smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000174776688 407989674 /nfs/dbraw/zinc/98/96/74/407989674.db2.gz MAELUFFPEZCIOP-IAGOWNOFSA-N 2 1 320.481 1.905 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000262738587 222290622 /nfs/dbraw/zinc/29/06/22/222290622.db2.gz DBAUJQVPIGFHEA-RDJZCZTQSA-N 3 1 321.513 1.653 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262738587 222290627 /nfs/dbraw/zinc/29/06/27/222290627.db2.gz DBAUJQVPIGFHEA-RDJZCZTQSA-N 3 1 321.513 1.653 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262738587 222290629 /nfs/dbraw/zinc/29/06/29/222290629.db2.gz DBAUJQVPIGFHEA-RDJZCZTQSA-N 3 1 321.513 1.653 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCCN1C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262738587 222290633 /nfs/dbraw/zinc/29/06/33/222290633.db2.gz DBAUJQVPIGFHEA-RDJZCZTQSA-N 2 1 321.513 1.653 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCCN1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262738587 222290635 /nfs/dbraw/zinc/29/06/35/222290635.db2.gz DBAUJQVPIGFHEA-RDJZCZTQSA-N 2 1 321.513 1.653 10 30 DDEEMP C[NH+]=C(NCc1cn2c(n1)CCCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262742662 222291047 /nfs/dbraw/zinc/29/10/47/222291047.db2.gz FAKPLFMHYMHPSD-ZDUSSCGKSA-N 2 1 316.453 1.121 10 30 DDEEMP C[NH+]=C(NCc1cn2c(n1)CCCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262742662 222291050 /nfs/dbraw/zinc/29/10/50/222291050.db2.gz FAKPLFMHYMHPSD-ZDUSSCGKSA-N 2 1 316.453 1.121 10 30 DDEEMP C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261989579 698449701 /nfs/dbraw/zinc/44/97/01/698449701.db2.gz QYTYYKGRBHWHLO-MLGOLLRUSA-N 2 1 321.469 1.728 10 30 DDEEMP Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)sc1C#CC[NH3+] ZINC000094537034 193378411 /nfs/dbraw/zinc/37/84/11/193378411.db2.gz PYMFDMUKVOQABH-ZDUSSCGKSA-N 2 1 303.431 1.287 10 30 DDEEMP C=C(Br)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000245637361 222217418 /nfs/dbraw/zinc/21/74/18/222217418.db2.gz RQCUBUJQWZUJDK-CMPLNLGQSA-N 2 1 317.275 1.789 10 30 DDEEMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261771439 222257298 /nfs/dbraw/zinc/25/72/98/222257298.db2.gz OTUCPEZLTAMSFO-MSOLQXFVSA-N 2 1 313.445 1.861 10 30 DDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261771439 222257303 /nfs/dbraw/zinc/25/73/03/222257303.db2.gz OTUCPEZLTAMSFO-MSOLQXFVSA-N 2 1 313.445 1.861 10 30 DDEEMP CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261947558 222263831 /nfs/dbraw/zinc/26/38/31/222263831.db2.gz GJETYOPZPITUAG-UXLLHSPISA-N 2 1 310.486 1.697 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@](C)(O)c1ccsc1 ZINC000262479137 222283662 /nfs/dbraw/zinc/28/36/62/222283662.db2.gz HSVMTMLRNDIFMK-ZFWWWQNUSA-N 2 1 310.467 1.215 10 30 DDEEMP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000040599331 183107756 /nfs/dbraw/zinc/10/77/56/183107756.db2.gz PAQKZNJPOUYZSA-LBPRGKRZSA-N 2 1 306.435 1.880 10 30 DDEEMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000040599331 183107757 /nfs/dbraw/zinc/10/77/57/183107757.db2.gz PAQKZNJPOUYZSA-LBPRGKRZSA-N 2 1 306.435 1.880 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000246184842 408170931 /nfs/dbraw/zinc/17/09/31/408170931.db2.gz MAELUFFPEZCIOP-SJORKVTESA-N 2 1 320.481 1.905 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262437948 222281348 /nfs/dbraw/zinc/28/13/48/222281348.db2.gz GVSSLQZFYJUSOI-HOTGVXAUSA-N 3 1 307.486 1.216 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCCN1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262437948 222281351 /nfs/dbraw/zinc/28/13/51/222281351.db2.gz GVSSLQZFYJUSOI-HOTGVXAUSA-N 2 1 307.486 1.216 10 30 DDEEMP C[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262798753 222294405 /nfs/dbraw/zinc/29/44/05/222294405.db2.gz QJLKZLJLQIIFMY-OAHLLOKOSA-N 2 1 322.497 1.864 10 30 DDEEMP Cc1cc(NC(=O)C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)on1 ZINC000328643001 354558256 /nfs/dbraw/zinc/55/82/56/354558256.db2.gz RGKHIKJZQMTLOA-GFCCVEGCSA-N 2 1 303.366 1.962 10 30 DDEEMP Cc1cc(NC(=O)C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)on1 ZINC000328643001 354558257 /nfs/dbraw/zinc/55/82/57/354558257.db2.gz RGKHIKJZQMTLOA-GFCCVEGCSA-N 2 1 303.366 1.962 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000176586432 408399999 /nfs/dbraw/zinc/39/99/99/408399999.db2.gz VHMUIZWEEZGDAM-ZBFHGGJFSA-N 2 1 308.470 1.665 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000171739972 407754840 /nfs/dbraw/zinc/75/48/40/407754840.db2.gz MVIHKGYATNHEAR-MRXNPFEDSA-N 2 1 306.454 1.517 10 30 DDEEMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])N2CCC2)CCC[N@H+]1C1CC1 ZINC000263105255 222303418 /nfs/dbraw/zinc/30/34/18/222303418.db2.gz KOEVYOVTOCIYLC-XJKSGUPXSA-N 2 1 316.453 1.356 10 30 DDEEMP Cc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)sc1C#CC[NH3+] ZINC000094536127 193377418 /nfs/dbraw/zinc/37/74/18/193377418.db2.gz FMEMXFRIDWSYGK-CYBMUJFWSA-N 2 1 303.431 1.191 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262767282 222291933 /nfs/dbraw/zinc/29/19/33/222291933.db2.gz JHGJLPFKFKQWLO-ZBFHGGJFSA-N 2 1 308.470 1.737 10 30 DDEEMP CCNC(=O)N1CCC([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328624522 354549703 /nfs/dbraw/zinc/54/97/03/354549703.db2.gz CLIWDGPKLWRWOC-ZDUSSCGKSA-N 2 1 305.426 1.433 10 30 DDEEMP Cc1cc(C(=O)N2CC[NH+](C(C)C)CC2)sc1C#CC[NH3+] ZINC000094536253 193377506 /nfs/dbraw/zinc/37/75/06/193377506.db2.gz DYKMXVYIAKZWAI-UHFFFAOYSA-N 2 1 305.447 1.533 10 30 DDEEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000090327577 185291316 /nfs/dbraw/zinc/29/13/16/185291316.db2.gz RNWZDIAWSGGAFC-RAIGVLPGSA-N 2 1 304.419 1.488 10 30 DDEEMP Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)sc1C#CC[NH3+] ZINC000094537004 193378047 /nfs/dbraw/zinc/37/80/47/193378047.db2.gz QLNYTBLWNLNYQP-CYBMUJFWSA-N 2 1 305.447 1.533 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000261975321 222266598 /nfs/dbraw/zinc/26/65/98/222266598.db2.gz NOKRXTGMEVJNQG-OWCLPIDISA-N 3 1 309.502 1.364 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261975321 222266602 /nfs/dbraw/zinc/26/66/02/222266602.db2.gz NOKRXTGMEVJNQG-OWCLPIDISA-N 2 1 309.502 1.364 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261975321 222266606 /nfs/dbraw/zinc/26/66/06/222266606.db2.gz NOKRXTGMEVJNQG-OWCLPIDISA-N 2 1 309.502 1.364 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261975321 222266614 /nfs/dbraw/zinc/26/66/14/222266614.db2.gz NOKRXTGMEVJNQG-OWCLPIDISA-N 2 1 309.502 1.364 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261941693 222262100 /nfs/dbraw/zinc/26/21/00/222262100.db2.gz DQXDSIWLAHQDJO-HRCADAONSA-N 2 1 318.469 1.436 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262756336 222290923 /nfs/dbraw/zinc/29/09/23/222290923.db2.gz BHSSDLFMWPDPIX-ZOBUZTSGSA-N 2 1 322.497 1.719 10 30 DDEEMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261994378 275407510 /nfs/dbraw/zinc/40/75/10/275407510.db2.gz SBQVZRCNTNCUKE-DZGCQCFKSA-N 2 1 320.485 1.436 10 30 DDEEMP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1cccnc1 ZINC000328624478 354549520 /nfs/dbraw/zinc/54/95/20/354549520.db2.gz JYPWRJKSSPSVFE-JYJNAYRXSA-N 2 1 318.421 1.362 10 30 DDEEMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1cccnc1 ZINC000328624478 354549522 /nfs/dbraw/zinc/54/95/22/354549522.db2.gz JYPWRJKSSPSVFE-JYJNAYRXSA-N 2 1 318.421 1.362 10 30 DDEEMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1cccnc1 ZINC000328624478 354549523 /nfs/dbraw/zinc/54/95/23/354549523.db2.gz JYPWRJKSSPSVFE-JYJNAYRXSA-N 2 1 318.421 1.362 10 30 DDEEMP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1cccnc1 ZINC000328624478 354549525 /nfs/dbraw/zinc/54/95/25/354549525.db2.gz JYPWRJKSSPSVFE-JYJNAYRXSA-N 2 1 318.421 1.362 10 30 DDEEMP CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)c(C#CC[NH3+])s2)C1 ZINC000094536346 193378188 /nfs/dbraw/zinc/37/81/88/193378188.db2.gz OLKPEDFTZGGZJU-CYBMUJFWSA-N 2 1 305.447 1.438 10 30 DDEEMP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000040599334 183108021 /nfs/dbraw/zinc/10/80/21/183108021.db2.gz PAQKZNJPOUYZSA-GFCCVEGCSA-N 2 1 306.435 1.880 10 30 DDEEMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000040599334 183108023 /nfs/dbraw/zinc/10/80/23/183108023.db2.gz PAQKZNJPOUYZSA-GFCCVEGCSA-N 2 1 306.435 1.880 10 30 DDEEMP CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261646981 222252991 /nfs/dbraw/zinc/25/29/91/222252991.db2.gz DSQWFWLOQNZGII-HUUCEWRRSA-N 2 1 308.470 1.405 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262777949 222292946 /nfs/dbraw/zinc/29/29/46/222292946.db2.gz KCBSOGFAQCSJAX-MKXAEBJUSA-N 2 1 322.497 1.718 10 30 DDEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC[C@@H]1C#N ZINC000262793985 222294887 /nfs/dbraw/zinc/29/48/87/222294887.db2.gz OWRSYXLFFWGGPT-UMVBOHGHSA-N 2 1 309.483 1.281 10 30 DDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1COc2ccc(F)cc21 ZINC000262405711 276184312 /nfs/dbraw/zinc/18/43/12/276184312.db2.gz OMKBTWLEKIWZBA-GXTWGEPZSA-N 2 1 306.385 1.648 10 30 DDEEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424167197 534026652 /nfs/dbraw/zinc/02/66/52/534026652.db2.gz HAAFHXQPZZJINA-ZBFHGGJFSA-N 2 1 302.422 1.644 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247471575 222229596 /nfs/dbraw/zinc/22/95/96/222229596.db2.gz VHMUIZWEEZGDAM-GOEBONIOSA-N 2 1 308.470 1.665 10 30 DDEEMP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@@H]1c1cccnc1 ZINC000328624479 354549633 /nfs/dbraw/zinc/54/96/33/354549633.db2.gz JYPWRJKSSPSVFE-XHSDSOJGSA-N 2 1 318.421 1.362 10 30 DDEEMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@@H]1c1cccnc1 ZINC000328624479 354549634 /nfs/dbraw/zinc/54/96/34/354549634.db2.gz JYPWRJKSSPSVFE-XHSDSOJGSA-N 2 1 318.421 1.362 10 30 DDEEMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H]1c1cccnc1 ZINC000328624479 354549635 /nfs/dbraw/zinc/54/96/35/354549635.db2.gz JYPWRJKSSPSVFE-XHSDSOJGSA-N 2 1 318.421 1.362 10 30 DDEEMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H]1c1cccnc1 ZINC000328624479 354549636 /nfs/dbraw/zinc/54/96/36/354549636.db2.gz JYPWRJKSSPSVFE-XHSDSOJGSA-N 2 1 318.421 1.362 10 30 DDEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000246847904 222224783 /nfs/dbraw/zinc/22/47/83/222224783.db2.gz BZKQIIQMZAXTMX-TZMCWYRMSA-N 2 1 319.409 1.056 10 30 DDEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000246847904 222224786 /nfs/dbraw/zinc/22/47/86/222224786.db2.gz BZKQIIQMZAXTMX-TZMCWYRMSA-N 2 1 319.409 1.056 10 30 DDEEMP C[NH+]=C(NC[C@H](O)C(F)(F)F)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262823670 698481201 /nfs/dbraw/zinc/48/12/01/698481201.db2.gz ZBFYHDSQYACATC-YATPEIPISA-N 2 1 322.375 1.090 10 30 DDEEMP O=C(C[N@@H+]1CC[C@H](Oc2ccncc2)C1)NC1CCOCC1 ZINC000330282360 223098447 /nfs/dbraw/zinc/09/84/47/223098447.db2.gz VHWUECNRVIFGFE-HNNXBMFYSA-N 2 1 305.378 1.670 10 30 DDEEMP O=C(C[N@H+]1CC[C@H](Oc2ccncc2)C1)NC1CCOCC1 ZINC000330282360 223098450 /nfs/dbraw/zinc/09/84/50/223098450.db2.gz VHWUECNRVIFGFE-HNNXBMFYSA-N 2 1 305.378 1.670 10 30 DDEEMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536157 193377335 /nfs/dbraw/zinc/37/73/35/193377335.db2.gz SDXLRGGQSLYFCW-ZDUSSCGKSA-N 2 1 305.447 1.581 10 30 DDEEMP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)sc1C#CC[NH3+] ZINC000094536630 193378460 /nfs/dbraw/zinc/37/84/60/193378460.db2.gz ISGNZNPVBUCFOL-GFCCVEGCSA-N 2 1 303.431 1.333 10 30 DDEEMP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178310109 408804193 /nfs/dbraw/zinc/80/41/93/408804193.db2.gz RGNNEHPUYMQXDI-OAHLLOKOSA-N 2 1 303.410 1.418 10 30 DDEEMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178310109 408804197 /nfs/dbraw/zinc/80/41/97/408804197.db2.gz RGNNEHPUYMQXDI-OAHLLOKOSA-N 2 1 303.410 1.418 10 30 DDEEMP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)N1 ZINC000262641931 222287679 /nfs/dbraw/zinc/28/76/79/222287679.db2.gz HWPWQDQEBNMKOR-HEHGZKQESA-N 2 1 316.453 1.273 10 30 DDEEMP C[NH+]=C(NCc1cccn1C)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262810309 222295381 /nfs/dbraw/zinc/29/53/81/222295381.db2.gz UWBCATUAVJBQPV-MRXNPFEDSA-N 2 1 317.481 1.955 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000106340828 194198441 /nfs/dbraw/zinc/19/84/41/194198441.db2.gz JCEUUWKTBFUKOV-KRWDZBQOSA-N 2 1 320.481 1.907 10 30 DDEEMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000261984694 222266291 /nfs/dbraw/zinc/26/62/91/222266291.db2.gz PRYNEJODISRIFK-IXDOHACOSA-N 2 1 323.529 1.755 10 30 DDEEMP C[NH+]=C(NCC[NH+]1CCCC[C@@H]1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261984694 222266293 /nfs/dbraw/zinc/26/62/93/222266293.db2.gz PRYNEJODISRIFK-IXDOHACOSA-N 2 1 323.529 1.755 10 30 DDEEMP C[NH+]=C(NCCN1CCCC[C@@H]1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261984694 222266301 /nfs/dbraw/zinc/26/63/01/222266301.db2.gz PRYNEJODISRIFK-IXDOHACOSA-N 2 1 323.529 1.755 10 30 DDEEMP C[NH+]=C(NCCN1CCCC[C@@H]1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261984694 222266303 /nfs/dbraw/zinc/26/63/03/222266303.db2.gz PRYNEJODISRIFK-IXDOHACOSA-N 2 1 323.529 1.755 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093976702 193333856 /nfs/dbraw/zinc/33/38/56/193333856.db2.gz MMISBADIVUOWIQ-CQSZACIVSA-N 2 1 305.447 1.615 10 30 DDEEMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262004095 222269470 /nfs/dbraw/zinc/26/94/70/222269470.db2.gz VCOIJYWXKAUUOB-UAGQMJEPSA-N 2 1 324.513 1.821 10 30 DDEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000246851552 222224608 /nfs/dbraw/zinc/22/46/08/222224608.db2.gz CMVJZRUOOUPLCD-IRXDYDNUSA-N 2 1 303.450 1.417 10 30 DDEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)CCC#N ZINC000247184807 222228074 /nfs/dbraw/zinc/22/80/74/222228074.db2.gz WEKSTXVGVDXRKX-UKRRQHHQSA-N 2 1 303.410 1.417 10 30 DDEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)CCC#N ZINC000247184807 222228076 /nfs/dbraw/zinc/22/80/76/222228076.db2.gz WEKSTXVGVDXRKX-UKRRQHHQSA-N 2 1 303.410 1.417 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000261880508 222260435 /nfs/dbraw/zinc/26/04/35/222260435.db2.gz UFSZDCKSOPCXGJ-LSDHHAIUSA-N 2 1 308.470 1.595 10 30 DDEEMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261948095 222263327 /nfs/dbraw/zinc/26/33/27/222263327.db2.gz GLZDCKZJLSSQMG-JKSUJKDBSA-N 3 1 323.529 1.755 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1COc2ccc(F)cc21 ZINC000262405714 222278874 /nfs/dbraw/zinc/27/88/74/222278874.db2.gz OMKBTWLEKIWZBA-OCCSQVGLSA-N 2 1 306.385 1.648 10 30 DDEEMP C[NH+]=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262742661 222290599 /nfs/dbraw/zinc/29/05/99/222290599.db2.gz FAKPLFMHYMHPSD-CYBMUJFWSA-N 2 1 316.453 1.121 10 30 DDEEMP C[NH+]=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262742661 222290601 /nfs/dbraw/zinc/29/06/01/222290601.db2.gz FAKPLFMHYMHPSD-CYBMUJFWSA-N 2 1 316.453 1.121 10 30 DDEEMP CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262803430 222295256 /nfs/dbraw/zinc/29/52/56/222295256.db2.gz RUKYNGPGPWHNAD-OAHLLOKOSA-N 2 1 322.497 1.864 10 30 DDEEMP C[NH+]=C(NCCn1ccnc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262932875 222299099 /nfs/dbraw/zinc/29/90/99/222299099.db2.gz MFJJABZUAAVGAM-CQSZACIVSA-N 3 1 304.442 1.065 10 30 DDEEMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000262655394 300306174 /nfs/dbraw/zinc/30/61/74/300306174.db2.gz LLZZNOZGXCJUKH-SOUVJXGZSA-N 2 1 316.449 1.733 10 30 DDEEMP [NH3+]CC#Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)s1 ZINC000062943460 184261789 /nfs/dbraw/zinc/26/17/89/184261789.db2.gz FAVDGQPQAHMRTI-ZDUSSCGKSA-N 2 1 303.431 1.369 10 30 DDEEMP CC[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245625647 222217625 /nfs/dbraw/zinc/21/76/25/222217625.db2.gz OVRCCUZUNHQTCZ-IUODEOHRSA-N 2 1 307.442 1.767 10 30 DDEEMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC2CCC2)CCC[N@H+]1C ZINC000263178851 222305642 /nfs/dbraw/zinc/30/56/42/222305642.db2.gz TXKITYHZTBPTAM-SWLSCSKDSA-N 2 1 304.442 1.260 10 30 DDEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000246851570 275382101 /nfs/dbraw/zinc/38/21/01/275382101.db2.gz CMVJZRUOOUPLCD-SJORKVTESA-N 2 1 303.450 1.417 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)NC1CC1 ZINC000262187386 698458498 /nfs/dbraw/zinc/45/84/98/698458498.db2.gz XTXUEUGHMTVDRP-SWLSCSKDSA-N 2 1 304.442 1.130 10 30 DDEEMP N#Cc1ccsc1NC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750023 183129043 /nfs/dbraw/zinc/12/90/43/183129043.db2.gz UAFRMVVFAUCDIJ-YHWZYXNKSA-N 2 1 304.419 1.902 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000262790897 222294293 /nfs/dbraw/zinc/29/42/93/222294293.db2.gz NEEPFDHQFRHKIQ-HOTGVXAUSA-N 3 1 321.513 1.510 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262790897 222294296 /nfs/dbraw/zinc/29/42/96/222294296.db2.gz NEEPFDHQFRHKIQ-HOTGVXAUSA-N 3 1 321.513 1.510 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262790897 222294298 /nfs/dbraw/zinc/29/42/98/222294298.db2.gz NEEPFDHQFRHKIQ-HOTGVXAUSA-N 3 1 321.513 1.510 10 30 DDEEMP Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)sc1C#CC[NH3+] ZINC000094536622 193378488 /nfs/dbraw/zinc/37/84/88/193378488.db2.gz JTMJAFKFZIFOIN-ZDUSSCGKSA-N 2 1 305.447 1.438 10 30 DDEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)CCC#N ZINC000178328962 408807329 /nfs/dbraw/zinc/80/73/29/408807329.db2.gz WEKSTXVGVDXRKX-DZGCQCFKSA-N 2 1 303.410 1.417 10 30 DDEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)CCC#N ZINC000178328962 408807331 /nfs/dbraw/zinc/80/73/31/408807331.db2.gz WEKSTXVGVDXRKX-DZGCQCFKSA-N 2 1 303.410 1.417 10 30 DDEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249903682 222242506 /nfs/dbraw/zinc/24/25/06/222242506.db2.gz ULDFUWQZRMELDZ-CABCVRRESA-N 2 1 300.406 1.262 10 30 DDEEMP C[NH+]=C(NCC1CCOCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262865295 222297961 /nfs/dbraw/zinc/29/79/61/222297961.db2.gz BZGDGKXQXSGFDW-OAHLLOKOSA-N 2 1 308.470 1.595 10 30 DDEEMP Cc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)sc1C#CC[NH3+] ZINC000094536128 193377721 /nfs/dbraw/zinc/37/77/21/193377721.db2.gz FMEMXFRIDWSYGK-ZDUSSCGKSA-N 2 1 303.431 1.191 10 30 DDEEMP CC[C@H]1CN(C(=O)c2cc(C)c(C#CC[NH3+])s2)CC[N@@H+]1C ZINC000094536818 193378697 /nfs/dbraw/zinc/37/86/97/193378697.db2.gz WIKOTCUKLYAZNZ-ZDUSSCGKSA-N 2 1 305.447 1.533 10 30 DDEEMP CC[C@H]1CN(C(=O)c2cc(C)c(C#CC[NH3+])s2)CC[N@H+]1C ZINC000094536818 193378698 /nfs/dbraw/zinc/37/86/98/193378698.db2.gz WIKOTCUKLYAZNZ-ZDUSSCGKSA-N 2 1 305.447 1.533 10 30 DDEEMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246937728 222225588 /nfs/dbraw/zinc/22/55/88/222225588.db2.gz HKNIQCRIFGJNTG-HOCLYGCPSA-N 2 1 317.437 1.664 10 30 DDEEMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246937728 222225592 /nfs/dbraw/zinc/22/55/92/222225592.db2.gz HKNIQCRIFGJNTG-HOCLYGCPSA-N 2 1 317.437 1.664 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247471572 222229539 /nfs/dbraw/zinc/22/95/39/222229539.db2.gz VHMUIZWEEZGDAM-GDBMZVCRSA-N 2 1 308.470 1.665 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262437951 222280744 /nfs/dbraw/zinc/28/07/44/222280744.db2.gz GVSSLQZFYJUSOI-JKSUJKDBSA-N 3 1 307.486 1.216 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCCN1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262437951 222280748 /nfs/dbraw/zinc/28/07/48/222280748.db2.gz GVSSLQZFYJUSOI-JKSUJKDBSA-N 2 1 307.486 1.216 10 30 DDEEMP C[NH+]=C(NCCn1cccn1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262761410 222292495 /nfs/dbraw/zinc/29/24/95/222292495.db2.gz INZMRYPAJVRQIQ-CQSZACIVSA-N 2 1 304.442 1.065 10 30 DDEEMP C[NH+]=C(NCc1cccn1C)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262810306 222295746 /nfs/dbraw/zinc/29/57/46/222295746.db2.gz UWBCATUAVJBQPV-INIZCTEOSA-N 2 1 317.481 1.955 10 30 DDEEMP C[N@@H+](CC(=O)Nc1nncs1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328637702 354556486 /nfs/dbraw/zinc/55/64/86/354556486.db2.gz ORVRPLHKYVAPHG-JTQLQIEISA-N 2 1 306.395 1.517 10 30 DDEEMP C[N@H+](CC(=O)Nc1nncs1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328637702 354556487 /nfs/dbraw/zinc/55/64/87/354556487.db2.gz ORVRPLHKYVAPHG-JTQLQIEISA-N 2 1 306.395 1.517 10 30 DDEEMP CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)c(C#CC[NH3+])s2)C1 ZINC000094536468 193378295 /nfs/dbraw/zinc/37/82/95/193378295.db2.gz IDTGASZJQBRVJM-ZDUSSCGKSA-N 2 1 305.447 1.581 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000172265066 407815904 /nfs/dbraw/zinc/81/59/04/407815904.db2.gz WIJOQWNCCDSEKY-GDBMZVCRSA-N 2 1 306.454 1.515 10 30 DDEEMP C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262849530 222297989 /nfs/dbraw/zinc/29/79/89/222297989.db2.gz ZJWROHQFVGYSMI-CQSZACIVSA-N 2 1 304.442 1.400 10 30 DDEEMP Cc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)sc1C#CC[NH3+] ZINC000094536742 193378567 /nfs/dbraw/zinc/37/85/67/193378567.db2.gz LMWIOIADTCNPIJ-ZDUSSCGKSA-N 2 1 305.447 1.533 10 30 DDEEMP C#CCNC(NCC1CC[NH+](Cc2csc(C)n2)CC1)=[NH+]C ZINC000262754086 222290534 /nfs/dbraw/zinc/29/05/34/222290534.db2.gz COJRZLIWRBAJRT-UHFFFAOYSA-N 2 1 319.478 1.462 10 30 DDEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000177220193 408554196 /nfs/dbraw/zinc/55/41/96/408554196.db2.gz JMHOGDYCCTXQKM-KRWDZBQOSA-N 2 1 314.433 1.528 10 30 DDEEMP CC(C)[N@@H+](C)CCCCNC(=O)c1ccc(C#CC[NH3+])s1 ZINC000041684936 183216714 /nfs/dbraw/zinc/21/67/14/183216714.db2.gz XBGHEUQOCRQJJZ-UHFFFAOYSA-N 2 1 307.463 1.909 10 30 DDEEMP [NH3+]CC#Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000094443490 193369865 /nfs/dbraw/zinc/36/98/65/193369865.db2.gz BGYILFJDRQAGSQ-CQSZACIVSA-N 2 1 303.431 1.369 10 30 DDEEMP [NH3+]CC#Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cs1 ZINC000094443490 193369866 /nfs/dbraw/zinc/36/98/66/193369866.db2.gz BGYILFJDRQAGSQ-CQSZACIVSA-N 2 1 303.431 1.369 10 30 DDEEMP C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261663494 222253722 /nfs/dbraw/zinc/25/37/22/222253722.db2.gz AZUNIXLAMRFKNR-UKRRQHHQSA-N 2 1 319.453 1.484 10 30 DDEEMP CC[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262824932 222297000 /nfs/dbraw/zinc/29/70/00/222297000.db2.gz TVMVZFIUNBGVQR-HNNXBMFYSA-N 2 1 318.469 1.790 10 30 DDEEMP CC[NH+]=C(NCC1(O)CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262803427 278166539 /nfs/dbraw/zinc/16/65/39/278166539.db2.gz RUKYNGPGPWHNAD-HNNXBMFYSA-N 2 1 322.497 1.864 10 30 DDEEMP CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043688780 183381541 /nfs/dbraw/zinc/38/15/41/183381541.db2.gz YWTLKFNMEAOOPK-CQSZACIVSA-N 2 1 306.431 1.833 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000171600713 407717332 /nfs/dbraw/zinc/71/73/32/407717332.db2.gz OAJVNILDPACNCA-INIZCTEOSA-N 2 1 308.470 1.810 10 30 DDEEMP CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261947557 222263823 /nfs/dbraw/zinc/26/38/23/222263823.db2.gz GJETYOPZPITUAG-INMHGKMJSA-N 2 1 310.486 1.697 10 30 DDEEMP C[NH+]=C(NCc1cccn1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262764470 222291778 /nfs/dbraw/zinc/29/17/78/222291778.db2.gz FMHCGFRWPQYDGO-CQSZACIVSA-N 2 1 303.454 1.707 10 30 DDEEMP C[NH+]=C(NCCn1ccnc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262932872 222299249 /nfs/dbraw/zinc/29/92/49/222299249.db2.gz MFJJABZUAAVGAM-AWEZNQCLSA-N 3 1 304.442 1.065 10 30 DDEEMP C[NH+](C)CCO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H]2COC[C@H]21 ZINC000247963447 257113433 /nfs/dbraw/zinc/11/34/33/257113433.db2.gz FVNVRIZURVQRSO-FGTMMUONSA-N 2 1 315.417 1.336 10 30 DDEEMP CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C#CC[NH3+])s2)C1 ZINC000094536469 193377887 /nfs/dbraw/zinc/37/78/87/193377887.db2.gz IDTGASZJQBRVJM-CYBMUJFWSA-N 2 1 305.447 1.581 10 30 DDEEMP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000262681290 222289419 /nfs/dbraw/zinc/28/94/19/222289419.db2.gz WIBBQOAFPDFVEO-XJKSGUPXSA-N 2 1 318.469 1.648 10 30 DDEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC[C@H]1C#N ZINC000262782136 222293088 /nfs/dbraw/zinc/29/30/88/222293088.db2.gz LJAVPWFGBXLIHF-SQWLQELKSA-N 2 1 323.510 1.671 10 30 DDEEMP CC[NH+](CC)CCCCNC(=O)C1CC[NH+](CCC#N)CC1 ZINC000062047781 184203175 /nfs/dbraw/zinc/20/31/75/184203175.db2.gz APHGZTSJKCDZNQ-UHFFFAOYSA-N 2 1 308.470 1.850 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000246184837 222220734 /nfs/dbraw/zinc/22/07/34/222220734.db2.gz MAELUFFPEZCIOP-IRXDYDNUSA-N 2 1 320.481 1.905 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262777232 222293864 /nfs/dbraw/zinc/29/38/64/222293864.db2.gz JOVMJODNBSSWJY-ULQDDVLXSA-N 2 1 322.497 1.577 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000262869245 222298349 /nfs/dbraw/zinc/29/83/49/222298349.db2.gz CQADZWHHZZQVRR-LSDHHAIUSA-N 3 1 307.486 1.120 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262869245 222298352 /nfs/dbraw/zinc/29/83/52/222298352.db2.gz CQADZWHHZZQVRR-LSDHHAIUSA-N 3 1 307.486 1.120 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262869245 222298355 /nfs/dbraw/zinc/29/83/55/222298355.db2.gz CQADZWHHZZQVRR-LSDHHAIUSA-N 3 1 307.486 1.120 10 30 DDEEMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000261983701 222266461 /nfs/dbraw/zinc/26/64/61/222266461.db2.gz JEJLAWLDOSNEEA-ZDUSSCGKSA-N 2 1 304.394 1.669 10 30 DDEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)CCC#N ZINC000247184802 222227809 /nfs/dbraw/zinc/22/78/09/222227809.db2.gz WEKSTXVGVDXRKX-HIFRSBDPSA-N 2 1 303.410 1.417 10 30 DDEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)CCC#N ZINC000247184802 222227813 /nfs/dbraw/zinc/22/78/13/222227813.db2.gz WEKSTXVGVDXRKX-HIFRSBDPSA-N 2 1 303.410 1.417 10 30 DDEEMP CC[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261942709 698446704 /nfs/dbraw/zinc/44/67/04/698446704.db2.gz DXPCBXMYIQGZIG-DGCLKSJQSA-N 2 1 308.430 1.162 10 30 DDEEMP CC[N@@H+]1CCN(C(=O)c2cc(C)c(C#CC[NH3+])s2)C[C@H]1C ZINC000094536816 193378498 /nfs/dbraw/zinc/37/84/98/193378498.db2.gz KSLYLNCKUJPUFS-CYBMUJFWSA-N 2 1 305.447 1.533 10 30 DDEEMP CC[N@H+]1CCN(C(=O)c2cc(C)c(C#CC[NH3+])s2)C[C@H]1C ZINC000094536816 193378499 /nfs/dbraw/zinc/37/84/99/193378499.db2.gz KSLYLNCKUJPUFS-CYBMUJFWSA-N 2 1 305.447 1.533 10 30 DDEEMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290328 222196611 /nfs/dbraw/zinc/19/66/11/222196611.db2.gz OSRDHUMUTRUPRC-DOTOQJQBSA-N 2 1 316.449 1.526 10 30 DDEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290328 222196615 /nfs/dbraw/zinc/19/66/15/222196615.db2.gz OSRDHUMUTRUPRC-DOTOQJQBSA-N 2 1 316.449 1.526 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCC(OCC2CC2)CC1 ZINC000261832876 222259740 /nfs/dbraw/zinc/25/97/40/222259740.db2.gz VROUFMNDKCWOTC-HNNXBMFYSA-N 2 1 308.470 1.547 10 30 DDEEMP Cc1nc(C[NH+]2CCC(CNC3=[NH+]C[C@@H](C)N3)CC2)cs1 ZINC000262627998 222287086 /nfs/dbraw/zinc/28/70/86/222287086.db2.gz DWSPYUQGHCELEM-LLVKDONJSA-N 2 1 307.467 1.601 10 30 DDEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC[C@@H]1C#N ZINC000262782132 222293337 /nfs/dbraw/zinc/29/33/37/222293337.db2.gz LJAVPWFGBXLIHF-IIAWOOMASA-N 2 1 323.510 1.671 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261712489 222255924 /nfs/dbraw/zinc/25/59/24/222255924.db2.gz KDEHPPAHNGEVQE-ULQDDVLXSA-N 2 1 322.497 1.795 10 30 DDEEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000090327575 185291357 /nfs/dbraw/zinc/29/13/57/185291357.db2.gz RNWZDIAWSGGAFC-RTXFEEFZSA-N 2 1 304.419 1.488 10 30 DDEEMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262323782 222276155 /nfs/dbraw/zinc/27/61/55/222276155.db2.gz SRKIGKGHYJFSEN-CQSZACIVSA-N 2 1 323.485 1.035 10 30 DDEEMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043683447 183380388 /nfs/dbraw/zinc/38/03/88/183380388.db2.gz HJPZCJBIWLEISO-AWEZNQCLSA-N 2 1 306.431 1.833 10 30 DDEEMP CC[NH+]=C(NCC1CCOCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000179201430 221892107 /nfs/dbraw/zinc/89/21/07/221892107.db2.gz OQXWAFHIXYYBAI-GOEBONIOSA-N 2 1 310.486 1.697 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262760263 222292191 /nfs/dbraw/zinc/29/21/91/222292191.db2.gz CZKXIUFDHSGRJR-LZWOXQAQSA-N 2 1 308.470 1.329 10 30 DDEEMP C[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261991068 698449282 /nfs/dbraw/zinc/44/92/82/698449282.db2.gz RHYGJWDVQGEKJU-LSDHHAIUSA-N 2 1 310.486 1.575 10 30 DDEEMP [NH3+]CC#Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cs1 ZINC000094443491 193369437 /nfs/dbraw/zinc/36/94/37/193369437.db2.gz BGYILFJDRQAGSQ-AWEZNQCLSA-N 2 1 303.431 1.369 10 30 DDEEMP [NH3+]CC#Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cs1 ZINC000094443491 193369439 /nfs/dbraw/zinc/36/94/39/193369439.db2.gz BGYILFJDRQAGSQ-AWEZNQCLSA-N 2 1 303.431 1.369 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261976667 222266714 /nfs/dbraw/zinc/26/67/14/222266714.db2.gz NVIVAMVODUCEDP-UGQVUOCMSA-N 2 1 308.470 1.185 10 30 DDEEMP CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)c(C#CC[NH3+])s2)C1 ZINC000094536347 193378464 /nfs/dbraw/zinc/37/84/64/193378464.db2.gz OLKPEDFTZGGZJU-ZDUSSCGKSA-N 2 1 305.447 1.438 10 30 DDEEMP C[NH+]=C(NCCn1cccn1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262761409 222292151 /nfs/dbraw/zinc/29/21/51/222292151.db2.gz INZMRYPAJVRQIQ-AWEZNQCLSA-N 2 1 304.442 1.065 10 30 DDEEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2csc(C#CC[NH3+])c2)C1 ZINC000093976300 193333088 /nfs/dbraw/zinc/33/30/88/193333088.db2.gz RDGVJFLKYYAYJQ-ZDUSSCGKSA-N 2 1 305.447 1.518 10 30 DDEEMP Cc1nc(C[NH+]2CCC(CNC3=[NH+]C[C@H](C)N3)CC2)cs1 ZINC000262627999 222287301 /nfs/dbraw/zinc/28/73/01/222287301.db2.gz DWSPYUQGHCELEM-NSHDSACASA-N 2 1 307.467 1.601 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000262727142 222290981 /nfs/dbraw/zinc/29/09/81/222290981.db2.gz ANIRCNQENCXQOS-HOCLYGCPSA-N 3 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262727142 222290986 /nfs/dbraw/zinc/29/09/86/222290986.db2.gz ANIRCNQENCXQOS-HOCLYGCPSA-N 3 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262727142 222290988 /nfs/dbraw/zinc/29/09/88/222290988.db2.gz ANIRCNQENCXQOS-HOCLYGCPSA-N 3 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCCN1C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262727142 222290993 /nfs/dbraw/zinc/29/09/93/222290993.db2.gz ANIRCNQENCXQOS-HOCLYGCPSA-N 2 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCCN1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262727142 222290994 /nfs/dbraw/zinc/29/09/94/222290994.db2.gz ANIRCNQENCXQOS-HOCLYGCPSA-N 2 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000262869243 222298161 /nfs/dbraw/zinc/29/81/61/222298161.db2.gz CQADZWHHZZQVRR-GJZGRUSLSA-N 3 1 307.486 1.120 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262869243 222298164 /nfs/dbraw/zinc/29/81/64/222298164.db2.gz CQADZWHHZZQVRR-GJZGRUSLSA-N 3 1 307.486 1.120 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262869243 222298165 /nfs/dbraw/zinc/29/81/65/222298165.db2.gz CQADZWHHZZQVRR-GJZGRUSLSA-N 3 1 307.486 1.120 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1C[NH+](C(C)C)C[C@H]1C)=[NH+]C ZINC000261988776 279303635 /nfs/dbraw/zinc/30/36/35/279303635.db2.gz QTQSVUBRBAHMCE-BZUAXINKSA-N 3 1 309.502 1.364 10 30 DDEEMP CC[NH+]1CCC[C@@H]1CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]C ZINC000261988776 279303636 /nfs/dbraw/zinc/30/36/36/279303636.db2.gz QTQSVUBRBAHMCE-BZUAXINKSA-N 3 1 309.502 1.364 10 30 DDEEMP CC[NH+]1CCC[C@@H]1CNC(N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)=[NH+]C ZINC000261988776 279303637 /nfs/dbraw/zinc/30/36/37/279303637.db2.gz QTQSVUBRBAHMCE-BZUAXINKSA-N 3 1 309.502 1.364 10 30 DDEEMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC2CC2)CCC[N@H+]1C1CC1 ZINC000262160150 222273022 /nfs/dbraw/zinc/27/30/22/222273022.db2.gz SKEJXVLVWJUIDU-BLLLJJGKSA-N 2 1 316.453 1.402 10 30 DDEEMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262460773 222281917 /nfs/dbraw/zinc/28/19/17/222281917.db2.gz MKGMYSBFBZDHRR-UONOGXRCSA-N 2 1 318.469 1.268 10 30 DDEEMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261930803 698445479 /nfs/dbraw/zinc/44/54/79/698445479.db2.gz BHTRUZVBQNEBCJ-CBZIJGRNSA-N 2 1 324.513 1.821 10 30 DDEEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000178327434 408805718 /nfs/dbraw/zinc/80/57/18/408805718.db2.gz VWVHUCKESVPGBU-RDJZCZTQSA-N 2 1 315.421 1.464 10 30 DDEEMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000249903683 222242462 /nfs/dbraw/zinc/24/24/62/222242462.db2.gz ULDFUWQZRMELDZ-HUUCEWRRSA-N 2 1 300.406 1.262 10 30 DDEEMP Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)on1 ZINC000328643005 354557811 /nfs/dbraw/zinc/55/78/11/354557811.db2.gz RGKHIKJZQMTLOA-LBPRGKRZSA-N 2 1 303.366 1.962 10 30 DDEEMP Cc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)on1 ZINC000328643005 354557816 /nfs/dbraw/zinc/55/78/16/354557816.db2.gz RGKHIKJZQMTLOA-LBPRGKRZSA-N 2 1 303.366 1.962 10 30 DDEEMP [NH3+]CC#Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cs1 ZINC000093976434 193333037 /nfs/dbraw/zinc/33/30/37/193333037.db2.gz BDMBRPOSCGHURH-AWEZNQCLSA-N 2 1 303.431 1.369 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000177531734 408650460 /nfs/dbraw/zinc/65/04/60/408650460.db2.gz FLWQXLMRYXOCEY-MRXNPFEDSA-N 2 1 308.470 1.763 10 30 DDEEMP CC[NH+]=C(NCc1nccs1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245597148 222217721 /nfs/dbraw/zinc/21/77/21/222217721.db2.gz HSWIBUKDSKVZFO-CHWSQXEVSA-N 2 1 309.483 1.927 10 30 DDEEMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N[C@H]1CCc2cn(C(C)C)nc2C1 ZINC000261994384 275407508 /nfs/dbraw/zinc/40/75/08/275407508.db2.gz SBQVZRCNTNCUKE-ZFWWWQNUSA-N 2 1 320.485 1.436 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000245584930 698335451 /nfs/dbraw/zinc/33/54/51/698335451.db2.gz DPPWYZLLVHMJSB-OWCLPIDISA-N 3 1 309.502 1.222 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245584930 698335454 /nfs/dbraw/zinc/33/54/54/698335454.db2.gz DPPWYZLLVHMJSB-OWCLPIDISA-N 3 1 309.502 1.222 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245584930 698335460 /nfs/dbraw/zinc/33/54/60/698335460.db2.gz DPPWYZLLVHMJSB-OWCLPIDISA-N 3 1 309.502 1.222 10 30 DDEEMP Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)sc1C#CC[NH3+] ZINC000094536791 193378111 /nfs/dbraw/zinc/37/81/11/193378111.db2.gz OECFFGGUQTULCD-ZDUSSCGKSA-N 2 1 305.447 1.390 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262769370 698480112 /nfs/dbraw/zinc/48/01/12/698480112.db2.gz HHHMKISVVYMNTD-NIOBXDJOSA-N 2 1 308.470 1.328 10 30 DDEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178329471 337162060 /nfs/dbraw/zinc/16/20/60/337162060.db2.gz BZKQIIQMZAXTMX-JSGCOSHPSA-N 2 1 319.409 1.056 10 30 DDEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178329471 337162061 /nfs/dbraw/zinc/16/20/61/337162061.db2.gz BZKQIIQMZAXTMX-JSGCOSHPSA-N 2 1 319.409 1.056 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000174776700 407988684 /nfs/dbraw/zinc/98/86/84/407988684.db2.gz MAELUFFPEZCIOP-DLBZAZTESA-N 2 1 320.481 1.905 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000248370052 222234479 /nfs/dbraw/zinc/23/44/79/222234479.db2.gz WZXIXYZRBYLEJV-LSDHHAIUSA-N 2 1 318.469 1.127 10 30 DDEEMP C[N@@H+](CC(=O)Nc1nncs1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328637703 354556245 /nfs/dbraw/zinc/55/62/45/354556245.db2.gz ORVRPLHKYVAPHG-SNVBAGLBSA-N 2 1 306.395 1.517 10 30 DDEEMP C[N@H+](CC(=O)Nc1nncs1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328637703 354556246 /nfs/dbraw/zinc/55/62/46/354556246.db2.gz ORVRPLHKYVAPHG-SNVBAGLBSA-N 2 1 306.395 1.517 10 30 DDEEMP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178310132 408802943 /nfs/dbraw/zinc/80/29/43/408802943.db2.gz RGNNEHPUYMQXDI-HNNXBMFYSA-N 2 1 303.410 1.418 10 30 DDEEMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178310132 408802946 /nfs/dbraw/zinc/80/29/46/408802946.db2.gz RGNNEHPUYMQXDI-HNNXBMFYSA-N 2 1 303.410 1.418 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175580764 697397578 /nfs/dbraw/zinc/39/75/78/697397578.db2.gz WZXIXYZRBYLEJV-GJZGRUSLSA-N 2 1 318.469 1.127 10 30 DDEEMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)N1 ZINC000262641928 222287788 /nfs/dbraw/zinc/28/77/88/222287788.db2.gz HWPWQDQEBNMKOR-DVOMOZLQSA-N 2 1 316.453 1.273 10 30 DDEEMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261944334 698446571 /nfs/dbraw/zinc/44/65/71/698446571.db2.gz FIIGGERUBPYWQV-RBZJEDDUSA-N 2 1 322.497 1.694 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000171600717 407716455 /nfs/dbraw/zinc/71/64/55/407716455.db2.gz OAJVNILDPACNCA-MRXNPFEDSA-N 2 1 308.470 1.810 10 30 DDEEMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515836 222203408 /nfs/dbraw/zinc/20/34/08/222203408.db2.gz FQCVZFAVERMIQS-HUUCEWRRSA-N 2 1 315.421 1.576 10 30 DDEEMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000262625844 222287071 /nfs/dbraw/zinc/28/70/71/222287071.db2.gz DKKIMSXKVPCAOC-XJKSGUPXSA-N 2 1 316.453 1.227 10 30 DDEEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424167195 533746186 /nfs/dbraw/zinc/74/61/86/533746186.db2.gz HAAFHXQPZZJINA-GOEBONIOSA-N 2 1 302.422 1.644 10 30 DDEEMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@H+](CCC#N)C1 ZINC000062047807 184203155 /nfs/dbraw/zinc/20/31/55/184203155.db2.gz VHPZGLAYHIYDMY-INIZCTEOSA-N 2 1 308.470 1.850 10 30 DDEEMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000062047807 184203156 /nfs/dbraw/zinc/20/31/56/184203156.db2.gz VHPZGLAYHIYDMY-INIZCTEOSA-N 2 1 308.470 1.850 10 30 DDEEMP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000178327447 408804665 /nfs/dbraw/zinc/80/46/65/408804665.db2.gz VWVHUCKESVPGBU-WBVHZDCISA-N 2 1 315.421 1.464 10 30 DDEEMP C[NH+]=C(NCCC1CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262804963 222296074 /nfs/dbraw/zinc/29/60/74/222296074.db2.gz SGKIAYFSAMCIHT-ALOPSCKCSA-N 2 1 322.497 1.983 10 30 DDEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178329487 337162109 /nfs/dbraw/zinc/16/21/09/337162109.db2.gz BZKQIIQMZAXTMX-GXTWGEPZSA-N 2 1 319.409 1.056 10 30 DDEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178329487 337162110 /nfs/dbraw/zinc/16/21/10/337162110.db2.gz BZKQIIQMZAXTMX-GXTWGEPZSA-N 2 1 319.409 1.056 10 30 DDEEMP [NH3+]CC#Cc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)s1 ZINC000062943459 184261796 /nfs/dbraw/zinc/26/17/96/184261796.db2.gz FAVDGQPQAHMRTI-CYBMUJFWSA-N 2 1 303.431 1.369 10 30 DDEEMP CCN(CCC#N)C(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515993 222203214 /nfs/dbraw/zinc/20/32/14/222203214.db2.gz XXVSARPDIKBOPR-OAHLLOKOSA-N 2 1 315.421 1.578 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179105874 697433758 /nfs/dbraw/zinc/43/37/58/697433758.db2.gz HVEJKSGNXKMBPF-KBPBESRZSA-N 2 1 324.469 1.320 10 30 DDEEMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043683445 183380110 /nfs/dbraw/zinc/38/01/10/183380110.db2.gz MFVYWIRNPJMBLD-ZDUSSCGKSA-N 2 1 306.431 1.833 10 30 DDEEMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515835 222204175 /nfs/dbraw/zinc/20/41/75/222204175.db2.gz FQCVZFAVERMIQS-LSDHHAIUSA-N 2 1 315.421 1.576 10 30 DDEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246847891 222224904 /nfs/dbraw/zinc/22/49/04/222224904.db2.gz BZKQIIQMZAXTMX-OCCSQVGLSA-N 2 1 319.409 1.056 10 30 DDEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246847891 222224907 /nfs/dbraw/zinc/22/49/07/222224907.db2.gz BZKQIIQMZAXTMX-OCCSQVGLSA-N 2 1 319.409 1.056 10 30 DDEEMP Cc1cc(NS(=O)(=O)c2ccccc2C#CC[NH3+])cc[nH+]1 ZINC000092366004 185313907 /nfs/dbraw/zinc/31/39/07/185313907.db2.gz CSSPIWZNFGRRNC-UHFFFAOYSA-N 2 1 301.371 1.501 10 30 DDEEMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000261983698 222266065 /nfs/dbraw/zinc/26/60/65/222266065.db2.gz JEJLAWLDOSNEEA-CYBMUJFWSA-N 2 1 304.394 1.669 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NC[C@]1(C)CCCC[C@@H]1O)=[NH+]C ZINC000262812952 285233097 /nfs/dbraw/zinc/23/30/97/285233097.db2.gz UWPJNFRIFVACRY-RYRKJORJSA-N 2 1 324.513 1.919 10 30 DDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178313736 408804400 /nfs/dbraw/zinc/80/44/00/408804400.db2.gz ZTSKNIBQBVWMJC-MRXNPFEDSA-N 2 1 302.422 1.857 10 30 DDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178313736 408804402 /nfs/dbraw/zinc/80/44/02/408804402.db2.gz ZTSKNIBQBVWMJC-MRXNPFEDSA-N 2 1 302.422 1.857 10 30 DDEEMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246937755 222225363 /nfs/dbraw/zinc/22/53/63/222225363.db2.gz HKNIQCRIFGJNTG-ZBFHGGJFSA-N 2 1 317.437 1.664 10 30 DDEEMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246937755 222225366 /nfs/dbraw/zinc/22/53/66/222225366.db2.gz HKNIQCRIFGJNTG-ZBFHGGJFSA-N 2 1 317.437 1.664 10 30 DDEEMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC2CCCC2)CCC[N@H+]1C ZINC000262068623 222272155 /nfs/dbraw/zinc/27/21/55/222272155.db2.gz BQGCAXRRCYICCQ-XJKSGUPXSA-N 2 1 318.469 1.650 10 30 DDEEMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)[C@@H]1c1cccnc1 ZINC000263091410 222302508 /nfs/dbraw/zinc/30/25/08/222302508.db2.gz IWTMIKVJALXMDL-GJZGRUSLSA-N 2 1 319.478 1.438 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1sccc1C#CC[NH3+] ZINC000092668931 185332756 /nfs/dbraw/zinc/33/27/56/185332756.db2.gz GGJHXKFZNNZVHB-CQSZACIVSA-N 2 1 305.447 1.615 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261999500 222268291 /nfs/dbraw/zinc/26/82/91/222268291.db2.gz TZINYUQWSXOKJW-VNQPRFMTSA-N 3 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261999500 222268294 /nfs/dbraw/zinc/26/82/94/222268294.db2.gz TZINYUQWSXOKJW-VNQPRFMTSA-N 3 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261999500 222268296 /nfs/dbraw/zinc/26/82/96/222268296.db2.gz TZINYUQWSXOKJW-VNQPRFMTSA-N 3 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261999500 222268297 /nfs/dbraw/zinc/26/82/97/222268297.db2.gz TZINYUQWSXOKJW-VNQPRFMTSA-N 2 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261999500 222268298 /nfs/dbraw/zinc/26/82/98/222268298.db2.gz TZINYUQWSXOKJW-VNQPRFMTSA-N 2 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262824939 222296824 /nfs/dbraw/zinc/29/68/24/222296824.db2.gz TVMVZFIUNBGVQR-OAHLLOKOSA-N 2 1 318.469 1.790 10 30 DDEEMP [NH3+]CC#Cc1ccsc1C[NH+]1CCN(c2nccs2)CC1 ZINC000043683512 183379947 /nfs/dbraw/zinc/37/99/47/183379947.db2.gz VYQZJQNNKAGKHJ-UHFFFAOYSA-N 2 1 318.471 1.837 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179105862 697433843 /nfs/dbraw/zinc/43/38/43/697433843.db2.gz HVEJKSGNXKMBPF-KGLIPLIRSA-N 2 1 324.469 1.320 10 30 DDEEMP CNC(NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C)=[NH+]C ZINC000262096492 698454586 /nfs/dbraw/zinc/45/45/86/698454586.db2.gz HWVILOYKDJSKJX-SWLSCSKDSA-N 2 1 304.442 1.130 10 30 DDEEMP CC[N@H+](CC(=O)Nc1sccc1C#N)CC1CC[NH2+]CC1 ZINC000094025041 193340170 /nfs/dbraw/zinc/34/01/70/193340170.db2.gz OHCIAEZQINPPHL-UHFFFAOYSA-N 2 1 306.435 1.880 10 30 DDEEMP Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)sc1C#CC[NH3+] ZINC000094537033 193378625 /nfs/dbraw/zinc/37/86/25/193378625.db2.gz PYMFDMUKVOQABH-CYBMUJFWSA-N 2 1 303.431 1.287 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000172265071 407816835 /nfs/dbraw/zinc/81/68/35/407816835.db2.gz WIJOQWNCCDSEKY-GOEBONIOSA-N 2 1 306.454 1.515 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261941694 222261988 /nfs/dbraw/zinc/26/19/88/222261988.db2.gz DQXDSIWLAHQDJO-JYJNAYRXSA-N 2 1 318.469 1.436 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262769368 222293917 /nfs/dbraw/zinc/29/39/17/222293917.db2.gz HHHMKISVVYMNTD-IXIBIKRGSA-N 2 1 308.470 1.328 10 30 DDEEMP C[N@@H+](CCNC(=O)c1csc(C#CC[NH3+])c1)C1CCCC1 ZINC000093976467 193333334 /nfs/dbraw/zinc/33/33/34/193333334.db2.gz SWGSSODJNFVFOV-UHFFFAOYSA-N 2 1 305.447 1.663 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]C ZINC000262345648 222276493 /nfs/dbraw/zinc/27/64/93/222276493.db2.gz DFPGXXLZHXRRBX-QKPAOTATSA-N 2 1 322.497 1.791 10 30 DDEEMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NCC2CCC2)CCC[N@H+]1C ZINC000262654202 222288074 /nfs/dbraw/zinc/28/80/74/222288074.db2.gz LCPMIPQSRKVXBK-GOEBONIOSA-N 2 1 318.469 1.507 10 30 DDEEMP C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262849529 222298039 /nfs/dbraw/zinc/29/80/39/222298039.db2.gz ZJWROHQFVGYSMI-AWEZNQCLSA-N 2 1 304.442 1.400 10 30 DDEEMP C=C(Br)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)=[NH+]C ZINC000245637363 222217729 /nfs/dbraw/zinc/21/77/29/222217729.db2.gz RQCUBUJQWZUJDK-ZYHUDNBSSA-N 2 1 317.275 1.789 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1COc2ccc(F)cc21 ZINC000262405715 222279262 /nfs/dbraw/zinc/27/92/62/222279262.db2.gz OMKBTWLEKIWZBA-TZMCWYRMSA-N 2 1 306.385 1.648 10 30 DDEEMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000262655392 297088472 /nfs/dbraw/zinc/08/84/72/297088472.db2.gz LLZZNOZGXCJUKH-KFWWJZLASA-N 2 1 316.449 1.733 10 30 DDEEMP CCOC(=O)[C@@H]1CCC[N@@H+](Cc2sccc2C#CC[NH3+])C1 ZINC000043683446 183379961 /nfs/dbraw/zinc/37/99/61/183379961.db2.gz HJPZCJBIWLEISO-CQSZACIVSA-N 2 1 306.431 1.833 10 30 DDEEMP CC[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245589130 222217194 /nfs/dbraw/zinc/21/71/94/222217194.db2.gz FRJHVJNHHPLECD-CZUORRHYSA-N 2 1 318.469 1.569 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262495163 222284066 /nfs/dbraw/zinc/28/40/66/222284066.db2.gz ZXWUOCCHEOWZOX-XJKSGUPXSA-N 2 1 308.426 1.055 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158278757 278167545 /nfs/dbraw/zinc/16/75/45/278167545.db2.gz KYLRLSUKUNVQRM-HRCADAONSA-N 2 1 310.486 1.839 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000113617977 407519150 /nfs/dbraw/zinc/51/91/50/407519150.db2.gz KZHDZZHBFSTSKV-NVXWUHKLSA-N 2 1 320.481 1.905 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261976664 222267056 /nfs/dbraw/zinc/26/70/56/222267056.db2.gz NVIVAMVODUCEDP-CLWVCHIJSA-N 2 1 308.470 1.185 10 30 DDEEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1sccc1C#CC[NH3+] ZINC000092668933 185332863 /nfs/dbraw/zinc/33/28/63/185332863.db2.gz GGJHXKFZNNZVHB-AWEZNQCLSA-N 2 1 305.447 1.615 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000177531752 408650807 /nfs/dbraw/zinc/65/08/07/408650807.db2.gz FLWQXLMRYXOCEY-INIZCTEOSA-N 2 1 308.470 1.763 10 30 DDEEMP Cc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)sc1C#CC[NH3+] ZINC000094536741 193378724 /nfs/dbraw/zinc/37/87/24/193378724.db2.gz LMWIOIADTCNPIJ-CYBMUJFWSA-N 2 1 305.447 1.533 10 30 DDEEMP C[NH+](C)CCN1C(=O)C[C@H]2[C@H]1CC[N@H+]2Cc1cccc(C#N)c1 ZINC000248058043 257111215 /nfs/dbraw/zinc/11/12/15/257111215.db2.gz YNFATLFBKBESNQ-SJORKVTESA-N 2 1 312.417 1.295 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247181485 408423686 /nfs/dbraw/zinc/42/36/86/408423686.db2.gz KZHDZZHBFSTSKV-RDJZCZTQSA-N 2 1 320.481 1.905 10 30 DDEEMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000177220212 408554383 /nfs/dbraw/zinc/55/43/83/408554383.db2.gz JMHOGDYCCTXQKM-QGZVFWFLSA-N 2 1 314.433 1.528 10 30 DDEEMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262004091 222269668 /nfs/dbraw/zinc/26/96/68/222269668.db2.gz VCOIJYWXKAUUOB-OIISXLGYSA-N 2 1 324.513 1.821 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262470085 222281651 /nfs/dbraw/zinc/28/16/51/222281651.db2.gz OQISDYFYQUEFMZ-HOCLYGCPSA-N 2 1 318.469 1.269 10 30 DDEEMP C=CC[NH+]1CCO[C@H]2C[N@H+](Cc3cccnc3OC)CC[C@H]2C1 ZINC000247825224 257117488 /nfs/dbraw/zinc/11/74/88/257117488.db2.gz FKUIUQRHNCCBFJ-RDJZCZTQSA-N 2 1 317.433 1.799 10 30 DDEEMP C=CC[NH+]1CCO[C@H]2C[N@@H+](Cc3cccnc3OC)CC[C@H]2C1 ZINC000247825224 257117490 /nfs/dbraw/zinc/11/74/90/257117490.db2.gz FKUIUQRHNCCBFJ-RDJZCZTQSA-N 2 1 317.433 1.799 10 30 DDEEMP C=CC[N@@H+]1CCO[C@H]2C[NH+](Cc3cccnc3OC)CC[C@H]2C1 ZINC000247825224 257117491 /nfs/dbraw/zinc/11/74/91/257117491.db2.gz FKUIUQRHNCCBFJ-RDJZCZTQSA-N 2 1 317.433 1.799 10 30 DDEEMP C=CC[N@H+]1CCO[C@H]2C[NH+](Cc3cccnc3OC)CC[C@H]2C1 ZINC000247825224 257117492 /nfs/dbraw/zinc/11/74/92/257117492.db2.gz FKUIUQRHNCCBFJ-RDJZCZTQSA-N 2 1 317.433 1.799 10 30 DDEEMP C[NH+]=C(NCc1nc(C)cs1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245606193 222217326 /nfs/dbraw/zinc/21/73/26/222217326.db2.gz KBJUJFMMSITLNX-DGCLKSJQSA-N 2 1 309.483 1.845 10 30 DDEEMP C[NH+]=C(NCc1scnc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261996684 222268216 /nfs/dbraw/zinc/26/82/16/222268216.db2.gz SQERCTFRHHPPKT-DGCLKSJQSA-N 2 1 309.483 1.845 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262470087 222281690 /nfs/dbraw/zinc/28/16/90/222281690.db2.gz OQISDYFYQUEFMZ-ZBFHGGJFSA-N 2 1 318.469 1.269 10 30 DDEEMP C[N@@H+](CCC(=O)Nc1sccc1C#N)CC1CC[NH2+]CC1 ZINC000094024681 193340414 /nfs/dbraw/zinc/34/04/14/193340414.db2.gz FCRNGSSLQMMUNL-UHFFFAOYSA-N 2 1 306.435 1.880 10 30 DDEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCC(OCC2CC2)CC1 ZINC000261832882 222259059 /nfs/dbraw/zinc/25/90/59/222259059.db2.gz VROUFMNDKCWOTC-OAHLLOKOSA-N 2 1 308.470 1.547 10 30 DDEEMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262460771 222281668 /nfs/dbraw/zinc/28/16/68/222281668.db2.gz MKGMYSBFBZDHRR-KBPBESRZSA-N 2 1 318.469 1.268 10 30 DDEEMP CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261661268 278166664 /nfs/dbraw/zinc/16/66/64/278166664.db2.gz ATFOJTYTWTYPJV-HUUCEWRRSA-N 2 1 310.486 1.575 10 30 DDEEMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1cccnc1 ZINC000263205507 290127168 /nfs/dbraw/zinc/12/71/68/290127168.db2.gz YCYUJLABLMVGTL-HOCLYGCPSA-N 2 1 301.438 1.921 10 30 DDEEMP CC(C)[N@H+]1CC[C@H](CNC(=O)c2csc(C#CC[NH3+])c2)C1 ZINC000093976299 193332870 /nfs/dbraw/zinc/33/28/70/193332870.db2.gz RDGVJFLKYYAYJQ-CYBMUJFWSA-N 2 1 305.447 1.518 10 30 DDEEMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261930805 698445508 /nfs/dbraw/zinc/44/55/08/698445508.db2.gz BHTRUZVBQNEBCJ-DFGXFYAUSA-N 2 1 324.513 1.821 10 30 DDEEMP C[NH+]=C(NCc1c(C)noc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245640298 222217514 /nfs/dbraw/zinc/21/75/14/222217514.db2.gz SFEWPXKEOGKXGP-IAQYHMDHSA-N 2 1 307.442 1.685 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@@](C)(O)c1cc(C)oc1C ZINC000262331254 698464986 /nfs/dbraw/zinc/46/49/86/698464986.db2.gz DZBPQEUHEYDZNK-WMLDXEAASA-N 2 1 322.453 1.363 10 30 DDEEMP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262752428 222290833 /nfs/dbraw/zinc/29/08/33/222290833.db2.gz ADLFWABPQRICDR-OAHLLOKOSA-N 2 1 308.470 1.331 10 30 DDEEMP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262745157 222291420 /nfs/dbraw/zinc/29/14/20/222291420.db2.gz FSLXMRJGPQUGHA-OAHLLOKOSA-N 2 1 318.469 1.373 10 30 DDEEMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262745157 222291423 /nfs/dbraw/zinc/29/14/23/222291423.db2.gz FSLXMRJGPQUGHA-OAHLLOKOSA-N 3 1 318.469 1.373 10 30 DDEEMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262745157 222291425 /nfs/dbraw/zinc/29/14/25/222291425.db2.gz FSLXMRJGPQUGHA-OAHLLOKOSA-N 3 1 318.469 1.373 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)=[NH+]C ZINC000127493311 696771922 /nfs/dbraw/zinc/77/19/22/696771922.db2.gz DFPGXXLZHXRRBX-QXSJWSMHSA-N 2 1 322.497 1.791 10 30 DDEEMP CC[NH+]=C(NCC1CCOCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245624880 222217598 /nfs/dbraw/zinc/21/75/98/222217598.db2.gz OQXWAFHIXYYBAI-GDBMZVCRSA-N 2 1 310.486 1.697 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261999493 222268159 /nfs/dbraw/zinc/26/81/59/222268159.db2.gz TZINYUQWSXOKJW-CWRNSKLLSA-N 3 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261999493 222268162 /nfs/dbraw/zinc/26/81/62/222268162.db2.gz TZINYUQWSXOKJW-CWRNSKLLSA-N 3 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261999493 222268165 /nfs/dbraw/zinc/26/81/65/222268165.db2.gz TZINYUQWSXOKJW-CWRNSKLLSA-N 3 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261999493 222268167 /nfs/dbraw/zinc/26/81/67/222268167.db2.gz TZINYUQWSXOKJW-CWRNSKLLSA-N 2 1 307.486 1.118 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261999493 222268170 /nfs/dbraw/zinc/26/81/70/222268170.db2.gz TZINYUQWSXOKJW-CWRNSKLLSA-N 2 1 307.486 1.118 10 30 DDEEMP C[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261967918 698447934 /nfs/dbraw/zinc/44/79/34/698447934.db2.gz LYJYJZRSKRMEEL-MLGOLLRUSA-N 2 1 320.485 1.431 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@](C)(O)c1ccc(C)o1 ZINC000262495156 222284853 /nfs/dbraw/zinc/28/48/53/222284853.db2.gz ZXWUOCCHEOWZOX-BBRMVZONSA-N 2 1 308.426 1.055 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262767280 222291965 /nfs/dbraw/zinc/29/19/65/222291965.db2.gz JHGJLPFKFKQWLO-HOCLYGCPSA-N 2 1 308.470 1.737 10 30 DDEEMP Cn1c[n+](Cc2ccc(C=NNC(N)=[NH2+])cc2)c2ccccc21 ZINC000005159526 181212066 /nfs/dbraw/zinc/21/20/66/181212066.db2.gz BSMONHTVWVCNEI-KEBDBYFISA-N 2 1 307.381 1.331 10 30 DDEEMP C[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262798750 222294332 /nfs/dbraw/zinc/29/43/32/222294332.db2.gz QJLKZLJLQIIFMY-HNNXBMFYSA-N 2 1 322.497 1.864 10 30 DDEEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424167193 534026377 /nfs/dbraw/zinc/02/63/77/534026377.db2.gz HAAFHXQPZZJINA-GDBMZVCRSA-N 2 1 302.422 1.644 10 30 DDEEMP Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)sc1C#CC[NH3+] ZINC000094536624 193378607 /nfs/dbraw/zinc/37/86/07/193378607.db2.gz XZWUNBSNRGHMPF-ZDUSSCGKSA-N 2 1 305.447 1.581 10 30 DDEEMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000062047806 184203074 /nfs/dbraw/zinc/20/30/74/184203074.db2.gz VHPZGLAYHIYDMY-MRXNPFEDSA-N 2 1 308.470 1.850 10 30 DDEEMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000062047806 184203075 /nfs/dbraw/zinc/20/30/75/184203075.db2.gz VHPZGLAYHIYDMY-MRXNPFEDSA-N 2 1 308.470 1.850 10 30 DDEEMP CCN(CCC#N)C(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000195515994 222203430 /nfs/dbraw/zinc/20/34/30/222203430.db2.gz XXVSARPDIKBOPR-HNNXBMFYSA-N 2 1 315.421 1.578 10 30 DDEEMP C[NH+]=C(NCC1(O)CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262757838 222292443 /nfs/dbraw/zinc/29/24/43/222292443.db2.gz CCWZLLVHAAZVKQ-AWEZNQCLSA-N 2 1 308.470 1.473 10 30 DDEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC[C@H]1C#N ZINC000262793983 222294818 /nfs/dbraw/zinc/29/48/18/222294818.db2.gz OWRSYXLFFWGGPT-GZBFAFLISA-N 2 1 309.483 1.281 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@H]1CCC[N@H+]1C ZINC000174052646 697383467 /nfs/dbraw/zinc/38/34/67/697383467.db2.gz FMEHGADZGBCRFL-JKSUJKDBSA-N 2 1 300.450 1.976 10 30 DDEEMP Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C)sc1C#CC[NH3+] ZINC000094536625 193378162 /nfs/dbraw/zinc/37/81/62/193378162.db2.gz XZWUNBSNRGHMPF-CYBMUJFWSA-N 2 1 305.447 1.581 10 30 DDEEMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178752492 407583527 /nfs/dbraw/zinc/58/35/27/407583527.db2.gz HKNIQCRIFGJNTG-GOEBONIOSA-N 2 1 317.437 1.664 10 30 DDEEMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178752492 407583534 /nfs/dbraw/zinc/58/35/34/407583534.db2.gz HKNIQCRIFGJNTG-GOEBONIOSA-N 2 1 317.437 1.664 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171907557 407790019 /nfs/dbraw/zinc/79/00/19/407790019.db2.gz WWVQOXAAPNVVQO-MRXNPFEDSA-N 2 1 306.454 1.517 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261995289 222267207 /nfs/dbraw/zinc/26/72/07/222267207.db2.gz SFTPQAXYIVBPAR-QXSJWSMHSA-N 2 1 310.486 1.431 10 30 DDEEMP C[NH+]=C(NCC1CCOCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262865294 222297685 /nfs/dbraw/zinc/29/76/85/222297685.db2.gz BZGDGKXQXSGFDW-HNNXBMFYSA-N 2 1 308.470 1.595 10 30 DDEEMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1csc(C)n1 ZINC000261856563 222260489 /nfs/dbraw/zinc/26/04/89/222260489.db2.gz XWLDLSJQBNRJHX-UHFFFAOYSA-N 2 1 306.439 1.664 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000176586446 408398840 /nfs/dbraw/zinc/39/88/40/408398840.db2.gz VHMUIZWEEZGDAM-HOCLYGCPSA-N 2 1 308.470 1.665 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NC[C@]1(C)CCCC[C@H]1O)=[NH+]C ZINC000262812951 279295776 /nfs/dbraw/zinc/29/57/76/279295776.db2.gz UWPJNFRIFVACRY-NUJGCVRESA-N 2 1 324.513 1.919 10 30 DDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(=[NH2+])Nc1ccc(OC)cc1 ZINC000038614124 183004573 /nfs/dbraw/zinc/00/45/73/183004573.db2.gz USFOURJIXLSLPJ-ZDUSSCGKSA-N 3 1 318.425 1.240 10 30 DDEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1CC(C)C)N1CC[C@]2(CCOC2)C1 ZINC000261982591 698448652 /nfs/dbraw/zinc/44/86/52/698448652.db2.gz PFZKVFFZRYJBBA-AEFFLSMTSA-N 2 1 322.497 1.795 10 30 DDEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000179358675 407780734 /nfs/dbraw/zinc/78/07/34/407780734.db2.gz XWQDRTNPTSEQQS-OAHLLOKOSA-N 2 1 303.410 1.418 10 30 DDEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000179358675 407780736 /nfs/dbraw/zinc/78/07/36/407780736.db2.gz XWQDRTNPTSEQQS-OAHLLOKOSA-N 2 1 303.410 1.418 10 30 DDEEMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178752507 279224186 /nfs/dbraw/zinc/22/41/86/279224186.db2.gz HKNIQCRIFGJNTG-GDBMZVCRSA-N 2 1 317.437 1.664 10 30 DDEEMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178752507 279224187 /nfs/dbraw/zinc/22/41/87/279224187.db2.gz HKNIQCRIFGJNTG-GDBMZVCRSA-N 2 1 317.437 1.664 10 30 DDEEMP Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)sc1C#CC[NH3+] ZINC000094537003 193378060 /nfs/dbraw/zinc/37/80/60/193378060.db2.gz QLNYTBLWNLNYQP-ZDUSSCGKSA-N 2 1 305.447 1.533 10 30 DDEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)CCC#N ZINC000178328947 408807385 /nfs/dbraw/zinc/80/73/85/408807385.db2.gz WEKSTXVGVDXRKX-ZFWWWQNUSA-N 2 1 303.410 1.417 10 30 DDEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)CCC#N ZINC000178328947 408807388 /nfs/dbraw/zinc/80/73/88/408807388.db2.gz WEKSTXVGVDXRKX-ZFWWWQNUSA-N 2 1 303.410 1.417 10 30 DDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1COc2ccc(F)cc21 ZINC000262405712 222279027 /nfs/dbraw/zinc/27/90/27/222279027.db2.gz OMKBTWLEKIWZBA-JSGCOSHPSA-N 2 1 306.385 1.648 10 30 DDEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1CC(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000261982594 698448543 /nfs/dbraw/zinc/44/85/43/698448543.db2.gz PFZKVFFZRYJBBA-SJLPKXTDSA-N 2 1 322.497 1.795 10 30 DDEEMP CC[C@@H]1CN(C(=O)c2cc(C)c(C#CC[NH3+])s2)CC[N@@H+]1C ZINC000094536817 193378100 /nfs/dbraw/zinc/37/81/00/193378100.db2.gz WIKOTCUKLYAZNZ-CYBMUJFWSA-N 2 1 305.447 1.533 10 30 DDEEMP CC[C@@H]1CN(C(=O)c2cc(C)c(C#CC[NH3+])s2)CC[N@H+]1C ZINC000094536817 193378102 /nfs/dbraw/zinc/37/81/02/193378102.db2.gz WIKOTCUKLYAZNZ-CYBMUJFWSA-N 2 1 305.447 1.533 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000262727149 222291312 /nfs/dbraw/zinc/29/13/12/222291312.db2.gz ANIRCNQENCXQOS-ZBFHGGJFSA-N 3 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262727149 222291314 /nfs/dbraw/zinc/29/13/14/222291314.db2.gz ANIRCNQENCXQOS-ZBFHGGJFSA-N 3 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262727149 222291317 /nfs/dbraw/zinc/29/13/17/222291317.db2.gz ANIRCNQENCXQOS-ZBFHGGJFSA-N 3 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262727149 222291319 /nfs/dbraw/zinc/29/13/19/222291319.db2.gz ANIRCNQENCXQOS-ZBFHGGJFSA-N 2 1 307.486 1.263 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262727149 222291321 /nfs/dbraw/zinc/29/13/21/222291321.db2.gz ANIRCNQENCXQOS-ZBFHGGJFSA-N 2 1 307.486 1.263 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000262738592 222291503 /nfs/dbraw/zinc/29/15/03/222291503.db2.gz DBAUJQVPIGFHEA-WBVHZDCISA-N 3 1 321.513 1.653 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262738592 222291505 /nfs/dbraw/zinc/29/15/05/222291505.db2.gz DBAUJQVPIGFHEA-WBVHZDCISA-N 3 1 321.513 1.653 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[NH+]1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262738592 222291506 /nfs/dbraw/zinc/29/15/06/222291506.db2.gz DBAUJQVPIGFHEA-WBVHZDCISA-N 3 1 321.513 1.653 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262738592 222291507 /nfs/dbraw/zinc/29/15/07/222291507.db2.gz DBAUJQVPIGFHEA-WBVHZDCISA-N 2 1 321.513 1.653 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262738592 222291509 /nfs/dbraw/zinc/29/15/09/222291509.db2.gz DBAUJQVPIGFHEA-WBVHZDCISA-N 2 1 321.513 1.653 10 30 DDEEMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1cccnc1 ZINC000263114836 222304082 /nfs/dbraw/zinc/30/40/82/222304082.db2.gz LIKLNPOWKLEPCZ-HOTGVXAUSA-N 2 1 301.438 1.779 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113617979 407518851 /nfs/dbraw/zinc/51/88/51/407518851.db2.gz KZHDZZHBFSTSKV-DOTOQJQBSA-N 2 1 320.481 1.905 10 30 DDEEMP C#CC[N@H+](C)CCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711478910 699258363 /nfs/dbraw/zinc/25/83/63/699258363.db2.gz XIEFSHYRTUXSSO-UHFFFAOYSA-N 2 1 309.454 1.834 10 30 DDEEMP C#CC[N@@H+](C)CCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711478910 699258364 /nfs/dbraw/zinc/25/83/64/699258364.db2.gz XIEFSHYRTUXSSO-UHFFFAOYSA-N 2 1 309.454 1.834 10 30 DDEEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000092668924 185332381 /nfs/dbraw/zinc/33/23/81/185332381.db2.gz QPUITJPSIVGBEG-ZDUSSCGKSA-N 2 1 305.447 1.615 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CCC[N@H+]1C ZINC000174052621 697383441 /nfs/dbraw/zinc/38/34/41/697383441.db2.gz FMEHGADZGBCRFL-HOTGVXAUSA-N 2 1 300.450 1.976 10 30 DDEEMP CCNC(=O)N1CCC([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328624521 354549670 /nfs/dbraw/zinc/54/96/70/354549670.db2.gz CLIWDGPKLWRWOC-CYBMUJFWSA-N 2 1 305.426 1.433 10 30 DDEEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093976703 193334098 /nfs/dbraw/zinc/33/40/98/193334098.db2.gz MMISBADIVUOWIQ-AWEZNQCLSA-N 2 1 305.447 1.615 10 30 DDEEMP CCC[NH+]1CCN(C(=O)c2cc(C)c(C#CC[NH3+])s2)CC1 ZINC000094535998 193377597 /nfs/dbraw/zinc/37/75/97/193377597.db2.gz HCQCRFNQIIEDJL-UHFFFAOYSA-N 2 1 305.447 1.535 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000261880503 222260197 /nfs/dbraw/zinc/26/01/97/222260197.db2.gz UFSZDCKSOPCXGJ-GJZGRUSLSA-N 2 1 308.470 1.595 10 30 DDEEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424167196 533745367 /nfs/dbraw/zinc/74/53/67/533745367.db2.gz HAAFHXQPZZJINA-HOCLYGCPSA-N 2 1 302.422 1.644 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000092668922 185332565 /nfs/dbraw/zinc/33/25/65/185332565.db2.gz QPUITJPSIVGBEG-CYBMUJFWSA-N 2 1 305.447 1.615 10 30 DDEEMP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)sc1C#CC[NH3+] ZINC000094536631 193377916 /nfs/dbraw/zinc/37/79/16/193377916.db2.gz ISGNZNPVBUCFOL-LBPRGKRZSA-N 2 1 303.431 1.333 10 30 DDEEMP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000262478568 698471780 /nfs/dbraw/zinc/47/17/80/698471780.db2.gz CQAXZPRDPQOTKC-SWLSCSKDSA-N 2 1 304.442 1.212 10 30 DDEEMP CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043683444 183380599 /nfs/dbraw/zinc/38/05/99/183380599.db2.gz MFVYWIRNPJMBLD-CYBMUJFWSA-N 2 1 306.431 1.833 10 30 DDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178313720 408803586 /nfs/dbraw/zinc/80/35/86/408803586.db2.gz ZTSKNIBQBVWMJC-INIZCTEOSA-N 2 1 302.422 1.857 10 30 DDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178313720 408803590 /nfs/dbraw/zinc/80/35/90/408803590.db2.gz ZTSKNIBQBVWMJC-INIZCTEOSA-N 2 1 302.422 1.857 10 30 DDEEMP C[NH+]=C(NCc1cccn1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262764466 222291867 /nfs/dbraw/zinc/29/18/67/222291867.db2.gz FMHCGFRWPQYDGO-AWEZNQCLSA-N 2 1 303.454 1.707 10 30 DDEEMP Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)sc1C#CC[NH3+] ZINC000094536790 193378551 /nfs/dbraw/zinc/37/85/51/193378551.db2.gz OECFFGGUQTULCD-CYBMUJFWSA-N 2 1 305.447 1.390 10 30 DDEEMP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262757839 222292067 /nfs/dbraw/zinc/29/20/67/222292067.db2.gz CCWZLLVHAAZVKQ-CQSZACIVSA-N 2 1 308.470 1.473 10 30 DDEEMP C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261663493 222253776 /nfs/dbraw/zinc/25/37/76/222253776.db2.gz AZUNIXLAMRFKNR-DZGCQCFKSA-N 2 1 319.453 1.484 10 30 DDEEMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]CCCN2C)[C@@H]1c1ccccc1 ZINC000263215492 222306343 /nfs/dbraw/zinc/30/63/43/222306343.db2.gz ZVIQNXPLJWFSAO-IRXDYDNUSA-N 2 1 316.449 1.730 10 30 DDEEMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]CCCN2C)[C@@H]1c1ccccc1 ZINC000263215492 222306346 /nfs/dbraw/zinc/30/63/46/222306346.db2.gz ZVIQNXPLJWFSAO-IRXDYDNUSA-N 2 1 316.449 1.730 10 30 DDEEMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262323778 222275963 /nfs/dbraw/zinc/27/59/63/222275963.db2.gz SRKIGKGHYJFSEN-AWEZNQCLSA-N 2 1 323.485 1.035 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(C#CC[NH3+])s1 ZINC000094536156 193377381 /nfs/dbraw/zinc/37/73/81/193377381.db2.gz SDXLRGGQSLYFCW-CYBMUJFWSA-N 2 1 305.447 1.581 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000106340827 194198616 /nfs/dbraw/zinc/19/86/16/194198616.db2.gz JCEUUWKTBFUKOV-QGZVFWFLSA-N 2 1 320.481 1.907 10 30 DDEEMP CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261646982 222252573 /nfs/dbraw/zinc/25/25/73/222252573.db2.gz DSQWFWLOQNZGII-LSDHHAIUSA-N 2 1 308.470 1.405 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171907558 407794156 /nfs/dbraw/zinc/79/41/56/407794156.db2.gz WWVQOXAAPNVVQO-INIZCTEOSA-N 2 1 306.454 1.517 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@@](C)(O)c1ccsc1 ZINC000262479122 222282773 /nfs/dbraw/zinc/28/27/73/222282773.db2.gz HSVMTMLRNDIFMK-DZGCQCFKSA-N 2 1 310.467 1.215 10 30 DDEEMP CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158494740 278166472 /nfs/dbraw/zinc/16/64/72/278166472.db2.gz ATFOJTYTWTYPJV-LSDHHAIUSA-N 2 1 310.486 1.575 10 30 DDEEMP C[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261991067 222268372 /nfs/dbraw/zinc/26/83/72/222268372.db2.gz RHYGJWDVQGEKJU-HUUCEWRRSA-N 2 1 310.486 1.575 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@](C)(O)c1cc(C)oc1C ZINC000262331256 698464990 /nfs/dbraw/zinc/46/49/90/698464990.db2.gz DZBPQEUHEYDZNK-YOEHRIQHSA-N 2 1 322.453 1.363 10 30 DDEEMP [NH3+]CC#Cc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000093976433 193332724 /nfs/dbraw/zinc/33/27/24/193332724.db2.gz BDMBRPOSCGHURH-CQSZACIVSA-N 2 1 303.431 1.369 10 30 DDEEMP CC[N@@H+]1CCN(C(=O)c2cc(C)c(C#CC[NH3+])s2)C[C@@H]1C ZINC000094536815 193378377 /nfs/dbraw/zinc/37/83/77/193378377.db2.gz KSLYLNCKUJPUFS-ZDUSSCGKSA-N 2 1 305.447 1.533 10 30 DDEEMP CC[N@H+]1CCN(C(=O)c2cc(C)c(C#CC[NH3+])s2)C[C@@H]1C ZINC000094536815 193378379 /nfs/dbraw/zinc/37/83/79/193378379.db2.gz KSLYLNCKUJPUFS-ZDUSSCGKSA-N 2 1 305.447 1.533 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC(=[NH2+])Nc1ccc(OC)cc1 ZINC000038614121 183004522 /nfs/dbraw/zinc/00/45/22/183004522.db2.gz USFOURJIXLSLPJ-CYBMUJFWSA-N 3 1 318.425 1.240 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262760260 222291845 /nfs/dbraw/zinc/29/18/45/222291845.db2.gz CZKXIUFDHSGRJR-DZKIICNBSA-N 2 1 308.470 1.329 10 30 DDEEMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261948093 222263452 /nfs/dbraw/zinc/26/34/52/222263452.db2.gz GLZDCKZJLSSQMG-HZPDHXFCSA-N 3 1 323.529 1.755 10 30 DDEEMP C[NH+]=C(NC[C@@H](O)C(F)(F)F)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262823668 698480825 /nfs/dbraw/zinc/48/08/25/698480825.db2.gz ZBFYHDSQYACATC-FGNRJIRKSA-N 2 1 322.375 1.090 10 30 DDEEMP [NH3+]CC#Cc1ccsc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094443492 193369776 /nfs/dbraw/zinc/36/97/76/193369776.db2.gz JMISSYIRKGLKMA-CQSZACIVSA-N 2 1 303.431 1.369 10 30 DDEEMP [NH3+]CC#Cc1ccsc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094443492 193369778 /nfs/dbraw/zinc/36/97/78/193369778.db2.gz JMISSYIRKGLKMA-CQSZACIVSA-N 2 1 303.431 1.369 10 30 DDEEMP Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)sc1C#CC[NH3+] ZINC000094536623 193378503 /nfs/dbraw/zinc/37/85/03/193378503.db2.gz JTMJAFKFZIFOIN-CYBMUJFWSA-N 2 1 305.447 1.438 10 30 DDEEMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261944329 222262282 /nfs/dbraw/zinc/26/22/82/222262282.db2.gz FIIGGERUBPYWQV-AALSBFMBSA-N 2 1 322.497 1.694 10 30 DDEEMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1C[NH+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000158258853 279303582 /nfs/dbraw/zinc/30/35/82/279303582.db2.gz QTQSVUBRBAHMCE-ARFHVFGLSA-N 3 1 309.502 1.364 10 30 DDEEMP CC[NH+]1CCC[C@@H]1CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000158258853 279303584 /nfs/dbraw/zinc/30/35/84/279303584.db2.gz QTQSVUBRBAHMCE-ARFHVFGLSA-N 3 1 309.502 1.364 10 30 DDEEMP CC[NH+]1CCC[C@@H]1CNC(N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000158258853 279303586 /nfs/dbraw/zinc/30/35/86/279303586.db2.gz QTQSVUBRBAHMCE-ARFHVFGLSA-N 3 1 309.502 1.364 10 30 DDEEMP Cc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)sc1C#CC[NH3+] ZINC000094536819 193377935 /nfs/dbraw/zinc/37/79/35/193377935.db2.gz BEAMYHKISVDRAO-UHFFFAOYSA-N 2 1 305.447 1.533 10 30 DDEEMP Cc1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)sc1C#CC[NH3+] ZINC000094536819 193377936 /nfs/dbraw/zinc/37/79/36/193377936.db2.gz BEAMYHKISVDRAO-UHFFFAOYSA-N 2 1 305.447 1.533 10 30 DDEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000171739977 407755586 /nfs/dbraw/zinc/75/55/86/407755586.db2.gz MVIHKGYATNHEAR-INIZCTEOSA-N 2 1 306.454 1.517 10 30 DDEEMP C[C@@H]1C[N@H+](Cc2ccccc2CNC2=[NH+]CCN2C)C[C@H](C)O1 ZINC000262667068 222288773 /nfs/dbraw/zinc/28/87/73/222288773.db2.gz PEAJCKSDKZRNJV-GASCZTMLSA-N 2 1 316.449 1.687 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262817358 222297242 /nfs/dbraw/zinc/29/72/42/222297242.db2.gz WZHVKKUFXRPGQC-CTASWTNQSA-N 2 1 308.470 1.328 10 30 DDEEMP [NH3+]CC#Cc1ccsc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094443493 193369399 /nfs/dbraw/zinc/36/93/99/193369399.db2.gz JMISSYIRKGLKMA-AWEZNQCLSA-N 2 1 303.431 1.369 10 30 DDEEMP [NH3+]CC#Cc1ccsc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000094443493 193369401 /nfs/dbraw/zinc/36/94/01/193369401.db2.gz JMISSYIRKGLKMA-AWEZNQCLSA-N 2 1 303.431 1.369 10 30 DDEEMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043690828 183381434 /nfs/dbraw/zinc/38/14/34/183381434.db2.gz YWTLKFNMEAOOPK-AWEZNQCLSA-N 2 1 306.431 1.833 10 30 DDEEMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)Cc1csc(C)n1 ZINC000155689265 221664176 /nfs/dbraw/zinc/66/41/76/221664176.db2.gz NMNOTUHSWYWOBZ-ZDUSSCGKSA-N 2 1 321.494 1.943 10 30 DDEEMP C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245589773 222217715 /nfs/dbraw/zinc/21/77/15/222217715.db2.gz FYDSEIKMOAFIQM-IUODEOHRSA-N 2 1 304.442 1.179 10 30 DDEEMP C[NH+]=C(NCCn1cc(C)cn1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262777681 222293000 /nfs/dbraw/zinc/29/30/00/222293000.db2.gz KMEHXKIWJWIUSO-MQVJKMGUSA-N 2 1 318.469 1.372 10 30 DDEEMP CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262777952 222293192 /nfs/dbraw/zinc/29/31/92/222293192.db2.gz KCBSOGFAQCSJAX-UCHQMPSGSA-N 2 1 322.497 1.718 10 30 DDEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000179358668 407778026 /nfs/dbraw/zinc/77/80/26/407778026.db2.gz XWQDRTNPTSEQQS-HNNXBMFYSA-N 2 1 303.410 1.418 10 30 DDEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000179358668 407778031 /nfs/dbraw/zinc/77/80/31/407778031.db2.gz XWQDRTNPTSEQQS-HNNXBMFYSA-N 2 1 303.410 1.418 10 30 DDEEMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247181499 222228033 /nfs/dbraw/zinc/22/80/33/222228033.db2.gz KZHDZZHBFSTSKV-WBVHZDCISA-N 2 1 320.481 1.905 10 30 DDEEMP C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261937299 222262136 /nfs/dbraw/zinc/26/21/36/222262136.db2.gz CSCANYRIYJPXJW-BXUZGUMPSA-N 2 1 309.483 1.845 10 30 DDEEMP