smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301377 384454350 /nfs/dbraw/zinc/45/43/50/384454350.db2.gz XKXAPTVNSOUUQA-UHFFFAOYSA-N 2 2 211.309 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301377 384454345 /nfs/dbraw/zinc/45/43/45/384454345.db2.gz XKXAPTVNSOUUQA-UHFFFAOYSA-N 2 2 211.309 -0.028 20 30 BBEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754621 166376605 /nfs/dbraw/zinc/37/66/05/166376605.db2.gz ZMZCIVOFSQIWOC-UHFFFAOYSA-N 2 2 240.307 -0.579 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531207 135226252 /nfs/dbraw/zinc/22/62/52/135226252.db2.gz UIFYYNOHWBZTTQ-SNVBAGLBSA-N 2 2 211.309 -0.041 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531207 135226251 /nfs/dbraw/zinc/22/62/51/135226251.db2.gz UIFYYNOHWBZTTQ-SNVBAGLBSA-N 2 2 211.309 -0.041 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531209 135226152 /nfs/dbraw/zinc/22/61/52/135226152.db2.gz UIFYYNOHWBZTTQ-JTQLQIEISA-N 2 2 211.309 -0.041 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531209 135226150 /nfs/dbraw/zinc/22/61/50/135226150.db2.gz UIFYYNOHWBZTTQ-JTQLQIEISA-N 2 2 211.309 -0.041 20 30 BBEDLP C[NH+](C)CC(=O)N1CC[NH+](CCCC#N)CC1 ZINC000045944532 386508429 /nfs/dbraw/zinc/50/84/29/386508429.db2.gz FRJMBCLHHZQCHO-UHFFFAOYSA-N 2 2 238.335 -0.004 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000045944565 386509508 /nfs/dbraw/zinc/50/95/08/386509508.db2.gz YMJNBQVLLPCWRH-UHFFFAOYSA-N 2 2 209.293 -0.675 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050248077 166376843 /nfs/dbraw/zinc/37/68/43/166376843.db2.gz AKXLVKMQXSQRJJ-SECBINFHSA-N 2 2 240.307 -0.721 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050248077 166376838 /nfs/dbraw/zinc/37/68/38/166376838.db2.gz AKXLVKMQXSQRJJ-SECBINFHSA-N 2 2 240.307 -0.721 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248080 166377004 /nfs/dbraw/zinc/37/70/04/166377004.db2.gz AKXLVKMQXSQRJJ-VIFPVBQESA-N 2 2 240.307 -0.721 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248080 166377001 /nfs/dbraw/zinc/37/70/01/166377001.db2.gz AKXLVKMQXSQRJJ-VIFPVBQESA-N 2 2 240.307 -0.721 20 30 BBEDLP C=CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762263 358761434 /nfs/dbraw/zinc/76/14/34/358761434.db2.gz GYSCXJICWVFKOA-UHFFFAOYSA-N 2 2 211.309 -0.122 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070799805 343340871 /nfs/dbraw/zinc/34/08/71/343340871.db2.gz SZOIVQGMFLXOFK-JTQLQIEISA-N 2 2 211.309 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000070799805 343340870 /nfs/dbraw/zinc/34/08/70/343340870.db2.gz SZOIVQGMFLXOFK-JTQLQIEISA-N 2 2 211.309 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799810 343340941 /nfs/dbraw/zinc/34/09/41/343340941.db2.gz SZOIVQGMFLXOFK-SNVBAGLBSA-N 2 2 211.309 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000070799810 343340940 /nfs/dbraw/zinc/34/09/40/343340940.db2.gz SZOIVQGMFLXOFK-SNVBAGLBSA-N 2 2 211.309 -0.170 20 30 BBEDLP CC(C)(CNC(N)=[NH2+])[NH+]1CCOCC1 ZINC000073757070 353296428 /nfs/dbraw/zinc/29/64/28/353296428.db2.gz SWIFOJJTGBZXKT-UHFFFAOYSA-N 2 2 200.286 -0.629 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000081396380 345472583 /nfs/dbraw/zinc/47/25/83/345472583.db2.gz XBIPPPJYLWBOFD-UHFFFAOYSA-N 2 2 232.287 -0.340 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886350 135100480 /nfs/dbraw/zinc/10/04/80/135100480.db2.gz FBUVCPLEWFUIKK-ZJUUUORDSA-N 2 2 211.309 -0.042 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886350 135100478 /nfs/dbraw/zinc/10/04/78/135100478.db2.gz FBUVCPLEWFUIKK-ZJUUUORDSA-N 2 2 211.309 -0.042 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886353 135100929 /nfs/dbraw/zinc/10/09/29/135100929.db2.gz FBUVCPLEWFUIKK-UWVGGRQHSA-N 2 2 211.309 -0.042 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886353 135100926 /nfs/dbraw/zinc/10/09/26/135100926.db2.gz FBUVCPLEWFUIKK-UWVGGRQHSA-N 2 2 211.309 -0.042 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287642 343718851 /nfs/dbraw/zinc/71/88/51/343718851.db2.gz JZKNBEGDZYZNER-AOOOYVTPSA-N 2 2 209.293 -0.560 20 30 BBEDLP C=CCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287642 343718850 /nfs/dbraw/zinc/71/88/50/343718850.db2.gz JZKNBEGDZYZNER-AOOOYVTPSA-N 2 2 209.293 -0.560 20 30 BBEDLP C=CCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287646 356657149 /nfs/dbraw/zinc/65/71/49/356657149.db2.gz JZKNBEGDZYZNER-NXEZZACHSA-N 2 2 209.293 -0.560 20 30 BBEDLP C=CCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287652 411263214 /nfs/dbraw/zinc/26/32/14/411263214.db2.gz JZKNBEGDZYZNER-UWVGGRQHSA-N 2 2 209.293 -0.560 20 30 BBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287923 387138379 /nfs/dbraw/zinc/13/83/79/387138379.db2.gz YRLZQYJCHRIANV-GARJFASQSA-N 2 2 223.320 -0.172 20 30 BBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287923 387138376 /nfs/dbraw/zinc/13/83/76/387138376.db2.gz YRLZQYJCHRIANV-GARJFASQSA-N 2 2 223.320 -0.172 20 30 BBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287924 387138082 /nfs/dbraw/zinc/13/80/82/387138082.db2.gz YRLZQYJCHRIANV-MXWKQRLJSA-N 2 2 223.320 -0.172 20 30 BBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287924 387138076 /nfs/dbraw/zinc/13/80/76/387138076.db2.gz YRLZQYJCHRIANV-MXWKQRLJSA-N 2 2 223.320 -0.172 20 30 BBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287927 356655688 /nfs/dbraw/zinc/65/56/88/356655688.db2.gz YRLZQYJCHRIANV-HBNTYKKESA-N 2 2 223.320 -0.172 20 30 BBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288034 636897389 /nfs/dbraw/zinc/89/73/89/636897389.db2.gz MKUYJLGLNMQJAG-GARJFASQSA-N 2 2 221.304 -0.725 20 30 BBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288034 636897386 /nfs/dbraw/zinc/89/73/86/636897386.db2.gz MKUYJLGLNMQJAG-GARJFASQSA-N 2 2 221.304 -0.725 20 30 BBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288036 636896980 /nfs/dbraw/zinc/89/69/80/636896980.db2.gz MKUYJLGLNMQJAG-MXWKQRLJSA-N 2 2 221.304 -0.725 20 30 BBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088288036 636896979 /nfs/dbraw/zinc/89/69/79/636896979.db2.gz MKUYJLGLNMQJAG-MXWKQRLJSA-N 2 2 221.304 -0.725 20 30 BBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088288039 636897461 /nfs/dbraw/zinc/89/74/61/636897461.db2.gz MKUYJLGLNMQJAG-HBNTYKKESA-N 2 2 221.304 -0.725 20 30 BBEDLP C=CCNC(=O)C[NH+]1CCN(CCC[NH3+])CC1 ZINC000098126610 346769902 /nfs/dbraw/zinc/76/99/02/346769902.db2.gz GRXNJGGBSPZYOG-UHFFFAOYSA-N 2 2 240.351 -0.745 20 30 BBEDLP C=CCNC(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000098126610 346769899 /nfs/dbraw/zinc/76/98/99/346769899.db2.gz GRXNJGGBSPZYOG-UHFFFAOYSA-N 2 2 240.351 -0.745 20 30 BBEDLP C[NH+]=C(NCC[N@H+](C)CCOC)NC1CC1 ZINC000103338619 582786500 /nfs/dbraw/zinc/78/65/00/582786500.db2.gz ZMPGWVDSYMPADC-UHFFFAOYSA-N 2 2 228.340 -0.108 20 30 BBEDLP C[NH+]=C(NCC[N@@H+](C)CCOC)NC1CC1 ZINC000103338619 582786496 /nfs/dbraw/zinc/78/64/96/582786496.db2.gz ZMPGWVDSYMPADC-UHFFFAOYSA-N 2 2 228.340 -0.108 20 30 BBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515444 588842798 /nfs/dbraw/zinc/84/27/98/588842798.db2.gz AQOSLZYEQFKMFS-NSHDSACASA-N 2 2 223.320 -0.381 20 30 BBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515444 588842797 /nfs/dbraw/zinc/84/27/97/588842797.db2.gz AQOSLZYEQFKMFS-NSHDSACASA-N 2 2 223.320 -0.381 20 30 BBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515445 583109028 /nfs/dbraw/zinc/10/90/28/583109028.db2.gz AQOSLZYEQFKMFS-LLVKDONJSA-N 2 2 223.320 -0.381 20 30 BBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515445 583109026 /nfs/dbraw/zinc/10/90/26/583109026.db2.gz AQOSLZYEQFKMFS-LLVKDONJSA-N 2 2 223.320 -0.381 20 30 BBEDLP C[NH+](CC(=O)NCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843115 134223457 /nfs/dbraw/zinc/22/34/57/134223457.db2.gz SOURHPSUDCPTBI-NSHDSACASA-N 2 2 238.335 -0.100 20 30 BBEDLP C[NH+](CC(=O)NCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000118843115 134223456 /nfs/dbraw/zinc/22/34/56/134223456.db2.gz SOURHPSUDCPTBI-NSHDSACASA-N 2 2 238.335 -0.100 20 30 BBEDLP C[N@H+](CC(=O)NCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000118843115 134223455 /nfs/dbraw/zinc/22/34/55/134223455.db2.gz SOURHPSUDCPTBI-NSHDSACASA-N 2 2 238.335 -0.100 20 30 BBEDLP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000118843115 134223454 /nfs/dbraw/zinc/22/34/54/134223454.db2.gz SOURHPSUDCPTBI-NSHDSACASA-N 2 2 238.335 -0.100 20 30 BBEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843117 134223419 /nfs/dbraw/zinc/22/34/19/134223419.db2.gz SOURHPSUDCPTBI-LLVKDONJSA-N 2 2 238.335 -0.100 20 30 BBEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843117 134223418 /nfs/dbraw/zinc/22/34/18/134223418.db2.gz SOURHPSUDCPTBI-LLVKDONJSA-N 2 2 238.335 -0.100 20 30 BBEDLP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118843117 134223417 /nfs/dbraw/zinc/22/34/17/134223417.db2.gz SOURHPSUDCPTBI-LLVKDONJSA-N 2 2 238.335 -0.100 20 30 BBEDLP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118843117 134223416 /nfs/dbraw/zinc/22/34/16/134223416.db2.gz SOURHPSUDCPTBI-LLVKDONJSA-N 2 2 238.335 -0.100 20 30 BBEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCC#N ZINC000124256896 358514655 /nfs/dbraw/zinc/51/46/55/358514655.db2.gz AOSFPEGUVNJQJA-UHFFFAOYSA-N 2 2 235.291 -0.155 20 30 BBEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCC#N ZINC000124256896 358514649 /nfs/dbraw/zinc/51/46/49/358514649.db2.gz AOSFPEGUVNJQJA-UHFFFAOYSA-N 2 2 235.291 -0.155 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CCC[NH2+]C ZINC000124959412 358530436 /nfs/dbraw/zinc/53/04/36/358530436.db2.gz RRWUCSCAHPFQCE-UHFFFAOYSA-N 2 2 242.323 -0.461 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000124959412 358530434 /nfs/dbraw/zinc/53/04/34/358530434.db2.gz RRWUCSCAHPFQCE-UHFFFAOYSA-N 2 2 242.323 -0.461 20 30 BBEDLP CC#CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000130229231 136213883 /nfs/dbraw/zinc/21/38/83/136213883.db2.gz YPDOBESJFIYHOP-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000133215209 372008051 /nfs/dbraw/zinc/00/80/51/372008051.db2.gz TUQCGGYZTONYTN-UHFFFAOYSA-N 2 2 228.296 -0.721 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000133215209 372008046 /nfs/dbraw/zinc/00/80/46/372008046.db2.gz TUQCGGYZTONYTN-UHFFFAOYSA-N 2 2 228.296 -0.721 20 30 BBEDLP CN(C)C(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170913281 134255414 /nfs/dbraw/zinc/25/54/14/134255414.db2.gz OGYUIKXAUCWUFO-MRVPVSSYSA-N 2 2 200.286 -0.807 20 30 BBEDLP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000170913281 134255413 /nfs/dbraw/zinc/25/54/13/134255413.db2.gz OGYUIKXAUCWUFO-MRVPVSSYSA-N 2 2 200.286 -0.807 20 30 BBEDLP CN(C)C(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000170913283 134255137 /nfs/dbraw/zinc/25/51/37/134255137.db2.gz OGYUIKXAUCWUFO-QMMMGPOBSA-N 2 2 200.286 -0.807 20 30 BBEDLP CN(C)C(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000170913283 134255136 /nfs/dbraw/zinc/25/51/36/134255136.db2.gz OGYUIKXAUCWUFO-QMMMGPOBSA-N 2 2 200.286 -0.807 20 30 BBEDLP COCC[N@@H+](C)CCNC(=[NH2+])N(C)C ZINC000170913521 633179332 /nfs/dbraw/zinc/17/93/32/633179332.db2.gz MCXCQYOXACIZIO-UHFFFAOYSA-N 2 2 202.302 -0.559 20 30 BBEDLP COCC[N@H+](C)CCNC(=[NH2+])N(C)C ZINC000170913521 633179324 /nfs/dbraw/zinc/17/93/24/633179324.db2.gz MCXCQYOXACIZIO-UHFFFAOYSA-N 2 2 202.302 -0.559 20 30 BBEDLP CC1(C)C[N@@H+](CCNC(N)=[NH2+])CCO1 ZINC000171146056 134257211 /nfs/dbraw/zinc/25/72/11/134257211.db2.gz LZQRLHWGSUOSDS-UHFFFAOYSA-N 2 2 200.286 -0.629 20 30 BBEDLP CC1(C)C[N@H+](CCNC(N)=[NH2+])CCO1 ZINC000171146056 134257210 /nfs/dbraw/zinc/25/72/10/134257210.db2.gz LZQRLHWGSUOSDS-UHFFFAOYSA-N 2 2 200.286 -0.629 20 30 BBEDLP CC1(C)COCC[N@H+]1CCNC(N)=[NH2+] ZINC000171413240 365197689 /nfs/dbraw/zinc/19/76/89/365197689.db2.gz YYUBGFFYNDSRDM-UHFFFAOYSA-N 2 2 200.286 -0.629 20 30 BBEDLP CC1(C)COCC[N@@H+]1CCNC(N)=[NH2+] ZINC000171413240 365197683 /nfs/dbraw/zinc/19/76/83/365197683.db2.gz YYUBGFFYNDSRDM-UHFFFAOYSA-N 2 2 200.286 -0.629 20 30 BBEDLP COCC[N@@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000181472919 642875460 /nfs/dbraw/zinc/87/54/60/642875460.db2.gz MGIOPIZJCWJFFC-UHFFFAOYSA-N 2 2 228.340 -0.027 20 30 BBEDLP COCC[N@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000181472919 642875454 /nfs/dbraw/zinc/87/54/54/642875454.db2.gz MGIOPIZJCWJFFC-UHFFFAOYSA-N 2 2 228.340 -0.027 20 30 BBEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182372075 347093233 /nfs/dbraw/zinc/09/32/33/347093233.db2.gz XWOUBLLEIFEOEW-UHFFFAOYSA-N 2 2 211.309 -0.122 20 30 BBEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182372075 347093231 /nfs/dbraw/zinc/09/32/31/347093231.db2.gz XWOUBLLEIFEOEW-UHFFFAOYSA-N 2 2 211.309 -0.122 20 30 BBEDLP C=CCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193612996 387858206 /nfs/dbraw/zinc/85/82/06/387858206.db2.gz XTMWQQSESXWGSS-PHIMTYICSA-N 2 2 223.320 -0.218 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193612996 387858202 /nfs/dbraw/zinc/85/82/02/387858202.db2.gz XTMWQQSESXWGSS-PHIMTYICSA-N 2 2 223.320 -0.218 20 30 BBEDLP C=CCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193612996 387858199 /nfs/dbraw/zinc/85/81/99/387858199.db2.gz XTMWQQSESXWGSS-PHIMTYICSA-N 2 2 223.320 -0.218 20 30 BBEDLP C=CCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193612996 387858196 /nfs/dbraw/zinc/85/81/96/387858196.db2.gz XTMWQQSESXWGSS-PHIMTYICSA-N 2 2 223.320 -0.218 20 30 BBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193626958 387858950 /nfs/dbraw/zinc/85/89/50/387858950.db2.gz GXJCXXNTTZZYIO-SDDRHHMPSA-N 2 2 235.331 -0.382 20 30 BBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193626958 387858948 /nfs/dbraw/zinc/85/89/48/387858948.db2.gz GXJCXXNTTZZYIO-SDDRHHMPSA-N 2 2 235.331 -0.382 20 30 BBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193626958 387858944 /nfs/dbraw/zinc/85/89/44/387858944.db2.gz GXJCXXNTTZZYIO-SDDRHHMPSA-N 2 2 235.331 -0.382 20 30 BBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193626958 387858941 /nfs/dbraw/zinc/85/89/41/387858941.db2.gz GXJCXXNTTZZYIO-SDDRHHMPSA-N 2 2 235.331 -0.382 20 30 BBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193626973 387860255 /nfs/dbraw/zinc/86/02/55/387860255.db2.gz GXJCXXNTTZZYIO-UTUOFQBUSA-N 2 2 235.331 -0.382 20 30 BBEDLP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193626973 387860251 /nfs/dbraw/zinc/86/02/51/387860251.db2.gz GXJCXXNTTZZYIO-UTUOFQBUSA-N 2 2 235.331 -0.382 20 30 BBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193626973 387860248 /nfs/dbraw/zinc/86/02/48/387860248.db2.gz GXJCXXNTTZZYIO-UTUOFQBUSA-N 2 2 235.331 -0.382 20 30 BBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193626973 387860243 /nfs/dbraw/zinc/86/02/43/387860243.db2.gz GXJCXXNTTZZYIO-UTUOFQBUSA-N 2 2 235.331 -0.382 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069201 363226996 /nfs/dbraw/zinc/22/69/96/363226996.db2.gz FBUVCPLEWFUIKK-VHSXEESVSA-N 2 2 211.309 -0.042 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069201 363226991 /nfs/dbraw/zinc/22/69/91/363226991.db2.gz FBUVCPLEWFUIKK-VHSXEESVSA-N 2 2 211.309 -0.042 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251624365 135072496 /nfs/dbraw/zinc/07/24/96/135072496.db2.gz FBUVCPLEWFUIKK-NXEZZACHSA-N 2 2 211.309 -0.042 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251624365 135072495 /nfs/dbraw/zinc/07/24/95/135072495.db2.gz FBUVCPLEWFUIKK-NXEZZACHSA-N 2 2 211.309 -0.042 20 30 BBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453516 636032771 /nfs/dbraw/zinc/03/27/71/636032771.db2.gz MKUYJLGLNMQJAG-DCAQKATOSA-N 2 2 221.304 -0.725 20 30 BBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453896 353300088 /nfs/dbraw/zinc/30/00/88/353300088.db2.gz YRLZQYJCHRIANV-DCAQKATOSA-N 2 2 223.320 -0.172 20 30 BBEDLP COCC[N@@H+](C)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261529681 536775150 /nfs/dbraw/zinc/77/51/50/536775150.db2.gz BIQGJTIMHIJAKT-SECBINFHSA-N 2 2 214.313 -0.498 20 30 BBEDLP COCC[N@H+](C)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261529681 536775147 /nfs/dbraw/zinc/77/51/47/536775147.db2.gz BIQGJTIMHIJAKT-SECBINFHSA-N 2 2 214.313 -0.498 20 30 BBEDLP COCC[N@@H+](C)CCNC1=[NH+]C[C@H](C)N1 ZINC000261529682 536775773 /nfs/dbraw/zinc/77/57/73/536775773.db2.gz BIQGJTIMHIJAKT-VIFPVBQESA-N 2 2 214.313 -0.498 20 30 BBEDLP COCC[N@H+](C)CCNC1=[NH+]C[C@H](C)N1 ZINC000261529682 536775772 /nfs/dbraw/zinc/77/57/72/536775772.db2.gz BIQGJTIMHIJAKT-VIFPVBQESA-N 2 2 214.313 -0.498 20 30 BBEDLP COCC[N@@H+](C)CCNC1=[NH+]CCN1C ZINC000261531095 536774472 /nfs/dbraw/zinc/77/44/72/536774472.db2.gz FEBLAXWWRPTRCG-UHFFFAOYSA-N 2 2 214.313 -0.544 20 30 BBEDLP COCC[N@H+](C)CCNC1=[NH+]CCN1C ZINC000261531095 536774469 /nfs/dbraw/zinc/77/44/69/536774469.db2.gz FEBLAXWWRPTRCG-UHFFFAOYSA-N 2 2 214.313 -0.544 20 30 BBEDLP C[C@@H]1C[NH+]=C(NCC[NH+]2CCSCC2)N1 ZINC000261531640 135160852 /nfs/dbraw/zinc/16/08/52/135160852.db2.gz HJGWAZROFHWPDL-SECBINFHSA-N 2 2 228.365 -0.028 20 30 BBEDLP C[C@H]1C[NH+]=C(NCC[NH+]2CCSCC2)N1 ZINC000261531641 135161167 /nfs/dbraw/zinc/16/11/67/135161167.db2.gz HJGWAZROFHWPDL-VIFPVBQESA-N 2 2 228.365 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261534848 135151270 /nfs/dbraw/zinc/15/12/70/135151270.db2.gz NFGFPGXUPMUJTL-LLVKDONJSA-N 2 2 211.309 -0.041 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261534848 135151268 /nfs/dbraw/zinc/15/12/68/135151268.db2.gz NFGFPGXUPMUJTL-LLVKDONJSA-N 2 2 211.309 -0.041 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261534849 135168110 /nfs/dbraw/zinc/16/81/10/135168110.db2.gz NFGFPGXUPMUJTL-NSHDSACASA-N 2 2 211.309 -0.041 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261534849 135168108 /nfs/dbraw/zinc/16/81/08/135168108.db2.gz NFGFPGXUPMUJTL-NSHDSACASA-N 2 2 211.309 -0.041 20 30 BBEDLP CN1CC[NH+]=C1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000261537449 135173790 /nfs/dbraw/zinc/17/37/90/135173790.db2.gz VPPCGPGPVUITDW-SECBINFHSA-N 2 2 212.297 -0.792 20 30 BBEDLP CN1CC[NH+]=C1NC[C@@H]1C[N@H+](C)CCO1 ZINC000261537449 135173789 /nfs/dbraw/zinc/17/37/89/135173789.db2.gz VPPCGPGPVUITDW-SECBINFHSA-N 2 2 212.297 -0.792 20 30 BBEDLP CN1CC[NH+]=C1NC[C@H]1C[N@@H+](C)CCO1 ZINC000261537450 135173840 /nfs/dbraw/zinc/17/38/40/135173840.db2.gz VPPCGPGPVUITDW-VIFPVBQESA-N 2 2 212.297 -0.792 20 30 BBEDLP CN1CC[NH+]=C1NC[C@H]1C[N@H+](C)CCO1 ZINC000261537450 135173838 /nfs/dbraw/zinc/17/38/38/135173838.db2.gz VPPCGPGPVUITDW-VIFPVBQESA-N 2 2 212.297 -0.792 20 30 BBEDLP CN1CC[NH+]=C1NCC[NH+]1CCSCC1 ZINC000261538714 135176313 /nfs/dbraw/zinc/17/63/13/135176313.db2.gz ZAWJHZYWZYADDZ-UHFFFAOYSA-N 2 2 228.365 -0.074 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568114 135210718 /nfs/dbraw/zinc/21/07/18/135210718.db2.gz FIOBREXECRSKDO-GHMZBOCLSA-N 2 2 223.320 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261568114 135210716 /nfs/dbraw/zinc/21/07/16/135210716.db2.gz FIOBREXECRSKDO-GHMZBOCLSA-N 2 2 223.320 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568115 135210420 /nfs/dbraw/zinc/21/04/20/135210420.db2.gz FIOBREXECRSKDO-MNOVXSKESA-N 2 2 223.320 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261568115 135210419 /nfs/dbraw/zinc/21/04/19/135210419.db2.gz FIOBREXECRSKDO-MNOVXSKESA-N 2 2 223.320 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568116 135210822 /nfs/dbraw/zinc/21/08/22/135210822.db2.gz FIOBREXECRSKDO-QWRGUYRKSA-N 2 2 223.320 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568116 135210820 /nfs/dbraw/zinc/21/08/20/135210820.db2.gz FIOBREXECRSKDO-QWRGUYRKSA-N 2 2 223.320 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568117 135210232 /nfs/dbraw/zinc/21/02/32/135210232.db2.gz FIOBREXECRSKDO-WDEREUQCSA-N 2 2 223.320 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568117 135210231 /nfs/dbraw/zinc/21/02/31/135210231.db2.gz FIOBREXECRSKDO-WDEREUQCSA-N 2 2 223.320 -0.170 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261584878 135225914 /nfs/dbraw/zinc/22/59/14/135225914.db2.gz QDHSFLWRHYKOGB-GHMZBOCLSA-N 2 2 223.320 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261584878 135225913 /nfs/dbraw/zinc/22/59/13/135225913.db2.gz QDHSFLWRHYKOGB-GHMZBOCLSA-N 2 2 223.320 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261584879 135225888 /nfs/dbraw/zinc/22/58/88/135225888.db2.gz QDHSFLWRHYKOGB-MNOVXSKESA-N 2 2 223.320 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261584879 135225887 /nfs/dbraw/zinc/22/58/87/135225887.db2.gz QDHSFLWRHYKOGB-MNOVXSKESA-N 2 2 223.320 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261584880 135226230 /nfs/dbraw/zinc/22/62/30/135226230.db2.gz QDHSFLWRHYKOGB-QWRGUYRKSA-N 2 2 223.320 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261584880 135226228 /nfs/dbraw/zinc/22/62/28/135226228.db2.gz QDHSFLWRHYKOGB-QWRGUYRKSA-N 2 2 223.320 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261584881 135226151 /nfs/dbraw/zinc/22/61/51/135226151.db2.gz QDHSFLWRHYKOGB-WDEREUQCSA-N 2 2 223.320 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261584881 135226149 /nfs/dbraw/zinc/22/61/49/135226149.db2.gz QDHSFLWRHYKOGB-WDEREUQCSA-N 2 2 223.320 -0.028 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261586539 135227655 /nfs/dbraw/zinc/22/76/55/135227655.db2.gz REMQREMBXOXQHN-GFCCVEGCSA-N 2 2 223.320 -0.026 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261586539 135227654 /nfs/dbraw/zinc/22/76/54/135227654.db2.gz REMQREMBXOXQHN-GFCCVEGCSA-N 2 2 223.320 -0.026 20 30 BBEDLP C=CCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261586541 135227893 /nfs/dbraw/zinc/22/78/93/135227893.db2.gz REMQREMBXOXQHN-LBPRGKRZSA-N 2 2 223.320 -0.026 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261586541 135227892 /nfs/dbraw/zinc/22/78/92/135227892.db2.gz REMQREMBXOXQHN-LBPRGKRZSA-N 2 2 223.320 -0.026 20 30 BBEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCC(O)CC1 ZINC000261952487 533477626 /nfs/dbraw/zinc/47/76/26/533477626.db2.gz ZDHKLQMAQVRICK-UHFFFAOYSA-N 2 2 240.351 -0.276 20 30 BBEDLP C=CCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000261996009 135114539 /nfs/dbraw/zinc/11/45/39/135114539.db2.gz SLHTXCJSLLCOLR-SECBINFHSA-N 2 2 212.297 -0.593 20 30 BBEDLP C=CCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000261996009 135114537 /nfs/dbraw/zinc/11/45/37/135114537.db2.gz SLHTXCJSLLCOLR-SECBINFHSA-N 2 2 212.297 -0.593 20 30 BBEDLP C=CCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000261996010 135114905 /nfs/dbraw/zinc/11/49/05/135114905.db2.gz SLHTXCJSLLCOLR-VIFPVBQESA-N 2 2 212.297 -0.593 20 30 BBEDLP C=CCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000261996010 135114903 /nfs/dbraw/zinc/11/49/03/135114903.db2.gz SLHTXCJSLLCOLR-VIFPVBQESA-N 2 2 212.297 -0.593 20 30 BBEDLP [NH2+]=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000262002791 135271398 /nfs/dbraw/zinc/27/13/98/135271398.db2.gz UVAQPGLEKOMJLI-JTQLQIEISA-N 2 2 237.307 -0.034 20 30 BBEDLP [NH2+]=C(NCCn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000262002794 135271623 /nfs/dbraw/zinc/27/16/23/135271623.db2.gz UVAQPGLEKOMJLI-SNVBAGLBSA-N 2 2 237.307 -0.034 20 30 BBEDLP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000262021175 135114821 /nfs/dbraw/zinc/11/48/21/135114821.db2.gz XWTKFCDAFZQPFB-JTQLQIEISA-N 2 2 226.324 -0.203 20 30 BBEDLP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000262021175 135114819 /nfs/dbraw/zinc/11/48/19/135114819.db2.gz XWTKFCDAFZQPFB-JTQLQIEISA-N 2 2 226.324 -0.203 20 30 BBEDLP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262021179 533510421 /nfs/dbraw/zinc/51/04/21/533510421.db2.gz XWTKFCDAFZQPFB-SNVBAGLBSA-N 2 2 226.324 -0.203 20 30 BBEDLP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000262021179 533510418 /nfs/dbraw/zinc/51/04/18/533510418.db2.gz XWTKFCDAFZQPFB-SNVBAGLBSA-N 2 2 226.324 -0.203 20 30 BBEDLP CN(C(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000262180294 135284866 /nfs/dbraw/zinc/28/48/66/135284866.db2.gz DPWXEVLMKRWJBP-JTQLQIEISA-N 2 2 226.324 -0.274 20 30 BBEDLP CN(C(=[NH2+])NC[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000262180294 135284865 /nfs/dbraw/zinc/28/48/65/135284865.db2.gz DPWXEVLMKRWJBP-JTQLQIEISA-N 2 2 226.324 -0.274 20 30 BBEDLP CN(C(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000262180296 135284714 /nfs/dbraw/zinc/28/47/14/135284714.db2.gz DPWXEVLMKRWJBP-SNVBAGLBSA-N 2 2 226.324 -0.274 20 30 BBEDLP CN(C(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000262180296 135284712 /nfs/dbraw/zinc/28/47/12/135284712.db2.gz DPWXEVLMKRWJBP-SNVBAGLBSA-N 2 2 226.324 -0.274 20 30 BBEDLP [NH2+]=C(NCCn1cc[nH+]c1)N1CCOCC1 ZINC000262223325 135117124 /nfs/dbraw/zinc/11/71/24/135117124.db2.gz FXEHDBDILJGDTB-UHFFFAOYSA-N 2 2 223.280 -0.470 20 30 BBEDLP COC[C@@H](C)NC(=[NH2+])NCc1c[nH+]cn1C ZINC000262339621 536521027 /nfs/dbraw/zinc/52/10/27/536521027.db2.gz CGJBDFZUQRPWNL-MRVPVSSYSA-N 2 2 225.296 -0.141 20 30 BBEDLP COC[C@H](C)NC(=[NH2+])NCc1c[nH+]cn1C ZINC000262339626 135294076 /nfs/dbraw/zinc/29/40/76/135294076.db2.gz CGJBDFZUQRPWNL-QMMMGPOBSA-N 2 2 225.296 -0.141 20 30 BBEDLP Cn1c[nH+]cc1CNC(=[NH2+])N1CCOCC1 ZINC000262384921 135117559 /nfs/dbraw/zinc/11/75/59/135117559.db2.gz PPJOVCLYCZAQTN-UHFFFAOYSA-N 2 2 223.280 -0.433 20 30 BBEDLP C[C@H]1CN(C(=[NH2+])NCC[NH+]2CCC2)CCO1 ZINC000262454736 135300004 /nfs/dbraw/zinc/30/00/04/135300004.db2.gz KULYNTZDRYSTOV-JTQLQIEISA-N 2 2 226.324 -0.273 20 30 BBEDLP C[C@@H]1CN(C(=[NH2+])NCC[NH+]2CCC2)CCO1 ZINC000262454739 135300474 /nfs/dbraw/zinc/30/04/74/135300474.db2.gz KULYNTZDRYSTOV-SNVBAGLBSA-N 2 2 226.324 -0.273 20 30 BBEDLP CN1CC[NH+]=C1NCC[N@H+]1CCOC(C)(C)C1 ZINC000262479725 135301873 /nfs/dbraw/zinc/30/18/73/135301873.db2.gz CTWPXYSRRDVMNG-UHFFFAOYSA-N 2 2 240.351 -0.012 20 30 BBEDLP CN1CC[NH+]=C1NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262479725 135301871 /nfs/dbraw/zinc/30/18/71/135301871.db2.gz CTWPXYSRRDVMNG-UHFFFAOYSA-N 2 2 240.351 -0.012 20 30 BBEDLP C[C@H]1CN(C(=[NH2+])NCCn2cc[nH+]c2)CCO1 ZINC000262488785 135302529 /nfs/dbraw/zinc/30/25/29/135302529.db2.gz UDSYQSVMRUDIOW-JTQLQIEISA-N 2 2 237.307 -0.082 20 30 BBEDLP C[C@@H]1CN(C(=[NH2+])NCCn2cc[nH+]c2)CCO1 ZINC000262488786 135302767 /nfs/dbraw/zinc/30/27/67/135302767.db2.gz UDSYQSVMRUDIOW-SNVBAGLBSA-N 2 2 237.307 -0.082 20 30 BBEDLP CN(C)C(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000262527586 135119749 /nfs/dbraw/zinc/11/97/49/135119749.db2.gz LWSISGUQPGUSKG-UHFFFAOYSA-N 2 2 224.312 -0.138 20 30 BBEDLP C#CCNC(NCCn1cc[nH+]c1)=[NH+]C ZINC000262601328 533143177 /nfs/dbraw/zinc/14/31/77/533143177.db2.gz CQJNAEIBZCTVRG-UHFFFAOYSA-N 2 2 205.265 -0.319 20 30 BBEDLP C#CCNC(NC[C@H]1C[N@@H+](C)CCO1)=[NH+]C ZINC000262605854 533141550 /nfs/dbraw/zinc/14/15/50/533141550.db2.gz GIWFUAJCBNFCPB-JTQLQIEISA-N 2 2 224.308 -0.885 20 30 BBEDLP C#CCNC(NC[C@H]1C[N@H+](C)CCO1)=[NH+]C ZINC000262605854 533141549 /nfs/dbraw/zinc/14/15/49/533141549.db2.gz GIWFUAJCBNFCPB-JTQLQIEISA-N 2 2 224.308 -0.885 20 30 BBEDLP C#CCNC(NC[C@@H]1C[N@@H+](C)CCO1)=[NH+]C ZINC000262605855 533141115 /nfs/dbraw/zinc/14/11/15/533141115.db2.gz GIWFUAJCBNFCPB-SNVBAGLBSA-N 2 2 224.308 -0.885 20 30 BBEDLP C#CCNC(NC[C@@H]1C[N@H+](C)CCO1)=[NH+]C ZINC000262605855 533141114 /nfs/dbraw/zinc/14/11/14/533141114.db2.gz GIWFUAJCBNFCPB-SNVBAGLBSA-N 2 2 224.308 -0.885 20 30 BBEDLP CNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000262624715 536305315 /nfs/dbraw/zinc/30/53/15/536305315.db2.gz DEZRSMQREAXQNZ-UHFFFAOYSA-N 2 2 210.285 -0.480 20 30 BBEDLP CNC(NCc1c[nH+]c(N(C)C)n1C)=[NH+]C ZINC000262627355 135119799 /nfs/dbraw/zinc/11/97/99/135119799.db2.gz DPUNGZFHUSUBRC-UHFFFAOYSA-N 2 2 224.312 -0.219 20 30 BBEDLP CN1CC[NH+]=C1NCC[N@H+]1CCCOCC1 ZINC000262638600 135309918 /nfs/dbraw/zinc/30/99/18/135309918.db2.gz HIJMVOBZYSUCIU-UHFFFAOYSA-N 2 2 226.324 -0.400 20 30 BBEDLP CN1CC[NH+]=C1NCC[N@@H+]1CCCOCC1 ZINC000262638600 135309917 /nfs/dbraw/zinc/30/99/17/135309917.db2.gz HIJMVOBZYSUCIU-UHFFFAOYSA-N 2 2 226.324 -0.400 20 30 BBEDLP C[C@H]1C[NH+]=C(NCC[N@H+]2CCCOCC2)N1 ZINC000262652120 135310811 /nfs/dbraw/zinc/31/08/11/135310811.db2.gz KRNBLUBTUAQCJD-JTQLQIEISA-N 2 2 226.324 -0.354 20 30 BBEDLP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCCOCC2)N1 ZINC000262652120 135310810 /nfs/dbraw/zinc/31/08/10/135310810.db2.gz KRNBLUBTUAQCJD-JTQLQIEISA-N 2 2 226.324 -0.354 20 30 BBEDLP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCCOCC2)N1 ZINC000262652121 135310784 /nfs/dbraw/zinc/31/07/84/135310784.db2.gz KRNBLUBTUAQCJD-SNVBAGLBSA-N 2 2 226.324 -0.354 20 30 BBEDLP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCCOCC2)N1 ZINC000262652121 135310783 /nfs/dbraw/zinc/31/07/83/135310783.db2.gz KRNBLUBTUAQCJD-SNVBAGLBSA-N 2 2 226.324 -0.354 20 30 BBEDLP C[C@@H]1C[NH+]=C(NCc2c[nH+]c(N(C)C)n2C)N1 ZINC000262656875 135311696 /nfs/dbraw/zinc/31/16/96/135311696.db2.gz LURNZUVEFBGYOQ-MRVPVSSYSA-N 2 2 236.323 -0.077 20 30 BBEDLP C[C@H]1C[NH+]=C(NCc2c[nH+]c(N(C)C)n2C)N1 ZINC000262656878 135311710 /nfs/dbraw/zinc/31/17/10/135311710.db2.gz LURNZUVEFBGYOQ-QMMMGPOBSA-N 2 2 236.323 -0.077 20 30 BBEDLP CN1CC[NH+]=C1NCC[N@H+]1CCOCC1(C)C ZINC000262670589 136374739 /nfs/dbraw/zinc/37/47/39/136374739.db2.gz QRZMCCQFOWWFGQ-UHFFFAOYSA-N 2 2 240.351 -0.012 20 30 BBEDLP CN1CC[NH+]=C1NCC[N@@H+]1CCOCC1(C)C ZINC000262670589 136374738 /nfs/dbraw/zinc/37/47/38/136374738.db2.gz QRZMCCQFOWWFGQ-UHFFFAOYSA-N 2 2 240.351 -0.012 20 30 BBEDLP CN(C)C(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262681552 135312742 /nfs/dbraw/zinc/31/27/42/135312742.db2.gz AYNPJYRWBARCOR-JTQLQIEISA-N 2 2 226.324 -0.274 20 30 BBEDLP CN(C)C(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262681552 135312740 /nfs/dbraw/zinc/31/27/40/135312740.db2.gz AYNPJYRWBARCOR-JTQLQIEISA-N 2 2 226.324 -0.274 20 30 BBEDLP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262681556 135313104 /nfs/dbraw/zinc/31/31/04/135313104.db2.gz AYNPJYRWBARCOR-SNVBAGLBSA-N 2 2 226.324 -0.274 20 30 BBEDLP CN(C)C(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262681556 135313102 /nfs/dbraw/zinc/31/31/02/135313102.db2.gz AYNPJYRWBARCOR-SNVBAGLBSA-N 2 2 226.324 -0.274 20 30 BBEDLP CN1CC[NH+]=C1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262682437 135313166 /nfs/dbraw/zinc/31/31/66/135313166.db2.gz BQTPKCGEQLNHMF-LLVKDONJSA-N 2 2 238.335 -0.259 20 30 BBEDLP CN1CC[NH+]=C1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262682437 135313164 /nfs/dbraw/zinc/31/31/64/135313164.db2.gz BQTPKCGEQLNHMF-LLVKDONJSA-N 2 2 238.335 -0.259 20 30 BBEDLP CN1CC[NH+]=C1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262682438 135313073 /nfs/dbraw/zinc/31/30/73/135313073.db2.gz BQTPKCGEQLNHMF-NSHDSACASA-N 2 2 238.335 -0.259 20 30 BBEDLP CN1CC[NH+]=C1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262682438 135313071 /nfs/dbraw/zinc/31/30/71/135313071.db2.gz BQTPKCGEQLNHMF-NSHDSACASA-N 2 2 238.335 -0.259 20 30 BBEDLP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)NC1CC1 ZINC000262684964 135314091 /nfs/dbraw/zinc/31/40/91/135314091.db2.gz CURHMNGJBUALHL-LLVKDONJSA-N 2 2 238.335 -0.084 20 30 BBEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)NC1CC1 ZINC000262684964 135314089 /nfs/dbraw/zinc/31/40/89/135314089.db2.gz CURHMNGJBUALHL-LLVKDONJSA-N 2 2 238.335 -0.084 20 30 BBEDLP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC1CC1 ZINC000262684965 135313636 /nfs/dbraw/zinc/31/36/36/135313636.db2.gz CURHMNGJBUALHL-NSHDSACASA-N 2 2 238.335 -0.084 20 30 BBEDLP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC1CC1 ZINC000262684965 135313635 /nfs/dbraw/zinc/31/36/35/135313635.db2.gz CURHMNGJBUALHL-NSHDSACASA-N 2 2 238.335 -0.084 20 30 BBEDLP C=CCNC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262715230 135315512 /nfs/dbraw/zinc/31/55/12/135315512.db2.gz RMYDLDOIWWTEJU-LLVKDONJSA-N 2 2 238.335 -0.060 20 30 BBEDLP C=CCNC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262715230 135315511 /nfs/dbraw/zinc/31/55/11/135315511.db2.gz RMYDLDOIWWTEJU-LLVKDONJSA-N 2 2 238.335 -0.060 20 30 BBEDLP C=CCNC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262715231 135316024 /nfs/dbraw/zinc/31/60/24/135316024.db2.gz RMYDLDOIWWTEJU-NSHDSACASA-N 2 2 238.335 -0.060 20 30 BBEDLP C=CCNC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262715231 135316022 /nfs/dbraw/zinc/31/60/22/135316022.db2.gz RMYDLDOIWWTEJU-NSHDSACASA-N 2 2 238.335 -0.060 20 30 BBEDLP C#CCNC(NCC[NH+]1CCSCC1)=[NH+]C ZINC000262753997 533143132 /nfs/dbraw/zinc/14/31/32/533143132.db2.gz ALUCSVGBKODOCS-UHFFFAOYSA-N 2 2 240.376 -0.167 20 30 BBEDLP C#CCNC(NCc1c[nH+]c(N(C)C)n1C)=[NH+]C ZINC000262791789 533141181 /nfs/dbraw/zinc/14/11/81/533141181.db2.gz OERFYXLNRGZGJG-UHFFFAOYSA-N 2 2 248.334 -0.216 20 30 BBEDLP [NH2+]=C(NCC[NH+]1CCC1)N1CCOCC1 ZINC000262815978 135320268 /nfs/dbraw/zinc/32/02/68/135320268.db2.gz WOYUYAMFWBGEGZ-UHFFFAOYSA-N 2 2 212.297 -0.661 20 30 BBEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCC1 ZINC000263058246 135329739 /nfs/dbraw/zinc/32/97/39/135329739.db2.gz FFEOALYWRDTFTI-PHIMTYICSA-N 2 2 238.335 -0.130 20 30 BBEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCC1 ZINC000263058246 135329737 /nfs/dbraw/zinc/32/97/37/135329737.db2.gz FFEOALYWRDTFTI-PHIMTYICSA-N 2 2 238.335 -0.130 20 30 BBEDLP CN1CCC[NH+]=C1NCC[N@H+]1CCCOCC1 ZINC000263104111 536361245 /nfs/dbraw/zinc/36/12/45/536361245.db2.gz KIWWOGWXKLUHFZ-UHFFFAOYSA-N 2 2 240.351 -0.010 20 30 BBEDLP CN1CCC[NH+]=C1NCC[N@@H+]1CCCOCC1 ZINC000263104111 536361241 /nfs/dbraw/zinc/36/12/41/536361241.db2.gz KIWWOGWXKLUHFZ-UHFFFAOYSA-N 2 2 240.351 -0.010 20 30 BBEDLP C[C@H]1C[NH+]=C(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)N1 ZINC000263209020 135339172 /nfs/dbraw/zinc/33/91/72/135339172.db2.gz YSCXEMSKLDKCSK-GARJFASQSA-N 2 2 238.335 -0.213 20 30 BBEDLP C[C@H]1C[NH+]=C(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)N1 ZINC000263209020 135339170 /nfs/dbraw/zinc/33/91/70/135339170.db2.gz YSCXEMSKLDKCSK-GARJFASQSA-N 2 2 238.335 -0.213 20 30 BBEDLP C[C@@H]1C[NH+]=C(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)N1 ZINC000263209022 135339397 /nfs/dbraw/zinc/33/93/97/135339397.db2.gz YSCXEMSKLDKCSK-MXWKQRLJSA-N 2 2 238.335 -0.213 20 30 BBEDLP C[C@@H]1C[NH+]=C(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)N1 ZINC000263209022 135339395 /nfs/dbraw/zinc/33/93/95/135339395.db2.gz YSCXEMSKLDKCSK-MXWKQRLJSA-N 2 2 238.335 -0.213 20 30 BBEDLP C=CCNC(NC[C@H]1C[N@@H+](C)CCO1)=[NH+]C ZINC000263278568 135126063 /nfs/dbraw/zinc/12/60/63/135126063.db2.gz ZHAIEYFTDHBLKJ-JTQLQIEISA-N 2 2 226.324 -0.332 20 30 BBEDLP C=CCNC(NC[C@H]1C[N@H+](C)CCO1)=[NH+]C ZINC000263278568 135126061 /nfs/dbraw/zinc/12/60/61/135126061.db2.gz ZHAIEYFTDHBLKJ-JTQLQIEISA-N 2 2 226.324 -0.332 20 30 BBEDLP C=CCNC(NC[C@@H]1C[N@@H+](C)CCO1)=[NH+]C ZINC000263278575 135126095 /nfs/dbraw/zinc/12/60/95/135126095.db2.gz ZHAIEYFTDHBLKJ-SNVBAGLBSA-N 2 2 226.324 -0.332 20 30 BBEDLP C=CCNC(NC[C@@H]1C[N@H+](C)CCO1)=[NH+]C ZINC000263278575 135126093 /nfs/dbraw/zinc/12/60/93/135126093.db2.gz ZHAIEYFTDHBLKJ-SNVBAGLBSA-N 2 2 226.324 -0.332 20 30 BBEDLP C#CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000263874152 386185125 /nfs/dbraw/zinc/18/51/25/386185125.db2.gz JMGOBLIZDDLRLG-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP COCCNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264075150 135131938 /nfs/dbraw/zinc/13/19/38/135131938.db2.gz HBBLZHBLHZETTR-UHFFFAOYSA-N 2 2 211.269 -0.566 20 30 BBEDLP C=CCNC(=[NH2+])NCC[N@H+](C)CCOC ZINC000264078851 135131791 /nfs/dbraw/zinc/13/17/91/135131791.db2.gz GRZOYJOUTQWNJI-UHFFFAOYSA-N 2 2 214.313 -0.345 20 30 BBEDLP C=CCNC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000264078851 135131790 /nfs/dbraw/zinc/13/17/90/135131790.db2.gz GRZOYJOUTQWNJI-UHFFFAOYSA-N 2 2 214.313 -0.345 20 30 BBEDLP COCCNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264087115 135132556 /nfs/dbraw/zinc/13/25/56/135132556.db2.gz JXDQMYLDIGOTDX-UHFFFAOYSA-N 2 2 225.296 -0.176 20 30 BBEDLP COC[C@@H](C)NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264090166 135132579 /nfs/dbraw/zinc/13/25/79/135132579.db2.gz KPNWWHIPTOOOLE-SECBINFHSA-N 2 2 225.296 -0.178 20 30 BBEDLP COC[C@H](C)NC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264090169 135132478 /nfs/dbraw/zinc/13/24/78/135132478.db2.gz KPNWWHIPTOOOLE-VIFPVBQESA-N 2 2 225.296 -0.178 20 30 BBEDLP [NH2+]=C(NCCCn1cc[nH+]c1)N1CCOCC1 ZINC000264151869 135135950 /nfs/dbraw/zinc/13/59/50/135135950.db2.gz ZJIOBNIIOIFGTN-UHFFFAOYSA-N 2 2 237.307 -0.080 20 30 BBEDLP CCNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267476511 535424084 /nfs/dbraw/zinc/42/40/84/535424084.db2.gz ZLVSOBXYODSVLS-UHFFFAOYSA-N 2 2 224.312 -0.090 20 30 BBEDLP C#CC[NH+](CC#C)CCC(=O)N1CC[NH+](C)CC1 ZINC000275186424 187750232 /nfs/dbraw/zinc/75/02/32/187750232.db2.gz CCPNQHIAJDSACJ-UHFFFAOYSA-N 2 2 247.342 -0.281 20 30 BBEDLP CN(C)c1[nH+]cc(CNC2=[NH+]CCN2C)n1C ZINC000285176488 352027176 /nfs/dbraw/zinc/02/71/76/352027176.db2.gz UITRXBYMBWLIRJ-UHFFFAOYSA-N 2 2 236.323 -0.123 20 30 BBEDLP CC(C)[C@@H](CNC(N)=[NH2+])[NH+]1CCOCC1 ZINC000303256215 134233183 /nfs/dbraw/zinc/23/31/83/134233183.db2.gz HNLWFOSZELTKGI-SECBINFHSA-N 2 2 214.313 -0.383 20 30 BBEDLP CC(C)[C@H](CNC(N)=[NH2+])[NH+]1CCOCC1 ZINC000303256216 534993419 /nfs/dbraw/zinc/99/34/19/534993419.db2.gz HNLWFOSZELTKGI-VIFPVBQESA-N 2 2 214.313 -0.383 20 30 BBEDLP CNC(NCC[N@@H+](C)CCOC)=[NH+]C ZINC000303405721 644822122 /nfs/dbraw/zinc/82/21/22/644822122.db2.gz QKROMPVUVUJMFN-UHFFFAOYSA-N 2 2 202.302 -0.641 20 30 BBEDLP CNC(NCC[N@H+](C)CCOC)=[NH+]C ZINC000303405721 644822118 /nfs/dbraw/zinc/82/21/18/644822118.db2.gz QKROMPVUVUJMFN-UHFFFAOYSA-N 2 2 202.302 -0.641 20 30 BBEDLP CCN(CC)C(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303974023 535389395 /nfs/dbraw/zinc/38/93/95/535389395.db2.gz HLGDLTXDDFFAOI-JTQLQIEISA-N 2 2 228.340 -0.027 20 30 BBEDLP CCN(CC)C(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303974023 535389389 /nfs/dbraw/zinc/38/93/89/535389389.db2.gz HLGDLTXDDFFAOI-JTQLQIEISA-N 2 2 228.340 -0.027 20 30 BBEDLP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303974024 535389563 /nfs/dbraw/zinc/38/95/63/535389563.db2.gz HLGDLTXDDFFAOI-SNVBAGLBSA-N 2 2 228.340 -0.027 20 30 BBEDLP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303974024 535389561 /nfs/dbraw/zinc/38/95/61/535389561.db2.gz HLGDLTXDDFFAOI-SNVBAGLBSA-N 2 2 228.340 -0.027 20 30 BBEDLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000303979145 644862550 /nfs/dbraw/zinc/86/25/50/644862550.db2.gz MTJCDCJMBFNCAW-JTQLQIEISA-N 2 2 246.355 -0.496 20 30 BBEDLP COCC[N@H+](C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000303979145 644862546 /nfs/dbraw/zinc/86/25/46/644862546.db2.gz MTJCDCJMBFNCAW-JTQLQIEISA-N 2 2 246.355 -0.496 20 30 BBEDLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@H](C)COC ZINC000303979146 644863160 /nfs/dbraw/zinc/86/31/60/644863160.db2.gz MTJCDCJMBFNCAW-SNVBAGLBSA-N 2 2 246.355 -0.496 20 30 BBEDLP COCC[N@H+](C)CCNC(=[NH2+])N[C@H](C)COC ZINC000303979146 644863158 /nfs/dbraw/zinc/86/31/58/644863158.db2.gz MTJCDCJMBFNCAW-SNVBAGLBSA-N 2 2 246.355 -0.496 20 30 BBEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303989404 536520903 /nfs/dbraw/zinc/52/09/03/536520903.db2.gz XNHJPUSIBKXMMA-NXEZZACHSA-N 2 2 244.339 -0.744 20 30 BBEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303989404 536520895 /nfs/dbraw/zinc/52/08/95/536520895.db2.gz XNHJPUSIBKXMMA-NXEZZACHSA-N 2 2 244.339 -0.744 20 30 BBEDLP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303989406 134235839 /nfs/dbraw/zinc/23/58/39/134235839.db2.gz XNHJPUSIBKXMMA-UWVGGRQHSA-N 2 2 244.339 -0.744 20 30 BBEDLP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303989406 134235838 /nfs/dbraw/zinc/23/58/38/134235838.db2.gz XNHJPUSIBKXMMA-UWVGGRQHSA-N 2 2 244.339 -0.744 20 30 BBEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303989407 134235827 /nfs/dbraw/zinc/23/58/27/134235827.db2.gz XNHJPUSIBKXMMA-VHSXEESVSA-N 2 2 244.339 -0.744 20 30 BBEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303989407 134235826 /nfs/dbraw/zinc/23/58/26/134235826.db2.gz XNHJPUSIBKXMMA-VHSXEESVSA-N 2 2 244.339 -0.744 20 30 BBEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303989408 536520646 /nfs/dbraw/zinc/52/06/46/536520646.db2.gz XNHJPUSIBKXMMA-ZJUUUORDSA-N 2 2 244.339 -0.744 20 30 BBEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303989408 536520643 /nfs/dbraw/zinc/52/06/43/536520643.db2.gz XNHJPUSIBKXMMA-ZJUUUORDSA-N 2 2 244.339 -0.744 20 30 BBEDLP CNC(NCC[NH+]1CCSCC1)=[NH+]C ZINC000306576271 643186938 /nfs/dbraw/zinc/18/69/38/643186938.db2.gz KHAKHYZJTSIKCT-UHFFFAOYSA-N 2 2 216.354 -0.170 20 30 BBEDLP C=CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000327983923 364803310 /nfs/dbraw/zinc/80/33/10/364803310.db2.gz FNDDCCMDEMVLBX-SECBINFHSA-N 2 2 212.297 -0.543 20 30 BBEDLP C=CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000327983924 364803548 /nfs/dbraw/zinc/80/35/48/364803548.db2.gz FNDDCCMDEMVLBX-VIFPVBQESA-N 2 2 212.297 -0.543 20 30 BBEDLP C=CCNC(=O)C[NH2+]Cc1c[nH+]cn1C ZINC000336725364 365364612 /nfs/dbraw/zinc/36/46/12/365364612.db2.gz GIPWNNRGANTXQV-UHFFFAOYSA-N 2 2 208.265 -0.188 20 30 BBEDLP C[N@@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000338311816 536299223 /nfs/dbraw/zinc/29/92/23/536299223.db2.gz DHBUWQJHXNENGC-UHFFFAOYSA-N 2 2 238.335 -0.004 20 30 BBEDLP C[N@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000338311816 536299218 /nfs/dbraw/zinc/29/92/18/536299218.db2.gz DHBUWQJHXNENGC-UHFFFAOYSA-N 2 2 238.335 -0.004 20 30 BBEDLP CC#CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000339766074 135081201 /nfs/dbraw/zinc/08/12/01/135081201.db2.gz NSKYXVODBJNICC-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP CC#CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000339766074 135081199 /nfs/dbraw/zinc/08/11/99/135081199.db2.gz NSKYXVODBJNICC-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP C=CCNC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342135141 534861924 /nfs/dbraw/zinc/86/19/24/534861924.db2.gz OCRJYAVTXPDMKI-UHFFFAOYSA-N 2 2 240.307 -0.531 20 30 BBEDLP CNC(NC[C@H]1C[N@H+](C2CC2)CCO1)=[NH+]C ZINC000368356049 134218148 /nfs/dbraw/zinc/21/81/48/134218148.db2.gz VBEHXAXZXXWNMK-JTQLQIEISA-N 2 2 226.324 -0.356 20 30 BBEDLP CNC(NC[C@H]1C[N@@H+](C2CC2)CCO1)=[NH+]C ZINC000368356049 134218147 /nfs/dbraw/zinc/21/81/47/134218147.db2.gz VBEHXAXZXXWNMK-JTQLQIEISA-N 2 2 226.324 -0.356 20 30 BBEDLP CNC(NC[C@@H]1C[N@H+](C2CC2)CCO1)=[NH+]C ZINC000368356050 134218096 /nfs/dbraw/zinc/21/80/96/134218096.db2.gz VBEHXAXZXXWNMK-SNVBAGLBSA-N 2 2 226.324 -0.356 20 30 BBEDLP CNC(NC[C@@H]1C[N@@H+](C2CC2)CCO1)=[NH+]C ZINC000368356050 134218095 /nfs/dbraw/zinc/21/80/95/134218095.db2.gz VBEHXAXZXXWNMK-SNVBAGLBSA-N 2 2 226.324 -0.356 20 30 BBEDLP C#CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374999591 533149606 /nfs/dbraw/zinc/14/96/06/533149606.db2.gz RHTWHRMODMJWJU-UHFFFAOYSA-N 2 2 238.331 -0.221 20 30 BBEDLP C#CC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378594582 533150137 /nfs/dbraw/zinc/15/01/37/533150137.db2.gz GGAQZZHIDFJGOP-UHFFFAOYSA-N 2 2 235.331 -0.142 20 30 BBEDLP C#CC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378594582 533150130 /nfs/dbraw/zinc/15/01/30/533150130.db2.gz GGAQZZHIDFJGOP-UHFFFAOYSA-N 2 2 235.331 -0.142 20 30 BBEDLP C[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000381644856 344529747 /nfs/dbraw/zinc/52/97/47/344529747.db2.gz BKAIABLQJFDSNN-JTQLQIEISA-N 2 2 224.308 -0.348 20 30 BBEDLP C[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000381644857 346534683 /nfs/dbraw/zinc/53/46/83/346534683.db2.gz BKAIABLQJFDSNN-SNVBAGLBSA-N 2 2 224.308 -0.348 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000385184285 367806330 /nfs/dbraw/zinc/80/63/30/367806330.db2.gz NQUCLTHKTFKYPR-UHFFFAOYSA-N 2 2 240.307 -0.580 20 30 BBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000385184285 367806325 /nfs/dbraw/zinc/80/63/25/367806325.db2.gz NQUCLTHKTFKYPR-UHFFFAOYSA-N 2 2 240.307 -0.580 20 30 BBEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnnn1C ZINC000392766116 711152311 /nfs/dbraw/zinc/15/23/11/711152311.db2.gz GJPPKRCMIHARNT-UHFFFAOYSA-N 2 2 221.308 -0.140 20 30 BBEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnnn1C ZINC000392766116 711152307 /nfs/dbraw/zinc/15/23/07/711152307.db2.gz GJPPKRCMIHARNT-UHFFFAOYSA-N 2 2 221.308 -0.140 20 30 BBEDLP C#CC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000392840279 323387181 /nfs/dbraw/zinc/38/71/81/323387181.db2.gz YUIAIBHOSAJGFB-UHFFFAOYSA-N 2 2 234.303 -0.046 20 30 BBEDLP C#CC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000392840279 323387177 /nfs/dbraw/zinc/38/71/77/323387177.db2.gz YUIAIBHOSAJGFB-UHFFFAOYSA-N 2 2 234.303 -0.046 20 30 BBEDLP Cc1cc(NC[C@H]2C[NH2+]CCN2C)c(C#N)c[nH+]1 ZINC000399082871 386198343 /nfs/dbraw/zinc/19/83/43/386198343.db2.gz QHCVZETVUXYQKT-GFCCVEGCSA-N 2 2 245.330 -0.001 20 30 BBEDLP Cc1cc(NC[C@@H]2C[NH2+]CCN2C)c(C#N)c[nH+]1 ZINC000399083532 386198551 /nfs/dbraw/zinc/19/85/51/386198551.db2.gz QHCVZETVUXYQKT-LBPRGKRZSA-N 2 2 245.330 -0.001 20 30 BBEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405543263 411434584 /nfs/dbraw/zinc/43/45/84/411434584.db2.gz UKDWWRBRICFUIS-GHMZBOCLSA-N 2 2 241.335 -0.416 20 30 BBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405543263 411434581 /nfs/dbraw/zinc/43/45/81/411434581.db2.gz UKDWWRBRICFUIS-GHMZBOCLSA-N 2 2 241.335 -0.416 20 30 BBEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC000429038350 201061257 /nfs/dbraw/zinc/06/12/57/201061257.db2.gz WOLGJECXQRMTET-GFCCVEGCSA-N 2 2 236.319 -0.346 20 30 BBEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC000429038350 201061254 /nfs/dbraw/zinc/06/12/54/201061254.db2.gz WOLGJECXQRMTET-GFCCVEGCSA-N 2 2 236.319 -0.346 20 30 BBEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC000429038350 201061250 /nfs/dbraw/zinc/06/12/50/201061250.db2.gz WOLGJECXQRMTET-GFCCVEGCSA-N 2 2 236.319 -0.346 20 30 BBEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC000429038350 201061246 /nfs/dbraw/zinc/06/12/46/201061246.db2.gz WOLGJECXQRMTET-GFCCVEGCSA-N 2 2 236.319 -0.346 20 30 BBEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC000429038353 201060357 /nfs/dbraw/zinc/06/03/57/201060357.db2.gz WOLGJECXQRMTET-LBPRGKRZSA-N 2 2 236.319 -0.346 20 30 BBEDLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC000429038353 201060354 /nfs/dbraw/zinc/06/03/54/201060354.db2.gz WOLGJECXQRMTET-LBPRGKRZSA-N 2 2 236.319 -0.346 20 30 BBEDLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC000429038353 201060352 /nfs/dbraw/zinc/06/03/52/201060352.db2.gz WOLGJECXQRMTET-LBPRGKRZSA-N 2 2 236.319 -0.346 20 30 BBEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC000429038353 201060348 /nfs/dbraw/zinc/06/03/48/201060348.db2.gz WOLGJECXQRMTET-LBPRGKRZSA-N 2 2 236.319 -0.346 20 30 BBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442662228 387818044 /nfs/dbraw/zinc/81/80/44/387818044.db2.gz PSXJAMBIPABAFE-LLVKDONJSA-N 2 2 240.351 -0.747 20 30 BBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442662231 387818004 /nfs/dbraw/zinc/81/80/04/387818004.db2.gz PSXJAMBIPABAFE-NSHDSACASA-N 2 2 240.351 -0.747 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000490618518 388242754 /nfs/dbraw/zinc/24/27/54/388242754.db2.gz WQBXQHRAIGKPOT-UHFFFAOYSA-N 2 2 235.331 -0.140 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CC2)CC1 ZINC000490740417 388251808 /nfs/dbraw/zinc/25/18/08/388251808.db2.gz LHDFTGNFHIVMRQ-UHFFFAOYSA-N 2 2 235.331 -0.142 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CC2)CC1 ZINC000490740417 388251807 /nfs/dbraw/zinc/25/18/07/388251807.db2.gz LHDFTGNFHIVMRQ-UHFFFAOYSA-N 2 2 235.331 -0.142 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000490923171 388260260 /nfs/dbraw/zinc/26/02/60/388260260.db2.gz IVGOUNUQKNKSMT-UHFFFAOYSA-N 2 2 246.314 -0.031 20 30 BBEDLP C#CC[N@@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000490925692 388260247 /nfs/dbraw/zinc/26/02/47/388260247.db2.gz XLVMTYNYMFTANT-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP C#CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000491219440 388278237 /nfs/dbraw/zinc/27/82/37/388278237.db2.gz FKMDRQGVEXIOOE-UHFFFAOYSA-N 2 2 209.293 -0.675 20 30 BBEDLP C#CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000491219440 388278236 /nfs/dbraw/zinc/27/82/36/388278236.db2.gz FKMDRQGVEXIOOE-UHFFFAOYSA-N 2 2 209.293 -0.675 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@@H](C)C[NH+](C)C ZINC000491381698 388290281 /nfs/dbraw/zinc/29/02/81/388290281.db2.gz GLGGUUILTUIDQJ-JTQLQIEISA-N 2 2 211.309 -0.334 20 30 BBEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)[NH+](C)C ZINC000491525875 388301625 /nfs/dbraw/zinc/30/16/25/388301625.db2.gz VZLNLBDUSBDYBB-JTQLQIEISA-N 2 2 211.309 -0.334 20 30 BBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000491565825 388303999 /nfs/dbraw/zinc/30/39/99/388303999.db2.gz CNIKTGPFLSMHAG-LLVKDONJSA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@H+]1C ZINC000491565825 388303998 /nfs/dbraw/zinc/30/39/98/388303998.db2.gz CNIKTGPFLSMHAG-LLVKDONJSA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000491565826 388303828 /nfs/dbraw/zinc/30/38/28/388303828.db2.gz CNIKTGPFLSMHAG-NSHDSACASA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000491565826 388303827 /nfs/dbraw/zinc/30/38/27/388303827.db2.gz CNIKTGPFLSMHAG-NSHDSACASA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000491569834 388304590 /nfs/dbraw/zinc/30/45/90/388304590.db2.gz YGZDGPFDFBTXCX-JTQLQIEISA-N 2 2 246.314 -0.004 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000491569834 388304589 /nfs/dbraw/zinc/30/45/89/388304589.db2.gz YGZDGPFDFBTXCX-JTQLQIEISA-N 2 2 246.314 -0.004 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000491569835 388304440 /nfs/dbraw/zinc/30/44/40/388304440.db2.gz YGZDGPFDFBTXCX-SNVBAGLBSA-N 2 2 246.314 -0.004 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000491569835 388304439 /nfs/dbraw/zinc/30/44/39/388304439.db2.gz YGZDGPFDFBTXCX-SNVBAGLBSA-N 2 2 246.314 -0.004 20 30 BBEDLP C#CCNC(=O)CC[NH2+]CCn1cc[nH+]c1 ZINC000491623815 398049935 /nfs/dbraw/zinc/04/99/35/398049935.db2.gz QOQDZQWLEHECLL-UHFFFAOYSA-N 2 2 220.276 -0.388 20 30 BBEDLP C#CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000491647153 388307773 /nfs/dbraw/zinc/30/77/73/388307773.db2.gz WSQGWHXSNMDMCL-UHFFFAOYSA-N 2 2 235.331 -0.142 20 30 BBEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000491647153 388307772 /nfs/dbraw/zinc/30/77/72/388307772.db2.gz WSQGWHXSNMDMCL-UHFFFAOYSA-N 2 2 235.331 -0.142 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000491691171 388311286 /nfs/dbraw/zinc/31/12/86/388311286.db2.gz FJOVQTADWFZFTG-LLVKDONJSA-N 2 2 246.314 -0.073 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000491691173 388311102 /nfs/dbraw/zinc/31/11/02/388311102.db2.gz FJOVQTADWFZFTG-NSHDSACASA-N 2 2 246.314 -0.073 20 30 BBEDLP C#C[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491701325 385566639 /nfs/dbraw/zinc/56/66/39/385566639.db2.gz WKFQSSCCDVVSFC-GXSJLCMTSA-N 2 2 212.293 -0.975 20 30 BBEDLP C#C[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491701325 385566638 /nfs/dbraw/zinc/56/66/38/385566638.db2.gz WKFQSSCCDVVSFC-GXSJLCMTSA-N 2 2 212.293 -0.975 20 30 BBEDLP C#C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000491701340 385566581 /nfs/dbraw/zinc/56/65/81/385566581.db2.gz WKFQSSCCDVVSFC-KOLCDFICSA-N 2 2 212.293 -0.975 20 30 BBEDLP C#C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000491701340 385566575 /nfs/dbraw/zinc/56/65/75/385566575.db2.gz WKFQSSCCDVVSFC-KOLCDFICSA-N 2 2 212.293 -0.975 20 30 BBEDLP C#C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491701342 385566789 /nfs/dbraw/zinc/56/67/89/385566789.db2.gz WKFQSSCCDVVSFC-MWLCHTKSSA-N 2 2 212.293 -0.975 20 30 BBEDLP C#C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000491701342 385566788 /nfs/dbraw/zinc/56/67/88/385566788.db2.gz WKFQSSCCDVVSFC-MWLCHTKSSA-N 2 2 212.293 -0.975 20 30 BBEDLP C#C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000491701363 385566761 /nfs/dbraw/zinc/56/67/61/385566761.db2.gz WKFQSSCCDVVSFC-ONGXEEELSA-N 2 2 212.293 -0.975 20 30 BBEDLP C#C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000491701363 385566760 /nfs/dbraw/zinc/56/67/60/385566760.db2.gz WKFQSSCCDVVSFC-ONGXEEELSA-N 2 2 212.293 -0.975 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000491703422 388312825 /nfs/dbraw/zinc/31/28/25/388312825.db2.gz WZFKFJRBXSPCDP-LLVKDONJSA-N 2 2 235.331 -0.048 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491703422 388312824 /nfs/dbraw/zinc/31/28/24/388312824.db2.gz WZFKFJRBXSPCDP-LLVKDONJSA-N 2 2 235.331 -0.048 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000491703426 526987174 /nfs/dbraw/zinc/98/71/74/526987174.db2.gz WZFKFJRBXSPCDP-NSHDSACASA-N 2 2 235.331 -0.048 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000491703426 526987169 /nfs/dbraw/zinc/98/71/69/526987169.db2.gz WZFKFJRBXSPCDP-NSHDSACASA-N 2 2 235.331 -0.048 20 30 BBEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000491724707 388314855 /nfs/dbraw/zinc/31/48/55/388314855.db2.gz GVAMNDGTYVEHIR-LLVKDONJSA-N 2 2 223.320 -0.286 20 30 BBEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000491724707 388314854 /nfs/dbraw/zinc/31/48/54/388314854.db2.gz GVAMNDGTYVEHIR-LLVKDONJSA-N 2 2 223.320 -0.286 20 30 BBEDLP C#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000491724714 388314805 /nfs/dbraw/zinc/31/48/05/388314805.db2.gz GVAMNDGTYVEHIR-NSHDSACASA-N 2 2 223.320 -0.286 20 30 BBEDLP C#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000491724714 388314804 /nfs/dbraw/zinc/31/48/04/388314804.db2.gz GVAMNDGTYVEHIR-NSHDSACASA-N 2 2 223.320 -0.286 20 30 BBEDLP C#CCNC(=O)CC[NH2+]CC[N@@H+](CC)CCO ZINC000491746526 388317268 /nfs/dbraw/zinc/31/72/68/388317268.db2.gz LPNOBUQACRVSAQ-UHFFFAOYSA-N 2 2 241.335 -0.970 20 30 BBEDLP C#CCNC(=O)CC[NH2+]CC[N@H+](CC)CCO ZINC000491746526 388317267 /nfs/dbraw/zinc/31/72/67/388317267.db2.gz LPNOBUQACRVSAQ-UHFFFAOYSA-N 2 2 241.335 -0.970 20 30 BBEDLP C#CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000491770783 384624889 /nfs/dbraw/zinc/62/48/89/384624889.db2.gz NAYLOAXFKJTEGS-LLVKDONJSA-N 2 2 214.309 -0.510 20 30 BBEDLP C#CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000491770783 384624884 /nfs/dbraw/zinc/62/48/84/384624884.db2.gz NAYLOAXFKJTEGS-LLVKDONJSA-N 2 2 214.309 -0.510 20 30 BBEDLP C#CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000491770783 384624879 /nfs/dbraw/zinc/62/48/79/384624879.db2.gz NAYLOAXFKJTEGS-LLVKDONJSA-N 2 2 214.309 -0.510 20 30 BBEDLP C#CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491770783 384624866 /nfs/dbraw/zinc/62/48/66/384624866.db2.gz NAYLOAXFKJTEGS-LLVKDONJSA-N 2 2 214.309 -0.510 20 30 BBEDLP C#CC[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000491770794 384627066 /nfs/dbraw/zinc/62/70/66/384627066.db2.gz NAYLOAXFKJTEGS-NSHDSACASA-N 2 2 214.309 -0.510 20 30 BBEDLP C#CC[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000491770794 384627062 /nfs/dbraw/zinc/62/70/62/384627062.db2.gz NAYLOAXFKJTEGS-NSHDSACASA-N 2 2 214.309 -0.510 20 30 BBEDLP C#CC[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000491770794 384627058 /nfs/dbraw/zinc/62/70/58/384627058.db2.gz NAYLOAXFKJTEGS-NSHDSACASA-N 2 2 214.309 -0.510 20 30 BBEDLP C#CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000491770794 384627053 /nfs/dbraw/zinc/62/70/53/384627053.db2.gz NAYLOAXFKJTEGS-NSHDSACASA-N 2 2 214.309 -0.510 20 30 BBEDLP C#CCNC(=O)CC[NH2+]CC[N@H+](C)C1CC1 ZINC000491786299 490118579 /nfs/dbraw/zinc/11/85/79/490118579.db2.gz WEAJJNQEXKJKJY-UHFFFAOYSA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCNC(=O)CC[NH2+]CC[N@@H+](C)C1CC1 ZINC000491786299 490118574 /nfs/dbraw/zinc/11/85/74/490118574.db2.gz WEAJJNQEXKJKJY-UHFFFAOYSA-N 2 2 223.320 -0.190 20 30 BBEDLP C#C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000491801895 388321691 /nfs/dbraw/zinc/32/16/91/388321691.db2.gz DYAJXLZUIYZGAA-NEPJUHHUSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000491801895 388321690 /nfs/dbraw/zinc/32/16/90/388321690.db2.gz DYAJXLZUIYZGAA-NEPJUHHUSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000491801895 388321689 /nfs/dbraw/zinc/32/16/89/388321689.db2.gz DYAJXLZUIYZGAA-NEPJUHHUSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491801895 388321688 /nfs/dbraw/zinc/32/16/88/388321688.db2.gz DYAJXLZUIYZGAA-NEPJUHHUSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000491801897 388321478 /nfs/dbraw/zinc/32/14/78/388321478.db2.gz DYAJXLZUIYZGAA-NWDGAFQWSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000491801897 388321477 /nfs/dbraw/zinc/32/14/77/388321477.db2.gz DYAJXLZUIYZGAA-NWDGAFQWSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000491801897 388321476 /nfs/dbraw/zinc/32/14/76/388321476.db2.gz DYAJXLZUIYZGAA-NWDGAFQWSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000491801897 388321475 /nfs/dbraw/zinc/32/14/75/388321475.db2.gz DYAJXLZUIYZGAA-NWDGAFQWSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000491801899 388321599 /nfs/dbraw/zinc/32/15/99/388321599.db2.gz DYAJXLZUIYZGAA-RYUDHWBXSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000491801899 388321598 /nfs/dbraw/zinc/32/15/98/388321598.db2.gz DYAJXLZUIYZGAA-RYUDHWBXSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000491801899 388321597 /nfs/dbraw/zinc/32/15/97/388321597.db2.gz DYAJXLZUIYZGAA-RYUDHWBXSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491801899 388321596 /nfs/dbraw/zinc/32/15/96/388321596.db2.gz DYAJXLZUIYZGAA-RYUDHWBXSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000491801901 388321665 /nfs/dbraw/zinc/32/16/65/388321665.db2.gz DYAJXLZUIYZGAA-VXGBXAGGSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000491801901 388321664 /nfs/dbraw/zinc/32/16/64/388321664.db2.gz DYAJXLZUIYZGAA-VXGBXAGGSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000491801901 388321663 /nfs/dbraw/zinc/32/16/63/388321663.db2.gz DYAJXLZUIYZGAA-VXGBXAGGSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#C[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000491801901 388321662 /nfs/dbraw/zinc/32/16/62/388321662.db2.gz DYAJXLZUIYZGAA-VXGBXAGGSA-N 2 2 228.336 -0.121 20 30 BBEDLP C#CCNC(=O)CC[NH2+]CCc1cn(C)c[nH+]1 ZINC000491803415 526983052 /nfs/dbraw/zinc/98/30/52/526983052.db2.gz JDXQSSHRXJRQHH-UHFFFAOYSA-N 2 2 234.303 -0.308 20 30 BBEDLP C#CC[NH+](CC)C[C@H](O)C[N@@H+](C)CCOC ZINC000491812452 398072236 /nfs/dbraw/zinc/07/22/36/398072236.db2.gz HOJYNHBFVLZMRY-GFCCVEGCSA-N 2 2 228.336 -0.119 20 30 BBEDLP C#CC[NH+](CC)C[C@H](O)C[N@H+](C)CCOC ZINC000491812452 398072235 /nfs/dbraw/zinc/07/22/35/398072235.db2.gz HOJYNHBFVLZMRY-GFCCVEGCSA-N 2 2 228.336 -0.119 20 30 BBEDLP C#CC[N@H+](CC)C[C@H](O)C[NH+](C)CCOC ZINC000491812452 398072234 /nfs/dbraw/zinc/07/22/34/398072234.db2.gz HOJYNHBFVLZMRY-GFCCVEGCSA-N 2 2 228.336 -0.119 20 30 BBEDLP C#CC[N@@H+](CC)C[C@H](O)C[NH+](C)CCOC ZINC000491812452 398072231 /nfs/dbraw/zinc/07/22/31/398072231.db2.gz HOJYNHBFVLZMRY-GFCCVEGCSA-N 2 2 228.336 -0.119 20 30 BBEDLP C#CC[NH+](CC)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491812453 398073050 /nfs/dbraw/zinc/07/30/50/398073050.db2.gz HOJYNHBFVLZMRY-LBPRGKRZSA-N 2 2 228.336 -0.119 20 30 BBEDLP C#CC[NH+](CC)C[C@@H](O)C[N@H+](C)CCOC ZINC000491812453 398073049 /nfs/dbraw/zinc/07/30/49/398073049.db2.gz HOJYNHBFVLZMRY-LBPRGKRZSA-N 2 2 228.336 -0.119 20 30 BBEDLP C#CC[N@H+](CC)C[C@@H](O)C[NH+](C)CCOC ZINC000491812453 398073045 /nfs/dbraw/zinc/07/30/45/398073045.db2.gz HOJYNHBFVLZMRY-LBPRGKRZSA-N 2 2 228.336 -0.119 20 30 BBEDLP C#CC[N@@H+](CC)C[C@@H](O)C[NH+](C)CCOC ZINC000491812453 398073044 /nfs/dbraw/zinc/07/30/44/398073044.db2.gz HOJYNHBFVLZMRY-LBPRGKRZSA-N 2 2 228.336 -0.119 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC=C)CC1 ZINC000491817292 388323424 /nfs/dbraw/zinc/32/34/24/388323424.db2.gz OBDUWRXEYVIFMJ-UHFFFAOYSA-N 2 2 235.331 -0.118 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC=C)CC1 ZINC000491817292 388323423 /nfs/dbraw/zinc/32/34/23/388323423.db2.gz OBDUWRXEYVIFMJ-UHFFFAOYSA-N 2 2 235.331 -0.118 20 30 BBEDLP C=CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222938 388633780 /nfs/dbraw/zinc/63/37/80/388633780.db2.gz MJSHOQUDINNMCQ-UHFFFAOYSA-N 2 2 238.335 -0.185 20 30 BBEDLP CC#CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000564466067 384957757 /nfs/dbraw/zinc/95/77/57/384957757.db2.gz YDYFWULJTBCZGH-GFCCVEGCSA-N 2 2 228.336 -0.119 20 30 BBEDLP CC#CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000564466067 384957748 /nfs/dbraw/zinc/95/77/48/384957748.db2.gz YDYFWULJTBCZGH-GFCCVEGCSA-N 2 2 228.336 -0.119 20 30 BBEDLP CC#CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000564466067 384957741 /nfs/dbraw/zinc/95/77/41/384957741.db2.gz YDYFWULJTBCZGH-GFCCVEGCSA-N 2 2 228.336 -0.119 20 30 BBEDLP CC#CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000564466067 384957731 /nfs/dbraw/zinc/95/77/31/384957731.db2.gz YDYFWULJTBCZGH-GFCCVEGCSA-N 2 2 228.336 -0.119 20 30 BBEDLP CC#CC[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000564466068 384956522 /nfs/dbraw/zinc/95/65/22/384956522.db2.gz YDYFWULJTBCZGH-LBPRGKRZSA-N 2 2 228.336 -0.119 20 30 BBEDLP CC#CC[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000564466068 384956514 /nfs/dbraw/zinc/95/65/14/384956514.db2.gz YDYFWULJTBCZGH-LBPRGKRZSA-N 2 2 228.336 -0.119 20 30 BBEDLP CC#CC[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000564466068 384956509 /nfs/dbraw/zinc/95/65/09/384956509.db2.gz YDYFWULJTBCZGH-LBPRGKRZSA-N 2 2 228.336 -0.119 20 30 BBEDLP CC#CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000564466068 384956505 /nfs/dbraw/zinc/95/65/05/384956505.db2.gz YDYFWULJTBCZGH-LBPRGKRZSA-N 2 2 228.336 -0.119 20 30 BBEDLP C[C@@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+](C)C ZINC000565946623 388981116 /nfs/dbraw/zinc/98/11/16/388981116.db2.gz ZMIQPDRSDXNNLC-NWDGAFQWSA-N 2 2 242.367 -0.268 20 30 BBEDLP C[C@@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+](C)C ZINC000565946623 388981113 /nfs/dbraw/zinc/98/11/13/388981113.db2.gz ZMIQPDRSDXNNLC-NWDGAFQWSA-N 2 2 242.367 -0.268 20 30 BBEDLP C[C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+](C)C ZINC000565946624 388980802 /nfs/dbraw/zinc/98/08/02/388980802.db2.gz ZMIQPDRSDXNNLC-RYUDHWBXSA-N 2 2 242.367 -0.268 20 30 BBEDLP C[C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+](C)C ZINC000565946624 388980800 /nfs/dbraw/zinc/98/08/00/388980800.db2.gz ZMIQPDRSDXNNLC-RYUDHWBXSA-N 2 2 242.367 -0.268 20 30 BBEDLP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000567708241 326249188 /nfs/dbraw/zinc/24/91/88/326249188.db2.gz KKVUAJLWBKITEC-NWDGAFQWSA-N 2 2 242.367 -0.268 20 30 BBEDLP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000567708241 326249186 /nfs/dbraw/zinc/24/91/86/326249186.db2.gz KKVUAJLWBKITEC-NWDGAFQWSA-N 2 2 242.367 -0.268 20 30 BBEDLP C[C@@H](C[NH+](C)C)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000567708242 326249123 /nfs/dbraw/zinc/24/91/23/326249123.db2.gz KKVUAJLWBKITEC-RYUDHWBXSA-N 2 2 242.367 -0.268 20 30 BBEDLP C[C@@H](C[NH+](C)C)NC[C@H](O)C[N@H+](C)CCC#N ZINC000567708242 326249122 /nfs/dbraw/zinc/24/91/22/326249122.db2.gz KKVUAJLWBKITEC-RYUDHWBXSA-N 2 2 242.367 -0.268 20 30 BBEDLP CC#CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568371193 326350726 /nfs/dbraw/zinc/35/07/26/326350726.db2.gz MMOFVOBAWFZABX-LLVKDONJSA-N 2 2 238.335 -0.316 20 30 BBEDLP CC#CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568371193 326350724 /nfs/dbraw/zinc/35/07/24/326350724.db2.gz MMOFVOBAWFZABX-LLVKDONJSA-N 2 2 238.335 -0.316 20 30 BBEDLP CC#CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568371194 326350450 /nfs/dbraw/zinc/35/04/50/326350450.db2.gz MMOFVOBAWFZABX-NSHDSACASA-N 2 2 238.335 -0.316 20 30 BBEDLP CC#CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568371194 326350448 /nfs/dbraw/zinc/35/04/48/326350448.db2.gz MMOFVOBAWFZABX-NSHDSACASA-N 2 2 238.335 -0.316 20 30 BBEDLP C=CCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571381051 323143108 /nfs/dbraw/zinc/14/31/08/323143108.db2.gz PBNYWJRWOKPRPV-UHFFFAOYSA-N 2 2 249.318 -0.166 20 30 BBEDLP C[NH+]1CCN(C(=O)CC[NH2+]CCC#N)CC1 ZINC000573438740 364832314 /nfs/dbraw/zinc/83/23/14/364832314.db2.gz KOPUFFMPVRRRAK-UHFFFAOYSA-N 2 2 224.308 -0.346 20 30 BBEDLP C[N@@H+](C[C@H](O)C[NH2+]CC#CCO)C1CC1 ZINC000573490856 364846741 /nfs/dbraw/zinc/84/67/41/364846741.db2.gz QEZJJORDNAEMJW-LLVKDONJSA-N 2 2 212.293 -0.973 20 30 BBEDLP C[N@H+](C[C@H](O)C[NH2+]CC#CCO)C1CC1 ZINC000573490856 364846740 /nfs/dbraw/zinc/84/67/40/364846740.db2.gz QEZJJORDNAEMJW-LLVKDONJSA-N 2 2 212.293 -0.973 20 30 BBEDLP C[N@@H+](C[C@@H](O)C[NH2+]CC#CCO)C1CC1 ZINC000573490857 364846953 /nfs/dbraw/zinc/84/69/53/364846953.db2.gz QEZJJORDNAEMJW-NSHDSACASA-N 2 2 212.293 -0.973 20 30 BBEDLP C[N@H+](C[C@@H](O)C[NH2+]CC#CCO)C1CC1 ZINC000573490857 364846951 /nfs/dbraw/zinc/84/69/51/364846951.db2.gz QEZJJORDNAEMJW-NSHDSACASA-N 2 2 212.293 -0.973 20 30 BBEDLP C=CCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578356094 366537311 /nfs/dbraw/zinc/53/73/11/366537311.db2.gz XDDWLRSYEVLIPA-JTQLQIEISA-N 2 2 227.308 -0.710 20 30 BBEDLP C=CCOCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578356095 366537202 /nfs/dbraw/zinc/53/72/02/366537202.db2.gz XDDWLRSYEVLIPA-SNVBAGLBSA-N 2 2 227.308 -0.710 20 30 BBEDLP C=CCOCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578356095 366537192 /nfs/dbraw/zinc/53/71/92/366537192.db2.gz XDDWLRSYEVLIPA-SNVBAGLBSA-N 2 2 227.308 -0.710 20 30 BBEDLP C[NH+](C)CCN1CC[N@@H+](CCCC#N)CC1=O ZINC000593051561 347852842 /nfs/dbraw/zinc/85/28/42/347852842.db2.gz LDNAPAVRNHTZJV-UHFFFAOYSA-N 2 2 238.335 -0.004 20 30 BBEDLP C[NH+](C)CCN1CC[N@H+](CCCC#N)CC1=O ZINC000593051561 347852838 /nfs/dbraw/zinc/85/28/38/347852838.db2.gz LDNAPAVRNHTZJV-UHFFFAOYSA-N 2 2 238.335 -0.004 20 30 BBEDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015097 347989991 /nfs/dbraw/zinc/98/99/91/347989991.db2.gz FCJBDDPRCIKLQO-NEPJUHHUSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015097 347989988 /nfs/dbraw/zinc/98/99/88/347989988.db2.gz FCJBDDPRCIKLQO-NEPJUHHUSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000594015097 347989984 /nfs/dbraw/zinc/98/99/84/347989984.db2.gz FCJBDDPRCIKLQO-NEPJUHHUSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000594015097 347989982 /nfs/dbraw/zinc/98/99/82/347989982.db2.gz FCJBDDPRCIKLQO-NEPJUHHUSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000594015098 347989830 /nfs/dbraw/zinc/98/98/30/347989830.db2.gz FCJBDDPRCIKLQO-NWDGAFQWSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594015098 347989829 /nfs/dbraw/zinc/98/98/29/347989829.db2.gz FCJBDDPRCIKLQO-NWDGAFQWSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000594015098 347989828 /nfs/dbraw/zinc/98/98/28/347989828.db2.gz FCJBDDPRCIKLQO-NWDGAFQWSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000594015098 347989827 /nfs/dbraw/zinc/98/98/27/347989827.db2.gz FCJBDDPRCIKLQO-NWDGAFQWSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015099 347989836 /nfs/dbraw/zinc/98/98/36/347989836.db2.gz FCJBDDPRCIKLQO-RYUDHWBXSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015099 347989835 /nfs/dbraw/zinc/98/98/35/347989835.db2.gz FCJBDDPRCIKLQO-RYUDHWBXSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000594015099 347989834 /nfs/dbraw/zinc/98/98/34/347989834.db2.gz FCJBDDPRCIKLQO-RYUDHWBXSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000594015099 347989833 /nfs/dbraw/zinc/98/98/33/347989833.db2.gz FCJBDDPRCIKLQO-RYUDHWBXSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000594015100 347989953 /nfs/dbraw/zinc/98/99/53/347989953.db2.gz FCJBDDPRCIKLQO-VXGBXAGGSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594015100 347989951 /nfs/dbraw/zinc/98/99/51/347989951.db2.gz FCJBDDPRCIKLQO-VXGBXAGGSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000594015100 347989948 /nfs/dbraw/zinc/98/99/48/347989948.db2.gz FCJBDDPRCIKLQO-VXGBXAGGSA-N 2 2 241.335 -0.351 20 30 BBEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000594015100 347989946 /nfs/dbraw/zinc/98/99/46/347989946.db2.gz FCJBDDPRCIKLQO-VXGBXAGGSA-N 2 2 241.335 -0.351 20 30 BBEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC#N ZINC000597989348 348851187 /nfs/dbraw/zinc/85/11/87/348851187.db2.gz FCFWANPTXFTTGL-UHFFFAOYSA-N 2 2 226.324 -0.100 20 30 BBEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC#N ZINC000597989348 348851185 /nfs/dbraw/zinc/85/11/85/348851185.db2.gz FCFWANPTXFTTGL-UHFFFAOYSA-N 2 2 226.324 -0.100 20 30 BBEDLP N#CCC[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600758452 344369205 /nfs/dbraw/zinc/36/92/05/344369205.db2.gz ZMVKCGSQEBQEMW-JTQLQIEISA-N 2 2 224.308 -0.171 20 30 BBEDLP N#CCC[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600758452 344369203 /nfs/dbraw/zinc/36/92/03/344369203.db2.gz ZMVKCGSQEBQEMW-JTQLQIEISA-N 2 2 224.308 -0.171 20 30 BBEDLP C[N@H+](Cc1ccc(C#N)o1)C[C@H](O)C[NH3+] ZINC000600767325 369563731 /nfs/dbraw/zinc/56/37/31/369563731.db2.gz ARANAWKBUWIROK-MRVPVSSYSA-N 2 2 209.249 -0.097 20 30 BBEDLP C[N@@H+](Cc1ccc(C#N)o1)C[C@H](O)C[NH3+] ZINC000600767325 369563728 /nfs/dbraw/zinc/56/37/28/369563728.db2.gz ARANAWKBUWIROK-MRVPVSSYSA-N 2 2 209.249 -0.097 20 30 BBEDLP C[N@H+](Cc1ccc(C#N)o1)C[C@@H](O)C[NH3+] ZINC000600767386 369560716 /nfs/dbraw/zinc/56/07/16/369560716.db2.gz ARANAWKBUWIROK-QMMMGPOBSA-N 2 2 209.249 -0.097 20 30 BBEDLP C[N@@H+](Cc1ccc(C#N)o1)C[C@@H](O)C[NH3+] ZINC000600767386 369560713 /nfs/dbraw/zinc/56/07/13/369560713.db2.gz ARANAWKBUWIROK-QMMMGPOBSA-N 2 2 209.249 -0.097 20 30 BBEDLP C[N@@H+](CCCC#N)CC(=O)N1CC[NH+](C)CC1 ZINC000611522558 359388685 /nfs/dbraw/zinc/38/86/85/359388685.db2.gz ILTXNPRJXBDSSH-UHFFFAOYSA-N 2 2 238.335 -0.004 20 30 BBEDLP C[N@H+](CCCC#N)CC(=O)N1CC[NH+](C)CC1 ZINC000611522558 359388682 /nfs/dbraw/zinc/38/86/82/359388682.db2.gz ILTXNPRJXBDSSH-UHFFFAOYSA-N 2 2 238.335 -0.004 20 30 BBEDLP N#CC1(NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000615223975 364644523 /nfs/dbraw/zinc/64/45/23/364644523.db2.gz KYDNPXHQSHRKOS-GHMZBOCLSA-N 2 2 248.330 -0.300 20 30 BBEDLP N#CC1(NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000615223976 364644678 /nfs/dbraw/zinc/64/46/78/364644678.db2.gz KYDNPXHQSHRKOS-PHIMTYICSA-N 2 2 248.330 -0.300 20 30 BBEDLP N#CC1(NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000615223976 364644671 /nfs/dbraw/zinc/64/46/71/364644671.db2.gz KYDNPXHQSHRKOS-PHIMTYICSA-N 2 2 248.330 -0.300 20 30 BBEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000615223977 364644603 /nfs/dbraw/zinc/64/46/03/364644603.db2.gz KYDNPXHQSHRKOS-QWRGUYRKSA-N 2 2 248.330 -0.300 20 30 BBEDLP C=C[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763364 356325754 /nfs/dbraw/zinc/32/57/54/356325754.db2.gz OQRSEMXXGGCBSG-LLVKDONJSA-N 2 2 243.351 -0.467 20 30 BBEDLP C=C[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763364 356325753 /nfs/dbraw/zinc/32/57/53/356325753.db2.gz OQRSEMXXGGCBSG-LLVKDONJSA-N 2 2 243.351 -0.467 20 30 BBEDLP C=C[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763365 356325776 /nfs/dbraw/zinc/32/57/76/356325776.db2.gz OQRSEMXXGGCBSG-NSHDSACASA-N 2 2 243.351 -0.467 20 30 BBEDLP C=C[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763365 356325773 /nfs/dbraw/zinc/32/57/73/356325773.db2.gz OQRSEMXXGGCBSG-NSHDSACASA-N 2 2 243.351 -0.467 20 30 BBEDLP C=CC[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623951679 360442021 /nfs/dbraw/zinc/44/20/21/360442021.db2.gz WDTVPAMDYPPJJE-UHFFFAOYSA-N 2 2 249.322 -0.819 20 30 BBEDLP OCC#CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584213 361469707 /nfs/dbraw/zinc/46/97/07/361469707.db2.gz RNNSSUJZCQSYIN-LLVKDONJSA-N 2 2 212.293 -0.972 20 30 BBEDLP OCC#CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584215 361469863 /nfs/dbraw/zinc/46/98/63/361469863.db2.gz RNNSSUJZCQSYIN-NSHDSACASA-N 2 2 212.293 -0.972 20 30 BBEDLP CC#CC[NH2+]Cc1cn(CC2C[NH2+]C2)nn1 ZINC000630612466 364343635 /nfs/dbraw/zinc/34/36/35/364343635.db2.gz CYKBGMUUCLVYSI-UHFFFAOYSA-N 2 2 219.292 -0.390 20 30 BBEDLP CC#CC[NH2+]Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630617327 364352418 /nfs/dbraw/zinc/35/24/18/364352418.db2.gz SPZFYNSNBOGJEV-GFCCVEGCSA-N 2 2 249.318 -0.621 20 30 BBEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630617328 364352335 /nfs/dbraw/zinc/35/23/35/364352335.db2.gz SPZFYNSNBOGJEV-LBPRGKRZSA-N 2 2 249.318 -0.621 20 30 BBEDLP C=CCCOCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646833792 388564351 /nfs/dbraw/zinc/56/43/51/388564351.db2.gz ZAUBXTGUGIARRN-LLVKDONJSA-N 2 2 241.335 -0.320 20 30 BBEDLP C=CCCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646833793 388564709 /nfs/dbraw/zinc/56/47/09/388564709.db2.gz ZAUBXTGUGIARRN-NSHDSACASA-N 2 2 241.335 -0.320 20 30 BBEDLP C=CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688082 398036468 /nfs/dbraw/zinc/03/64/68/398036468.db2.gz QKTJMZJIUNXTNS-UHFFFAOYSA-N 2 2 211.309 -0.122 20 30 BBEDLP C=CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688082 398036465 /nfs/dbraw/zinc/03/64/65/398036465.db2.gz QKTJMZJIUNXTNS-UHFFFAOYSA-N 2 2 211.309 -0.122 20 30 BBEDLP CC#CC[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467704 411279653 /nfs/dbraw/zinc/27/96/53/411279653.db2.gz FKHYXZOODPWRAE-LLVKDONJSA-N 2 2 219.292 -0.075 20 30 BBEDLP CC#CC[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467722 411279622 /nfs/dbraw/zinc/27/96/22/411279622.db2.gz FKHYXZOODPWRAE-NSHDSACASA-N 2 2 219.292 -0.075 20 30 BBEDLP C=CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659562582 411436003 /nfs/dbraw/zinc/43/60/03/411436003.db2.gz JGNJNFHKEOBXMC-JTQLQIEISA-N 2 2 226.324 -0.153 20 30 BBEDLP C=CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659562582 411436000 /nfs/dbraw/zinc/43/60/00/411436000.db2.gz JGNJNFHKEOBXMC-JTQLQIEISA-N 2 2 226.324 -0.153 20 30 BBEDLP C=CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659562583 411436210 /nfs/dbraw/zinc/43/62/10/411436210.db2.gz JGNJNFHKEOBXMC-SNVBAGLBSA-N 2 2 226.324 -0.153 20 30 BBEDLP C=CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659562583 411436209 /nfs/dbraw/zinc/43/62/09/411436209.db2.gz JGNJNFHKEOBXMC-SNVBAGLBSA-N 2 2 226.324 -0.153 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000662165945 412014309 /nfs/dbraw/zinc/01/43/09/412014309.db2.gz QNJVOJDZWRZPHD-GHMZBOCLSA-N 2 2 214.309 -0.420 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000662165946 412014408 /nfs/dbraw/zinc/01/44/08/412014408.db2.gz QNJVOJDZWRZPHD-MNOVXSKESA-N 2 2 214.309 -0.420 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000662168316 412016034 /nfs/dbraw/zinc/01/60/34/412016034.db2.gz BBABIWHDTYSART-KOLCDFICSA-N 2 2 214.309 -0.422 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000662168316 412016029 /nfs/dbraw/zinc/01/60/29/412016029.db2.gz BBABIWHDTYSART-KOLCDFICSA-N 2 2 214.309 -0.422 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000662168317 412015556 /nfs/dbraw/zinc/01/55/56/412015556.db2.gz BBABIWHDTYSART-MWLCHTKSSA-N 2 2 214.309 -0.422 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000662168317 412015554 /nfs/dbraw/zinc/01/55/54/412015554.db2.gz BBABIWHDTYSART-MWLCHTKSSA-N 2 2 214.309 -0.422 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000662168366 411371616 /nfs/dbraw/zinc/37/16/16/411371616.db2.gz CTAFIJIJDSRVIC-GHMZBOCLSA-N 2 2 232.324 -0.938 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000662168366 411371613 /nfs/dbraw/zinc/37/16/13/411371613.db2.gz CTAFIJIJDSRVIC-GHMZBOCLSA-N 2 2 232.324 -0.938 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000662168367 411372539 /nfs/dbraw/zinc/37/25/39/411372539.db2.gz CTAFIJIJDSRVIC-MNOVXSKESA-N 2 2 232.324 -0.938 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000662168367 411372535 /nfs/dbraw/zinc/37/25/35/411372535.db2.gz CTAFIJIJDSRVIC-MNOVXSKESA-N 2 2 232.324 -0.938 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000662168465 411371444 /nfs/dbraw/zinc/37/14/44/411371444.db2.gz HLXUGQYIKTXWAL-GHMZBOCLSA-N 2 2 216.325 -0.176 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000662168465 411371439 /nfs/dbraw/zinc/37/14/39/411371439.db2.gz HLXUGQYIKTXWAL-GHMZBOCLSA-N 2 2 216.325 -0.176 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000662168466 411371588 /nfs/dbraw/zinc/37/15/88/411371588.db2.gz HLXUGQYIKTXWAL-MNOVXSKESA-N 2 2 216.325 -0.176 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000662168466 411371585 /nfs/dbraw/zinc/37/15/85/411371585.db2.gz HLXUGQYIKTXWAL-MNOVXSKESA-N 2 2 216.325 -0.176 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000662168790 411372199 /nfs/dbraw/zinc/37/21/99/411372199.db2.gz VATILCIADJNALB-NXEZZACHSA-N 2 2 202.298 -0.565 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000662168790 411372196 /nfs/dbraw/zinc/37/21/96/411372196.db2.gz VATILCIADJNALB-NXEZZACHSA-N 2 2 202.298 -0.565 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000662168791 411371855 /nfs/dbraw/zinc/37/18/55/411371855.db2.gz VATILCIADJNALB-ZJUUUORDSA-N 2 2 202.298 -0.565 20 30 BBEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000662168791 411371851 /nfs/dbraw/zinc/37/18/51/411371851.db2.gz VATILCIADJNALB-ZJUUUORDSA-N 2 2 202.298 -0.565 20 30 BBEDLP C=CCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288831 487539807 /nfs/dbraw/zinc/53/98/07/487539807.db2.gz LOPBFXTZWINGIV-JTQLQIEISA-N 2 2 202.298 -0.434 20 30 BBEDLP C=CCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288831 487539802 /nfs/dbraw/zinc/53/98/02/487539802.db2.gz LOPBFXTZWINGIV-JTQLQIEISA-N 2 2 202.298 -0.434 20 30 BBEDLP C=CCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288832 487539038 /nfs/dbraw/zinc/53/90/38/487539038.db2.gz LOPBFXTZWINGIV-SNVBAGLBSA-N 2 2 202.298 -0.434 20 30 BBEDLP C=CCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288832 487539035 /nfs/dbraw/zinc/53/90/35/487539035.db2.gz LOPBFXTZWINGIV-SNVBAGLBSA-N 2 2 202.298 -0.434 20 30 BBEDLP C=CCOCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662665025 412263161 /nfs/dbraw/zinc/26/31/61/412263161.db2.gz ZEAWGOUBPTZHNS-LLVKDONJSA-N 2 2 243.351 -0.026 20 30 BBEDLP C=CCOCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662665026 409821542 /nfs/dbraw/zinc/82/15/42/409821542.db2.gz ZEAWGOUBPTZHNS-NSHDSACASA-N 2 2 243.351 -0.026 20 30 BBEDLP C=CCOCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662713752 412280072 /nfs/dbraw/zinc/28/00/72/412280072.db2.gz YJZAHEQSYRXFBV-JTQLQIEISA-N 2 2 229.324 -0.416 20 30 BBEDLP C=CCOCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662713759 412279787 /nfs/dbraw/zinc/27/97/87/412279787.db2.gz YJZAHEQSYRXFBV-SNVBAGLBSA-N 2 2 229.324 -0.416 20 30 BBEDLP C#CC1(O)CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000708142867 712183123 /nfs/dbraw/zinc/18/31/23/712183123.db2.gz PPRGDMACWRZFIB-GFCCVEGCSA-N 2 2 240.347 -0.241 20 30 BBEDLP C#CC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000708142869 712183021 /nfs/dbraw/zinc/18/30/21/712183021.db2.gz PPRGDMACWRZFIB-LBPRGKRZSA-N 2 2 240.347 -0.241 20 30 BBEDLP C=CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000721881217 710690884 /nfs/dbraw/zinc/69/08/84/710690884.db2.gz KUJAPAQWRAWAER-UHFFFAOYSA-N 2 2 226.324 -0.105 20 30 BBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000730094709 584123116 /nfs/dbraw/zinc/12/31/16/584123116.db2.gz QDCTUBQSGPMWCY-LBPRGKRZSA-N 2 2 235.331 -0.142 20 30 BBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000730094709 584123114 /nfs/dbraw/zinc/12/31/14/584123114.db2.gz QDCTUBQSGPMWCY-LBPRGKRZSA-N 2 2 235.331 -0.142 20 30 BBEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000733614328 584951276 /nfs/dbraw/zinc/95/12/76/584951276.db2.gz LXLDVWXVAWBQRY-LLVKDONJSA-N 2 2 238.335 -0.100 20 30 BBEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000733614328 584951275 /nfs/dbraw/zinc/95/12/75/584951275.db2.gz LXLDVWXVAWBQRY-LLVKDONJSA-N 2 2 238.335 -0.100 20 30 BBEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000733614329 584951402 /nfs/dbraw/zinc/95/14/02/584951402.db2.gz LXLDVWXVAWBQRY-NSHDSACASA-N 2 2 238.335 -0.100 20 30 BBEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000733614329 584951401 /nfs/dbraw/zinc/95/14/01/584951401.db2.gz LXLDVWXVAWBQRY-NSHDSACASA-N 2 2 238.335 -0.100 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000750196155 585212257 /nfs/dbraw/zinc/21/22/57/585212257.db2.gz SAKCIUSEZXRFQQ-NSHDSACASA-N 2 2 223.320 -0.286 20 30 BBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000752295485 585244624 /nfs/dbraw/zinc/24/46/24/585244624.db2.gz KMGJUXVBSIOTDH-LBPRGKRZSA-N 2 2 235.331 -0.094 20 30 BBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000752295485 585244623 /nfs/dbraw/zinc/24/46/23/585244623.db2.gz KMGJUXVBSIOTDH-LBPRGKRZSA-N 2 2 235.331 -0.094 20 30 BBEDLP C#CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000754024916 585275363 /nfs/dbraw/zinc/27/53/63/585275363.db2.gz QDWBPJWCLKILOO-LLVKDONJSA-N 2 2 235.331 -0.096 20 30 BBEDLP C#CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000754024916 585275362 /nfs/dbraw/zinc/27/53/62/585275362.db2.gz QDWBPJWCLKILOO-LLVKDONJSA-N 2 2 235.331 -0.096 20 30 BBEDLP C#CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000754025351 585275703 /nfs/dbraw/zinc/27/57/03/585275703.db2.gz QDWBPJWCLKILOO-NSHDSACASA-N 2 2 235.331 -0.096 20 30 BBEDLP C#CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000754025351 585275702 /nfs/dbraw/zinc/27/57/02/585275702.db2.gz QDWBPJWCLKILOO-NSHDSACASA-N 2 2 235.331 -0.096 20 30 BBEDLP CN(C)c1cc[nH+]cc1C=[NH+]NCC(N)=O ZINC000758896913 585361716 /nfs/dbraw/zinc/36/17/16/585361716.db2.gz RISJTRGIOCKKBU-UHFFFAOYSA-N 2 2 221.264 -0.444 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000761092582 584909688 /nfs/dbraw/zinc/90/96/88/584909688.db2.gz MPJKEIDOOGKJJB-OLZOCXBDSA-N 2 2 247.342 -0.142 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000761092582 584909687 /nfs/dbraw/zinc/90/96/87/584909687.db2.gz MPJKEIDOOGKJJB-OLZOCXBDSA-N 2 2 247.342 -0.142 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3C[C@H]32)CC1 ZINC000761092598 584909647 /nfs/dbraw/zinc/90/96/47/584909647.db2.gz MPJKEIDOOGKJJB-QWHCGFSZSA-N 2 2 247.342 -0.142 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]32)CC1 ZINC000761092598 584909646 /nfs/dbraw/zinc/90/96/46/584909646.db2.gz MPJKEIDOOGKJJB-QWHCGFSZSA-N 2 2 247.342 -0.142 20 30 BBEDLP C=C(C[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000763904931 585456739 /nfs/dbraw/zinc/45/67/39/585456739.db2.gz VYVVCODAKTXGAG-UHFFFAOYSA-N 2 2 241.335 -0.447 20 30 BBEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC000764193238 585461212 /nfs/dbraw/zinc/46/12/12/585461212.db2.gz GKXFPSLEZCCPFA-UHFFFAOYSA-N 2 2 241.335 -0.759 20 30 BBEDLP C#CCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000774742969 585664890 /nfs/dbraw/zinc/66/48/90/585664890.db2.gz CZXNWKKAVQCBIK-UHFFFAOYSA-N 2 2 234.303 -0.046 20 30 BBEDLP C#CCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000774742969 585664889 /nfs/dbraw/zinc/66/48/89/585664889.db2.gz CZXNWKKAVQCBIK-UHFFFAOYSA-N 2 2 234.303 -0.046 20 30 BBEDLP CN(C)c1cc[nH+]cc1C=[NH+]OCC(N)=O ZINC000776187834 585692336 /nfs/dbraw/zinc/69/23/36/585692336.db2.gz ZZEAWEOSVOOPDE-UHFFFAOYSA-N 2 2 222.248 -0.017 20 30 BBEDLP C[C@@H]1CNC(NN=C2C[N@@H+](C)C[C@H]2C)=[NH+]1 ZINC000779794257 585764410 /nfs/dbraw/zinc/76/44/10/585764410.db2.gz FPNHCBDPCXMCRB-HTQZYQBOSA-N 2 2 209.297 -0.139 20 30 BBEDLP C[C@@H]1CNC(NN=C2C[N@H+](C)C[C@H]2C)=[NH+]1 ZINC000779794257 585764409 /nfs/dbraw/zinc/76/44/09/585764409.db2.gz FPNHCBDPCXMCRB-HTQZYQBOSA-N 2 2 209.297 -0.139 20 30 BBEDLP C[C@@H]1CNC(NN=C2C[N@@H+](C)C[C@@H]2C)=[NH+]1 ZINC000779794258 585764522 /nfs/dbraw/zinc/76/45/22/585764522.db2.gz FPNHCBDPCXMCRB-JGVFFNPUSA-N 2 2 209.297 -0.139 20 30 BBEDLP C[C@@H]1CNC(NN=C2C[N@H+](C)C[C@@H]2C)=[NH+]1 ZINC000779794258 585764521 /nfs/dbraw/zinc/76/45/21/585764521.db2.gz FPNHCBDPCXMCRB-JGVFFNPUSA-N 2 2 209.297 -0.139 20 30 BBEDLP C[C@@H]1C[N@H+](C)CC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779794259 585764323 /nfs/dbraw/zinc/76/43/23/585764323.db2.gz FPNHCBDPCXMCRB-SFYZADRCSA-N 2 2 209.297 -0.139 20 30 BBEDLP C[C@@H]1C[N@@H+](C)CC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779794259 585764322 /nfs/dbraw/zinc/76/43/22/585764322.db2.gz FPNHCBDPCXMCRB-SFYZADRCSA-N 2 2 209.297 -0.139 20 30 BBEDLP C[C@H]1CNC(NN=C2C[N@@H+](C)C[C@@H]2C)=[NH+]1 ZINC000779794260 585764484 /nfs/dbraw/zinc/76/44/84/585764484.db2.gz FPNHCBDPCXMCRB-YUMQZZPRSA-N 2 2 209.297 -0.139 20 30 BBEDLP C[C@H]1CNC(NN=C2C[N@H+](C)C[C@@H]2C)=[NH+]1 ZINC000779794260 585764483 /nfs/dbraw/zinc/76/44/83/585764483.db2.gz FPNHCBDPCXMCRB-YUMQZZPRSA-N 2 2 209.297 -0.139 20 30 BBEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809576276 585219337 /nfs/dbraw/zinc/21/93/37/585219337.db2.gz KLLQWZZFNRFGNN-LLVKDONJSA-N 2 2 249.318 -0.183 20 30 BBEDLP CN(C)c1ncc(C=[NH+]NC(N)=[NH2+])n1C ZINC000811638074 586562263 /nfs/dbraw/zinc/56/22/63/586562263.db2.gz GDTRYTYOSCTQFU-UHFFFAOYSA-N 2 2 209.257 -0.697 20 30 BBEDLP CN(C)c1[nH+]cc(C=NNC(N)=[NH2+])n1C ZINC000811638074 586562262 /nfs/dbraw/zinc/56/22/62/586562262.db2.gz GDTRYTYOSCTQFU-UHFFFAOYSA-N 2 2 209.257 -0.697 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000819021149 586923982 /nfs/dbraw/zinc/92/39/82/586923982.db2.gz LPJLVHZYGJHBJA-LLVKDONJSA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000819021149 586923979 /nfs/dbraw/zinc/92/39/79/586923979.db2.gz LPJLVHZYGJHBJA-LLVKDONJSA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000819021150 586924480 /nfs/dbraw/zinc/92/44/80/586924480.db2.gz LPJLVHZYGJHBJA-NSHDSACASA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCNC(=O)CC[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000819021150 586924479 /nfs/dbraw/zinc/92/44/79/586924479.db2.gz LPJLVHZYGJHBJA-NSHDSACASA-N 2 2 223.320 -0.190 20 30 BBEDLP C#CCOCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000819231295 586941035 /nfs/dbraw/zinc/94/10/35/586941035.db2.gz SQDOVZYJDRNJIR-GFCCVEGCSA-N 2 2 226.320 -0.319 20 30 BBEDLP C#CCOCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000819231295 586941034 /nfs/dbraw/zinc/94/10/34/586941034.db2.gz SQDOVZYJDRNJIR-GFCCVEGCSA-N 2 2 226.320 -0.319 20 30 BBEDLP C#CCOCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000819231296 586941388 /nfs/dbraw/zinc/94/13/88/586941388.db2.gz SQDOVZYJDRNJIR-LBPRGKRZSA-N 2 2 226.320 -0.319 20 30 BBEDLP C#CCOCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000819231296 586941386 /nfs/dbraw/zinc/94/13/86/586941386.db2.gz SQDOVZYJDRNJIR-LBPRGKRZSA-N 2 2 226.320 -0.319 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C(=C)C[NH+](C)C)CC1 ZINC000825287752 587312703 /nfs/dbraw/zinc/31/27/03/587312703.db2.gz VUKPVQKUFGOPEO-UHFFFAOYSA-N 2 2 235.331 -0.118 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000827527696 587386266 /nfs/dbraw/zinc/38/62/66/587386266.db2.gz ZWASVWLPAHMPIU-UHFFFAOYSA-N 2 2 235.331 -0.142 20 30 BBEDLP C#CCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000841886717 587981311 /nfs/dbraw/zinc/98/13/11/587981311.db2.gz RECXDXLHRBUPGF-LLVKDONJSA-N 2 2 238.335 -0.316 20 30 BBEDLP C#CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000841886719 587981081 /nfs/dbraw/zinc/98/10/81/587981081.db2.gz RECXDXLHRBUPGF-NSHDSACASA-N 2 2 238.335 -0.316 20 30 BBEDLP C#CCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000841886719 587981079 /nfs/dbraw/zinc/98/10/79/587981079.db2.gz RECXDXLHRBUPGF-NSHDSACASA-N 2 2 238.335 -0.316 20 30 BBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000844194142 588172827 /nfs/dbraw/zinc/17/28/27/588172827.db2.gz ADCKXDKTBDDJKI-NXEZZACHSA-N 2 2 233.275 -0.499 20 30 BBEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000844194143 588172855 /nfs/dbraw/zinc/17/28/55/588172855.db2.gz ADCKXDKTBDDJKI-UWVGGRQHSA-N 2 2 233.275 -0.499 20 30 BBEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000844194144 588172862 /nfs/dbraw/zinc/17/28/62/588172862.db2.gz ADCKXDKTBDDJKI-VHSXEESVSA-N 2 2 233.275 -0.499 20 30 BBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000844194145 588172655 /nfs/dbraw/zinc/17/26/55/588172655.db2.gz ADCKXDKTBDDJKI-ZJUUUORDSA-N 2 2 233.275 -0.499 20 30 BBEDLP C#CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844379455 645322132 /nfs/dbraw/zinc/32/21/32/645322132.db2.gz DRTDERGMIPUYJM-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP C#CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844379455 645322126 /nfs/dbraw/zinc/32/21/26/645322126.db2.gz DRTDERGMIPUYJM-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846834778 588291926 /nfs/dbraw/zinc/29/19/26/588291926.db2.gz FOQUSPZGZRFFNH-LLVKDONJSA-N 2 2 246.314 -0.041 20 30 BBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846834778 588291925 /nfs/dbraw/zinc/29/19/25/588291925.db2.gz FOQUSPZGZRFFNH-LLVKDONJSA-N 2 2 246.314 -0.041 20 30 BBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846834780 588291989 /nfs/dbraw/zinc/29/19/89/588291989.db2.gz FOQUSPZGZRFFNH-NSHDSACASA-N 2 2 246.314 -0.041 20 30 BBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846834780 588291988 /nfs/dbraw/zinc/29/19/88/588291988.db2.gz FOQUSPZGZRFFNH-NSHDSACASA-N 2 2 246.314 -0.041 20 30 BBEDLP C#CCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846877129 588295059 /nfs/dbraw/zinc/29/50/59/588295059.db2.gz DIVLURCJJTYKOG-UHFFFAOYSA-N 2 2 247.302 -0.719 20 30 BBEDLP CNC(NCC[N@H+]1CCCOCC1)=[NH+]C ZINC000849021094 588438806 /nfs/dbraw/zinc/43/88/06/588438806.db2.gz NXXORQOSLJCJOI-UHFFFAOYSA-N 2 2 214.313 -0.497 20 30 BBEDLP CNC(NCC[N@@H+]1CCCOCC1)=[NH+]C ZINC000849021094 588438805 /nfs/dbraw/zinc/43/88/05/588438805.db2.gz NXXORQOSLJCJOI-UHFFFAOYSA-N 2 2 214.313 -0.497 20 30 BBEDLP CNC(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)=[NH+]C ZINC000849037611 588446106 /nfs/dbraw/zinc/44/61/06/588446106.db2.gz RYNCHJXHOSFDES-AOOOYVTPSA-N 2 2 226.324 -0.356 20 30 BBEDLP CNC(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)=[NH+]C ZINC000849037611 588446105 /nfs/dbraw/zinc/44/61/05/588446105.db2.gz RYNCHJXHOSFDES-AOOOYVTPSA-N 2 2 226.324 -0.356 20 30 BBEDLP CNC(NCC[N@H+]1C[C@H](C)OC[C@@H]1C)=[NH+]C ZINC000849215044 588462021 /nfs/dbraw/zinc/46/20/21/588462021.db2.gz KHFZLFNDDJMVSW-UWVGGRQHSA-N 2 2 228.340 -0.110 20 30 BBEDLP CNC(NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)=[NH+]C ZINC000849215044 588462019 /nfs/dbraw/zinc/46/20/19/588462019.db2.gz KHFZLFNDDJMVSW-UWVGGRQHSA-N 2 2 228.340 -0.110 20 30 BBEDLP CNC(NCC[N@H+]1C[C@H](C)OC[C@H]1C)=[NH+]C ZINC000849215045 588461830 /nfs/dbraw/zinc/46/18/30/588461830.db2.gz KHFZLFNDDJMVSW-ZJUUUORDSA-N 2 2 228.340 -0.110 20 30 BBEDLP CNC(NCC[N@@H+]1C[C@H](C)OC[C@H]1C)=[NH+]C ZINC000849215045 588461829 /nfs/dbraw/zinc/46/18/29/588461829.db2.gz KHFZLFNDDJMVSW-ZJUUUORDSA-N 2 2 228.340 -0.110 20 30 BBEDLP C#CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000849225871 588463239 /nfs/dbraw/zinc/46/32/39/588463239.db2.gz FLKSMYJWDZTRBV-UHFFFAOYSA-N 2 2 240.351 -0.198 20 30 BBEDLP C#CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849225871 588463238 /nfs/dbraw/zinc/46/32/38/588463238.db2.gz FLKSMYJWDZTRBV-UHFFFAOYSA-N 2 2 240.351 -0.198 20 30 BBEDLP C#CCNC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000852066143 588658764 /nfs/dbraw/zinc/65/87/64/588658764.db2.gz OJBJVEJFQCXLSZ-UHFFFAOYSA-N 2 2 232.287 -0.162 20 30 BBEDLP C#CCNC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000852066143 588658763 /nfs/dbraw/zinc/65/87/63/588658763.db2.gz OJBJVEJFQCXLSZ-UHFFFAOYSA-N 2 2 232.287 -0.162 20 30 BBEDLP Cc1[nH+]cc(C=NNC2=[NH+]C[C@@H](C)N2)n1C ZINC000853329958 588733702 /nfs/dbraw/zinc/73/37/02/588733702.db2.gz HPLAPIJIERICOX-SSDOTTSWSA-N 2 2 220.280 0.000 20 30 BBEDLP Cc1[nH+]cc(C=NNC2=[NH+]C[C@H](C)N2)n1C ZINC000853329959 588733685 /nfs/dbraw/zinc/73/36/85/588733685.db2.gz HPLAPIJIERICOX-ZETCQYMHSA-N 2 2 220.280 0.000 20 30 BBEDLP Cc1[nH+]cc(C=NNC2=[NH+]CCN2)n1C ZINC000853357746 588737921 /nfs/dbraw/zinc/73/79/21/588737921.db2.gz KNJJJAKGCPVHDY-UHFFFAOYSA-N 2 2 206.253 -0.389 20 30 BBEDLP C(=NNC1=[NH+]CCN1)c1c[nH+]c2n1CCC2 ZINC000853357999 588738099 /nfs/dbraw/zinc/73/80/99/588738099.db2.gz QZGGLHAULBFDRT-UHFFFAOYSA-N 2 2 218.264 -0.288 20 30 BBEDLP C=C(CO)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414400 588831968 /nfs/dbraw/zinc/83/19/68/588831968.db2.gz CTKLOGMVYGAGHD-UHFFFAOYSA-N 2 2 243.351 -0.465 20 30 BBEDLP C=C(CO)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414400 588831967 /nfs/dbraw/zinc/83/19/67/588831967.db2.gz CTKLOGMVYGAGHD-UHFFFAOYSA-N 2 2 243.351 -0.465 20 30 BBEDLP CON=CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415186 588832087 /nfs/dbraw/zinc/83/20/87/588832087.db2.gz TVWNKGZQYJJHRX-UHFFFAOYSA-N 2 2 244.339 -0.382 20 30 BBEDLP CON=CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415186 588832086 /nfs/dbraw/zinc/83/20/86/588832086.db2.gz TVWNKGZQYJJHRX-UHFFFAOYSA-N 2 2 244.339 -0.382 20 30 BBEDLP C#CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416600 588832071 /nfs/dbraw/zinc/83/20/71/588832071.db2.gz PEEYUOPGZDKUKG-UHFFFAOYSA-N 2 2 211.309 -0.381 20 30 BBEDLP C#CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416600 588832070 /nfs/dbraw/zinc/83/20/70/588832070.db2.gz PEEYUOPGZDKUKG-UHFFFAOYSA-N 2 2 211.309 -0.381 20 30 BBEDLP C#CCC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000858367419 588948692 /nfs/dbraw/zinc/94/86/92/588948692.db2.gz OUKMXVXJXQGLIG-UHFFFAOYSA-N 2 2 247.306 -0.819 20 30 BBEDLP C#CCNC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859306430 589029474 /nfs/dbraw/zinc/02/94/74/589029474.db2.gz WLHUUUFZHVGXJU-UHFFFAOYSA-N 2 2 232.287 -0.093 20 30 BBEDLP C#CCNC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859306430 589029472 /nfs/dbraw/zinc/02/94/72/589029472.db2.gz WLHUUUFZHVGXJU-UHFFFAOYSA-N 2 2 232.287 -0.093 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000859357072 589033679 /nfs/dbraw/zinc/03/36/79/589033679.db2.gz HZAGVHDBSNFFEB-UHFFFAOYSA-N 2 2 246.314 -0.031 20 30 BBEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862969958 589249924 /nfs/dbraw/zinc/24/99/24/589249924.db2.gz RAAJCGJDIFUHBO-LLVKDONJSA-N 2 2 241.335 -0.449 20 30 BBEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862969958 589249923 /nfs/dbraw/zinc/24/99/23/589249923.db2.gz RAAJCGJDIFUHBO-LLVKDONJSA-N 2 2 241.335 -0.449 20 30 BBEDLP C=C(C[NH+](C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000862969959 589250188 /nfs/dbraw/zinc/25/01/88/589250188.db2.gz RAAJCGJDIFUHBO-NSHDSACASA-N 2 2 241.335 -0.449 20 30 BBEDLP C=C(C[NH+](C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862969959 589250186 /nfs/dbraw/zinc/25/01/86/589250186.db2.gz RAAJCGJDIFUHBO-NSHDSACASA-N 2 2 241.335 -0.449 20 30 BBEDLP C#CCC[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000865506231 589442373 /nfs/dbraw/zinc/44/23/73/589442373.db2.gz YEOHYJDJYHSPJY-UHFFFAOYSA-N 2 2 246.318 -0.092 20 30 BBEDLP CC[C@H]1COCC[N@H+]1CCNC(NC)=[NH+]C ZINC000871603510 589773979 /nfs/dbraw/zinc/77/39/79/589773979.db2.gz WIQUWQZECNQFNT-JTQLQIEISA-N 2 2 228.340 -0.108 20 30 BBEDLP CC[C@H]1COCC[N@@H+]1CCNC(NC)=[NH+]C ZINC000871603510 589773976 /nfs/dbraw/zinc/77/39/76/589773976.db2.gz WIQUWQZECNQFNT-JTQLQIEISA-N 2 2 228.340 -0.108 20 30 BBEDLP CC[C@@H]1COCC[N@H+]1CCNC(NC)=[NH+]C ZINC000871603511 589774415 /nfs/dbraw/zinc/77/44/15/589774415.db2.gz WIQUWQZECNQFNT-SNVBAGLBSA-N 2 2 228.340 -0.108 20 30 BBEDLP CC[C@@H]1COCC[N@@H+]1CCNC(NC)=[NH+]C ZINC000871603511 589774414 /nfs/dbraw/zinc/77/44/14/589774414.db2.gz WIQUWQZECNQFNT-SNVBAGLBSA-N 2 2 228.340 -0.108 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000874467631 590113934 /nfs/dbraw/zinc/11/39/34/590113934.db2.gz SAKCIUSEZXRFQQ-LLVKDONJSA-N 2 2 223.320 -0.286 20 30 BBEDLP CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[nH+]1 ZINC000876802555 590243768 /nfs/dbraw/zinc/24/37/68/590243768.db2.gz QHQTUYFQQUBXGY-PSASIEDQSA-N 2 2 247.302 -0.258 20 30 BBEDLP CCc1c[nH]c(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)[nH+]1 ZINC000876802556 590244083 /nfs/dbraw/zinc/24/40/83/590244083.db2.gz QHQTUYFQQUBXGY-SCZZXKLOSA-N 2 2 247.302 -0.258 20 30 BBEDLP CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[nH+]1 ZINC000876802557 590243882 /nfs/dbraw/zinc/24/38/82/590243882.db2.gz QHQTUYFQQUBXGY-WCBMZHEXSA-N 2 2 247.302 -0.258 20 30 BBEDLP CCc1c[nH]c(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)[nH+]1 ZINC000876802558 590244043 /nfs/dbraw/zinc/24/40/43/590244043.db2.gz QHQTUYFQQUBXGY-WPRPVWTQSA-N 2 2 247.302 -0.258 20 30 BBEDLP C#CC[NH+](CC#C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878153589 590507592 /nfs/dbraw/zinc/50/75/92/590507592.db2.gz VOHSQLXABFPQHY-UHFFFAOYSA-N 2 2 247.342 -0.235 20 30 BBEDLP C#CC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878501694 590581062 /nfs/dbraw/zinc/58/10/62/590581062.db2.gz SFPQDMFFXQOCPR-UHFFFAOYSA-N 2 2 223.320 -0.238 20 30 BBEDLP C#CC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878501694 590581060 /nfs/dbraw/zinc/58/10/60/590581060.db2.gz SFPQDMFFXQOCPR-UHFFFAOYSA-N 2 2 223.320 -0.238 20 30 BBEDLP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567405 590805559 /nfs/dbraw/zinc/80/55/59/590805559.db2.gz PWILTEJLJPXXRI-NEPJUHHUSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567405 590805554 /nfs/dbraw/zinc/80/55/54/590805554.db2.gz PWILTEJLJPXXRI-NEPJUHHUSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567405 590805550 /nfs/dbraw/zinc/80/55/50/590805550.db2.gz PWILTEJLJPXXRI-NEPJUHHUSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567405 590805545 /nfs/dbraw/zinc/80/55/45/590805545.db2.gz PWILTEJLJPXXRI-NEPJUHHUSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567406 590806381 /nfs/dbraw/zinc/80/63/81/590806381.db2.gz PWILTEJLJPXXRI-NWDGAFQWSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567406 590806378 /nfs/dbraw/zinc/80/63/78/590806378.db2.gz PWILTEJLJPXXRI-NWDGAFQWSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567406 590806376 /nfs/dbraw/zinc/80/63/76/590806376.db2.gz PWILTEJLJPXXRI-NWDGAFQWSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567406 590806372 /nfs/dbraw/zinc/80/63/72/590806372.db2.gz PWILTEJLJPXXRI-NWDGAFQWSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567407 590806210 /nfs/dbraw/zinc/80/62/10/590806210.db2.gz PWILTEJLJPXXRI-RYUDHWBXSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567407 590806207 /nfs/dbraw/zinc/80/62/07/590806207.db2.gz PWILTEJLJPXXRI-RYUDHWBXSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567407 590806205 /nfs/dbraw/zinc/80/62/05/590806205.db2.gz PWILTEJLJPXXRI-RYUDHWBXSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567407 590806202 /nfs/dbraw/zinc/80/62/02/590806202.db2.gz PWILTEJLJPXXRI-RYUDHWBXSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567408 590807386 /nfs/dbraw/zinc/80/73/86/590807386.db2.gz PWILTEJLJPXXRI-VXGBXAGGSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567408 590807382 /nfs/dbraw/zinc/80/73/82/590807382.db2.gz PWILTEJLJPXXRI-VXGBXAGGSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567408 590807380 /nfs/dbraw/zinc/80/73/80/590807380.db2.gz PWILTEJLJPXXRI-VXGBXAGGSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567408 590807377 /nfs/dbraw/zinc/80/73/77/590807377.db2.gz PWILTEJLJPXXRI-VXGBXAGGSA-N 2 2 235.331 -0.238 20 30 BBEDLP OC[C@@H]1C=CC[NH+]1CC#CC[N@@H+]1CC=C[C@H]1CO ZINC000880488306 591062886 /nfs/dbraw/zinc/06/28/86/591062886.db2.gz BXAJLMYNHMJWMD-KBPBESRZSA-N 2 2 248.326 -0.545 20 30 BBEDLP OC[C@@H]1C=CC[NH+]1CC#CC[N@H+]1CC=C[C@H]1CO ZINC000880488306 591062881 /nfs/dbraw/zinc/06/28/81/591062881.db2.gz BXAJLMYNHMJWMD-KBPBESRZSA-N 2 2 248.326 -0.545 20 30 BBEDLP OC[C@H]1C=CC[NH+]1CC#CC[N@H+]1CC=C[C@H]1CO ZINC000880488307 591062797 /nfs/dbraw/zinc/06/27/97/591062797.db2.gz BXAJLMYNHMJWMD-OKILXGFUSA-N 2 2 248.326 -0.545 20 30 BBEDLP OC[C@H]1C=CC[NH+]1CC#CC[N@@H+]1CC=C[C@H]1CO ZINC000880488307 591062792 /nfs/dbraw/zinc/06/27/92/591062792.db2.gz BXAJLMYNHMJWMD-OKILXGFUSA-N 2 2 248.326 -0.545 20 30 BBEDLP OC[C@H]1C=CC[N@H+]1CC#CC[NH+]1CC=C[C@H]1CO ZINC000880488307 591062787 /nfs/dbraw/zinc/06/27/87/591062787.db2.gz BXAJLMYNHMJWMD-OKILXGFUSA-N 2 2 248.326 -0.545 20 30 BBEDLP OC[C@H]1C=CC[N@@H+]1CC#CC[NH+]1CC=C[C@H]1CO ZINC000880488307 591062782 /nfs/dbraw/zinc/06/27/82/591062782.db2.gz BXAJLMYNHMJWMD-OKILXGFUSA-N 2 2 248.326 -0.545 20 30 BBEDLP OC[C@H]1C=CC[NH+]1CC#CC[N@@H+]1CC=C[C@@H]1CO ZINC000880488308 591063414 /nfs/dbraw/zinc/06/34/14/591063414.db2.gz BXAJLMYNHMJWMD-ZIAGYGMSSA-N 2 2 248.326 -0.545 20 30 BBEDLP OC[C@H]1C=CC[NH+]1CC#CC[N@H+]1CC=C[C@@H]1CO ZINC000880488308 591063410 /nfs/dbraw/zinc/06/34/10/591063410.db2.gz BXAJLMYNHMJWMD-ZIAGYGMSSA-N 2 2 248.326 -0.545 20 30 BBEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(N)nc1N ZINC000883131327 591546665 /nfs/dbraw/zinc/54/66/65/591546665.db2.gz WBPIIEPNSRWQQO-UHFFFAOYSA-N 2 2 248.334 -0.314 20 30 BBEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(N)nc1N ZINC000883131327 591546663 /nfs/dbraw/zinc/54/66/63/591546663.db2.gz WBPIIEPNSRWQQO-UHFFFAOYSA-N 2 2 248.334 -0.314 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH2+]C ZINC000884012375 591798483 /nfs/dbraw/zinc/79/84/83/591798483.db2.gz JBCASZMCQAIYKE-VIFPVBQESA-N 2 2 243.307 -0.841 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[NH2+]CC ZINC000884023712 591805163 /nfs/dbraw/zinc/80/51/63/591805163.db2.gz UNRQAFJPYMHHEV-VIFPVBQESA-N 2 2 243.307 -0.841 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C[NH3+] ZINC000884032321 591816354 /nfs/dbraw/zinc/81/63/54/591816354.db2.gz OCFFODOTSJZDPX-BDAKNGLRSA-N 2 2 243.307 -0.761 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000884032322 591816207 /nfs/dbraw/zinc/81/62/07/591816207.db2.gz OCFFODOTSJZDPX-IUCAKERBSA-N 2 2 243.307 -0.761 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCC[NH3+] ZINC000884036394 591817632 /nfs/dbraw/zinc/81/76/32/591817632.db2.gz UPMWQTFHMQTJML-VIFPVBQESA-N 2 2 243.307 -0.760 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[NH2+]C ZINC000884242714 591878959 /nfs/dbraw/zinc/87/89/59/591878959.db2.gz GIHDKPWQZQETPT-VIFPVBQESA-N 2 2 243.307 -0.889 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[NH+](C)C ZINC000884285054 591893468 /nfs/dbraw/zinc/89/34/68/591893468.db2.gz YKXQYRLLSKYTKY-VIFPVBQESA-N 2 2 243.307 -0.889 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[NH2+]C ZINC000884420387 591929644 /nfs/dbraw/zinc/92/96/44/591929644.db2.gz RCGBSGHVOBPRFL-BDAKNGLRSA-N 2 2 243.307 -0.843 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[NH2+]C ZINC000884420388 591929611 /nfs/dbraw/zinc/92/96/11/591929611.db2.gz RCGBSGHVOBPRFL-IUCAKERBSA-N 2 2 243.307 -0.843 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)CC[NH3+] ZINC000884432015 591932367 /nfs/dbraw/zinc/93/23/67/591932367.db2.gz PBLCUIHTHWVSJQ-VIFPVBQESA-N 2 2 243.307 -0.760 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000884444665 591936798 /nfs/dbraw/zinc/93/67/98/591936798.db2.gz RKLBTPHUDABTTI-BDAKNGLRSA-N 2 2 243.307 -0.761 20 30 BBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H](C)[NH3+] ZINC000884444666 591936894 /nfs/dbraw/zinc/93/68/94/591936894.db2.gz RKLBTPHUDABTTI-IUCAKERBSA-N 2 2 243.307 -0.761 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886336620 592211927 /nfs/dbraw/zinc/21/19/27/592211927.db2.gz UJDUOFVNTCQNHL-BETUJISGSA-N 2 2 247.342 -0.285 20 30 BBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886336620 592211925 /nfs/dbraw/zinc/21/19/25/592211925.db2.gz UJDUOFVNTCQNHL-BETUJISGSA-N 2 2 247.342 -0.285 20 30 BBEDLP C#CC[N@@H+]1CCC[C@H](NC(NC)=[NH+]C)C1 ZINC000887323844 592481072 /nfs/dbraw/zinc/48/10/72/592481072.db2.gz JLJNYGMTYDAIJJ-JTQLQIEISA-N 2 2 208.309 -0.121 20 30 BBEDLP C#CC[N@H+]1CCC[C@H](NC(NC)=[NH+]C)C1 ZINC000887323844 592481069 /nfs/dbraw/zinc/48/10/69/592481069.db2.gz JLJNYGMTYDAIJJ-JTQLQIEISA-N 2 2 208.309 -0.121 20 30 BBEDLP C#CC[N@@H+]1CCC[C@@H](NC(NC)=[NH+]C)C1 ZINC000887323845 592480771 /nfs/dbraw/zinc/48/07/71/592480771.db2.gz JLJNYGMTYDAIJJ-SNVBAGLBSA-N 2 2 208.309 -0.121 20 30 BBEDLP C#CC[N@H+]1CCC[C@@H](NC(NC)=[NH+]C)C1 ZINC000887323845 592480767 /nfs/dbraw/zinc/48/07/67/592480767.db2.gz JLJNYGMTYDAIJJ-SNVBAGLBSA-N 2 2 208.309 -0.121 20 30 BBEDLP CCNC(NCC[N@@H+](C)CCO)=[NH+]CC ZINC000887324256 592480618 /nfs/dbraw/zinc/48/06/18/592480618.db2.gz XCCNBLQHGRPWDZ-UHFFFAOYSA-N 2 2 216.329 -0.515 20 30 BBEDLP CCNC(NCC[N@H+](C)CCO)=[NH+]CC ZINC000887324256 592480617 /nfs/dbraw/zinc/48/06/17/592480617.db2.gz XCCNBLQHGRPWDZ-UHFFFAOYSA-N 2 2 216.329 -0.515 20 30 BBEDLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895164857 583611408 /nfs/dbraw/zinc/61/14/08/583611408.db2.gz JIOLLEUFFIWMNP-SECBINFHSA-N 2 2 224.264 -0.110 20 30 BBEDLP Cn1c[nH+]cc1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895164858 583611392 /nfs/dbraw/zinc/61/13/92/583611392.db2.gz JIOLLEUFFIWMNP-VIFPVBQESA-N 2 2 224.264 -0.110 20 30 BBEDLP C=CCNC(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000899242088 584185560 /nfs/dbraw/zinc/18/55/60/584185560.db2.gz SSZBETMCVHEGFW-UHFFFAOYSA-N 2 2 212.297 -0.623 20 30 BBEDLP CC(=NN1CC[NH+](C)CC1)c1c[nH]c(N)[nH+]1 ZINC000901123880 584387012 /nfs/dbraw/zinc/38/70/12/584387012.db2.gz RVKZXOPPSOXSJL-UHFFFAOYSA-N 2 2 222.296 -0.037 20 30 BBEDLP C#CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000905004408 637542176 /nfs/dbraw/zinc/54/21/76/637542176.db2.gz JXWBSZSOBFSYGR-UHFFFAOYSA-N 2 2 224.308 -0.658 20 30 BBEDLP CC#CC[NH2+]Cc1cn(CC[NH+](C)C)nn1 ZINC000905061045 637595706 /nfs/dbraw/zinc/59/57/06/637595706.db2.gz BCKJIZINEJLHKK-UHFFFAOYSA-N 2 2 221.308 -0.047 20 30 BBEDLP Cn1c[nH+]cc1CC(=O)NCC#CC[NH+](C)C ZINC000913521172 711824017 /nfs/dbraw/zinc/82/40/17/711824017.db2.gz NKTCNHXCRSMXOW-UHFFFAOYSA-N 2 2 234.303 -0.356 20 30 BBEDLP C[NH+](C)CC#CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000913525482 711823601 /nfs/dbraw/zinc/82/36/01/711823601.db2.gz ZBEFJPBNTZERHH-UHFFFAOYSA-N 2 2 220.276 -0.367 20 30 BBEDLP CN(CCO)c1ccc(C=[NH+]NC(N)=[NH2+])cc1 ZINC000915051053 641796624 /nfs/dbraw/zinc/79/66/24/641796624.db2.gz SHHUHSOUSQBGTK-UHFFFAOYSA-N 2 2 235.291 -0.068 20 30 BBEDLP C#CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000920416246 642490408 /nfs/dbraw/zinc/49/04/08/642490408.db2.gz YLOVKOFJAUCHDI-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP C#CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000920416246 642490403 /nfs/dbraw/zinc/49/04/03/642490403.db2.gz YLOVKOFJAUCHDI-UHFFFAOYSA-N 2 2 223.320 -0.285 20 30 BBEDLP C=CCC[C@H](O)C[N@@H+](CC[NH3+])CCO ZINC000923331473 644358936 /nfs/dbraw/zinc/35/89/36/644358936.db2.gz LIBOIEMCZOYRRP-JTQLQIEISA-N 2 2 202.298 -0.434 20 30 BBEDLP C=CCC[C@H](O)C[N@H+](CC[NH3+])CCO ZINC000923331473 644358931 /nfs/dbraw/zinc/35/89/31/644358931.db2.gz LIBOIEMCZOYRRP-JTQLQIEISA-N 2 2 202.298 -0.434 20 30 BBEDLP C=CCC[C@@H](O)C[N@@H+](CC[NH3+])CCO ZINC000923331475 644361088 /nfs/dbraw/zinc/36/10/88/644361088.db2.gz LIBOIEMCZOYRRP-SNVBAGLBSA-N 2 2 202.298 -0.434 20 30 BBEDLP C=CCC[C@@H](O)C[N@H+](CC[NH3+])CCO ZINC000923331475 644361084 /nfs/dbraw/zinc/36/10/84/644361084.db2.gz LIBOIEMCZOYRRP-SNVBAGLBSA-N 2 2 202.298 -0.434 20 30 BBEDLP C=CCC[C@@H](O)C[N@H+]1CCNCC[NH2+]CC1 ZINC000923459811 644437329 /nfs/dbraw/zinc/43/73/29/644437329.db2.gz HIRKIVHYBJFXFC-GFCCVEGCSA-N 2 2 227.352 -0.192 20 30 BBEDLP C=CCC[C@@H](O)C[N@@H+]1CCNCC[NH2+]CC1 ZINC000923459811 644437326 /nfs/dbraw/zinc/43/73/26/644437326.db2.gz HIRKIVHYBJFXFC-GFCCVEGCSA-N 2 2 227.352 -0.192 20 30 BBEDLP C=CCC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459811 644437324 /nfs/dbraw/zinc/43/73/24/644437324.db2.gz HIRKIVHYBJFXFC-GFCCVEGCSA-N 2 2 227.352 -0.192 20 30 BBEDLP C=CCC[C@H](O)C[N@H+]1CCNCC[NH2+]CC1 ZINC000923459812 644436901 /nfs/dbraw/zinc/43/69/01/644436901.db2.gz HIRKIVHYBJFXFC-LBPRGKRZSA-N 2 2 227.352 -0.192 20 30 BBEDLP C=CCC[C@H](O)C[N@@H+]1CCNCC[NH2+]CC1 ZINC000923459812 644436898 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-0.144 20 30 BBEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032782067 711938603 /nfs/dbraw/zinc/93/86/03/711938603.db2.gz SOLRJFLCXITPIO-AVGNSLFASA-N 2 2 247.342 -0.144 20 30 BBEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032782067 711938602 /nfs/dbraw/zinc/93/86/02/711938602.db2.gz SOLRJFLCXITPIO-AVGNSLFASA-N 2 2 247.342 -0.144 20 30 BBEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032782067 711938601 /nfs/dbraw/zinc/93/86/01/711938601.db2.gz SOLRJFLCXITPIO-AVGNSLFASA-N 2 2 247.342 -0.144 20 30 BBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038916061 710713999 /nfs/dbraw/zinc/71/39/99/710713999.db2.gz ZZDJPPZMBRYCFK-GFCCVEGCSA-N 2 2 247.342 -0.094 20 30 BBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038916061 710713994 /nfs/dbraw/zinc/71/39/94/710713994.db2.gz ZZDJPPZMBRYCFK-GFCCVEGCSA-N 2 2 247.342 -0.094 20 30 BBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038916063 710714535 /nfs/dbraw/zinc/71/45/35/710714535.db2.gz ZZDJPPZMBRYCFK-LBPRGKRZSA-N 2 2 247.342 -0.094 20 30 BBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038916063 710714526 /nfs/dbraw/zinc/71/45/26/710714526.db2.gz ZZDJPPZMBRYCFK-LBPRGKRZSA-N 2 2 247.342 -0.094 20 30 BBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039014883 710718263 /nfs/dbraw/zinc/71/82/63/710718263.db2.gz GAKRCEPDAFKKLZ-NEPJUHHUSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039014883 710718261 /nfs/dbraw/zinc/71/82/61/710718261.db2.gz GAKRCEPDAFKKLZ-NEPJUHHUSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039014883 710718258 /nfs/dbraw/zinc/71/82/58/710718258.db2.gz GAKRCEPDAFKKLZ-NEPJUHHUSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039014883 710718256 /nfs/dbraw/zinc/71/82/56/710718256.db2.gz GAKRCEPDAFKKLZ-NEPJUHHUSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039014885 710717977 /nfs/dbraw/zinc/71/79/77/710717977.db2.gz GAKRCEPDAFKKLZ-NWDGAFQWSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039014885 710717971 /nfs/dbraw/zinc/71/79/71/710717971.db2.gz GAKRCEPDAFKKLZ-NWDGAFQWSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039014885 710717967 /nfs/dbraw/zinc/71/79/67/710717967.db2.gz GAKRCEPDAFKKLZ-NWDGAFQWSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039014885 710717962 /nfs/dbraw/zinc/71/79/62/710717962.db2.gz GAKRCEPDAFKKLZ-NWDGAFQWSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039014887 710718037 /nfs/dbraw/zinc/71/80/37/710718037.db2.gz GAKRCEPDAFKKLZ-RYUDHWBXSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039014887 710718032 /nfs/dbraw/zinc/71/80/32/710718032.db2.gz GAKRCEPDAFKKLZ-RYUDHWBXSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039014887 710718030 /nfs/dbraw/zinc/71/80/30/710718030.db2.gz GAKRCEPDAFKKLZ-RYUDHWBXSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039014887 710718024 /nfs/dbraw/zinc/71/80/24/710718024.db2.gz GAKRCEPDAFKKLZ-RYUDHWBXSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039014889 710718121 /nfs/dbraw/zinc/71/81/21/710718121.db2.gz GAKRCEPDAFKKLZ-VXGBXAGGSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039014889 710718118 /nfs/dbraw/zinc/71/81/18/710718118.db2.gz GAKRCEPDAFKKLZ-VXGBXAGGSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039014889 710718115 /nfs/dbraw/zinc/71/81/15/710718115.db2.gz GAKRCEPDAFKKLZ-VXGBXAGGSA-N 2 2 235.331 -0.238 20 30 BBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039014889 710718111 /nfs/dbraw/zinc/71/81/11/710718111.db2.gz GAKRCEPDAFKKLZ-VXGBXAGGSA-N 2 2 235.331 -0.238 20 30 BBEDLP