2 0 194.322 1.330 10 30 ADEERP 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/nfs/dbraw/zinc/43/67/29/572436729.db2.gz KCEWHCVVFQPCPN-UHFFFAOYSA-N 2 0 190.356 1.286 10 30 ADEERP C#CC(C)(C)NCCC[NH+](CC)CC 238239316 572436762 /nfs/dbraw/zinc/43/67/62/572436762.db2.gz FXFRPNSIWQRTMI-UHFFFAOYSA-N 2 0 196.338 1.720 10 30 ADEERP C=CCC[N@H+]1[C@H]2CC[C@@H]1CC[NH2+]C2 307311352 572438152 /nfs/dbraw/zinc/43/81/52/572438152.db2.gz GBIBEKVVPFSGTL-MNOVXSKESA-N 2 0 180.295 1.389 10 30 ADEERP C=CC[NH2+][C@H](CN)CC1=CCCCC1 238805492 572444793 /nfs/dbraw/zinc/44/47/93/572444793.db2.gz IBWKDCCZVFJPQQ-LBPRGKRZSA-N 2 0 194.322 1.980 10 30 ADEERP C=CCC[N@H+]1CC[C@]2(CCC[C@H]2[NH3+])C1 307377162 572448366 /nfs/dbraw/zinc/44/83/66/572448366.db2.gz BXPVPKUMODSYEP-VXGBXAGGSA-N 2 0 194.322 1.766 10 30 ADEERP CC#CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307365572 572450275 /nfs/dbraw/zinc/45/02/75/572450275.db2.gz LCVGCRIHWQONPP-TUAOUCFPSA-N 2 0 194.322 1.315 10 30 ADEERP C#C[C@@H](C(C)C)[N@@H+]1CCC[NH2+][C@@H](C)C1 300915184 572454758 /nfs/dbraw/zinc/45/47/58/572454758.db2.gz MIBLVJFKOXLARB-RYUDHWBXSA-N 2 0 194.322 1.328 10 30 ADEERP C=CCCC[N@@H+](C)C/C=C/C[NH3+] 308027821 572456240 /nfs/dbraw/zinc/45/62/40/572456240.db2.gz XXYUEMDQUKFALP-FNORWQNLSA-N 2 0 168.284 1.399 10 30 ADEERP C=C1CC[NH+]([C@H](C)CC[NH3+])CC1 307348610 572458142 /nfs/dbraw/zinc/45/81/42/572458142.db2.gz YHZYRCBYHVEOGS-SNVBAGLBSA-N 2 0 168.284 1.376 10 30 ADEERP C=CCCC[N@@H+](C)C/C=C\C[NH3+] 308027820 572459036 /nfs/dbraw/zinc/45/90/36/572459036.db2.gz XXYUEMDQUKFALP-ALCCZGGFSA-N 2 0 168.284 1.399 10 30 ADEERP C=CCCN(C)[C@@H](C)C[NH2+]CC 308028686 572459941 /nfs/dbraw/zinc/45/99/41/572459941.db2.gz YHYBSVUUJOATQB-JTQLQIEISA-N 2 0 170.300 1.492 10 30 ADEERP C=CCCN(C)[C@H](C)C[NH2+]CC 308028693 572460173 /nfs/dbraw/zinc/46/01/73/572460173.db2.gz YHYBSVUUJOATQB-SNVBAGLBSA-N 2 0 170.300 1.492 10 30 ADEERP CC#CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307365573 572461742 /nfs/dbraw/zinc/46/17/42/572461742.db2.gz LCVGCRIHWQONPP-UTUOFQBUSA-N 2 0 194.322 1.315 10 30 ADEERP C#CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]12 307300281 572462077 /nfs/dbraw/zinc/46/20/77/572462077.db2.gz WAWOUPBPDPJQHN-QJPTWQEYSA-N 2 0 192.306 1.082 10 30 ADEERP C#CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 307300283 572463761 /nfs/dbraw/zinc/46/37/61/572463761.db2.gz WAWOUPBPDPJQHN-UTUOFQBUSA-N 2 0 192.306 1.082 10 30 ADEERP C=CC[C@@H]1[NH2+]C[C@@H]2C[C@H]1C[N@H+](C)C2 307375623 572464766 /nfs/dbraw/zinc/46/47/66/572464766.db2.gz USEYLFYVTQYTHT-DCAQKATOSA-N 2 0 180.295 1.102 10 30 ADEERP C#CCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 307310415 572465571 /nfs/dbraw/zinc/46/55/71/572465571.db2.gz FWHDHFXHIKOPCE-GFCCVEGCSA-N 2 0 192.306 1.085 10 30 ADEERP C#C[C@H](C(C)C)[N@@H+]1CCC[NH2+][C@H](C)C1 300915187 572465813 /nfs/dbraw/zinc/46/58/13/572465813.db2.gz MIBLVJFKOXLARB-VXGBXAGGSA-N 2 0 194.322 1.328 10 30 ADEERP C#C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C(C)C 300904586 572473455 /nfs/dbraw/zinc/47/34/55/572473455.db2.gz LGINQBALWYCNAP-NEPJUHHUSA-N 2 0 194.322 1.233 10 30 ADEERP C=CCN1CCC[C@H]2C[NH2+]CCC[C@@H]21 307316220 572475195 /nfs/dbraw/zinc/47/51/95/572475195.db2.gz JJVIWSJFWCRDGO-RYUDHWBXSA-N 2 0 194.322 1.636 10 30 ADEERP C=C(C)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 307378466 572477161 /nfs/dbraw/zinc/47/71/61/572477161.db2.gz DCJGDHYSMJSAPJ-NSHDSACASA-N 2 0 182.311 1.623 10 30 ADEERP CC#CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307365571 572479054 /nfs/dbraw/zinc/47/90/54/572479054.db2.gz LCVGCRIHWQONPP-SRVKXCTJSA-N 2 0 194.322 1.315 10 30 ADEERP CC#CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307365574 572479709 /nfs/dbraw/zinc/47/97/09/572479709.db2.gz LCVGCRIHWQONPP-WOPDTQHZSA-N 2 0 194.322 1.315 10 30 ADEERP C=C[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307377983 572482773 /nfs/dbraw/zinc/48/27/73/572482773.db2.gz WLLYHDDJHJZCAC-BJDJZHNGSA-N 2 0 196.338 1.866 10 30 ADEERP C=C(C)C[N@@H+]1CCCC[C@H](C[NH3+])C1 307378461 572483790 /nfs/dbraw/zinc/48/37/90/572483790.db2.gz DCJGDHYSMJSAPJ-LLVKDONJSA-N 2 0 182.311 1.623 10 30 ADEERP C=CCCC[NH2+][C@H](CN)CCC 308041377 572487217 /nfs/dbraw/zinc/48/72/17/572487217.db2.gz NQKRJYUVTBUEAI-JTQLQIEISA-N 2 0 170.300 1.670 10 30 ADEERP C#C[C@@H](CC)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 307465967 572488141 /nfs/dbraw/zinc/48/81/41/572488141.db2.gz JIEQQEURVKWOSC-WDEREUQCSA-N 2 0 194.322 1.457 10 30 ADEERP C=C1CC[NH+]([C@H](C)[C@H](C)C[NH3+])CC1 307442262 572491016 /nfs/dbraw/zinc/49/10/16/572491016.db2.gz SNBXPVIXCQJPRN-GHMZBOCLSA-N 2 0 182.311 1.622 10 30 ADEERP CCC/[NH+]=C/CCCCC[NH3+] 238267020 572491274 /nfs/dbraw/zinc/49/12/74/572491274.db2.gz CGHHMUZHXQUILT-PKNBQFBNSA-N 2 0 156.273 1.986 10 30 ADEERP C=C(C[NH3+])C[N@H+]1C[C@@H](C)CC1(C)C 307459596 572492736 /nfs/dbraw/zinc/49/27/36/572492736.db2.gz CIHGDJVABHTFAC-VIFPVBQESA-N 2 0 182.311 1.622 10 30 ADEERP C#CCC[N@H+]1CCCC[C@@H](C[NH3+])C1 307403589 572498938 /nfs/dbraw/zinc/49/89/38/572498938.db2.gz KJRLPNSKLRZUBA-NSHDSACASA-N 2 0 180.295 1.071 10 30 ADEERP C#CCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 307310426 572499082 /nfs/dbraw/zinc/49/90/82/572499082.db2.gz FWHDHFXHIKOPCE-LBPRGKRZSA-N 2 0 192.306 1.085 10 30 ADEERP C=C(C)C[N@H+]1[C@H]2CC[C@@H]1CC[NH2+]C2 307433542 572499330 /nfs/dbraw/zinc/49/93/30/572499330.db2.gz ZZCCJDIIVBQIMF-MNOVXSKESA-N 2 0 180.295 1.389 10 30 ADEERP CC/[NH+]=C/C(C)(C)C[NH2+]CC 238272752 572500746 /nfs/dbraw/zinc/50/07/46/572500746.db2.gz QPVPPKUEHYJJFU-JXMROGBWSA-N 2 0 156.273 1.713 10 30 ADEERP C=CC(C)(C)C[NH+]1CCC([NH3+])CC1 307441742 572504087 /nfs/dbraw/zinc/50/40/87/572504087.db2.gz NQTFXRMBMUZDNU-UHFFFAOYSA-N 2 0 182.311 1.622 10 30 ADEERP C=C[C@@H](C)[N@@H+](C)CCC[NH2+]C 87472571 572506186 /nfs/dbraw/zinc/50/61/86/572506186.db2.gz SLMLFBBUZJLABR-SECBINFHSA-N 2 0 156.273 1.102 10 30 ADEERP C=C(CC)C[N@H+](C)CCC[NH2+]C 87472796 572507296 /nfs/dbraw/zinc/50/72/96/572507296.db2.gz LHMOLFZWSHNBDB-UHFFFAOYSA-N 2 0 170.300 1.494 10 30 ADEERP C=C(C)C[N@@H+](C)CCC[NH2+]C 87472584 572507748 /nfs/dbraw/zinc/50/77/48/572507748.db2.gz JDVIHPJENJOYOW-UHFFFAOYSA-N 2 0 156.273 1.104 10 30 ADEERP C[NH2+]CCC[N@H+](C)CCCCC#N 87472552 572508306 /nfs/dbraw/zinc/50/83/06/572508306.db2.gz NJTNWXPWCQHKEI-UHFFFAOYSA-N 2 0 183.299 1.222 10 30 ADEERP CCN(CCC#N)[C@@H]1CCC[C@@H]1C[NH3+] 84214454 572512669 /nfs/dbraw/zinc/51/26/69/572512669.db2.gz XWKXLJCUKZXBOJ-GHMZBOCLSA-N 2 0 195.310 1.349 10 30 ADEERP C[C@H](CC#N)N(C)[C@@H]1CCC[C@@H]1C[NH3+] 84214019 572512972 /nfs/dbraw/zinc/51/29/72/572512972.db2.gz UGXANOJKKXLNLT-GMTAPVOTSA-N 2 0 195.310 1.348 10 30 ADEERP C#CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 84216946 572510830 /nfs/dbraw/zinc/51/08/30/572510830.db2.gz RFTPSDCZAKJGIG-WDEREUQCSA-N 2 0 180.295 1.117 10 30 ADEERP C[C@H](C#N)CN(C)[C@@H]1CCC[C@@H]1C[NH3+] 84214054 572511799 /nfs/dbraw/zinc/51/17/99/572511799.db2.gz ITKNNBDLHNUTCK-GMTAPVOTSA-N 2 0 195.310 1.205 10 30 ADEERP CCN(CCC#N)[C@H]1CCC[C@@H]1C[NH3+] 84214455 572511947 /nfs/dbraw/zinc/51/19/47/572511947.db2.gz XWKXLJCUKZXBOJ-MNOVXSKESA-N 2 0 195.310 1.349 10 30 ADEERP C#CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84216945 572511972 /nfs/dbraw/zinc/51/19/72/572511972.db2.gz RFTPSDCZAKJGIG-MNOVXSKESA-N 2 0 180.295 1.117 10 30 ADEERP CN(CCC#N)[C@H]1CCCC[C@@H]1C[NH3+] 84214789 572511982 /nfs/dbraw/zinc/51/19/82/572511982.db2.gz COBPGZXIOQIPSY-MNOVXSKESA-N 2 0 195.310 1.349 10 30 ADEERP CN(CCC#N)[C@@H]1CCCC[C@@H]1C[NH3+] 84214788 572512509 /nfs/dbraw/zinc/51/25/09/572512509.db2.gz COBPGZXIOQIPSY-GHMZBOCLSA-N 2 0 195.310 1.349 10 30 ADEERP C#C[C@H](CC)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 307465965 572512548 /nfs/dbraw/zinc/51/25/48/572512548.db2.gz JIEQQEURVKWOSC-MNOVXSKESA-N 2 0 194.322 1.457 10 30 ADEERP C#CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84216942 572512731 /nfs/dbraw/zinc/51/27/31/572512731.db2.gz RFTPSDCZAKJGIG-GHMZBOCLSA-N 2 0 180.295 1.117 10 30 ADEERP C#CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 84216948 572513175 /nfs/dbraw/zinc/51/31/75/572513175.db2.gz RFTPSDCZAKJGIG-QWRGUYRKSA-N 2 0 180.295 1.117 10 30 ADEERP C#C[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 307465964 572515622 /nfs/dbraw/zinc/51/56/22/572515622.db2.gz JIEQQEURVKWOSC-GHMZBOCLSA-N 2 0 194.322 1.457 10 30 ADEERP C=CCCCC[NH2+]C1CC([NH3+])C1 308046843 572516832 /nfs/dbraw/zinc/51/68/32/572516832.db2.gz PTWCPCDPXXBVLN-UHFFFAOYSA-N 2 0 168.284 1.422 10 30 ADEERP C#CCC[N@H+]1CCCC[C@H](C[NH3+])C1 307403588 572517737 /nfs/dbraw/zinc/51/77/37/572517737.db2.gz KJRLPNSKLRZUBA-LLVKDONJSA-N 2 0 180.295 1.071 10 30 ADEERP C=C(C[NH3+])C[N@H+]1C[C@H](C)CC1(C)C 307459591 572529057 /nfs/dbraw/zinc/52/90/57/572529057.db2.gz CIHGDJVABHTFAC-SECBINFHSA-N 2 0 182.311 1.622 10 30 ADEERP C[C@@H](C#N)N(C)CC1CC[NH+](C)CC1 63120749 572529319 /nfs/dbraw/zinc/52/93/19/572529319.db2.gz ONNMOACEBJBJQF-JTQLQIEISA-N 2 0 195.310 1.172 10 30 ADEERP C[C@H](C#N)N(C)CC1CC[NH+](C)CC1 63120750 572529957 /nfs/dbraw/zinc/52/99/57/572529957.db2.gz ONNMOACEBJBJQF-SNVBAGLBSA-N 2 0 195.310 1.172 10 30 ADEERP C=C[C@@H]1CCCCN1CC(C)(C)[NH3+] 307410387 572537349 /nfs/dbraw/zinc/53/73/49/572537349.db2.gz ORZFAAUNYRNANI-SNVBAGLBSA-N 2 0 182.311 1.764 10 30 ADEERP C=C(C)C[N@H+](CC)CC[C@@H]1CC[NH2+]C1 84384590 572538098 /nfs/dbraw/zinc/53/80/98/572538098.db2.gz QTHHIMQCNKPAMY-LBPRGKRZSA-N 2 0 196.338 1.884 10 30 ADEERP C=CC[NH2+][C@H](CN)[C@@H]1CCC[C@H](C)C1 84342799 572538285 /nfs/dbraw/zinc/53/82/85/572538285.db2.gz CJLWBBKNLNEHBI-QJPTWQEYSA-N 2 0 196.338 1.916 10 30 ADEERP C=CC[NH2+][C@H](CN)[C@H]1CCC[C@@H](C)C1 84342794 572538251 /nfs/dbraw/zinc/53/82/51/572538251.db2.gz CJLWBBKNLNEHBI-GRYCIOLGSA-N 2 0 196.338 1.916 10 30 ADEERP C=C(C)C[N@H+](CC)CC[C@H]1CC[NH2+]C1 84384594 572538394 /nfs/dbraw/zinc/53/83/94/572538394.db2.gz QTHHIMQCNKPAMY-GFCCVEGCSA-N 2 0 196.338 1.884 10 30 ADEERP C=CC[NH2+][C@H](CN)[C@H]1CCC[C@H](C)C1 84342795 572538893 /nfs/dbraw/zinc/53/88/93/572538893.db2.gz CJLWBBKNLNEHBI-SDDRHHMPSA-N 2 0 196.338 1.916 10 30 ADEERP C=CC[NH2+][C@H](CN)[C@@H]1CCC[C@@H](C)C1 84342796 572539634 /nfs/dbraw/zinc/53/96/34/572539634.db2.gz CJLWBBKNLNEHBI-IJLUTSLNSA-N 2 0 196.338 1.916 10 30 ADEERP C[NH+](C)CCCCC[NH2+]CCC#N 238297535 572543345 /nfs/dbraw/zinc/54/33/45/572543345.db2.gz OFWRPJUZECEYSW-UHFFFAOYSA-N 2 0 183.299 1.222 10 30 ADEERP C=C1CC[NH+](C[C@H]2C[NH2+]C[C@@H]2C)CC1 307584418 572543703 /nfs/dbraw/zinc/54/37/03/572543703.db2.gz IHCUVAUBZFCYPQ-NWDGAFQWSA-N 2 0 194.322 1.494 10 30 ADEERP C#CCC[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 307586901 572543866 /nfs/dbraw/zinc/54/38/66/572543866.db2.gz RFWOCDLBPQWLEC-VXGBXAGGSA-N 2 0 192.306 1.071 10 30 ADEERP C=CC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 307566158 572544215 /nfs/dbraw/zinc/54/42/15/572544215.db2.gz SGBDOVUYXMSMLG-QWRGUYRKSA-N 2 0 196.338 1.868 10 30 ADEERP C#CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307513775 572545624 /nfs/dbraw/zinc/54/56/24/572545624.db2.gz ZEZBDTFBMKPFTJ-WOPDTQHZSA-N 2 0 194.322 1.315 10 30 ADEERP C=C[C@@H](C)[N@@H+]1CCCC[C@H](C[NH3+])C1 307586825 572546593 /nfs/dbraw/zinc/54/65/93/572546593.db2.gz QVMZMBYMTLOZCB-GHMZBOCLSA-N 2 0 182.311 1.622 10 30 ADEERP C=C1CC[NH+](C[C@@H]2C[NH2+]C[C@@H]2C)CC1 307584419 572549162 /nfs/dbraw/zinc/54/91/62/572549162.db2.gz IHCUVAUBZFCYPQ-RYUDHWBXSA-N 2 0 194.322 1.494 10 30 ADEERP C=CC[NH+]1CC[C@@H]2C[N@H+](C)CC[C@H]21 307507237 572548087 /nfs/dbraw/zinc/54/80/87/572548087.db2.gz ZIZIFHQWSBTIKU-GHMZBOCLSA-N 2 0 180.295 1.198 10 30 ADEERP C=C1CC[NH+](CC(C)=C2C[NH2+]C2)CC1 307590240 572556925 /nfs/dbraw/zinc/55/69/25/572556925.db2.gz BUALLMFAYRHUSP-UHFFFAOYSA-N 2 0 192.306 1.558 10 30 ADEERP C=CC[NH+]1CC[C@@H]2C[N@H+](C)CC[C@@H]21 307507452 572558003 /nfs/dbraw/zinc/55/80/03/572558003.db2.gz ZIZIFHQWSBTIKU-MNOVXSKESA-N 2 0 180.295 1.198 10 30 ADEERP C[NH+](C)CC#CCCCCC[NH3+] 238325384 572560529 /nfs/dbraw/zinc/56/05/29/572560529.db2.gz KTDYXQUZSCKVPK-UHFFFAOYSA-N 2 0 168.284 1.071 10 30 ADEERP CC[C@H](CC#N)[NH2+]CCCC[NH+](C)C 45697750 572560672 /nfs/dbraw/zinc/56/06/72/572560672.db2.gz JWMYXMZHHDNBQH-LLVKDONJSA-N 2 0 197.326 1.610 10 30 ADEERP C#C[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 307519229 572560678 /nfs/dbraw/zinc/56/06/78/572560678.db2.gz JHJLJCWEVLBRLN-SRVKXCTJSA-N 2 0 192.306 1.069 10 30 ADEERP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 307586900 572562393 /nfs/dbraw/zinc/56/23/93/572562393.db2.gz RFWOCDLBPQWLEC-RYUDHWBXSA-N 2 0 192.306 1.071 10 30 ADEERP C#C[C@@H](CC)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 306156549 572566877 /nfs/dbraw/zinc/56/68/77/572566877.db2.gz DJBJJCAGMDKHLP-NWDGAFQWSA-N 2 0 192.306 1.084 10 30 ADEERP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306149437 572569259 /nfs/dbraw/zinc/56/92/59/572569259.db2.gz BZDIKRBFOKWJDK-RYUDHWBXSA-N 2 0 192.306 1.071 10 30 ADEERP C#CCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307513773 572568713 /nfs/dbraw/zinc/56/87/13/572568713.db2.gz ZEZBDTFBMKPFTJ-TUAOUCFPSA-N 2 0 194.322 1.315 10 30 ADEERP C#C[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 307519234 572572063 /nfs/dbraw/zinc/57/20/63/572572063.db2.gz JHJLJCWEVLBRLN-TUAOUCFPSA-N 2 0 192.306 1.069 10 30 ADEERP C=C(C[NH3+])C[N@@H+]1CCCOC(C)(C)C1 306238985 572574827 /nfs/dbraw/zinc/57/48/27/572574827.db2.gz JDDVOSINNDBNGI-UHFFFAOYSA-N 2 0 198.310 1.002 10 30 ADEERP C#C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)C(C)C 306249237 572576513 /nfs/dbraw/zinc/57/65/13/572576513.db2.gz ZXIBLLNUTPKMFX-SDDRHHMPSA-N 2 0 194.322 1.232 10 30 ADEERP C#CC[NH+]1CCC2(CC[NH2+]CC2)CC1 306293519 572577376 /nfs/dbraw/zinc/57/73/76/572577376.db2.gz URKVJMLGRRMYBA-UHFFFAOYSA-N 2 0 192.306 1.085 10 30 ADEERP C=C(CC)C[N@@H+]1CCC[NH2+][C@@H](C)C1 306273008 572580111 /nfs/dbraw/zinc/58/01/11/572580111.db2.gz ZADYNZOIZZLZRZ-NSHDSACASA-N 2 0 182.311 1.636 10 30 ADEERP C=CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]12 306206654 572581739 /nfs/dbraw/zinc/58/17/39/572581739.db2.gz CIJHDLRLOHRWBJ-IJLUTSLNSA-N 2 0 194.322 1.635 10 30 ADEERP C#C[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 307519221 572581815 /nfs/dbraw/zinc/58/18/15/572581815.db2.gz JHJLJCWEVLBRLN-QJPTWQEYSA-N 2 0 192.306 1.069 10 30 ADEERP C=C[C@@H](C)[N@@H+]1CCCC[C@@H](C[NH3+])C1 307586826 572583580 /nfs/dbraw/zinc/58/35/80/572583580.db2.gz QVMZMBYMTLOZCB-MNOVXSKESA-N 2 0 182.311 1.622 10 30 ADEERP C#CCCC[NH+]1CCC(C[NH3+])CC1 160975484 572586225 /nfs/dbraw/zinc/58/62/25/572586225.db2.gz IXCROGRRZRXHLO-UHFFFAOYSA-N 2 0 180.295 1.071 10 30 ADEERP C#CC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 306219903 572586684 /nfs/dbraw/zinc/58/66/84/572586684.db2.gz NKCPNQDQLZSUGG-LLVKDONJSA-N 2 0 180.295 1.084 10 30 ADEERP C=CC[NH+]1CC[C@H]2C[N@H+](C)CC[C@H]21 307507454 572588957 /nfs/dbraw/zinc/58/89/57/572588957.db2.gz ZIZIFHQWSBTIKU-WDEREUQCSA-N 2 0 180.295 1.198 10 30 ADEERP C=CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 306206699 572589258 /nfs/dbraw/zinc/58/92/58/572589258.db2.gz CIJHDLRLOHRWBJ-UTUOFQBUSA-N 2 0 194.322 1.635 10 30 ADEERP C=CC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 307566152 572589921 /nfs/dbraw/zinc/58/99/21/572589921.db2.gz SGBDOVUYXMSMLG-GHMZBOCLSA-N 2 0 196.338 1.868 10 30 ADEERP C#CCCC[N@H+]1CCCC[C@@H]1CC[NH3+] 160976934 572590647 /nfs/dbraw/zinc/59/06/47/572590647.db2.gz SECXJVNCRWDUQV-GFCCVEGCSA-N 2 0 194.322 1.603 10 30 ADEERP C#CCC[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 307586899 572591834 /nfs/dbraw/zinc/59/18/34/572591834.db2.gz RFWOCDLBPQWLEC-NWDGAFQWSA-N 2 0 192.306 1.071 10 30 ADEERP CC#CCC[N@@H+]1CCCC[C@H](C[NH3+])C1 306214033 572595005 /nfs/dbraw/zinc/59/50/05/572595005.db2.gz XXLOJGKZLBJALU-GFCCVEGCSA-N 2 0 194.322 1.461 10 30 ADEERP C#CCCCC[NH2+]CCC[NH2+]CCC 114998345 572596549 /nfs/dbraw/zinc/59/65/49/572596549.db2.gz VVQNONGUJCDZDM-UHFFFAOYSA-N 2 0 196.338 1.769 10 30 ADEERP C=C(CC)C[N@@H+]1CCC[NH2+][C@H](C)C1 306273007 572598252 /nfs/dbraw/zinc/59/82/52/572598252.db2.gz ZADYNZOIZZLZRZ-LLVKDONJSA-N 2 0 182.311 1.636 10 30 ADEERP C=C(C)[C@@H]1CC[C@](C)([NH3+])[C@H]([NH3+])C1 306302162 572600076 /nfs/dbraw/zinc/60/00/76/572600076.db2.gz YSRYTSMGSHUDCE-BBBLOLIVSA-N 2 0 168.284 1.407 10 30 ADEERP C#CCC[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 307586898 572600607 /nfs/dbraw/zinc/60/06/07/572600607.db2.gz RFWOCDLBPQWLEC-NEPJUHHUSA-N 2 0 192.306 1.071 10 30 ADEERP CC#CCC[N@@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 306322263 572600881 /nfs/dbraw/zinc/60/08/81/572600881.db2.gz YLEMZVBDSSOYET-NWDGAFQWSA-N 2 0 194.322 1.317 10 30 ADEERP C=CC(C)(C)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 307566155 572602265 /nfs/dbraw/zinc/60/22/65/572602265.db2.gz SGBDOVUYXMSMLG-MNOVXSKESA-N 2 0 196.338 1.868 10 30 ADEERP C=C1CC[NH+](C[C@H]2C[NH2+]C[C@H]2C)CC1 307584420 572605098 /nfs/dbraw/zinc/60/50/98/572605098.db2.gz IHCUVAUBZFCYPQ-VXGBXAGGSA-N 2 0 194.322 1.494 10 30 ADEERP C=CC[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 306354651 572605670 /nfs/dbraw/zinc/60/56/70/572605670.db2.gz RFEFBRAJEPPIFF-WDEREUQCSA-N 2 0 180.295 1.233 10 30 ADEERP C#C[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 307519225 572608340 /nfs/dbraw/zinc/60/83/40/572608340.db2.gz JHJLJCWEVLBRLN-SDDRHHMPSA-N 2 0 192.306 1.069 10 30 ADEERP CC#CCC[N@@H+]1C[C@H](C)[C@@](C)(C[NH3+])C1 306322271 572608345 /nfs/dbraw/zinc/60/83/45/572608345.db2.gz YLEMZVBDSSOYET-RYUDHWBXSA-N 2 0 194.322 1.317 10 30 ADEERP C#CC[N@@H+](CC)C[C@]12C[C@H]([NH3+])C[C@H]1C2 713410671 572611134 /nfs/dbraw/zinc/61/11/34/572611134.db2.gz XBOZEYFMGNASFY-TUAOUCFPSA-N 2 0 192.306 1.069 10 30 ADEERP C=C(C[NH3+])C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307569144 572612668 /nfs/dbraw/zinc/61/26/68/572612668.db2.gz VOQGXHDPZXAJRD-AOOOYVTPSA-N 2 0 180.295 1.089 10 30 ADEERP C#CC[N@@H+](CC)C[C@]12C[C@@H]([NH3+])C[C@H]1C2 713410670 572612794 /nfs/dbraw/zinc/61/27/94/572612794.db2.gz XBOZEYFMGNASFY-SRVKXCTJSA-N 2 0 192.306 1.069 10 30 ADEERP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C 306398883 572613125 /nfs/dbraw/zinc/61/31/25/572613125.db2.gz KEMJPKOHGQQMEQ-SDDRHHMPSA-N 2 0 194.322 1.328 10 30 ADEERP C#CC[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1 307543090 572613172 /nfs/dbraw/zinc/61/31/72/572613172.db2.gz JRMNQZUBQCSEAR-LBPRGKRZSA-N 2 0 192.306 1.084 10 30 ADEERP C=CCCC[NH2+]CC(C)(C)C[NH3+] 308075075 572615675 /nfs/dbraw/zinc/61/56/75/572615675.db2.gz DAZPPCZNCBUWDO-UHFFFAOYSA-N 2 0 170.300 1.527 10 30 ADEERP CC#CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 306352920 572616695 /nfs/dbraw/zinc/61/66/95/572616695.db2.gz OVYSTTQWJYVADK-GFCCVEGCSA-N 2 0 192.306 1.085 10 30 ADEERP C=C(C[NH3+])C[N@@H+]1CCC2(CCCC2)C1 306329585 572616766 /nfs/dbraw/zinc/61/67/66/572616766.db2.gz NSSZWPFHOCSKBI-UHFFFAOYSA-N 2 0 194.322 1.767 10 30 ADEERP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C 306398884 572617851 /nfs/dbraw/zinc/61/78/51/572617851.db2.gz KEMJPKOHGQQMEQ-SRVKXCTJSA-N 2 0 194.322 1.328 10 30 ADEERP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C 306398885 572618280 /nfs/dbraw/zinc/61/82/80/572618280.db2.gz KEMJPKOHGQQMEQ-WOPDTQHZSA-N 2 0 194.322 1.328 10 30 ADEERP CC#CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 306352925 572620129 /nfs/dbraw/zinc/62/01/29/572620129.db2.gz OVYSTTQWJYVADK-LBPRGKRZSA-N 2 0 192.306 1.085 10 30 ADEERP C=CC[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 306354649 572620752 /nfs/dbraw/zinc/62/07/52/572620752.db2.gz RFEFBRAJEPPIFF-MNOVXSKESA-N 2 0 180.295 1.233 10 30 ADEERP C=C(C)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306378303 572621688 /nfs/dbraw/zinc/62/16/88/572621688.db2.gz NFZZMAKSGVAFAH-NEPJUHHUSA-N 2 0 194.322 1.636 10 30 ADEERP C=C(C)C[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 307606866 572634412 /nfs/dbraw/zinc/63/44/12/572634412.db2.gz FADTWIYJZIBOCV-NEPJUHHUSA-N 2 0 194.322 1.623 10 30 ADEERP C#C[C@](C)(CC)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 307619726 572634974 /nfs/dbraw/zinc/63/49/74/572634974.db2.gz ZAKISIMMDQGTQX-SDDRHHMPSA-N 2 0 194.322 1.457 10 30 ADEERP C=CC[C@H]([NH3+])C#C[C@H]([NH3+])[C@@H](C)C=C 238370121 572636064 /nfs/dbraw/zinc/63/60/64/572636064.db2.gz IOCVFWTVUYZLJL-DCAQKATOSA-N 2 0 178.279 1.043 10 30 ADEERP C=C[C@H](C)[C@H]([NH3+])C#C[C@H]([NH3+])[C@@H](C)C=C 238370148 572636301 /nfs/dbraw/zinc/63/63/01/572636301.db2.gz VOTDPAGKXSSQTI-FIQHERPVSA-N 2 0 192.306 1.289 10 30 ADEERP CC#CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 307605513 572636764 /nfs/dbraw/zinc/63/67/64/572636764.db2.gz YNSNLGGXBKMTND-LLVKDONJSA-N 2 0 180.295 1.071 10 30 ADEERP C#C[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307682612 572637737 /nfs/dbraw/zinc/63/77/37/572637737.db2.gz RTINYGPDCVHFLK-QJPTWQEYSA-N 2 0 192.306 1.082 10 30 ADEERP C=C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C 307608505 572637992 /nfs/dbraw/zinc/63/79/92/572637992.db2.gz DJDNGLMAWJJIDJ-UTLUCORTSA-N 2 0 168.284 1.149 10 30 ADEERP C=C(CC)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 85058131 572641185 /nfs/dbraw/zinc/64/11/85/572641185.db2.gz PJXOGNHEDAJTBZ-LBPRGKRZSA-N 2 0 196.338 1.884 10 30 ADEERP C=C(CC)C[NH2+]C[C@H]1CC[N@@H+](CC)C1 85057559 572640063 /nfs/dbraw/zinc/64/00/63/572640063.db2.gz WXVBQLQZWMSGPK-GFCCVEGCSA-N 2 0 196.338 1.884 10 30 ADEERP C#C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)C 301005706 572640132 /nfs/dbraw/zinc/64/01/32/572640132.db2.gz XWJZVHRIRWWKOL-UTUOFQBUSA-N 2 0 194.322 1.504 10 30 ADEERP C#CC[NH2+]C1CCC([NH+](C)C)CC1 307683648 572640228 /nfs/dbraw/zinc/64/02/28/572640228.db2.gz URXCGEYMYCZUPJ-UHFFFAOYSA-N 2 0 180.295 1.082 10 30 ADEERP C=C(CC)C[NH2+]C[C@H]1CC[N@H+](C)C1 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ABBVSWFMTBJTKU-UWVGGRQHSA-N 2 0 168.284 1.232 10 30 ADEERP C=CCC[N@@H+](C)[C@@H]1CC[C@H]1C[NH3+] 307928008 572776135 /nfs/dbraw/zinc/77/61/35/572776135.db2.gz ABBVSWFMTBJTKU-VHSXEESVSA-N 2 0 168.284 1.232 10 30 ADEERP C=C(CC)C[N@@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 306741923 572779220 /nfs/dbraw/zinc/77/92/20/572779220.db2.gz VGDLRBOYLCUXNC-ZACCUICWSA-N 2 0 180.295 1.232 10 30 ADEERP C#CCCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 307727100 572780078 /nfs/dbraw/zinc/78/00/78/572780078.db2.gz DUDBBCMGBFQJDY-TUAOUCFPSA-N 2 0 192.306 1.069 10 30 ADEERP C=C1CCCN(CCC[NH2+]C2CC2)C1 688689729 572785792 /nfs/dbraw/zinc/78/57/92/572785792.db2.gz LXGOIHKPITXPHA-UHFFFAOYSA-N 2 0 194.322 1.781 10 30 ADEERP C=CCCCC[NH+]1CCC([NH3+])CC1 238548880 572787240 /nfs/dbraw/zinc/78/72/40/572787240.db2.gz ODMVBMDYTHKZRG-UHFFFAOYSA-N 2 0 182.311 1.766 10 30 ADEERP C#CCCC[NH2+][C@@H](C)CCCC[NH3+] 308131292 572787750 /nfs/dbraw/zinc/78/77/50/572787750.db2.gz JFQXQCRMYQUIML-NSHDSACASA-N 2 0 182.311 1.507 10 30 ADEERP C#CCCC[NH2+][C@H](C)CCCC[NH3+] 308131291 572788010 /nfs/dbraw/zinc/78/80/10/572788010.db2.gz JFQXQCRMYQUIML-LLVKDONJSA-N 2 0 182.311 1.507 10 30 ADEERP C=C(CC)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306800303 572789752 /nfs/dbraw/zinc/78/97/52/572789752.db2.gz OKIZWJJOGGQJKE-SDDRHHMPSA-N 2 0 194.322 1.622 10 30 ADEERP C#CCC[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740500 572788803 /nfs/dbraw/zinc/78/88/03/572788803.db2.gz PVGFFUKUKMOHBP-LLVKDONJSA-N 2 0 194.322 1.602 10 30 ADEERP C=CC[C@@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740483 572788960 /nfs/dbraw/zinc/78/89/60/572788960.db2.gz ZWHDBBPIOYGNHN-SNVBAGLBSA-N 2 0 182.311 1.764 10 30 ADEERP C=CC[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740487 572790553 /nfs/dbraw/zinc/79/05/53/572790553.db2.gz ZWHDBBPIOYGNHN-JTQLQIEISA-N 2 0 182.311 1.764 10 30 ADEERP C#CCC[NH2+]CCC[NH2+]C(C)(C)C 308131727 572790867 /nfs/dbraw/zinc/79/08/67/572790867.db2.gz BGBHVPNCVXXESX-UHFFFAOYSA-N 2 0 182.311 1.378 10 30 ADEERP C#CCC[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 85740502 572791439 /nfs/dbraw/zinc/79/14/39/572791439.db2.gz PVGFFUKUKMOHBP-NSHDSACASA-N 2 0 194.322 1.602 10 30 ADEERP C=C(CC)C[N@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306800305 572794253 /nfs/dbraw/zinc/79/42/53/572794253.db2.gz OKIZWJJOGGQJKE-TUAOUCFPSA-N 2 0 194.322 1.622 10 30 ADEERP C=C(CC)C[N@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306800302 572795900 /nfs/dbraw/zinc/79/59/00/572795900.db2.gz OKIZWJJOGGQJKE-QJPTWQEYSA-N 2 0 194.322 1.622 10 30 ADEERP C=C(C)C[NH2+][C@H](C)CCCC[NH3+] 307937146 572796616 /nfs/dbraw/zinc/79/66/16/572796616.db2.gz AFWODJDESZRIDF-SNVBAGLBSA-N 2 0 170.300 1.670 10 30 ADEERP C=C(C)C[NH2+][C@@H](C)CCCC[NH3+] 307937145 572796833 /nfs/dbraw/zinc/79/68/33/572796833.db2.gz AFWODJDESZRIDF-JTQLQIEISA-N 2 0 170.300 1.670 10 30 ADEERP C=CCCC[N@@H+]1CCO[C@H](CC[NH3+])C1 238552863 572797746 /nfs/dbraw/zinc/79/77/46/572797746.db2.gz PJSXURYWKZDVQO-LLVKDONJSA-N 2 0 198.310 1.002 10 30 ADEERP C#CC[C@H](CC)[NH2+][C@H](C)[C@H](C)[NH3+] 308133297 572804569 /nfs/dbraw/zinc/80/45/69/572804569.db2.gz YRJQNNWTTVUERC-AEJSXWLSSA-N 2 0 168.284 1.114 10 30 ADEERP C=C(C[NH3+])C[N@@H+](C)[C@H](C)CC 231596638 572806204 /nfs/dbraw/zinc/80/62/04/572806204.db2.gz BMEPMUJXOBRDFP-SECBINFHSA-N 2 0 156.273 1.232 10 30 ADEERP C#CC[C@H](CC)[NH2+][C@H](C)[C@@H](C)[NH3+] 308133298 572806482 /nfs/dbraw/zinc/80/64/82/572806482.db2.gz YRJQNNWTTVUERC-BBBLOLIVSA-N 2 0 168.284 1.114 10 30 ADEERP C#CC[C@H](CC)[NH2+][C@@H](C)[C@H](C)[NH3+] 308133299 572806585 /nfs/dbraw/zinc/80/65/85/572806585.db2.gz YRJQNNWTTVUERC-GUBZILKMSA-N 2 0 168.284 1.114 10 30 ADEERP C=C(C)CC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235359477 572806704 /nfs/dbraw/zinc/80/67/04/572806704.db2.gz ZJTACALKRBEYDD-ZJUUUORDSA-N 2 0 168.284 1.232 10 30 ADEERP C=C1CC[NH+](CC2CC[NH2+]CC2)CC1 306833637 572806951 /nfs/dbraw/zinc/80/69/51/572806951.db2.gz PZLIEKPQCYWUFU-UHFFFAOYSA-N 2 0 194.322 1.638 10 30 ADEERP C=C(CC)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306800304 572807551 /nfs/dbraw/zinc/80/75/51/572807551.db2.gz OKIZWJJOGGQJKE-SRVKXCTJSA-N 2 0 194.322 1.622 10 30 ADEERP C=CCCC[NH2+]C[C@@H](C[NH3+])C(C)C 308137450 572807616 /nfs/dbraw/zinc/80/76/16/572807616.db2.gz JEBLUIHPZTVHKE-LLVKDONJSA-N 2 0 184.327 1.773 10 30 ADEERP C=CC[C@H](C)[NH2+]CCCC[NH+](C)C 308137044 572807782 /nfs/dbraw/zinc/80/77/82/572807782.db2.gz GAXLBMKITWMQMI-NSHDSACASA-N 2 0 184.327 1.882 10 30 ADEERP C=CCCC[NH2+]C[C@H](C[NH3+])C(C)C 308137453 572808742 /nfs/dbraw/zinc/80/87/42/572808742.db2.gz JEBLUIHPZTVHKE-NSHDSACASA-N 2 0 184.327 1.773 10 30 ADEERP C=CC[C@@H](C)[NH2+]CCCC[NH+](C)C 308137043 572809337 /nfs/dbraw/zinc/80/93/37/572809337.db2.gz GAXLBMKITWMQMI-LLVKDONJSA-N 2 0 184.327 1.882 10 30 ADEERP C#CC[C@H](C)[NH2+][C@@H]1CCCN[C@@H]1C 306870271 572809701 /nfs/dbraw/zinc/80/97/01/572809701.db2.gz SWPOQOMMFQHVBD-HBNTYKKESA-N 2 0 180.295 1.128 10 30 ADEERP C=C1CC[NH+](C[C@@H](C)C[NH3+])CC1 306847930 572809744 /nfs/dbraw/zinc/80/97/44/572809744.db2.gz LWHKDWAGTWNAMH-JTQLQIEISA-N 2 0 168.284 1.233 10 30 ADEERP C=C(C[NH2+]C)C[N@@H+](C)[C@H](C)CC 231596554 572810214 /nfs/dbraw/zinc/81/02/14/572810214.db2.gz HLARDRJRCCVKID-SNVBAGLBSA-N 2 0 170.300 1.492 10 30 ADEERP C#CC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] 308133367 572811043 /nfs/dbraw/zinc/81/10/43/572811043.db2.gz LRSCJJVRUKTNRY-QWRGUYRKSA-N 2 0 182.311 1.505 10 30 ADEERP C#CC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] 308133368 572813425 /nfs/dbraw/zinc/81/34/25/572813425.db2.gz LRSCJJVRUKTNRY-WDEREUQCSA-N 2 0 182.311 1.505 10 30 ADEERP C#CC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] 308133366 572813578 /nfs/dbraw/zinc/81/35/78/572813578.db2.gz LRSCJJVRUKTNRY-MNOVXSKESA-N 2 0 182.311 1.505 10 30 ADEERP C#CC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 308133365 572813963 /nfs/dbraw/zinc/81/39/63/572813963.db2.gz LRSCJJVRUKTNRY-GHMZBOCLSA-N 2 0 182.311 1.505 10 30 ADEERP C=CCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C 308134687 572815403 /nfs/dbraw/zinc/81/54/03/572815403.db2.gz NCZMUCCKADKDIC-GHMZBOCLSA-N 2 0 182.311 1.540 10 30 ADEERP C=CC[C@@H](CC[NH+](CC)CC)[NH2+]C 85795692 572815690 /nfs/dbraw/zinc/81/56/90/572815690.db2.gz MFLBJVPIHFWBJS-NSHDSACASA-N 2 0 184.327 1.882 10 30 ADEERP C=CCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 308134690 572815990 /nfs/dbraw/zinc/81/59/90/572815990.db2.gz NCZMUCCKADKDIC-WDEREUQCSA-N 2 0 182.311 1.540 10 30 ADEERP CC#CC[C@@H](CC[NH+](CC)CC)[NH2+]C 85795658 572816328 /nfs/dbraw/zinc/81/63/28/572816328.db2.gz VHBYMLQCBRIGCG-LBPRGKRZSA-N 2 0 196.338 1.720 10 30 ADEERP C=CCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C 308134689 572816559 /nfs/dbraw/zinc/81/65/59/572816559.db2.gz NCZMUCCKADKDIC-QWRGUYRKSA-N 2 0 182.311 1.540 10 30 ADEERP C#CCC[C@@H]([NH3+])CC[NH+](CC)CC 85795377 572817104 /nfs/dbraw/zinc/81/71/04/572817104.db2.gz URGRVTXZFZCEGS-LLVKDONJSA-N 2 0 182.311 1.459 10 30 ADEERP C#CC[C@@H](CC[NH+](CC)CC)[NH2+]CC 85795932 572817044 /nfs/dbraw/zinc/81/70/44/572817044.db2.gz YXDDSNSLIDUZOE-LBPRGKRZSA-N 2 0 196.338 1.720 10 30 ADEERP C#CC[C@H](CC[NH+](CC)CC)[NH2+]CC 85795928 572817404 /nfs/dbraw/zinc/81/74/04/572817404.db2.gz YXDDSNSLIDUZOE-GFCCVEGCSA-N 2 0 196.338 1.720 10 30 ADEERP C=C[C@H](CC[NH+](CC)CC)[NH2+]C 85795537 572818094 /nfs/dbraw/zinc/81/80/94/572818094.db2.gz VFVOYUCCBWYUOH-SNVBAGLBSA-N 2 0 170.300 1.492 10 30 ADEERP C#CCC[C@H](CC[NH+](CC)CC)[NH2+]C 85795712 572818161 /nfs/dbraw/zinc/81/81/61/572818161.db2.gz HNMSRDMRMBQASO-GFCCVEGCSA-N 2 0 196.338 1.720 10 30 ADEERP C#CC[C@@H](CC[NH+](CC)CC)[NH2+]C 85795765 572818351 /nfs/dbraw/zinc/81/83/51/572818351.db2.gz SWLPYTIQILWYSR-NSHDSACASA-N 2 0 182.311 1.330 10 30 ADEERP C=CC[C@H]([NH3+])CC[NH+](CC)CC 85795352 572818317 /nfs/dbraw/zinc/81/83/17/572818317.db2.gz BZLBCWFMCYDFMX-JTQLQIEISA-N 2 0 170.300 1.622 10 30 ADEERP C=CCCCC[NH2+]CCC[NH+](C)C 308135893 572818412 /nfs/dbraw/zinc/81/84/12/572818412.db2.gz IDPQOZCRHDPLJM-UHFFFAOYSA-N 2 0 184.327 1.884 10 30 ADEERP C=CCCC[N@@H+]1CCO[C@@H](CC[NH3+])C1 238561451 572818431 /nfs/dbraw/zinc/81/84/31/572818431.db2.gz PJSXURYWKZDVQO-NSHDSACASA-N 2 0 198.310 1.002 10 30 ADEERP C=C[C@@H]([NH3+])CC[NH+](CC)CC 85795059 572818454 /nfs/dbraw/zinc/81/84/54/572818454.db2.gz SBKDUTDQGZHAHF-SECBINFHSA-N 2 0 156.273 1.232 10 30 ADEERP C#CCC[C@H]([NH3+])CC[NH+](CC)CC 85795378 572818713 /nfs/dbraw/zinc/81/87/13/572818713.db2.gz URGRVTXZFZCEGS-NSHDSACASA-N 2 0 182.311 1.459 10 30 ADEERP C=CC[C@@H]([NH3+])CC[NH+](CC)CC 85795349 572818731 /nfs/dbraw/zinc/81/87/31/572818731.db2.gz BZLBCWFMCYDFMX-SNVBAGLBSA-N 2 0 170.300 1.622 10 30 ADEERP C=C[C@H](CC[NH+](CC)CC)[NH2+]CC 85795813 572818788 /nfs/dbraw/zinc/81/87/88/572818788.db2.gz VTFDGMMRFHYTTG-LLVKDONJSA-N 2 0 184.327 1.882 10 30 ADEERP C#CCC[C@@H](CC[NH+](CC)CC)[NH2+]C 85795715 572818838 /nfs/dbraw/zinc/81/88/38/572818838.db2.gz HNMSRDMRMBQASO-LBPRGKRZSA-N 2 0 196.338 1.720 10 30 ADEERP C=C[C@@H]1CCCCN1[C@H]1CCC[NH2+]C1 306845498 572819184 /nfs/dbraw/zinc/81/91/84/572819184.db2.gz IUBKPFYALUGJIW-NEPJUHHUSA-N 2 0 194.322 1.779 10 30 ADEERP C=CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@@H]2C1 306973891 572819332 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/nfs/dbraw/zinc/00/47/26/573004726.db2.gz OKRMQGCJGGCSHW-JTQLQIEISA-N 2 0 168.284 1.233 10 30 ADEERP C=C(C[NH3+])[C@@H]1CCC[N@@H+](CC)C1 258216332 573006886 /nfs/dbraw/zinc/00/68/86/573006886.db2.gz OKRMQGCJGGCSHW-SNVBAGLBSA-N 2 0 168.284 1.233 10 30 ADEERP CC(=[NH2+])NCc1ccc(C[NH3+])cc1 196988269 573007287 /nfs/dbraw/zinc/00/72/87/573007287.db2.gz BRQMNOALBALBBP-UHFFFAOYSA-N 2 0 177.251 1.022 10 30 ADEERP CC(=[NH2+])Nc1ccc2c(c1)C[NH2+]CC2 196989037 573007107 /nfs/dbraw/zinc/00/71/07/573007107.db2.gz IWRUGNBQVVWILU-UHFFFAOYSA-N 2 0 189.262 1.341 10 30 ADEERP CC(=[NH2+])Nc1cccc2c1CC[C@@H]2[NH3+] 196988976 573007327 /nfs/dbraw/zinc/00/73/27/573007327.db2.gz CSKFXFBPOWGGJN-JTQLQIEISA-N 2 0 189.262 1.641 10 30 ADEERP CC(=[NH2+])Nc1ccc2c(c1)[C@@H]([NH3+])CC2 196988341 573008438 /nfs/dbraw/zinc/00/84/38/573008438.db2.gz VXVVKEIXGHGHJO-NSHDSACASA-N 2 0 189.262 1.641 10 30 ADEERP C=C(CC)C[N@@H+]1C[C@@H](C)[C@@](C)(C[NH3+])C1 308475010 573009205 /nfs/dbraw/zinc/00/92/05/573009205.db2.gz 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C[NH+]1CCC([C@H](CC#N)[NH+](C)C)CC1 259315454 573029728 /nfs/dbraw/zinc/02/97/28/573029728.db2.gz DLIQTVVZUKTARZ-NSHDSACASA-N 2 0 195.310 1.172 10 30 ADEERP C[NH+]1CCC([C@@H](CC#N)[NH+](C)C)CC1 259315452 573031191 /nfs/dbraw/zinc/03/11/91/573031191.db2.gz DLIQTVVZUKTARZ-LLVKDONJSA-N 2 0 195.310 1.172 10 30 ADEERP C=C(C[NH2+]C)C1CC[NH+](C)CC1 258230176 573032881 /nfs/dbraw/zinc/03/28/81/573032881.db2.gz PJKYGNYVOLQADI-UHFFFAOYSA-N 2 0 168.284 1.104 10 30 ADEERP CC(C)/C=[NH+]/CCC[NH3+] 104582442 573035246 /nfs/dbraw/zinc/03/52/46/573035246.db2.gz NPCHNAGNMWVBKW-RMKNXTFCSA-N 2 0 128.219 1.062 10 30 ADEERP C#CC[N@@H+](CCC)CC(C)(C)CC[NH3+] 308486717 573045148 /nfs/dbraw/zinc/04/51/48/573045148.db2.gz PCTGNDVOFRYOPW-UHFFFAOYSA-N 2 0 196.338 1.707 10 30 ADEERP C=CC[NH2+][C@H]1CC[N@@H+](CC)[C@H](C)C1 308234200 573046298 /nfs/dbraw/zinc/04/62/98/573046298.db2.gz QDAUBTZHLZEOHK-MNOVXSKESA-N 2 0 182.311 1.635 10 30 ADEERP C=CC[NH2+][C@@H]1CC[N@@H+](CC)[C@@H](C)C1 308234202 573047087 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RFQYLCOKKJBFDY-NSHDSACASA-N 2 0 182.311 1.317 10 30 ADEERP C=CC[N@@H+](CC)C[C@@](C)(CC)C[NH3+] 128518143 573057737 /nfs/dbraw/zinc/05/77/37/573057737.db2.gz BPHZPKWAFIJLQD-NSHDSACASA-N 2 0 184.327 1.869 10 30 ADEERP C#C[C@@H](CCC)[NH2+]CCC(C)(C)[NH3+] 308239047 573059251 /nfs/dbraw/zinc/05/92/51/573059251.db2.gz XGPRZRWUIDUIIT-JTQLQIEISA-N 2 0 182.311 1.505 10 30 ADEERP C#C[C@H](CCC)[NH2+]CCC(C)(C)[NH3+] 308239049 573059663 /nfs/dbraw/zinc/05/96/63/573059663.db2.gz XGPRZRWUIDUIIT-SNVBAGLBSA-N 2 0 182.311 1.505 10 30 ADEERP C[C@H]([NH3+])C1CC[NH+](C[C@@H](C)C#N)CC1 82475087 573060635 /nfs/dbraw/zinc/06/06/35/573060635.db2.gz LPKSVTAVHLFPMR-UWVGGRQHSA-N 2 0 195.310 1.205 10 30 ADEERP C[C@H]([NH3+])C1CC[NH+]([C@H](C)CC#N)CC1 82475101 573060759 /nfs/dbraw/zinc/06/07/59/573060759.db2.gz GOTHGXWMEQSDRT-ZJUUUORDSA-N 2 0 195.310 1.348 10 30 ADEERP C[C@@H](CC#N)[NH+]1CCC([C@@H](C)[NH3+])CC1 82475098 573060774 /nfs/dbraw/zinc/06/07/74/573060774.db2.gz GOTHGXWMEQSDRT-VHSXEESVSA-N 2 0 195.310 1.348 10 30 ADEERP C[C@H](C#N)C[NH+]1CCC([C@@H](C)[NH3+])CC1 82475084 573062290 /nfs/dbraw/zinc/06/22/90/573062290.db2.gz LPKSVTAVHLFPMR-NXEZZACHSA-N 2 0 195.310 1.205 10 30 ADEERP C[C@@H](C#N)C[NH+]1CCC([C@@H](C)[NH3+])CC1 82475085 573062306 /nfs/dbraw/zinc/06/23/06/573062306.db2.gz LPKSVTAVHLFPMR-VHSXEESVSA-N 2 0 195.310 1.205 10 30 ADEERP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)CC#N)CC1 82475099 573062808 /nfs/dbraw/zinc/06/28/08/573062808.db2.gz GOTHGXWMEQSDRT-NXEZZACHSA-N 2 0 195.310 1.348 10 30 ADEERP CC#CC[NH+]1CCC([C@@H](C)[NH3+])CC1 82475114 573065926 /nfs/dbraw/zinc/06/59/26/573065926.db2.gz PSKNAFUYYYKGAY-SNVBAGLBSA-N 2 0 180.295 1.069 10 30 ADEERP C=CCN(CCC[NH+](C)C)C1CC1 308494882 573066979 /nfs/dbraw/zinc/06/69/79/573066979.db2.gz SYNMCMVDZXAKHK-UHFFFAOYSA-N 2 0 182.311 1.589 10 30 ADEERP C=CC[NH+](CC=C)CCC[C@@H](C)[NH3+] 69840629 573074798 /nfs/dbraw/zinc/07/47/98/573074798.db2.gz PNXPKOFOAJHIKD-LLVKDONJSA-N 2 0 182.311 1.788 10 30 ADEERP C=CC[NH+](CC=C)CCC[C@H](C)[NH3+] 69840627 573074977 /nfs/dbraw/zinc/07/49/77/573074977.db2.gz PNXPKOFOAJHIKD-NSHDSACASA-N 2 0 182.311 1.788 10 30 ADEERP C#CC[N@@H+](CC)CC[C@H]([NH3+])CCC 128677958 573085898 /nfs/dbraw/zinc/08/58/98/573085898.db2.gz VFODUYVPBUHGMK-LLVKDONJSA-N 2 0 182.311 1.459 10 30 ADEERP C=CC[N@@H+](C)CC[C@@H]([NH3+])CCC 128678711 573087032 /nfs/dbraw/zinc/08/70/32/573087032.db2.gz ZYEDMWFVKFKTLA-JTQLQIEISA-N 2 0 170.300 1.622 10 30 ADEERP C#CC[N@@H+](CC)CC[C@@H]([NH3+])CCC 128677694 573086744 /nfs/dbraw/zinc/08/67/44/573086744.db2.gz VFODUYVPBUHGMK-NSHDSACASA-N 2 0 182.311 1.459 10 30 ADEERP C=CC[N@@H+](C)CC[C@H]([NH3+])CCC 128678951 573089492 /nfs/dbraw/zinc/08/94/92/573089492.db2.gz ZYEDMWFVKFKTLA-SNVBAGLBSA-N 2 0 170.300 1.622 10 30 ADEERP C#CC[NH2+][C@@H](C)CCCC[NH+](C)C 308261907 573114022 /nfs/dbraw/zinc/11/40/22/573114022.db2.gz NRQULWZENFUZFE-NSHDSACASA-N 2 0 182.311 1.330 10 30 ADEERP C=CC[N@@H+](C)CC(C)(C)C[NH2+]CC 131956659 573120393 /nfs/dbraw/zinc/12/03/93/573120393.db2.gz 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258275860 573278146 /nfs/dbraw/zinc/27/81/46/573278146.db2.gz SEHJLOCABNQKBF-NSHDSACASA-N 2 0 180.295 1.082 10 30 ADEERP C=C(CC[NH2+]C)C1CC[NH+](CC)CC1 258276097 573278537 /nfs/dbraw/zinc/27/85/37/573278537.db2.gz SHCAMIZFWTVVEH-UHFFFAOYSA-N 2 0 196.338 1.884 10 30 ADEERP CC[C@H](C#N)CNC[C@H]1CC[N@H+](C)C1 259067546 573284077 /nfs/dbraw/zinc/28/40/77/573284077.db2.gz UEDQXQGSPDRJDN-GHMZBOCLSA-N 2 0 195.310 1.077 10 30 ADEERP C=C(C[NH3+])C[C@H]1CCCC[NH2+]1 258277906 573285916 /nfs/dbraw/zinc/28/59/16/573285916.db2.gz SIMGDLYIGKVXJY-SECBINFHSA-N 2 0 154.257 1.034 10 30 ADEERP C=C[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]CC)C1 224889296 573288827 /nfs/dbraw/zinc/28/88/27/573288827.db2.gz VRBKVVWHCCYOML-NEPJUHHUSA-N 2 0 196.338 1.882 10 30 ADEERP C=CC[NH+](CC=C)C[C@H](C)C1C[NH2+]C1 129433869 573289086 /nfs/dbraw/zinc/28/90/86/573289086.db2.gz TZIQIAIPBOEGFZ-NSHDSACASA-N 2 0 194.322 1.516 10 30 ADEERP C=C(CC[NH3+])C[C@H]1CCC[N@H+]1C 258281743 573289256 /nfs/dbraw/zinc/28/92/56/573289256.db2.gz 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184.327 1.866 10 30 ADEERP C=C(CC[NH3+])C[C@@H]1CCCC[N@H+]1C 257996793 573296239 /nfs/dbraw/zinc/29/62/39/573296239.db2.gz ABIVHULAPPTGQL-NSHDSACASA-N 2 0 182.311 1.766 10 30 ADEERP C/[NH+]=C/C[C@H]1C=C[C@H]([NH2+]C)C1 238336155 573297205 /nfs/dbraw/zinc/29/72/05/573297205.db2.gz OBSXEOSNDOPKOT-FABCMWHDSA-N 2 0 152.241 1.241 10 30 ADEERP C=C(C[NH3+])[C@@H]1CCC[N@H+]1C(C)C 258001001 573311561 /nfs/dbraw/zinc/31/15/61/573311561.db2.gz AKGSTZDARFIHML-JTQLQIEISA-N 2 0 168.284 1.374 10 30 ADEERP C[NH2+]CC#CC[C@H]1CCCC[N@@H+]1C 258000818 573310754 /nfs/dbraw/zinc/31/07/54/573310754.db2.gz AHGGHDNOSLRQFU-NSHDSACASA-N 2 0 180.295 1.084 10 30 ADEERP C=C(CC[NH2+]C)[C@@H]1CC[N@@H+](C(C)C)C1 258301715 573317344 /nfs/dbraw/zinc/31/73/44/573317344.db2.gz UVINUYPPSCDPCY-GFCCVEGCSA-N 2 0 196.338 1.882 10 30 ADEERP C=C(CC[NH2+]C)[C@H]1CC[N@@H+](C(C)C)C1 258301716 573318123 /nfs/dbraw/zinc/31/81/23/573318123.db2.gz UVINUYPPSCDPCY-LBPRGKRZSA-N 2 0 196.338 1.882 10 30 ADEERP 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C#CC[N@@H+](CCC)C[C@@H]1CCC[NH2+]C1 130448273 573584876 /nfs/dbraw/zinc/58/48/76/573584876.db2.gz AZQXXRBVOXPXGD-GFCCVEGCSA-N 2 0 194.322 1.331 10 30 ADEERP C#CC[N@@H+](CCC)C[C@@H]1C=C[C@@H]([NH3+])C1 130445523 573585128 /nfs/dbraw/zinc/58/51/28/573585128.db2.gz QNDXOPVOVJUXLQ-VXGBXAGGSA-N 2 0 192.306 1.235 10 30 ADEERP C#CC[N@@H+](CCC)C[C@@H](CC)C[NH3+] 130443401 573585324 /nfs/dbraw/zinc/58/53/24/573585324.db2.gz OMJGWSXDWOHHTQ-NSHDSACASA-N 2 0 182.311 1.317 10 30 ADEERP C#CC[N@@H+](CC=C)CCC[C@H](C)C[NH3+] 308639333 573586645 /nfs/dbraw/zinc/58/66/45/573586645.db2.gz CDRYWFUXKSWULY-LBPRGKRZSA-N 2 0 194.322 1.483 10 30 ADEERP C#CC[N@@H+](CCC)C[C@H](C)C[NH2+]CC 130464976 573590095 /nfs/dbraw/zinc/59/00/95/573590095.db2.gz SCLDDVOUBWPTPH-GFCCVEGCSA-N 2 0 196.338 1.577 10 30 ADEERP C#CC[N@@H+](CCC)C[C@H]1CC[C@H]([NH3+])C1 130467048 573590254 /nfs/dbraw/zinc/59/02/54/573590254.db2.gz PYPHZWDFSFKOLR-RYUDHWBXSA-N 2 0 194.322 1.459 10 30 ADEERP C[C@@H](CN(C)C)[NH2+]CCC(C)(C)C#N 130486582 573596008 /nfs/dbraw/zinc/59/60/08/573596008.db2.gz DZEYXUCCJRRUMW-JTQLQIEISA-N 2 0 197.326 1.466 10 30 ADEERP CC(C)([NH3+])CC[NH+]1CCC(C#N)CC1 259520744 573597748 /nfs/dbraw/zinc/59/77/48/573597748.db2.gz AUHSVCSVFBHUNG-UHFFFAOYSA-N 2 0 195.310 1.349 10 30 ADEERP C=CCN(C)C[C@@]1(CC)CCC[NH2+]1 215389213 573601538 /nfs/dbraw/zinc/60/15/38/573601538.db2.gz KNDGECQXABLLJY-LLVKDONJSA-N 2 0 182.311 1.636 10 30 ADEERP C=CCN1CCC(C)(C)[C@H]([NH3+])C1 259125027 573603122 /nfs/dbraw/zinc/60/31/22/573603122.db2.gz CMIJAPDOQANBHK-SECBINFHSA-N 2 0 168.284 1.232 10 30 ADEERP C#CCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 308648253 573605497 /nfs/dbraw/zinc/60/54/97/573605497.db2.gz INGLDNHAKOPCEI-LBPRGKRZSA-N 2 0 194.322 1.461 10 30 ADEERP C#C[C@@H](CCC)[NH2+][C@H](C)CCCC[NH3+] 308643263 573614709 /nfs/dbraw/zinc/61/47/09/573614709.db2.gz FERABLWABMPOSU-NEPJUHHUSA-N 2 0 196.338 1.895 10 30 ADEERP C#C[C@H](CCC)[NH2+][C@H](C)CCCC[NH3+] 308643267 573614750 /nfs/dbraw/zinc/61/47/50/573614750.db2.gz FERABLWABMPOSU-VXGBXAGGSA-N 2 0 196.338 1.895 10 30 ADEERP C#C[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1C 308643079 573615301 /nfs/dbraw/zinc/61/53/01/573615301.db2.gz FCLKJNJQUQMARH-TUAOUCFPSA-N 2 0 194.322 1.376 10 30 ADEERP C#C[C@H](CCC)[NH2+][C@@H](C)CCCC[NH3+] 308643265 573617858 /nfs/dbraw/zinc/61/78/58/573617858.db2.gz FERABLWABMPOSU-NWDGAFQWSA-N 2 0 196.338 1.895 10 30 ADEERP C#C[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1C 308643077 573618971 /nfs/dbraw/zinc/61/89/71/573618971.db2.gz FCLKJNJQUQMARH-IJLUTSLNSA-N 2 0 194.322 1.376 10 30 ADEERP C=CC[NH2+]C1(C[NH3+])CCCCC1 83759126 573624303 /nfs/dbraw/zinc/62/43/03/573624303.db2.gz IGUKXQVRDQGIMO-UHFFFAOYSA-N 2 0 168.284 1.424 10 30 ADEERP C#CC[C@@H](C)[NH2+][C@@H](C)CCC[NH+](C)C 308649942 573631093 /nfs/dbraw/zinc/63/10/93/573631093.db2.gz JRVRGDIQEAXEMC-NEPJUHHUSA-N 2 0 196.338 1.718 10 30 ADEERP CC[C@@H](C#N)[C@H]([NH3+])C1CC[NH+](C)CC1 259537159 573642227 /nfs/dbraw/zinc/64/22/27/573642227.db2.gz TXFBOPMVVAEDON-ONGXEEELSA-N 2 0 195.310 1.205 10 30 ADEERP CC[C@H](C#N)[C@H]([NH3+])C1CC[NH+](C)CC1 259537157 573642500 /nfs/dbraw/zinc/64/25/00/573642500.db2.gz TXFBOPMVVAEDON-KOLCDFICSA-N 2 0 195.310 1.205 10 30 ADEERP C#CC[C@@H](CC)[NH2+][C@@H](C)CCCC[NH3+] 308655044 573644542 /nfs/dbraw/zinc/64/45/42/573644542.db2.gz NAHGTOWMKJSJHA-NWDGAFQWSA-N 2 0 196.338 1.895 10 30 ADEERP C#CC[C@@H](CC)[NH2+][C@H](C)CCCC[NH3+] 308655046 573644569 /nfs/dbraw/zinc/64/45/69/573644569.db2.gz NAHGTOWMKJSJHA-VXGBXAGGSA-N 2 0 196.338 1.895 10 30 ADEERP C#CC[N@@H+](CC=C)CC(C)(C)CC[NH3+] 308654080 573646228 /nfs/dbraw/zinc/64/62/28/573646228.db2.gz MHXXJAMRKZWTFQ-UHFFFAOYSA-N 2 0 194.322 1.483 10 30 ADEERP C#CC[C@H](CC)[NH2+][C@@H](C)CCCC[NH3+] 308655045 573646419 /nfs/dbraw/zinc/64/64/19/573646419.db2.gz NAHGTOWMKJSJHA-RYUDHWBXSA-N 2 0 196.338 1.895 10 30 ADEERP C/C=[NH+]/C[C@@H]1CCC[C@@H]1[NH3+] 211981044 573646487 /nfs/dbraw/zinc/64/64/87/573646487.db2.gz XNGZCYFBDWLSKS-FKNIKKSESA-N 2 0 140.230 1.205 10 30 ADEERP C#CC[C@@H](CC)[NH2+][C@H](C)CC[NH+](C)C 393667642 573650752 /nfs/dbraw/zinc/65/07/52/573650752.db2.gz NTAIETVLZRUMIF-VXGBXAGGSA-N 2 0 196.338 1.718 10 30 ADEERP C#CC[N@@H+](CC=C)CC[C@@H](CC)C[NH3+] 308657982 573650911 /nfs/dbraw/zinc/65/09/11/573650911.db2.gz OFXXCPGZDXMQIT-GFCCVEGCSA-N 2 0 194.322 1.483 10 30 ADEERP C#CC[N@@H+](CC=C)CC[C@H](CC)C[NH3+] 308657983 573652791 /nfs/dbraw/zinc/65/27/91/573652791.db2.gz OFXXCPGZDXMQIT-LBPRGKRZSA-N 2 0 194.322 1.483 10 30 ADEERP C=C(C[NH3+])C[C@H]1CC[N@@H+](C(C)C)C1 258083583 573658072 /nfs/dbraw/zinc/65/80/72/573658072.db2.gz GBALHTYAHSWXFP-LLVKDONJSA-N 2 0 182.311 1.622 10 30 ADEERP C[C@@H](CC#N)[NH2+]CC[C@@H]1CC[N@H+](C)C1 308663633 573661358 /nfs/dbraw/zinc/66/13/58/573661358.db2.gz RGBTYHNIBXGPKO-WDEREUQCSA-N 2 0 195.310 1.220 10 30 ADEERP C=C(C[NH2+]CC)C[N@H+](C)CCC1CC1 308666090 573662113 /nfs/dbraw/zinc/66/21/13/573662113.db2.gz SOMBLFRIHSUEOZ-UHFFFAOYSA-N 2 0 196.338 1.884 10 30 ADEERP C[C@H](CC#N)[NH2+]CC[C@H]1CC[N@H+](C)C1 308663624 573662475 /nfs/dbraw/zinc/66/24/75/573662475.db2.gz RGBTYHNIBXGPKO-MNOVXSKESA-N 2 0 195.310 1.220 10 30 ADEERP C[NH+]1CCC([C@@H]([NH3+])C(C)(C)C#N)CC1 259546303 573665048 /nfs/dbraw/zinc/66/50/48/573665048.db2.gz UJMCDXLLDBCOMU-SNVBAGLBSA-N 2 0 195.310 1.205 10 30 ADEERP C[C@@H](CC#N)[NH2+]CC[C@H]1CC[N@H+](C)C1 308663629 573664859 /nfs/dbraw/zinc/66/48/59/573664859.db2.gz RGBTYHNIBXGPKO-QWRGUYRKSA-N 2 0 195.310 1.220 10 30 ADEERP C[NH+]1CCC([C@H]([NH3+])C(C)(C)C#N)CC1 259546300 573667746 /nfs/dbraw/zinc/66/77/46/573667746.db2.gz UJMCDXLLDBCOMU-JTQLQIEISA-N 2 0 195.310 1.205 10 30 ADEERP C=CC[C@H](C)[NH+]1CCC(C[NH3+])CC1 714995019 573670332 /nfs/dbraw/zinc/67/03/32/573670332.db2.gz DPHQNFURINGTBO-JTQLQIEISA-N 2 0 182.311 1.622 10 30 ADEERP C=C(CC[NH3+])CC1CC[NH2+]CC1 258090486 573678037 /nfs/dbraw/zinc/67/80/37/573678037.db2.gz GKOODBXWFICBBB-UHFFFAOYSA-N 2 0 168.284 1.281 10 30 ADEERP C=CCC[C@@H](C)[N@H+](C)CCC[NH3+] 308413044 573678126 /nfs/dbraw/zinc/67/81/26/573678126.db2.gz PKMLTDLLRSBDDI-SNVBAGLBSA-N 2 0 170.300 1.622 10 30 ADEERP C#CC[N@H+](CC1CC1)[C@H](C)CC[NH3+] 130823709 573680168 /nfs/dbraw/zinc/68/01/68/573680168.db2.gz APSCVNLJHNUXDX-SNVBAGLBSA-N 2 0 180.295 1.069 10 30 ADEERP C#CC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]CCC 130836462 573680780 /nfs/dbraw/zinc/68/07/80/573680780.db2.gz ZEIDPJHTCMRFQJ-NWDGAFQWSA-N 2 0 196.338 1.576 10 30 ADEERP C#CC[N@H+](CC1CC1)[C@@H](C)CC[NH3+] 130823479 573681126 /nfs/dbraw/zinc/68/11/26/573681126.db2.gz APSCVNLJHNUXDX-JTQLQIEISA-N 2 0 180.295 1.069 10 30 ADEERP C#CC[N@@H+](C)[C@@H](C)[C@H](C)C[NH2+]CCC 130836653 573683631 /nfs/dbraw/zinc/68/36/31/573683631.db2.gz ZEIDPJHTCMRFQJ-NEPJUHHUSA-N 2 0 196.338 1.576 10 30 ADEERP C#CC[N@H+](CC1CC1)[C@H](C)CC[NH2+]C 130819815 573683718 /nfs/dbraw/zinc/68/37/18/573683718.db2.gz KPFSSVNGBNSCFG-LLVKDONJSA-N 2 0 194.322 1.330 10 30 ADEERP C=CC[C@@H](C)[N@H+]1CCC[C@H]1C[NH2+]C 714996146 573683800 /nfs/dbraw/zinc/68/38/00/573683800.db2.gz OBKLMALMNOICRP-MNOVXSKESA-N 2 0 182.311 1.635 10 30 ADEERP C=CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 714995578 573683855 /nfs/dbraw/zinc/68/38/55/573683855.db2.gz HUZXPSPXXSIMBE-HBNTYKKESA-N 2 0 182.311 1.620 10 30 ADEERP C=CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 714995577 573684085 /nfs/dbraw/zinc/68/40/85/573684085.db2.gz HUZXPSPXXSIMBE-GARJFASQSA-N 2 0 182.311 1.620 10 30 ADEERP C#CC[N@@H+](C)CCCC[NH2+]CCC 130842738 573684422 /nfs/dbraw/zinc/68/44/22/573684422.db2.gz HDHGNNATMTUNSI-UHFFFAOYSA-N 2 0 182.311 1.331 10 30 ADEERP C=CC[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 714995575 573684998 /nfs/dbraw/zinc/68/49/98/573684998.db2.gz HUZXPSPXXSIMBE-AXFHLTTASA-N 2 0 182.311 1.620 10 30 ADEERP C#CC[N@@H+](C)[C@H](C)CCC[NH2+]CC 130855223 573687062 /nfs/dbraw/zinc/68/70/62/573687062.db2.gz NQHFDXZQHYBUJD-LLVKDONJSA-N 2 0 182.311 1.330 10 30 ADEERP C#CC[N@@H+](C)Cc1cccc(C[NH3+])c1 130853164 573688338 /nfs/dbraw/zinc/68/83/38/573688338.db2.gz APGQCWQLQOIIHD-UHFFFAOYSA-N 2 0 188.274 1.210 10 30 ADEERP C#CC[N@@H+](C)CCCCC[NH2+]CCC 130861407 573687975 /nfs/dbraw/zinc/68/79/75/573687975.db2.gz YEFGTDSNDHHGSN-UHFFFAOYSA-N 2 0 196.338 1.721 10 30 ADEERP C#CC[N@@H+](C)[C@@H](C)CCC[NH2+]CC 130855441 573688438 /nfs/dbraw/zinc/68/84/38/573688438.db2.gz NQHFDXZQHYBUJD-NSHDSACASA-N 2 0 182.311 1.330 10 30 ADEERP C#CC[N@@H+](C)[C@H](C)CCC[NH2+]C(C)C 130844563 573689088 /nfs/dbraw/zinc/68/90/88/573689088.db2.gz IIGUWIOTBUJLGW-GFCCVEGCSA-N 2 0 196.338 1.718 10 30 ADEERP C=CC[C@H](C)[N@H+]1CCC[C@H]1C[NH2+]C 714996148 573689328 /nfs/dbraw/zinc/68/93/28/573689328.db2.gz OBKLMALMNOICRP-QWRGUYRKSA-N 2 0 182.311 1.635 10 30 ADEERP C=CC[C@H](C)[N@H+]1CCC[C@@H]1C[NH2+]C 714996150 573689514 /nfs/dbraw/zinc/68/95/14/573689514.db2.gz OBKLMALMNOICRP-WDEREUQCSA-N 2 0 182.311 1.635 10 30 ADEERP C#CC[N@H+](C)CCCC[NH2+]C1CC1 130851510 573689888 /nfs/dbraw/zinc/68/98/88/573689888.db2.gz GQAHULUXGWORBC-UHFFFAOYSA-N 2 0 180.295 1.084 10 30 ADEERP C#CC[N@@H+](C)CCCCC[NH2+]C(C)C 130858411 573690269 /nfs/dbraw/zinc/69/02/69/573690269.db2.gz DRDGDJMUMVGZFB-UHFFFAOYSA-N 2 0 196.338 1.720 10 30 ADEERP C#CC[N@@H+](C)CCCC[NH2+]CC(C)C 130846890 573690471 /nfs/dbraw/zinc/69/04/71/573690471.db2.gz WNWXZRQWTKXQJL-UHFFFAOYSA-N 2 0 196.338 1.577 10 30 ADEERP C=C1CCC[N@@H+](C[C@@H](C)C[NH3+])C1 642818107 573691354 /nfs/dbraw/zinc/69/13/54/573691354.db2.gz UFRDXYOBOCCUAZ-JTQLQIEISA-N 2 0 168.284 1.233 10 30 ADEERP C=C(CC[NH2+]C)C[C@@H]1CC[N@H+](C)C1 258087947 573693812 /nfs/dbraw/zinc/69/38/12/573693812.db2.gz GFFUWTWXMWYUDP-NSHDSACASA-N 2 0 182.311 1.494 10 30 ADEERP C=C(CC[NH2+]C)C[C@H]1CC[N@H+](C)C1 258087944 573694120 /nfs/dbraw/zinc/69/41/20/573694120.db2.gz GFFUWTWXMWYUDP-LLVKDONJSA-N 2 0 182.311 1.494 10 30 ADEERP C=CCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 393550245 573694176 /nfs/dbraw/zinc/69/41/76/573694176.db2.gz XOTDGJFAROVDTF-NSHDSACASA-N 2 0 182.311 1.494 10 30 ADEERP C=CCC[N@@H+](C)CCC[C@H](C)C[NH3+] 393551780 573700878 /nfs/dbraw/zinc/70/08/78/573700878.db2.gz CBJBHHVXOFEGBV-NSHDSACASA-N 2 0 184.327 1.869 10 30 ADEERP C=C(C[NH3+])C[C@H]1CC[N@@H+](CC)C1 258100368 573707310 /nfs/dbraw/zinc/70/73/10/573707310.db2.gz HBWXNNUUYISGTO-SNVBAGLBSA-N 2 0 168.284 1.233 10 30 ADEERP C#CC[N@@H+](CC=C)C[C@H]1CC[C@H]([NH3+])C1 308689032 573707513 /nfs/dbraw/zinc/70/75/13/573707513.db2.gz QTOVEAGWACBTSS-RYUDHWBXSA-N 2 0 192.306 1.235 10 30 ADEERP C#CC[N@@H+](CC=C)C[C@H]1CC[C@@H]([NH3+])C1 308689027 573708624 /nfs/dbraw/zinc/70/86/24/573708624.db2.gz QTOVEAGWACBTSS-NWDGAFQWSA-N 2 0 192.306 1.235 10 30 ADEERP C#CC[N@@H+](CC=C)C[C@@H]1CC[C@@H]([NH3+])C1 308689036 573708758 /nfs/dbraw/zinc/70/87/58/573708758.db2.gz QTOVEAGWACBTSS-VXGBXAGGSA-N 2 0 192.306 1.235 10 30 ADEERP C#CC[N@@H+](CC=C)C[C@@H](C)CCC[NH3+] 308688604 573708974 /nfs/dbraw/zinc/70/89/74/573708974.db2.gz QPMGMDDPVQWZIS-LBPRGKRZSA-N 2 0 194.322 1.483 10 30 ADEERP C[N@@H+]1CC[C@@H](CC[NH2+]CCCC#N)C1 258888775 573709418 /nfs/dbraw/zinc/70/94/18/573709418.db2.gz JBGWSJGKXOCTGF-LLVKDONJSA-N 2 0 195.310 1.222 10 30 ADEERP CC(C)[N@@H+]1CC[C@H](CC#CC[NH3+])C1 258094801 573710392 /nfs/dbraw/zinc/71/03/92/573710392.db2.gz GQSMKSIOCYZXQD-NSHDSACASA-N 2 0 180.295 1.069 10 30 ADEERP C#CCN(CCC)[C@H](C)C[NH2+]CC 130944788 573717302 /nfs/dbraw/zinc/71/73/02/573717302.db2.gz WTAPZRVTEJIHNC-LLVKDONJSA-N 2 0 182.311 1.330 10 30 ADEERP C#CCN(CCC)[C@H](CC)C[NH2+]C 130952537 573715743 /nfs/dbraw/zinc/71/57/43/573715743.db2.gz ZWLCEPBPMMXENE-LLVKDONJSA-N 2 0 182.311 1.330 10 30 ADEERP C=C(C[NH2+]C)C1CC[NH+](C(C)C)CC1 258097588 573716073 /nfs/dbraw/zinc/71/60/73/573716073.db2.gz GWBPCHIESAZYJT-UHFFFAOYSA-N 2 0 196.338 1.882 10 30 ADEERP C#CCC[N@H+]1CC[C@H]([NH2+]CC)C[C@H]1C 69790749 573716198 /nfs/dbraw/zinc/71/61/98/573716198.db2.gz OKCXLYRMEFXUNL-NEPJUHHUSA-N 2 0 194.322 1.472 10 30 ADEERP C#CCN(CCC)[C@@H](C)C[NH2+]CC 130944581 573716557 /nfs/dbraw/zinc/71/65/57/573716557.db2.gz WTAPZRVTEJIHNC-NSHDSACASA-N 2 0 182.311 1.330 10 30 ADEERP C#CC[N@@H+](CCC)CC(C)(C)C[NH2+]C 130949896 573716582 /nfs/dbraw/zinc/71/65/82/573716582.db2.gz GKBWJCWSSUUPHH-UHFFFAOYSA-N 2 0 196.338 1.577 10 30 ADEERP C#CCN(CCC)[C@H](C)C[NH2+]C1CC1 130949463 573716746 /nfs/dbraw/zinc/71/67/46/573716746.db2.gz DXHJOCSMDQSTQP-LLVKDONJSA-N 2 0 194.322 1.472 10 30 ADEERP C#CCN(CCC)[C@@H](CC)C[NH2+]CC 130942807 573716961 /nfs/dbraw/zinc/71/69/61/573716961.db2.gz FSBMKHNZKBJBNS-LBPRGKRZSA-N 2 0 196.338 1.720 10 30 ADEERP C#CCN(CCC)[C@H](CC)C[NH2+]CC 130943027 573717134 /nfs/dbraw/zinc/71/71/34/573717134.db2.gz FSBMKHNZKBJBNS-GFCCVEGCSA-N 2 0 196.338 1.720 10 30 ADEERP C#CC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C(C)C 130864591 573717282 /nfs/dbraw/zinc/71/72/82/573717282.db2.gz QVPDYLYIYOVATP-RYUDHWBXSA-N 2 0 196.338 1.574 10 30 ADEERP C#CC[N@@H+](C)[C@@H](C)[C@H](C)C[NH2+]CC 130872471 573717355 /nfs/dbraw/zinc/71/73/55/573717355.db2.gz UZRSGYGPBSOIPH-MNOVXSKESA-N 2 0 182.311 1.186 10 30 ADEERP C#CC[N@@H+](CCC)[C@H](C)CCC[NH2+]C 130962986 573717616 /nfs/dbraw/zinc/71/76/16/573717616.db2.gz IOUKWIGYWLWAKP-GFCCVEGCSA-N 2 0 196.338 1.720 10 30 ADEERP C=CC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 308679738 573717767 /nfs/dbraw/zinc/71/77/67/573717767.db2.gz XIPMBOITSXSGTG-LLVKDONJSA-N 2 0 194.322 1.803 10 30 ADEERP C#CC[N@@H+](C)[C@H](C)[C@H](C)C[NH2+]C(C)C 130864009 573717924 /nfs/dbraw/zinc/71/79/24/573717924.db2.gz QVPDYLYIYOVATP-VXGBXAGGSA-N 2 0 196.338 1.574 10 30 ADEERP C#CC[N@@H+](CCC)[C@H](C)CC[NH2+]C 130942396 573718000 /nfs/dbraw/zinc/71/80/00/573718000.db2.gz SHPFQEKKDFDAAM-LLVKDONJSA-N 2 0 182.311 1.330 10 30 ADEERP C#CC[N@@H+](C)CCCCCC[NH2+]CC 130875447 573718248 /nfs/dbraw/zinc/71/82/48/573718248.db2.gz GNQPBDZVHDHTFL-UHFFFAOYSA-N 2 0 196.338 1.721 10 30 ADEERP C#CC[N@@H+](C)[C@H](C)[C@H](C)C[NH2+]CC 130872076 573718336 /nfs/dbraw/zinc/71/83/36/573718336.db2.gz UZRSGYGPBSOIPH-GHMZBOCLSA-N 2 0 182.311 1.186 10 30 ADEERP C#CC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C(C)C 130864187 573718407 /nfs/dbraw/zinc/71/84/07/573718407.db2.gz QVPDYLYIYOVATP-NWDGAFQWSA-N 2 0 196.338 1.574 10 30 ADEERP C#CC[N@@H+](CC)[C@H](C)CCC[NH3+] 130900700 573720364 /nfs/dbraw/zinc/72/03/64/573720364.db2.gz ZLVSCPCIXHHZIE-SNVBAGLBSA-N 2 0 168.284 1.069 10 30 ADEERP C#CC[N@H+](C)CCCCC[NH2+]C1CC1 130877887 573719617 /nfs/dbraw/zinc/71/96/17/573719617.db2.gz QVLYCMFLAWAWFE-UHFFFAOYSA-N 2 0 194.322 1.474 10 30 ADEERP C[C@@H](CCCC[NH+](C)C)[NH2+]CCC#N 308680943 573719936 /nfs/dbraw/zinc/71/99/36/573719936.db2.gz XOHATFMGXLHVNO-NSHDSACASA-N 2 0 197.326 1.610 10 30 ADEERP C=C(C[NH2+]C)[C@H]1CCC[N@@H+](C(C)C)C1 258104694 573719997 /nfs/dbraw/zinc/71/99/97/573719997.db2.gz HFZFVMBPLXDLSC-LBPRGKRZSA-N 2 0 196.338 1.882 10 30 ADEERP C#CCN(C)C[C@H](C)C[NH2+]C(C)(C)C 130884506 573720007 /nfs/dbraw/zinc/72/00/07/573720007.db2.gz KIFLGJIWFCNBGN-LLVKDONJSA-N 2 0 196.338 1.576 10 30 ADEERP C#CCN(C)C[C@@H](C)C[NH2+]CC(C)C 130884006 573720260 /nfs/dbraw/zinc/72/02/60/573720260.db2.gz VZAHXFDFWZRIER-LBPRGKRZSA-N 2 0 196.338 1.433 10 30 ADEERP C#CCN(C)C[C@H](C)C[NH2+]CC(C)C 130883771 573720285 /nfs/dbraw/zinc/72/02/85/573720285.db2.gz VZAHXFDFWZRIER-GFCCVEGCSA-N 2 0 196.338 1.433 10 30 ADEERP C[C@H](CCCC[NH+](C)C)[NH2+]CCC#N 308680942 573720313 /nfs/dbraw/zinc/72/03/13/573720313.db2.gz XOHATFMGXLHVNO-LLVKDONJSA-N 2 0 197.326 1.610 10 30 ADEERP C#CC[N@@H+](C)[C@H](C)[C@H](C)C[NH2+]C1CC1 130882237 573720622 /nfs/dbraw/zinc/72/06/22/573720622.db2.gz SOPXWXUQYULLJH-GHMZBOCLSA-N 2 0 194.322 1.328 10 30 ADEERP C#CC[N@@H+](C)[C@@H](C)[C@H](C)C[NH2+]C1CC1 130882646 573721560 /nfs/dbraw/zinc/72/15/60/573721560.db2.gz SOPXWXUQYULLJH-MNOVXSKESA-N 2 0 194.322 1.328 10 30 ADEERP C#CC[N@@H+](CC)CCCC[NH2+]CC 130896748 573721717 /nfs/dbraw/zinc/72/17/17/573721717.db2.gz GBOHJZCANDORLP-UHFFFAOYSA-N 2 0 182.311 1.331 10 30 ADEERP C#CC[N@@H+](CC)C[C@H](C)C[NH2+]C(C)C 130902722 573722007 /nfs/dbraw/zinc/72/20/07/573722007.db2.gz QKJXLTJRIGXVAC-GFCCVEGCSA-N 2 0 196.338 1.576 10 30 ADEERP C#CC[N@@H+](CC)[C@@H](C)CCC[NH3+] 130900490 573722190 /nfs/dbraw/zinc/72/21/90/573722190.db2.gz ZLVSCPCIXHHZIE-JTQLQIEISA-N 2 0 168.284 1.069 10 30 ADEERP C#CCN(C)[C@@H](C[NH2+]CC)C(C)C 130885014 573722944 /nfs/dbraw/zinc/72/29/44/573722944.db2.gz BZKIVGQLDLEMLC-NSHDSACASA-N 2 0 182.311 1.186 10 30 ADEERP C#CC[N@@H+](CC)CCCC[NH2+]CCC 130898051 573723094 /nfs/dbraw/zinc/72/30/94/573723094.db2.gz LLBKGTVXECGNMI-UHFFFAOYSA-N 2 0 196.338 1.721 10 30 ADEERP C#CCN(C)C[C@@H](C)C[NH2+]C(C)(C)C 130884260 573723343 /nfs/dbraw/zinc/72/33/43/573723343.db2.gz KIFLGJIWFCNBGN-NSHDSACASA-N 2 0 196.338 1.576 10 30 ADEERP C#CC[N@@H+](C)[C@H](C)CCC[NH2+]C1CC1 130880004 573724679 /nfs/dbraw/zinc/72/46/79/573724679.db2.gz VHYOBEKYRDOEGO-LLVKDONJSA-N 2 0 194.322 1.472 10 30 ADEERP C=C(C[NH2+]C)C[C@H]1CCC[N@@H+]1C 258109073 573725651 /nfs/dbraw/zinc/72/56/51/573725651.db2.gz HOJQCUGPVBXOLI-SNVBAGLBSA-N 2 0 168.284 1.246 10 30 ADEERP C#CC[N@@H+](CC)[C@H](C)CC[NH2+]C1CC1 130909712 573726300 /nfs/dbraw/zinc/72/63/00/573726300.db2.gz PGRUOLOCAASGKX-LLVKDONJSA-N 2 0 194.322 1.472 10 30 ADEERP C#CC[N@H+](CC)CCCCCC[NH2+]C 130917844 573728566 /nfs/dbraw/zinc/72/85/66/573728566.db2.gz KPAYEWFDQMCJHU-UHFFFAOYSA-N 2 0 196.338 1.721 10 30 ADEERP C#CC[N@@H+](CC)C[C@@H](C)C[NH2+]C1CC1 130908579 573728591 /nfs/dbraw/zinc/72/85/91/573728591.db2.gz WBKNHPVCVOYGCK-NSHDSACASA-N 2 0 194.322 1.330 10 30 ADEERP C=C(C[NH2+]C)C[C@@H]1CCC[N@@H+]1C 258109071 573728731 /nfs/dbraw/zinc/72/87/31/573728731.db2.gz HOJQCUGPVBXOLI-JTQLQIEISA-N 2 0 168.284 1.246 10 30 ADEERP C#CC[N@@H+](CC)CCCCC[NH2+]CC 130903385 573730128 /nfs/dbraw/zinc/73/01/28/573730128.db2.gz UJTGXBXRXCFIGL-UHFFFAOYSA-N 2 0 196.338 1.721 10 30 ADEERP C#CC[N@@H+](CC)[C@@H](C)[C@H](C)C[NH2+]CC 130920013 573734130 /nfs/dbraw/zinc/73/41/30/573734130.db2.gz DLNPQECJPGNZGK-NEPJUHHUSA-N 2 0 196.338 1.576 10 30 ADEERP C#CCN(CC)[C@@H](C[NH2+]C)C(C)C 130925335 573733454 /nfs/dbraw/zinc/73/34/54/573733454.db2.gz QDDQKPGFGJXZGU-NSHDSACASA-N 2 0 182.311 1.186 10 30 ADEERP C#CCN(CC)[C@H](CC)C[NH2+]CCC 130921745 573733994 /nfs/dbraw/zinc/73/39/94/573733994.db2.gz YXGHDMZKNCUFJS-GFCCVEGCSA-N 2 0 196.338 1.720 10 30 ADEERP C#CC[N@@H+](CC)[C@H](C)[C@H](C)C[NH2+]CC 130919618 573734605 /nfs/dbraw/zinc/73/46/05/573734605.db2.gz DLNPQECJPGNZGK-VXGBXAGGSA-N 2 0 196.338 1.576 10 30 ADEERP C#CC[N@H+](CC)CCCCC[NH2+]C 130924674 573734633 /nfs/dbraw/zinc/73/46/33/573734633.db2.gz SUZTXSPORHDCKS-UHFFFAOYSA-N 2 0 182.311 1.331 10 30 ADEERP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCC#N 126906753 573735827 /nfs/dbraw/zinc/73/58/27/573735827.db2.gz YQNBWHFUVNMAKO-WDEREUQCSA-N 2 0 195.310 1.349 10 30 ADEERP C#CC[N@@H+](CCC)[C@H](C)CCC[NH3+] 130939182 573736803 /nfs/dbraw/zinc/73/68/03/573736803.db2.gz HTKHKAAHQMEXFZ-LLVKDONJSA-N 2 0 182.311 1.459 10 30 ADEERP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCC#N 126906532 573737126 /nfs/dbraw/zinc/73/71/26/573737126.db2.gz YQNBWHFUVNMAKO-GHMZBOCLSA-N 2 0 195.310 1.349 10 30 ADEERP C=C(CC[NH3+])[C@H]1CCCC[N@H+]1CC 258114362 573737320 /nfs/dbraw/zinc/73/73/20/573737320.db2.gz HYUAPJJFJNFFIL-LLVKDONJSA-N 2 0 182.311 1.766 10 30 ADEERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCC#N 126906970 573741599 /nfs/dbraw/zinc/74/15/99/573741599.db2.gz YQNBWHFUVNMAKO-MNOVXSKESA-N 2 0 195.310 1.349 10 30 ADEERP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCC#N 126907176 573742086 /nfs/dbraw/zinc/74/20/86/573742086.db2.gz YQNBWHFUVNMAKO-QWRGUYRKSA-N 2 0 195.310 1.349 10 30 ADEERP C=C[C@H](C)N1CCC[C@H]2C[NH2+]CC[C@H]21 715007153 573743630 /nfs/dbraw/zinc/74/36/30/573743630.db2.gz MKYPZSCJAMAVAY-SDDRHHMPSA-N 2 0 194.322 1.635 10 30 ADEERP C=C[C@H](C)N1C[C@H](C)C[C@@H]([NH3+])C1 87041951 573746852 /nfs/dbraw/zinc/74/68/52/573746852.db2.gz CCAVRUPTVDYPQM-KXUCPTDWSA-N 2 0 168.284 1.230 10 30 ADEERP C=CC[N@H+]1CCC[C@@H](C[NH2+]C)C1(C)C 259175852 573749570 /nfs/dbraw/zinc/74/95/70/573749570.db2.gz AUXPBASUNPZRHM-NSHDSACASA-N 2 0 196.338 1.882 10 30 ADEERP C=CC[N@H+]1CCC[C@H](C[NH2+]C)C1(C)C 259175850 573752902 /nfs/dbraw/zinc/75/29/02/573752902.db2.gz AUXPBASUNPZRHM-LLVKDONJSA-N 2 0 196.338 1.882 10 30 ADEERP C=C1CCC[N@@H+](C[C@H](C)[C@H](C)[NH3+])C1 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/nfs/dbraw/zinc/76/25/35/573762535.db2.gz IODUMRMMGWUOBV-SNVBAGLBSA-N 2 0 168.284 1.233 10 30 ADEERP C=C(CC[NH3+])[C@H]1CC[N@@H+](CC)C1 258123263 573762522 /nfs/dbraw/zinc/76/25/22/573762522.db2.gz IODUMRMMGWUOBV-JTQLQIEISA-N 2 0 168.284 1.233 10 30 ADEERP CC(C)[N@@H+]1CCC[C@@H](C#CC[NH3+])C1 258123174 573764723 /nfs/dbraw/zinc/76/47/23/573764723.db2.gz INBGRMNMSUVJJI-LLVKDONJSA-N 2 0 180.295 1.069 10 30 ADEERP C=C(CC)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126976289 573765275 /nfs/dbraw/zinc/76/52/75/573765275.db2.gz LCZUEAZVMQVHMQ-QWRGUYRKSA-N 2 0 182.311 1.622 10 30 ADEERP C=CC[N@H+]1C[C@H](C[NH3+])CC1(C)C 259567241 573776059 /nfs/dbraw/zinc/77/60/59/573776059.db2.gz YJXMIRNNBGKIPH-VIFPVBQESA-N 2 0 168.284 1.232 10 30 ADEERP CC[N@@H+]1CCC[C@H]1CC#CC[NH2+]C 258118454 573777683 /nfs/dbraw/zinc/77/76/83/573777683.db2.gz IFNSFRKJSOOIKK-LLVKDONJSA-N 2 0 180.295 1.084 10 30 ADEERP Cc1cc([C@@H](N)C[NH3+])c(C)cc1C#N 238512299 573779738 /nfs/dbraw/zinc/77/97/38/573779738.db2.gz XNNXJFMBXZWRCK-NSHDSACASA-N 2 0 189.262 1.134 10 30 ADEERP CC[N@@H+]1CCC[C@@H]1CC#CC[NH2+]C 258118457 573780274 /nfs/dbraw/zinc/78/02/74/573780274.db2.gz IFNSFRKJSOOIKK-NSHDSACASA-N 2 0 180.295 1.084 10 30 ADEERP C=C(C)C[NH2+][C@@H]1CN(CC)C[C@@H]1C 308440236 573788191 /nfs/dbraw/zinc/78/81/91/573788191.db2.gz YQPZGVDLQIVHQO-WDEREUQCSA-N 2 0 182.311 1.492 10 30 ADEERP C=C(C)C[NH2+][C@H]1CN(CC)C[C@H]1C 308440234 573788404 /nfs/dbraw/zinc/78/84/04/573788404.db2.gz YQPZGVDLQIVHQO-MNOVXSKESA-N 2 0 182.311 1.492 10 30 ADEERP C=C(C)C[NH2+][C@H]1CN(CC)C[C@@H]1C 308440235 573791981 /nfs/dbraw/zinc/79/19/81/573791981.db2.gz YQPZGVDLQIVHQO-QWRGUYRKSA-N 2 0 182.311 1.492 10 30 ADEERP C=C(C)[C@@H]1CC[C@](C)([NH3+])[C@@H]([NH3+])C1 238125956 573796736 /nfs/dbraw/zinc/79/67/36/573796736.db2.gz YSRYTSMGSHUDCE-UTLUCORTSA-N 2 0 168.284 1.407 10 30 ADEERP CC#CC[NH2+][C@H](CC)c1cncn1C 308730043 573796939 /nfs/dbraw/zinc/79/69/39/573796939.db2.gz IUYSZTBKPNWPOT-SNVBAGLBSA-N 2 0 191.278 1.484 10 30 ADEERP C=CC[N@H+]1CC[C@@H](C[NH3+])C1(C)C 259190679 573797084 /nfs/dbraw/zinc/79/70/84/573797084.db2.gz BPMPPJVUVISQMN-VIFPVBQESA-N 2 0 168.284 1.232 10 30 ADEERP C=CC[N@H+]1CC[C@H](C[NH2+]C)CC1(C)C 259193651 573801668 /nfs/dbraw/zinc/80/16/68/573801668.db2.gz BRHCJEIJTBXDNT-NSHDSACASA-N 2 0 196.338 1.882 10 30 ADEERP C=C(CC[NH2+]C)C[C@@H]1CCC[N@H+](C)C1 258144725 573813016 /nfs/dbraw/zinc/81/30/16/573813016.db2.gz JZKMDXBZDSDKLT-LBPRGKRZSA-N 2 0 196.338 1.884 10 30 ADEERP C=C(C[NH2+]C)[C@@H]1CCC[N@@H+]1C(C)C 258136343 573811197 /nfs/dbraw/zinc/81/11/97/573811197.db2.gz JHBXRSSORBDMTN-NSHDSACASA-N 2 0 182.311 1.635 10 30 ADEERP C#CC[N@H+](CC)CCC[C@@H](C)C[NH3+] 131314681 573813023 /nfs/dbraw/zinc/81/30/23/573813023.db2.gz SHZGITZNWHDGJT-LLVKDONJSA-N 2 0 182.311 1.317 10 30 ADEERP C#CC[N@H+](CCC)CCC[C@H](C)C[NH3+] 131315411 573812870 /nfs/dbraw/zinc/81/28/70/573812870.db2.gz VHHRXNBKZUOJEZ-LBPRGKRZSA-N 2 0 196.338 1.707 10 30 ADEERP C=CC[N@@H+](C)CCC[C@H](C)C[NH3+] 131315617 573814528 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/nfs/dbraw/zinc/62/41/87/352624187.db2.gz OHXGNXKSQCLPIL-WDEREUQCSA-N 2 0 180.295 1.211 10 30 ADEERP C=C(C)CN1CCCCC[C@H]([NH3+])C1 575546051 352624348 /nfs/dbraw/zinc/62/43/48/352624348.db2.gz LVXLMNRFJQIRHL-NSHDSACASA-N 2 0 182.311 1.766 10 30 ADEERP C#C[C@H](C)N1CCCCC[C@H]([NH3+])C1 575546202 352624418 /nfs/dbraw/zinc/62/44/18/352624418.db2.gz OHXGNXKSQCLPIL-QWRGUYRKSA-N 2 0 180.295 1.211 10 30 ADEERP C#C[C@@H](C)N1CCCCC[C@@H]([NH3+])C1 575546199 352624487 /nfs/dbraw/zinc/62/44/87/352624487.db2.gz OHXGNXKSQCLPIL-GHMZBOCLSA-N 2 0 180.295 1.211 10 30 ADEERP C#C[C@@H](C)N1CCCCC[C@H]([NH3+])C1 575546201 352624529 /nfs/dbraw/zinc/62/45/29/352624529.db2.gz OHXGNXKSQCLPIL-MNOVXSKESA-N 2 0 180.295 1.211 10 30 ADEERP C=C[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 575556005 352658219 /nfs/dbraw/zinc/65/82/19/352658219.db2.gz FHRAEBFYVCBROG-GARJFASQSA-N 2 0 180.295 1.102 10 30 ADEERP C=C[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 575556003 352658431 /nfs/dbraw/zinc/65/84/31/352658431.db2.gz FHRAEBFYVCBROG-DCAQKATOSA-N 2 0 180.295 1.102 10 30 ADEERP C=C[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 575556007 352658466 /nfs/dbraw/zinc/65/84/66/352658466.db2.gz FHRAEBFYVCBROG-HBNTYKKESA-N 2 0 180.295 1.102 10 30 ADEERP C=C[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 575556002 352658529 /nfs/dbraw/zinc/65/85/29/352658529.db2.gz FHRAEBFYVCBROG-AXFHLTTASA-N 2 0 180.295 1.102 10 30 ADEERP C=C(C)C[N@H+]1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575556492 352660322 /nfs/dbraw/zinc/66/03/22/352660322.db2.gz YFRRSTJLVGRJGV-URLYPYJESA-N 2 0 182.311 1.478 10 30 ADEERP C=C(C)C[NH+]1C[C@@H](C)C([NH3+])[C@H](C)C1 575556490 352660355 /nfs/dbraw/zinc/66/03/55/352660355.db2.gz YFRRSTJLVGRJGV-NXEZZACHSA-N 2 0 182.311 1.478 10 30 ADEERP C=C(C)C[NH+]1C[C@H](C)C([NH3+])[C@@H](C)C1 575556498 352660413 /nfs/dbraw/zinc/66/04/13/352660413.db2.gz YFRRSTJLVGRJGV-UWVGGRQHSA-N 2 0 182.311 1.478 10 30 ADEERP C=C(C)C[N@@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 575557744 352665186 /nfs/dbraw/zinc/66/51/86/352665186.db2.gz OEDSUHFAHCFREW-GHMZBOCLSA-N 2 0 180.295 1.104 10 30 ADEERP C=C(C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 575557763 352665708 /nfs/dbraw/zinc/66/57/08/352665708.db2.gz OEDSUHFAHCFREW-QWRGUYRKSA-N 2 0 180.295 1.104 10 30 ADEERP C=C(C)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 575557754 352665743 /nfs/dbraw/zinc/66/57/43/352665743.db2.gz OEDSUHFAHCFREW-MNOVXSKESA-N 2 0 180.295 1.104 10 30 ADEERP C=C(C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 575557766 352665781 /nfs/dbraw/zinc/66/57/81/352665781.db2.gz OEDSUHFAHCFREW-WDEREUQCSA-N 2 0 180.295 1.104 10 30 ADEERP C#C[C@@H](N1CC[C@@H]([NH3+])C1)C(C)(C)C 575563144 352689315 /nfs/dbraw/zinc/68/93/15/352689315.db2.gz FYZWJWLUBLRNIA-NXEZZACHSA-N 2 0 180.295 1.067 10 30 ADEERP C#C[C@H](N1CC[C@@H]([NH3+])C1)C(C)(C)C 575563147 352689344 /nfs/dbraw/zinc/68/93/44/352689344.db2.gz FYZWJWLUBLRNIA-ZJUUUORDSA-N 2 0 180.295 1.067 10 30 ADEERP C#C[C@@H](N1CC[C@H]([NH3+])C1)C(C)(C)C 575563146 352689540 /nfs/dbraw/zinc/68/95/40/352689540.db2.gz FYZWJWLUBLRNIA-VHSXEESVSA-N 2 0 180.295 1.067 10 30 ADEERP C#C[C@H](N1CC[C@H]([NH3+])C1)C(C)(C)C 575563145 352689677 /nfs/dbraw/zinc/68/96/77/352689677.db2.gz FYZWJWLUBLRNIA-UWVGGRQHSA-N 2 0 180.295 1.067 10 30 ADEERP CC#CCC[NH+]1CCC(C)([NH3+])CC1 575568183 352715166 /nfs/dbraw/zinc/71/51/66/352715166.db2.gz MPZQHGHEDJSTDJ-UHFFFAOYSA-N 2 0 180.295 1.213 10 30 ADEERP C#C[C@@H](CC)[NH+]1CCC(C)([NH3+])CC1 575569825 352722501 /nfs/dbraw/zinc/72/25/01/352722501.db2.gz RCYLNDBKJMRBPQ-JTQLQIEISA-N 2 0 180.295 1.211 10 30 ADEERP C#C[C@H](CC)[NH+]1CCC(C)([NH3+])CC1 575569838 352722527 /nfs/dbraw/zinc/72/25/27/352722527.db2.gz RCYLNDBKJMRBPQ-SNVBAGLBSA-N 2 0 180.295 1.211 10 30 ADEERP C=C[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 575571487 352730989 /nfs/dbraw/zinc/73/09/89/352730989.db2.gz VVWOMYXMSRHUQQ-SECBINFHSA-N 2 0 168.284 1.374 10 30 ADEERP C=C[C@H](C)[NH+]1CCC(C)([NH3+])CC1 575571488 352731007 /nfs/dbraw/zinc/73/10/07/352731007.db2.gz VVWOMYXMSRHUQQ-VIFPVBQESA-N 2 0 168.284 1.374 10 30 ADEERP C=CCCC[NH+]1CCC2(CC[NH2+]2)CC1 643440752 352951899 /nfs/dbraw/zinc/95/18/99/352951899.db2.gz LSSIPSNVVZGVPI-UHFFFAOYSA-N 2 0 194.322 1.781 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643470567 352958874 /nfs/dbraw/zinc/95/88/74/352958874.db2.gz PANSUHCHRGXXSS-TUAOUCFPSA-N 2 0 196.338 1.929 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643470564 352959115 /nfs/dbraw/zinc/95/91/15/352959115.db2.gz PANSUHCHRGXXSS-QJPTWQEYSA-N 2 0 196.338 1.929 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 643470566 352959271 /nfs/dbraw/zinc/95/92/71/352959271.db2.gz PANSUHCHRGXXSS-SRVKXCTJSA-N 2 0 196.338 1.929 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 643470565 352959281 /nfs/dbraw/zinc/95/92/81/352959281.db2.gz PANSUHCHRGXXSS-SDDRHHMPSA-N 2 0 196.338 1.929 10 30 ADEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 643486357 352962578 /nfs/dbraw/zinc/96/25/78/352962578.db2.gz HBBISEHAGNYFIW-NWDGAFQWSA-N 2 0 196.338 1.930 10 30 ADEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643486359 352962730 /nfs/dbraw/zinc/96/27/30/352962730.db2.gz HBBISEHAGNYFIW-VXGBXAGGSA-N 2 0 196.338 1.930 10 30 ADEERP C=CCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643486356 352962872 /nfs/dbraw/zinc/96/28/72/352962872.db2.gz HBBISEHAGNYFIW-NEPJUHHUSA-N 2 0 196.338 1.930 10 30 ADEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 643486358 352962889 /nfs/dbraw/zinc/96/28/89/352962889.db2.gz HBBISEHAGNYFIW-RYUDHWBXSA-N 2 0 196.338 1.930 10 30 ADEERP C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 643492792 352965992 /nfs/dbraw/zinc/96/59/92/352965992.db2.gz GDUIOWAZOSRBEK-UWVGGRQHSA-N 2 0 182.311 1.668 10 30 ADEERP C=CC(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] 643492794 352966148 /nfs/dbraw/zinc/96/61/48/352966148.db2.gz GDUIOWAZOSRBEK-ZJUUUORDSA-N 2 0 182.311 1.668 10 30 ADEERP C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 643492793 352966184 /nfs/dbraw/zinc/96/61/84/352966184.db2.gz GDUIOWAZOSRBEK-VHSXEESVSA-N 2 0 182.311 1.668 10 30 ADEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 643492489 352966350 /nfs/dbraw/zinc/96/63/50/352966350.db2.gz FKAIMXZQYSFPEU-NEPJUHHUSA-N 2 0 196.338 1.930 10 30 ADEERP C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 643492791 352966441 /nfs/dbraw/zinc/96/64/41/352966441.db2.gz GDUIOWAZOSRBEK-NXEZZACHSA-N 2 0 182.311 1.668 10 30 ADEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643492492 352966461 /nfs/dbraw/zinc/96/64/61/352966461.db2.gz FKAIMXZQYSFPEU-VXGBXAGGSA-N 2 0 196.338 1.930 10 30 ADEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 643492490 352966563 /nfs/dbraw/zinc/96/65/63/352966563.db2.gz FKAIMXZQYSFPEU-NWDGAFQWSA-N 2 0 196.338 1.930 10 30 ADEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 643492491 352966605 /nfs/dbraw/zinc/96/66/05/352966605.db2.gz FKAIMXZQYSFPEU-RYUDHWBXSA-N 2 0 196.338 1.930 10 30 ADEERP C=C(CC)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 643493460 352967013 /nfs/dbraw/zinc/96/70/13/352967013.db2.gz GMSWVWINMNIATA-NWDGAFQWSA-N 2 0 196.338 1.930 10 30 ADEERP C=C(CC)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 643493462 352967361 /nfs/dbraw/zinc/96/73/61/352967361.db2.gz GMSWVWINMNIATA-VXGBXAGGSA-N 2 0 196.338 1.930 10 30 ADEERP C=C(CC)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 643493461 352967397 /nfs/dbraw/zinc/96/73/97/352967397.db2.gz GMSWVWINMNIATA-RYUDHWBXSA-N 2 0 196.338 1.930 10 30 ADEERP C=CC[C@@H](C)[C@H](C)[NH2+]CCC[NH3+] 643496655 352970024 /nfs/dbraw/zinc/97/00/24/352970024.db2.gz IXBNUUJDCXLRHL-ZJUUUORDSA-N 2 0 170.300 1.526 10 30 ADEERP C=CC[C@H](C)[C@@H](C)[NH2+]CCC[NH3+] 643496654 352970051 /nfs/dbraw/zinc/97/00/51/352970051.db2.gz IXBNUUJDCXLRHL-VHSXEESVSA-N 2 0 170.300 1.526 10 30 ADEERP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH3+] 643496652 352970110 /nfs/dbraw/zinc/97/01/10/352970110.db2.gz IXBNUUJDCXLRHL-NXEZZACHSA-N 2 0 170.300 1.526 10 30 ADEERP C=CCC[C@H]([NH2+]CCC[NH3+])C1CC1 643496697 352970319 /nfs/dbraw/zinc/97/03/19/352970319.db2.gz GFPQWXODQIGVAR-NSHDSACASA-N 2 0 182.311 1.670 10 30 ADEERP C=CCC[C@@H]([NH2+]CCC[NH3+])C1CC1 643496696 352970438 /nfs/dbraw/zinc/97/04/38/352970438.db2.gz GFPQWXODQIGVAR-LLVKDONJSA-N 2 0 182.311 1.670 10 30 ADEERP C=CC[C@H](C)[C@H](C)[NH2+]CCC[NH3+] 643496653 352970456 /nfs/dbraw/zinc/97/04/56/352970456.db2.gz IXBNUUJDCXLRHL-UWVGGRQHSA-N 2 0 170.300 1.526 10 30 ADEERP C=CCC[C@H](CC)[NH2+]CCC[NH3+] 643496663 352970511 /nfs/dbraw/zinc/97/05/11/352970511.db2.gz QZACWULCLHZMRB-JTQLQIEISA-N 2 0 170.300 1.670 10 30 ADEERP C=CCC[C@@H](CC)[NH2+]CCC[NH3+] 643496664 352970595 /nfs/dbraw/zinc/97/05/95/352970595.db2.gz QZACWULCLHZMRB-SNVBAGLBSA-N 2 0 170.300 1.670 10 30 ADEERP C=CCC[C@H]([NH2+]CC1C[NH2+]C1)C1CC1 643516113 352987276 /nfs/dbraw/zinc/98/72/76/352987276.db2.gz HHMJRBABMJDXBL-LBPRGKRZSA-N 2 0 194.322 1.540 10 30 ADEERP C=CCC[C@H](CCC)[NH2+]CC1C[NH2+]C1 643515968 352987463 /nfs/dbraw/zinc/98/74/63/352987463.db2.gz DHVNODPOFPREIG-LBPRGKRZSA-N 2 0 196.338 1.930 10 30 ADEERP C=CCC[C@@H](CCC)[NH2+]CC1C[NH2+]C1 643515967 352987518 /nfs/dbraw/zinc/98/75/18/352987518.db2.gz DHVNODPOFPREIG-GFCCVEGCSA-N 2 0 196.338 1.930 10 30 ADEERP C=CCC[C@@H]([NH2+]CC1C[NH2+]C1)C1CC1 643516112 352987617 /nfs/dbraw/zinc/98/76/17/352987617.db2.gz HHMJRBABMJDXBL-GFCCVEGCSA-N 2 0 194.322 1.540 10 30 ADEERP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] 643539924 353001553 /nfs/dbraw/zinc/00/15/53/353001553.db2.gz VDAPTKIWMZQMDL-NAKRPEOUSA-N 2 0 184.327 1.912 10 30 ADEERP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] 643539926 353001608 /nfs/dbraw/zinc/00/16/08/353001608.db2.gz VDAPTKIWMZQMDL-XWLWVQCSSA-N 2 0 184.327 1.912 10 30 ADEERP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] 643539925 353001696 /nfs/dbraw/zinc/00/16/96/353001696.db2.gz VDAPTKIWMZQMDL-VLEAKVRGSA-N 2 0 184.327 1.912 10 30 ADEERP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] 643539927 353001718 /nfs/dbraw/zinc/00/17/18/353001718.db2.gz VDAPTKIWMZQMDL-ZRUFSTJUSA-N 2 0 184.327 1.912 10 30 ADEERP C=CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 167659534 371683592 /nfs/dbraw/zinc/68/35/92/371683592.db2.gz HNUCQMPKQIVRPZ-ZJUUUORDSA-N 2 0 168.284 1.089 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 169129598 371684734 /nfs/dbraw/zinc/68/47/34/371684734.db2.gz DYRZEXFUJMZRNA-QWRGUYRKSA-N 2 0 182.311 1.683 10 30 ADEERP C=CC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 169129657 371684840 /nfs/dbraw/zinc/68/48/40/371684840.db2.gz DYRZEXFUJMZRNA-MNOVXSKESA-N 2 0 182.311 1.683 10 30 ADEERP C=CC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 169129515 371685108 /nfs/dbraw/zinc/68/51/08/371685108.db2.gz DYRZEXFUJMZRNA-GHMZBOCLSA-N 2 0 182.311 1.683 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 169129460 371685226 /nfs/dbraw/zinc/68/52/26/371685226.db2.gz DYRZEXFUJMZRNA-WDEREUQCSA-N 2 0 182.311 1.683 10 30 ADEERP C=CC[NH+]1CCC([C@H](C)[NH3+])CC1 82474912 375363428 /nfs/dbraw/zinc/36/34/28/375363428.db2.gz FTNDVQOPXFYBJN-VIFPVBQESA-N 2 0 168.284 1.232 10 30 ADEERP C=CCCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400345200 375504908 /nfs/dbraw/zinc/50/49/08/375504908.db2.gz IGPCPYYCGQWMQW-NEPJUHHUSA-N 2 0 196.338 1.930 10 30 ADEERP C=CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 306512808 375451958 /nfs/dbraw/zinc/45/19/58/375451958.db2.gz QQYORVIJEKGQFS-TXEJJXNPSA-N 2 0 194.322 1.494 10 30 ADEERP C=CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 306994143 375463602 /nfs/dbraw/zinc/46/36/02/375463602.db2.gz MTMYWBXTPWZTTP-NSHDSACASA-N 2 0 180.295 1.200 10 30 ADEERP C=CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 306994142 375463787 /nfs/dbraw/zinc/46/37/87/375463787.db2.gz MTMYWBXTPWZTTP-LLVKDONJSA-N 2 0 180.295 1.200 10 30 ADEERP C=CCCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400345204 375504711 /nfs/dbraw/zinc/50/47/11/375504711.db2.gz IGPCPYYCGQWMQW-RYUDHWBXSA-N 2 0 196.338 1.930 10 30 ADEERP C=CCCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400345206 375504756 /nfs/dbraw/zinc/50/47/56/375504756.db2.gz IGPCPYYCGQWMQW-VXGBXAGGSA-N 2 0 196.338 1.930 10 30 ADEERP C=CCCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400345202 375504854 /nfs/dbraw/zinc/50/48/54/375504854.db2.gz IGPCPYYCGQWMQW-NWDGAFQWSA-N 2 0 196.338 1.930 10 30 ADEERP C=C(CC)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400372669 375504889 /nfs/dbraw/zinc/50/48/89/375504889.db2.gz UOOPWVKALVUHNY-GHMZBOCLSA-N 2 0 182.311 1.540 10 30 ADEERP C=C(CC)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400372672 375504939 /nfs/dbraw/zinc/50/49/39/375504939.db2.gz UOOPWVKALVUHNY-WDEREUQCSA-N 2 0 182.311 1.540 10 30 ADEERP C=C(CC)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400372671 375505200 /nfs/dbraw/zinc/50/52/00/375505200.db2.gz UOOPWVKALVUHNY-QWRGUYRKSA-N 2 0 182.311 1.540 10 30 ADEERP C=C(CC)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400372670 375505366 /nfs/dbraw/zinc/50/53/66/375505366.db2.gz UOOPWVKALVUHNY-MNOVXSKESA-N 2 0 182.311 1.540 10 30 ADEERP C=CCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400464787 375506209 /nfs/dbraw/zinc/50/62/09/375506209.db2.gz SOSJVBADYGMFKD-MNOVXSKESA-N 2 0 182.311 1.540 10 30 ADEERP C=CCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400464788 375506222 /nfs/dbraw/zinc/50/62/22/375506222.db2.gz SOSJVBADYGMFKD-QWRGUYRKSA-N 2 0 182.311 1.540 10 30 ADEERP C=CCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400464786 375506498 /nfs/dbraw/zinc/50/64/98/375506498.db2.gz SOSJVBADYGMFKD-GHMZBOCLSA-N 2 0 182.311 1.540 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400486145 375507450 /nfs/dbraw/zinc/50/74/50/375507450.db2.gz XOBBRIPLXLJGRC-GARJFASQSA-N 2 0 182.311 1.539 10 30 ADEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400480974 375507540 /nfs/dbraw/zinc/50/75/40/375507540.db2.gz WEWOLESXUVGKTN-QWRGUYRKSA-N 2 0 182.311 1.540 10 30 ADEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400464789 375507621 /nfs/dbraw/zinc/50/76/21/375507621.db2.gz SOSJVBADYGMFKD-WDEREUQCSA-N 2 0 182.311 1.540 10 30 ADEERP C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400486144 375507637 /nfs/dbraw/zinc/50/76/37/375507637.db2.gz XOBBRIPLXLJGRC-DCAQKATOSA-N 2 0 182.311 1.539 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400486143 375507733 /nfs/dbraw/zinc/50/77/33/375507733.db2.gz XOBBRIPLXLJGRC-AXFHLTTASA-N 2 0 182.311 1.539 10 30 ADEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400480972 375507756 /nfs/dbraw/zinc/50/77/56/375507756.db2.gz WEWOLESXUVGKTN-GHMZBOCLSA-N 2 0 182.311 1.540 10 30 ADEERP C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400486146 375507770 /nfs/dbraw/zinc/50/77/70/375507770.db2.gz XOBBRIPLXLJGRC-HBNTYKKESA-N 2 0 182.311 1.539 10 30 ADEERP C=C(C)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400480973 375507882 /nfs/dbraw/zinc/50/78/82/375507882.db2.gz WEWOLESXUVGKTN-MNOVXSKESA-N 2 0 182.311 1.540 10 30 ADEERP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400480975 375507941 /nfs/dbraw/zinc/50/79/41/375507941.db2.gz WEWOLESXUVGKTN-WDEREUQCSA-N 2 0 182.311 1.540 10 30 ADEERP C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400715979 375508889 /nfs/dbraw/zinc/50/88/89/375508889.db2.gz NHCJKMNORIEGDT-QWRGUYRKSA-N 2 0 196.338 1.786 10 30 ADEERP C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400706430 375508906 /nfs/dbraw/zinc/50/89/06/375508906.db2.gz LEBIBJPMKCMUTL-TUAOUCFPSA-N 2 0 196.338 1.929 10 30 ADEERP C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400706431 375508961 /nfs/dbraw/zinc/50/89/61/375508961.db2.gz LEBIBJPMKCMUTL-UTUOFQBUSA-N 2 0 196.338 1.929 10 30 ADEERP C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 400706421 375509063 /nfs/dbraw/zinc/50/90/63/375509063.db2.gz LEBIBJPMKCMUTL-SRVKXCTJSA-N 2 0 196.338 1.929 10 30 ADEERP C=CC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 400715959 375509097 /nfs/dbraw/zinc/50/90/97/375509097.db2.gz NHCJKMNORIEGDT-GHMZBOCLSA-N 2 0 196.338 1.786 10 30 ADEERP C=CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 400715982 375509295 /nfs/dbraw/zinc/50/92/95/375509295.db2.gz NHCJKMNORIEGDT-WDEREUQCSA-N 2 0 196.338 1.786 10 30 ADEERP C=CC(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400715976 375509357 /nfs/dbraw/zinc/50/93/57/375509357.db2.gz NHCJKMNORIEGDT-MNOVXSKESA-N 2 0 196.338 1.786 10 30 ADEERP C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 400706434 375509710 /nfs/dbraw/zinc/50/97/10/375509710.db2.gz LEBIBJPMKCMUTL-WOPDTQHZSA-N 2 0 196.338 1.929 10 30 ADEERP C=CCCCCC[NH2+][C@@H](C)C1C[NH2+]C1 656200521 409424108 /nfs/dbraw/zinc/42/41/08/409424108.db2.gz OHCDNVNJKCANEW-NSHDSACASA-N 2 0 196.338 1.930 10 30 ADEERP C=CCCCCC[NH2+][C@H](C)C1C[NH2+]C1 656200520 409424707 /nfs/dbraw/zinc/42/47/07/409424707.db2.gz OHCDNVNJKCANEW-LLVKDONJSA-N 2 0 196.338 1.930 10 30 ADEERP C=CC[N@H+]1CCCC[C@H]1CC[NH3+] 70534369 409427835 /nfs/dbraw/zinc/42/78/35/409427835.db2.gz IBWDZOUTXXSJNO-JTQLQIEISA-N 2 0 168.284 1.376 10 30 ADEERP C=CC[N@H+]1CCCC[C@@H]1CC[NH3+] 70534368 409428257 /nfs/dbraw/zinc/42/82/57/409428257.db2.gz IBWDZOUTXXSJNO-SNVBAGLBSA-N 2 0 168.284 1.376 10 30 ADEERP C=CCCC[N@H+]1CCC[C@H]([NH3+])C1 70593235 409429848 /nfs/dbraw/zinc/42/98/48/409429848.db2.gz CMOOYVVPPLJQSZ-JTQLQIEISA-N 2 0 168.284 1.376 10 30 ADEERP C=CCC[N@@H+](C)C1CC[NH2+]CC1 70593207 409430016 /nfs/dbraw/zinc/43/00/16/409430016.db2.gz GXQGJBUSJXOZOV-UHFFFAOYSA-N 2 0 168.284 1.246 10 30 ADEERP C=CCCC[N@H+]1CCC[C@@H]([NH3+])C1 70593236 409430981 /nfs/dbraw/zinc/43/09/81/409430981.db2.gz CMOOYVVPPLJQSZ-SNVBAGLBSA-N 2 0 168.284 1.376 10 30 ADEERP C=CCC[N@H+]1CC[C@@H](C[NH2+]C)C1 70593305 409431318 /nfs/dbraw/zinc/43/13/18/409431318.db2.gz HFMLPBYNKIJATC-JTQLQIEISA-N 2 0 168.284 1.104 10 30 ADEERP C=CCC[N@H+]1CC[C@H](C[NH2+]C)C1 70593306 409431609 /nfs/dbraw/zinc/43/16/09/409431609.db2.gz HFMLPBYNKIJATC-SNVBAGLBSA-N 2 0 168.284 1.104 10 30 ADEERP C=CCC[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 70593229 409431812 /nfs/dbraw/zinc/43/18/12/409431812.db2.gz JXEWIHKBHSQDSS-FOSCPWQOSA-N 2 0 194.322 1.777 10 30 ADEERP C=CCC[N@@H+](C)CCc1cncn1C 656501718 409438292 /nfs/dbraw/zinc/43/82/92/409438292.db2.gz OBMUPHASOPRBGC-UHFFFAOYSA-N 2 0 193.294 1.471 10 30 ADEERP C=CC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 121964912 409465984 /nfs/dbraw/zinc/46/59/84/409465984.db2.gz GEFCUZPJGCWEJM-KPPDAEKUSA-N 2 0 182.311 1.811 10 30 ADEERP C=CC[C@@H](C)[NH2+]C1CC[NH2+]CC1 121958139 409466009 /nfs/dbraw/zinc/46/60/09/409466009.db2.gz WEKDFPMQEAWIPJ-SECBINFHSA-N 2 0 168.284 1.293 10 30 ADEERP C=CC[C@H](C)[NH2+]C1CC[NH2+]CC1 121957954 409466099 /nfs/dbraw/zinc/46/60/99/409466099.db2.gz WEKDFPMQEAWIPJ-VIFPVBQESA-N 2 0 168.284 1.293 10 30 ADEERP C=CC[C@H](C)[NH2+]C1CCC([NH3+])CC1 121964729 409466261 /nfs/dbraw/zinc/46/62/61/409466261.db2.gz GEFCUZPJGCWEJM-WHXUTIOJSA-N 2 0 182.311 1.811 10 30 ADEERP C=CCC[C@H](C)[NH2+]CCC[NH3+] 131969583 409485315 /nfs/dbraw/zinc/48/53/15/409485315.db2.gz KGPKXYYVLQMACW-VIFPVBQESA-N 2 0 156.273 1.280 10 30 ADEERP C=CCC[C@@H](C)[NH2+]CCC[NH3+] 131969784 409489167 /nfs/dbraw/zinc/48/91/67/409489167.db2.gz KGPKXYYVLQMACW-SECBINFHSA-N 2 0 156.273 1.280 10 30 ADEERP C=CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 133617017 409496713 /nfs/dbraw/zinc/49/67/13/409496713.db2.gz DCJWNQWSMUQGGQ-VHSXEESVSA-N 2 0 168.284 1.374 10 30 ADEERP C=CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 133617456 409496771 /nfs/dbraw/zinc/49/67/71/409496771.db2.gz DCJWNQWSMUQGGQ-UWVGGRQHSA-N 2 0 168.284 1.374 10 30 ADEERP C=CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 133616846 409497696 /nfs/dbraw/zinc/49/76/96/409497696.db2.gz DCJWNQWSMUQGGQ-NXEZZACHSA-N 2 0 168.284 1.374 10 30 ADEERP C=CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 133617234 409497980 /nfs/dbraw/zinc/49/79/80/409497980.db2.gz DCJWNQWSMUQGGQ-ZJUUUORDSA-N 2 0 168.284 1.374 10 30 ADEERP C=CCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 307135806 409620578 /nfs/dbraw/zinc/62/05/78/409620578.db2.gz RURMDLWQCKBSRJ-AXFHLTTASA-N 2 0 180.295 1.232 10 30 ADEERP C=CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307135808 409621025 /nfs/dbraw/zinc/62/10/25/409621025.db2.gz RURMDLWQCKBSRJ-GARJFASQSA-N 2 0 180.295 1.232 10 30 ADEERP C=CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307135807 409621835 /nfs/dbraw/zinc/62/18/35/409621835.db2.gz RURMDLWQCKBSRJ-DCAQKATOSA-N 2 0 180.295 1.232 10 30 ADEERP C=CCC[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 307135809 409622367 /nfs/dbraw/zinc/62/23/67/409622367.db2.gz RURMDLWQCKBSRJ-HBNTYKKESA-N 2 0 180.295 1.232 10 30 ADEERP C=CCCCC[NH2+]C1CC[NH2+]CC1 308139336 409686397 /nfs/dbraw/zinc/68/63/97/409686397.db2.gz KDQQDKVAOQCPGY-UHFFFAOYSA-N 2 0 182.311 1.684 10 30 ADEERP C=CCCC[NH2+][C@H]1CCC[NH2+]CC1 308151683 409687956 /nfs/dbraw/zinc/68/79/56/409687956.db2.gz RDKOKOYEVADURE-NSHDSACASA-N 2 0 182.311 1.684 10 30 ADEERP C=CCCC[NH2+][C@@H]1CCC[NH2+]CC1 308151682 409689890 /nfs/dbraw/zinc/68/98/90/409689890.db2.gz RDKOKOYEVADURE-LLVKDONJSA-N 2 0 182.311 1.684 10 30 ADEERP C=CCCC[NH2+]C1CCC([NH3+])CC1 308193448 409696429 /nfs/dbraw/zinc/69/64/29/409696429.db2.gz PEDNTCXYBCMUJL-UHFFFAOYSA-N 2 0 182.311 1.812 10 30 ADEERP C=CCCC[N@H+]1CC2CC1(C[NH3+])C2 662307703 409716300 /nfs/dbraw/zinc/71/63/00/409716300.db2.gz POSCMPXUYRIINC-UHFFFAOYSA-N 2 0 180.295 1.376 10 30 ADEERP C=CCCC[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 308594611 409740539 /nfs/dbraw/zinc/74/05/39/409740539.db2.gz XUHJUGRYDRISMJ-QJPTWQEYSA-N 2 0 194.322 1.622 10 30 ADEERP C=CCCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 308594614 409740582 /nfs/dbraw/zinc/74/05/82/409740582.db2.gz XUHJUGRYDRISMJ-TUAOUCFPSA-N 2 0 194.322 1.622 10 30 ADEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 308594612 409740605 /nfs/dbraw/zinc/74/06/05/409740605.db2.gz XUHJUGRYDRISMJ-SDDRHHMPSA-N 2 0 194.322 1.622 10 30 ADEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 308594613 409740934 /nfs/dbraw/zinc/74/09/34/409740934.db2.gz XUHJUGRYDRISMJ-SRVKXCTJSA-N 2 0 194.322 1.622 10 30 ADEERP C=CC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 308736328 409754747 /nfs/dbraw/zinc/75/47/47/409754747.db2.gz LNAMUGLCECUCTC-NSHDSACASA-N 2 0 182.311 1.636 10 30 ADEERP C=CC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 308736327 409754889 /nfs/dbraw/zinc/75/48/89/409754889.db2.gz LNAMUGLCECUCTC-LLVKDONJSA-N 2 0 182.311 1.636 10 30 ADEERP C=C(CC)C[NH2+]C1CCC([NH3+])CC1 313505697 409781727 /nfs/dbraw/zinc/78/17/27/409781727.db2.gz ZDERZADRDCWZBP-UHFFFAOYSA-N 2 0 182.311 1.812 10 30 ADEERP C=C(CC)C[NH2+][C@H]1CCC[NH2+]CC1 313505558 409782147 /nfs/dbraw/zinc/78/21/47/409782147.db2.gz YBWSMCMFPMXLJP-NSHDSACASA-N 2 0 182.311 1.684 10 30 ADEERP C=C(CC)C[NH2+]C1CC[NH2+]CC1 313501852 409782707 /nfs/dbraw/zinc/78/27/07/409782707.db2.gz KJHWVHSRZYUPNQ-UHFFFAOYSA-N 2 0 168.284 1.294 10 30 ADEERP C=C(CC)C[NH2+][C@@H]1CCC[NH2+]CC1 313505556 409783129 /nfs/dbraw/zinc/78/31/29/409783129.db2.gz YBWSMCMFPMXLJP-LLVKDONJSA-N 2 0 182.311 1.684 10 30 ADEERP C=CCC[C@H](C)[NH2+]CC12CC(C[NH2+]1)C2 663497314 409785085 /nfs/dbraw/zinc/78/50/85/409785085.db2.gz DNVWWVCUSXFKJR-UNXYVOJBSA-N 2 0 194.322 1.683 10 30 ADEERP C=CCC[C@@H](C)[NH2+]CC12CC(C[NH2+]1)C2 663497315 409785501 /nfs/dbraw/zinc/78/55/01/409785501.db2.gz DNVWWVCUSXFKJR-VOMCLLRMSA-N 2 0 194.322 1.683 10 30 ADEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 665238254 409855792 /nfs/dbraw/zinc/85/57/92/409855792.db2.gz UWNWSDWMHNVXGO-WDEREUQCSA-N 2 0 182.311 1.540 10 30 ADEERP C=CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 665238253 409855986 /nfs/dbraw/zinc/85/59/86/409855986.db2.gz UWNWSDWMHNVXGO-QWRGUYRKSA-N 2 0 182.311 1.540 10 30 ADEERP C=CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 665238252 409856122 /nfs/dbraw/zinc/85/61/22/409856122.db2.gz UWNWSDWMHNVXGO-MNOVXSKESA-N 2 0 182.311 1.540 10 30 ADEERP C=CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 665238251 409857671 /nfs/dbraw/zinc/85/76/71/409857671.db2.gz UWNWSDWMHNVXGO-GHMZBOCLSA-N 2 0 182.311 1.540 10 30 ADEERP C=CCOCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] 665263187 409860965 /nfs/dbraw/zinc/86/09/65/409860965.db2.gz HXDUSMCOUWYWTD-QWRGUYRKSA-N 2 0 198.310 1.049 10 30 ADEERP C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] 665263188 409862135 /nfs/dbraw/zinc/86/21/35/409862135.db2.gz HXDUSMCOUWYWTD-WDEREUQCSA-N 2 0 198.310 1.049 10 30 ADEERP C=CCOCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] 665263185 409862574 /nfs/dbraw/zinc/86/25/74/409862574.db2.gz HXDUSMCOUWYWTD-GHMZBOCLSA-N 2 0 198.310 1.049 10 30 ADEERP C=CCOCCC[NH2+][C@H]1CCC[C@H]1[NH3+] 665263186 409862855 /nfs/dbraw/zinc/86/28/55/409862855.db2.gz HXDUSMCOUWYWTD-MNOVXSKESA-N 2 0 198.310 1.049 10 30 ADEERP C=CCC(C)(C)C[NH2+]C1CC[NH2+]CC1 379956106 409871075 /nfs/dbraw/zinc/87/10/75/409871075.db2.gz CWYPAQDOCFAGLI-UHFFFAOYSA-N 2 0 196.338 1.930 10 30 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/nfs/dbraw/zinc/96/32/79/409963279.db2.gz CLFPWPJGOUNIKF-UHFFFAOYSA-N 2 0 182.311 1.636 10 30 ADEERP C=CC[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C1 393773126 409992206 /nfs/dbraw/zinc/99/22/06/409992206.db2.gz KQFPSSHMLHKBHR-NXEZZACHSA-N 2 0 168.284 1.293 10 30 ADEERP C=CC[C@H](CC)[NH2+][C@H]1CC[NH2+]C1 393773131 409992319 /nfs/dbraw/zinc/99/23/19/409992319.db2.gz KQFPSSHMLHKBHR-UWVGGRQHSA-N 2 0 168.284 1.293 10 30 ADEERP C=CC[C@@H](CC)[NH2+]C1CC[NH2+]CC1 393811932 409992661 /nfs/dbraw/zinc/99/26/61/409992661.db2.gz XHUDWEDWZGQLRR-SNVBAGLBSA-N 2 0 182.311 1.683 10 30 ADEERP C=CC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C1 393773133 409992925 /nfs/dbraw/zinc/99/29/25/409992925.db2.gz KQFPSSHMLHKBHR-VHSXEESVSA-N 2 0 168.284 1.293 10 30 ADEERP C=CC[C@H](CC)[NH2+]C1CC[NH2+]CC1 393811930 409993320 /nfs/dbraw/zinc/99/33/20/409993320.db2.gz XHUDWEDWZGQLRR-JTQLQIEISA-N 2 0 182.311 1.683 10 30 ADEERP C=CC[C@@H](CC)[NH2+][C@H]1CC[NH2+]C1 393773138 409994542 /nfs/dbraw/zinc/99/45/42/409994542.db2.gz 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ADEERP C=CCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 398054447 410022122 /nfs/dbraw/zinc/02/21/22/410022122.db2.gz CXQJSWRICRUROJ-QWRGUYRKSA-N 2 0 182.311 1.683 10 30 ADEERP C[C@@H](C[C@H]1CCCC[NH2+]1)NCCC#N 86498795 572946334 /nfs/dbraw/zinc/94/63/34/572946334.db2.gz FHDWNDKPELJWHU-WDEREUQCSA-N 2 0 195.310 1.410 10 30 ADEERP C=CCN(CC=C)CC1([NH3+])CCC1 88051614 572946466 /nfs/dbraw/zinc/94/64/66/572946466.db2.gz KORGFTQOMJANOP-UHFFFAOYSA-N 2 0 180.295 1.542 10 30 ADEERP C=CC[N@@H+](CC)[C@H](C)CC[NH2+]C 132024930 573184268 /nfs/dbraw/zinc/18/42/68/573184268.db2.gz VSOMZRKXCKOZJB-SNVBAGLBSA-N 2 0 170.300 1.492 10 30 ADEERP C=CC[N@@H+](CCC)[C@@H]1CC[C@@H]1C[NH2+]C 132073092 573200722 /nfs/dbraw/zinc/20/07/22/573200722.db2.gz QRTHKAUWMSBFOR-VXGBXAGGSA-N 2 0 196.338 1.882 10 30 ADEERP C=CC[N@H+](C(C)C)[C@H](C)CC[NH2+]C 132095555 573205552 /nfs/dbraw/zinc/20/55/52/573205552.db2.gz DVFXWHJBICVDBG-LLVKDONJSA-N 2 0 184.327 1.881 10 30 ADEERP C#CC[C@H](CC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 252913617 573205603 /nfs/dbraw/zinc/20/56/03/573205603.db2.gz OKLZHSKQJKPJJE-SRVKXCTJSA-N 2 0 194.322 1.648 10 30 ADEERP C=CCN(C(C)C)[C@@H](C)C[NH2+]C 132085682 573205960 /nfs/dbraw/zinc/20/59/60/573205960.db2.gz WLXBISABHUGIFT-JTQLQIEISA-N 2 0 170.300 1.491 10 30 ADEERP C=CC[N@@H+](CCC)[C@H]1CC[C@@H]1C[NH3+] 132084949 573205991 /nfs/dbraw/zinc/20/59/91/573205991.db2.gz YWFUGBODCDKSLE-MNOVXSKESA-N 2 0 182.311 1.622 10 30 ADEERP C=CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)C[NH3+] 132115759 573213200 /nfs/dbraw/zinc/21/32/00/573213200.db2.gz DOYHNVFROABRCF-QWRGUYRKSA-N 2 0 184.327 1.866 10 30 ADEERP C=CC[N@H+](C1CC1)[C@H](C)[C@@H](C)C[NH2+]C 132138323 573225581 /nfs/dbraw/zinc/22/55/81/573225581.db2.gz NOYWUDVIUUMHCG-WDEREUQCSA-N 2 0 196.338 1.881 10 30 ADEERP C=CC[N@H+](C1CC1)[C@@H]1CC[C@H]1C[NH2+]C 132140296 573225785 /nfs/dbraw/zinc/22/57/85/573225785.db2.gz NEBAVQZXFNYDFP-CMPLNLGQSA-N 2 0 194.322 1.635 10 30 ADEERP C=CC[N@H+](C1CC1)[C@H]1CC[C@H]1C[NH2+]C 132139880 573225814 /nfs/dbraw/zinc/22/58/14/573225814.db2.gz NEBAVQZXFNYDFP-JQWIXIFHSA-N 2 0 194.322 1.635 10 30 ADEERP C=CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH2+]C 132138668 573225933 /nfs/dbraw/zinc/22/59/33/573225933.db2.gz NOYWUDVIUUMHCG-QWRGUYRKSA-N 2 0 196.338 1.881 10 30 ADEERP C=CC[N@@H+](CC(C)(C)C[NH2+]C)C1CC1 132137244 573229880 /nfs/dbraw/zinc/22/98/80/573229880.db2.gz ZUGAQVMHQNEHDA-UHFFFAOYSA-N 2 0 196.338 1.882 10 30 ADEERP C[NH2+]CC#CCC[NH+]1CCCCC1 258241985 573237451 /nfs/dbraw/zinc/23/74/51/573237451.db2.gz QDEMHAWWCUKJMW-UHFFFAOYSA-N 2 0 180.295 1.085 10 30 ADEERP C=CC[N@H+]1CCC[NH2+]CC[C@@H]1C 259386819 573239393 /nfs/dbraw/zinc/23/93/93/573239393.db2.gz LNGHNNMPVUUWTP-JTQLQIEISA-N 2 0 168.284 1.246 10 30 ADEERP C=CC[N@@H+](CC)C[C@H]1CC[NH2+]C[C@H]1C 308522598 573247210 /nfs/dbraw/zinc/24/72/10/573247210.db2.gz IINATPWBXPRCCT-VXGBXAGGSA-N 2 0 196.338 1.740 10 30 ADEERP C=CC[N@@H+](CC)C[C@@H]1CC[NH2+]C[C@H]1C 308522593 573247275 /nfs/dbraw/zinc/24/72/75/573247275.db2.gz IINATPWBXPRCCT-NEPJUHHUSA-N 2 0 196.338 1.740 10 30 ADEERP CC(C)[N@@H+]1CCCC[C@@H]1CC#CC[NH3+] 258269126 573271836 /nfs/dbraw/zinc/27/18/36/573271836.db2.gz RSYXVRYCQUGLEA-LBPRGKRZSA-N 2 0 194.322 1.602 10 30 ADEERP C=C(C[NH3+])C[C@H]1CCC[N@H+]1C(C)C 258271302 573272233 /nfs/dbraw/zinc/27/22/33/573272233.db2.gz RWANFVVTUUJFEV-LLVKDONJSA-N 2 0 182.311 1.764 10 30 ADEERP CC(C)[N@@H+]1CCCC[C@H]1CC#CC[NH3+] 258269123 573273875 /nfs/dbraw/zinc/27/38/75/573273875.db2.gz RSYXVRYCQUGLEA-GFCCVEGCSA-N 2 0 194.322 1.602 10 30 ADEERP C=C(CC[NH3+])C[C@H]1CCC[NH2+]C1 258275983 573274836 /nfs/dbraw/zinc/27/48/36/573274836.db2.gz SFLSBXJQFXSVAX-SNVBAGLBSA-N 2 0 168.284 1.281 10 30 ADEERP C=CC[C@H](C)[C@@H]([NH3+])C(C)(C)[NH+](C)C 715758572 573294904 /nfs/dbraw/zinc/29/49/04/573294904.db2.gz RULAPZLHYXAVCD-VHSXEESVSA-N 2 0 184.327 1.866 10 30 ADEERP C=C(CC[NH3+])C[C@H]1CCCC[N@H+]1C 257996792 573294936 /nfs/dbraw/zinc/29/49/36/573294936.db2.gz ABIVHULAPPTGQL-LLVKDONJSA-N 2 0 182.311 1.766 10 30 ADEERP C=CC[C@@H](C)[C@H]([NH3+])C(C)(C)[NH+](C)C 715758576 573295939 /nfs/dbraw/zinc/29/59/39/573295939.db2.gz RULAPZLHYXAVCD-ZJUUUORDSA-N 2 0 184.327 1.866 10 30 ADEERP C=C(C[NH2+]C)C[C@H]1CC[N@H+](C)C1 258284011 573298430 /nfs/dbraw/zinc/29/84/30/573298430.db2.gz STUCFTONSCLLFU-SNVBAGLBSA-N 2 0 168.284 1.104 10 30 ADEERP C=C(CC[NH3+])CC1CC[NH+](C)CC1 257998762 573299013 /nfs/dbraw/zinc/29/90/13/573299013.db2.gz AGHIJCJCBPXCDP-UHFFFAOYSA-N 2 0 182.311 1.623 10 30 ADEERP C=CC[N@H+]1CC[C@@H](C[NH2+]C)C(C)(C)C1 259407445 573299075 /nfs/dbraw/zinc/29/90/75/573299075.db2.gz YHQQXEPNRAUYPK-NSHDSACASA-N 2 0 196.338 1.740 10 30 ADEERP C=C(CC[NH3+])C[C@H]1CCC[N@@H+](C)C1 258286112 573302798 /nfs/dbraw/zinc/30/27/98/573302798.db2.gz SWLNTADYYCHIIN-LLVKDONJSA-N 2 0 182.311 1.623 10 30 ADEERP C=C(CC[NH3+])C[C@@H]1CCC[N@@H+](C)C1 258286113 573302980 /nfs/dbraw/zinc/30/29/80/573302980.db2.gz SWLNTADYYCHIIN-NSHDSACASA-N 2 0 182.311 1.623 10 30 ADEERP C=C(C[NH3+])[C@H]1CCC[N@H+]1C(C)C 258001004 573313478 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182.311 1.494 10 30 ADEERP CCN(CCC(C)(C)[NH3+])C[C@H](C)C#N 308563783 573366066 /nfs/dbraw/zinc/36/60/66/573366066.db2.gz YVSSYAXUZBBDRR-SNVBAGLBSA-N 2 0 197.326 1.595 10 30 ADEERP C=C(C[NH3+])[C@H]1CCCC[N@H+]1C(C)C 258323794 573370490 /nfs/dbraw/zinc/37/04/90/573370490.db2.gz WIPQHQJPLZOQHJ-LLVKDONJSA-N 2 0 182.311 1.764 10 30 ADEERP C=C(CC)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 313504653 573370767 /nfs/dbraw/zinc/37/07/67/573370767.db2.gz WOGMNXJGBJYNQW-WDEREUQCSA-N 2 0 182.311 1.540 10 30 ADEERP C=C(CC[NH2+]C)C[C@@H]1CCC[N@@H+]1C 258013650 573388863 /nfs/dbraw/zinc/38/88/63/573388863.db2.gz BFYVIKVOLFCCDG-NSHDSACASA-N 2 0 182.311 1.636 10 30 ADEERP C=CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1CCC 308573449 573399131 /nfs/dbraw/zinc/39/91/31/573399131.db2.gz CSIJSPHAQYIEKL-VXGBXAGGSA-N 2 0 196.338 1.882 10 30 ADEERP C=CCC[N@@H+](C)C[C@@H]1CC[NH2+]C[C@H]1C 393664455 573399720 /nfs/dbraw/zinc/39/97/20/573399720.db2.gz FEZLPNGCDJCWPF-NEPJUHHUSA-N 2 0 196.338 1.740 10 30 ADEERP 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