smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209266848 1013139785 /nfs/dbraw/zinc/13/97/85/1013139785.db2.gz DTNBUFHONOVSAF-WDSOQIARSA-N 2 1 316.514 3.694 20 30 DHEDMP C#CCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209266848 1013139791 /nfs/dbraw/zinc/13/97/91/1013139791.db2.gz DTNBUFHONOVSAF-WDSOQIARSA-N 2 1 316.514 3.694 20 30 DHEDMP C#CCCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001209268056 1013142953 /nfs/dbraw/zinc/14/29/53/1013142953.db2.gz RLVNWNLVCMDZTQ-UHFFFAOYSA-N 2 1 310.485 3.778 20 30 DHEDMP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000521817684 1014809577 /nfs/dbraw/zinc/80/95/77/1014809577.db2.gz LKEUJQAUIADFEC-HDICACEKSA-N 2 1 316.489 3.709 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891611338 1015446022 /nfs/dbraw/zinc/44/60/22/1015446022.db2.gz KZRZSFUEFBLVBJ-UHFFFAOYSA-N 2 1 305.491 3.564 20 30 DHEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCCC)cc2C)CC1 ZINC000657352181 1016407150 /nfs/dbraw/zinc/40/71/50/1016407150.db2.gz DDOIZMYYCZJPFE-UHFFFAOYSA-N 2 1 302.462 3.524 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065512 1017230570 /nfs/dbraw/zinc/23/05/70/1017230570.db2.gz XBRHIXMSESPCCW-RCLSDMTESA-N 2 1 310.485 3.773 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065512 1017230574 /nfs/dbraw/zinc/23/05/74/1017230574.db2.gz XBRHIXMSESPCCW-RCLSDMTESA-N 2 1 310.485 3.773 20 30 DHEDMP C#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065512 1017230586 /nfs/dbraw/zinc/23/05/86/1017230586.db2.gz XBRHIXMSESPCCW-RCLSDMTESA-N 2 1 310.485 3.773 20 30 DHEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065512 1017230595 /nfs/dbraw/zinc/23/05/95/1017230595.db2.gz XBRHIXMSESPCCW-RCLSDMTESA-N 2 1 310.485 3.773 20 30 DHEDMP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000067507099 1017366737 /nfs/dbraw/zinc/36/67/37/1017366737.db2.gz ZDILQHGZYNVWRB-NRFANRHFSA-N 2 1 319.452 3.560 20 30 DHEDMP C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444674379 1017625843 /nfs/dbraw/zinc/62/58/43/1017625843.db2.gz PBZOBQYMTQEOAO-DLBZAZTESA-N 2 1 305.510 3.949 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000245572355 1018230165 /nfs/dbraw/zinc/23/01/65/1018230165.db2.gz YEPKJMVPFGCBGW-CVEARBPZSA-N 2 1 317.502 3.706 20 30 DHEDMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000765013044 1018447948 /nfs/dbraw/zinc/44/79/48/1018447948.db2.gz GQCNKDWDUMTYRI-OXJNMPFZSA-N 2 1 311.473 3.691 20 30 DHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000527377583 1018567096 /nfs/dbraw/zinc/56/70/96/1018567096.db2.gz YJWOTXDSVJKIOE-UHFFFAOYSA-N 2 1 319.880 3.764 20 30 DHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000131780216 1018759200 /nfs/dbraw/zinc/75/92/00/1018759200.db2.gz ROXBJPRQNQBNJS-MJGOQNOKSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000131780216 1018759215 /nfs/dbraw/zinc/75/92/15/1018759215.db2.gz ROXBJPRQNQBNJS-MJGOQNOKSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000131780216 1018759227 /nfs/dbraw/zinc/75/92/27/1018759227.db2.gz ROXBJPRQNQBNJS-MJGOQNOKSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000131780216 1018759243 /nfs/dbraw/zinc/75/92/43/1018759243.db2.gz ROXBJPRQNQBNJS-MJGOQNOKSA-N 2 1 313.489 3.911 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000177916265 1020600052 /nfs/dbraw/zinc/60/00/52/1020600052.db2.gz GDHYCWDGTJDIFR-QGZVFWFLSA-N 2 1 320.477 3.993 20 30 DHEDMP C[C@@H](CCNCc1ccc(C#N)s1)[N@@H+](C)Cc1ccccc1 ZINC000176981008 1021189672 /nfs/dbraw/zinc/18/96/72/1021189672.db2.gz DOJJKIMNRWMOLA-HNNXBMFYSA-N 2 1 313.470 3.620 20 30 DHEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)[N@H+](C)Cc1ccccc1 ZINC000176981008 1021189677 /nfs/dbraw/zinc/18/96/77/1021189677.db2.gz DOJJKIMNRWMOLA-HNNXBMFYSA-N 2 1 313.470 3.620 20 30 DHEDMP C#C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172084377 1032982349 /nfs/dbraw/zinc/98/23/49/1032982349.db2.gz WWLYMGHWJLMPKR-UVUJQTEASA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172084377 1032982363 /nfs/dbraw/zinc/98/23/63/1032982363.db2.gz WWLYMGHWJLMPKR-UVUJQTEASA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172084377 1032982378 /nfs/dbraw/zinc/98/23/78/1032982378.db2.gz WWLYMGHWJLMPKR-UVUJQTEASA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172084377 1032982390 /nfs/dbraw/zinc/98/23/90/1032982390.db2.gz WWLYMGHWJLMPKR-UVUJQTEASA-N 2 1 322.496 3.917 20 30 DHEDMP C#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064465 1032988661 /nfs/dbraw/zinc/98/86/61/1032988661.db2.gz BKLVRPFVKNFJOY-MZADTFQBSA-N 2 1 310.485 3.965 20 30 DHEDMP C#CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064467 1032989421 /nfs/dbraw/zinc/98/94/21/1032989421.db2.gz BKLVRPFVKNFJOY-WKCHPHFGSA-N 2 1 310.485 3.965 20 30 DHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001172130616 1032999474 /nfs/dbraw/zinc/99/94/74/1032999474.db2.gz QPGYHNRUVRVVNK-WKCHPHFGSA-N 2 1 323.484 3.753 20 30 DHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001172130616 1032999489 /nfs/dbraw/zinc/99/94/89/1032999489.db2.gz QPGYHNRUVRVVNK-WKCHPHFGSA-N 2 1 323.484 3.753 20 30 DHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136232 1021923816 /nfs/dbraw/zinc/92/38/16/1021923816.db2.gz ZFPGAUMGNJBIBU-FXAWDEMLSA-N 2 1 319.452 3.731 20 30 DHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N(CC[NH3+])c2cccnc2)cc1 ZINC001168838796 1022148257 /nfs/dbraw/zinc/14/82/57/1022148257.db2.gz OKOVIARSRPKFKJ-FQEVSTJZSA-N 2 1 322.456 3.501 20 30 DHEDMP C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205329 1022620303 /nfs/dbraw/zinc/62/03/03/1022620303.db2.gz CSMDFEPETLPJTK-UGKGYDQZSA-N 2 1 318.464 3.538 20 30 DHEDMP C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205329 1022620309 /nfs/dbraw/zinc/62/03/09/1022620309.db2.gz CSMDFEPETLPJTK-UGKGYDQZSA-N 2 1 318.464 3.538 20 30 DHEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510694 1033090901 /nfs/dbraw/zinc/09/09/01/1033090901.db2.gz DKDARDXSGSEJTH-JKSUJKDBSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510694 1033090905 /nfs/dbraw/zinc/09/09/05/1033090905.db2.gz DKDARDXSGSEJTH-JKSUJKDBSA-N 2 1 317.452 3.716 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000695865961 1023037628 /nfs/dbraw/zinc/03/76/28/1023037628.db2.gz VYGQEWQEKJGIMD-YLJYHZDGSA-N 2 1 313.489 3.817 20 30 DHEDMP C=CC[C@H]1CC[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000651716416 1023485995 /nfs/dbraw/zinc/48/59/95/1023485995.db2.gz XGYKEPSJEZWGGJ-ROUUACIJSA-N 2 1 320.521 3.744 20 30 DHEDMP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121531 1024179521 /nfs/dbraw/zinc/17/95/21/1024179521.db2.gz MWXFNPDDBDLARJ-HUYLIWGRSA-N 2 1 311.473 3.819 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001172480657 1033192157 /nfs/dbraw/zinc/19/21/57/1033192157.db2.gz WNFWSRSCVIWHDY-BTHPGYMESA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H](CCCC#N)[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486494 1033197735 /nfs/dbraw/zinc/19/77/35/1033197735.db2.gz FMYYDZNQJYRIND-SZMVWBNQSA-N 2 1 317.452 3.980 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172486131 1033198568 /nfs/dbraw/zinc/19/85/68/1033198568.db2.gz ZDDCGTDNLCZVGW-AFYVEPGGSA-N 2 1 311.473 3.854 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453106324 1024333764 /nfs/dbraw/zinc/33/37/64/1024333764.db2.gz IQUXIXKJWDCGKQ-XUVXKRRUSA-N 2 1 311.473 3.713 20 30 DHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172498292 1033228382 /nfs/dbraw/zinc/22/83/82/1033228382.db2.gz LCNPGHAYNINKEI-RLLQIKCJSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172498292 1033228387 /nfs/dbraw/zinc/22/83/87/1033228387.db2.gz LCNPGHAYNINKEI-RLLQIKCJSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172498292 1033228396 /nfs/dbraw/zinc/22/83/96/1033228396.db2.gz LCNPGHAYNINKEI-RLLQIKCJSA-N 2 1 311.473 3.523 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000350561128 1024828512 /nfs/dbraw/zinc/82/85/12/1024828512.db2.gz RIPYSVYCAGXSBZ-YZDRJCRTSA-N 2 1 323.484 3.607 20 30 DHEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135212939 1033265651 /nfs/dbraw/zinc/26/56/51/1033265651.db2.gz DUTMXTTXXFOHIU-UHFFFAOYSA-N 2 1 313.489 3.794 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168622 1025792541 /nfs/dbraw/zinc/79/25/41/1025792541.db2.gz MMOLJBZWBARMLR-SFHVURJKSA-N 2 1 313.489 3.651 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168622 1025792555 /nfs/dbraw/zinc/79/25/55/1025792555.db2.gz MMOLJBZWBARMLR-SFHVURJKSA-N 2 1 313.489 3.651 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362722541 1027359210 /nfs/dbraw/zinc/35/92/10/1027359210.db2.gz FEYVNZXZBCGLAI-WOJBJXKFSA-N 2 1 322.456 3.744 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362722541 1027359216 /nfs/dbraw/zinc/35/92/16/1027359216.db2.gz FEYVNZXZBCGLAI-WOJBJXKFSA-N 2 1 322.456 3.744 20 30 DHEDMP CC1CCC([NH+]2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CC1 ZINC000369002669 1028433846 /nfs/dbraw/zinc/43/38/46/1028433846.db2.gz KXVQMJIXZDLHEE-UHFFFAOYSA-N 2 1 311.473 3.691 20 30 DHEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449294951 1028517498 /nfs/dbraw/zinc/51/74/98/1028517498.db2.gz OIZIPBQGKRQTRP-HDYDNRTBSA-N 2 1 311.473 3.571 20 30 DHEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000449303100 1028525253 /nfs/dbraw/zinc/52/52/53/1028525253.db2.gz WZMCJKFYNKGPER-AVAKVYKDSA-N 2 1 303.494 3.846 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000815652553 1028594792 /nfs/dbraw/zinc/59/47/92/1028594792.db2.gz HVJGCOLGRMJXTD-ZDUSSCGKSA-N 2 1 312.429 3.607 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000815652553 1028594802 /nfs/dbraw/zinc/59/48/02/1028594802.db2.gz HVJGCOLGRMJXTD-ZDUSSCGKSA-N 2 1 312.429 3.607 20 30 DHEDMP N#CC1(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000411397537 1029121059 /nfs/dbraw/zinc/12/10/59/1029121059.db2.gz HUSBFWYJLAVMQO-IEBWSBKVSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CC1(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000411397537 1029121067 /nfs/dbraw/zinc/12/10/67/1029121067.db2.gz HUSBFWYJLAVMQO-IEBWSBKVSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374018901 1029187526 /nfs/dbraw/zinc/18/75/26/1029187526.db2.gz QAMFEMIYOPYMCB-HSALFYBXSA-N 2 1 323.484 3.571 20 30 DHEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CC(C)(C)CCC#N)CC2)C1CC1 ZINC000374284311 1029272206 /nfs/dbraw/zinc/27/22/06/1029272206.db2.gz SVNAEAFIHVPNCQ-MRXNPFEDSA-N 2 1 303.494 3.513 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926614842 1030826783 /nfs/dbraw/zinc/82/67/83/1030826783.db2.gz LRMHLNQUDCINRR-RZQVSUQPSA-N 2 1 323.484 3.854 20 30 DHEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360656758 1031506486 /nfs/dbraw/zinc/50/64/86/1031506486.db2.gz KGXWGTVCDWXZLR-QRWLVFNGSA-N 2 1 322.456 3.757 20 30 DHEDMP N#CC1(CCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000929718277 1031589501 /nfs/dbraw/zinc/58/95/01/1031589501.db2.gz DJSLQZHKWVBDRC-SFHVURJKSA-N 2 1 303.494 3.658 20 30 DHEDMP C[NH+]1CCC2(CCC[N@@H+](CCCCC3(C#N)CCC3)C2)CC1 ZINC000930309998 1031775407 /nfs/dbraw/zinc/77/54/07/1031775407.db2.gz PZEQFDPXSAJOEK-UHFFFAOYSA-N 2 1 303.494 3.658 20 30 DHEDMP CCCCCCCC[C@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001173309745 1033662237 /nfs/dbraw/zinc/66/22/37/1033662237.db2.gz KJDQQAGZCNWHCD-SFHVURJKSA-N 2 1 312.542 3.952 20 30 DHEDMP CCCCCCCC[C@@H](CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173308605 1033663696 /nfs/dbraw/zinc/66/36/96/1033663696.db2.gz BKWJULXNMHNOBY-IAGOWNOFSA-N 2 1 309.498 3.837 20 30 DHEDMP C=CCOC1CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173318751 1033712192 /nfs/dbraw/zinc/71/21/92/1033712192.db2.gz KIXFLEWKPLBMKM-VHQLZKCGSA-N 2 1 306.494 3.625 20 30 DHEDMP CC1(C#N)CCC(N2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173591950 1033781572 /nfs/dbraw/zinc/78/15/72/1033781572.db2.gz ZZDKTGNOBSGZHM-UHFFFAOYSA-N 2 1 315.436 3.548 20 30 DHEDMP CC1(C#N)CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173600308 1033786618 /nfs/dbraw/zinc/78/66/18/1033786618.db2.gz YZZKVWAPGGNDMR-WHSGIHJSSA-N 2 1 323.484 3.523 20 30 DHEDMP CC1(C#N)CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173600308 1033786635 /nfs/dbraw/zinc/78/66/35/1033786635.db2.gz YZZKVWAPGGNDMR-WHSGIHJSSA-N 2 1 323.484 3.523 20 30 DHEDMP CC1(C#N)CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173600308 1033786657 /nfs/dbraw/zinc/78/66/57/1033786657.db2.gz YZZKVWAPGGNDMR-WHSGIHJSSA-N 2 1 323.484 3.523 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339211 1034842140 /nfs/dbraw/zinc/84/21/40/1034842140.db2.gz ACZPYAAOUGFQFV-UWJYYQICSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339211 1034842146 /nfs/dbraw/zinc/84/21/46/1034842146.db2.gz ACZPYAAOUGFQFV-UWJYYQICSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339209 1034842687 /nfs/dbraw/zinc/84/26/87/1034842687.db2.gz ACZPYAAOUGFQFV-UTKZUKDTSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339209 1034842701 /nfs/dbraw/zinc/84/27/01/1034842701.db2.gz ACZPYAAOUGFQFV-UTKZUKDTSA-N 2 1 319.452 3.701 20 30 DHEDMP C#CC[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001176070156 1035190774 /nfs/dbraw/zinc/19/07/74/1035190774.db2.gz NCVSIZOXIVGRPE-QFIPXVFZSA-N 2 1 324.512 3.676 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000541282979 1036283965 /nfs/dbraw/zinc/28/39/65/1036283965.db2.gz ROMNBRHBDBBLNE-UHFFFAOYSA-N 2 1 313.489 3.697 20 30 DHEDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000271965102 1036798625 /nfs/dbraw/zinc/79/86/25/1036798625.db2.gz VIUKHMNIAOZFBI-GFCCVEGCSA-N 2 1 303.425 3.657 20 30 DHEDMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000488275947 1036943064 /nfs/dbraw/zinc/94/30/64/1036943064.db2.gz CFGYTWCTMMQECB-VQIMIIECSA-N 2 1 311.473 3.609 20 30 DHEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC001199336623 1037240315 /nfs/dbraw/zinc/24/03/15/1037240315.db2.gz SWWDORMHFZGJRR-SFHVURJKSA-N 2 1 313.489 3.919 20 30 DHEDMP CCCCCCCCC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001201852760 1037909050 /nfs/dbraw/zinc/90/90/50/1037909050.db2.gz KDEUBARIPUKDLQ-UHFFFAOYSA-N 2 1 323.569 3.696 20 30 DHEDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404488 1039448217 /nfs/dbraw/zinc/44/82/17/1039448217.db2.gz YQPUPFCLRJEBQH-DQLDELGASA-N 2 1 319.452 3.554 20 30 DHEDMP N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595622491 1040195658 /nfs/dbraw/zinc/19/56/58/1040195658.db2.gz BJCABFMZFTXZNR-SFHVURJKSA-N 2 1 311.473 3.798 20 30 DHEDMP N#CC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595623220 1040196359 /nfs/dbraw/zinc/19/63/59/1040196359.db2.gz KFQLSHMISIBURT-SFHVURJKSA-N 2 1 311.473 3.798 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000602515548 1041066419 /nfs/dbraw/zinc/06/64/19/1041066419.db2.gz PIYZUKLSEVTLKG-ROUUACIJSA-N 2 1 313.489 3.948 20 30 DHEDMP N#CCC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000602786955 1041213975 /nfs/dbraw/zinc/21/39/75/1041213975.db2.gz MZPKWHUBPBAVGD-WOJBJXKFSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000602786955 1041213986 /nfs/dbraw/zinc/21/39/86/1041213986.db2.gz MZPKWHUBPBAVGD-WOJBJXKFSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000602786955 1041214005 /nfs/dbraw/zinc/21/40/05/1041214005.db2.gz MZPKWHUBPBAVGD-WOJBJXKFSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000602786955 1041214024 /nfs/dbraw/zinc/21/40/24/1041214024.db2.gz MZPKWHUBPBAVGD-WOJBJXKFSA-N 2 1 323.484 3.667 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000152994267 332332337 /nfs/dbraw/zinc/33/23/37/332332337.db2.gz DCWMIEFXLDBWNL-HNNXBMFYSA-N 2 1 317.433 3.594 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccccc2F)CC1 ZINC000152993501 332333149 /nfs/dbraw/zinc/33/31/49/332333149.db2.gz BUQHGRKRVLVUNK-INIZCTEOSA-N 2 1 304.453 3.777 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc(OC)c2)CC1 ZINC000152959440 332337350 /nfs/dbraw/zinc/33/73/50/332337350.db2.gz GZOHDFMCBDPOTR-LJQANCHMSA-N 2 1 302.462 3.776 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000153011724 332338451 /nfs/dbraw/zinc/33/84/51/332338451.db2.gz KSKJVZYDUZKJMM-GOSISDBHSA-N 2 1 300.446 3.530 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000153014798 332338828 /nfs/dbraw/zinc/33/88/28/332338828.db2.gz YAMUWCLVNJMQOT-KRWDZBQOSA-N 2 1 324.472 3.563 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2)CC1 ZINC000153052569 332339513 /nfs/dbraw/zinc/33/95/13/332339513.db2.gz JWDVKMWCEQSQJR-INIZCTEOSA-N 2 1 304.453 3.777 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000295238265 335131298 /nfs/dbraw/zinc/13/12/98/335131298.db2.gz SLTHVTSIOAKULJ-CQSZACIVSA-N 2 1 308.416 3.698 20 30 DHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161522246 334890337 /nfs/dbraw/zinc/89/03/37/334890337.db2.gz IAAWMEQRLMJPKJ-CQSZACIVSA-N 2 1 308.853 3.563 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532515395 336253107 /nfs/dbraw/zinc/25/31/07/336253107.db2.gz UDIPOEMFKNDPHA-GOSISDBHSA-N 2 1 304.865 3.957 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000532563567 336255669 /nfs/dbraw/zinc/25/56/69/336255669.db2.gz DFZPKVVLMVODRQ-PKOBYXMFSA-N 2 1 317.452 3.688 20 30 DHEDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367804572 336829975 /nfs/dbraw/zinc/82/99/75/336829975.db2.gz VAWVQGOXTOPRQF-MRXNPFEDSA-N 2 1 319.452 3.970 20 30 DHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515177 337074948 /nfs/dbraw/zinc/07/49/48/337074948.db2.gz FXHWLNLYEQABJS-ORYQWCPZSA-N 2 1 319.452 3.902 20 30 DHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000116367472 337392689 /nfs/dbraw/zinc/39/26/89/337392689.db2.gz VWUQGBABDIYOCO-QGZVFWFLSA-N 2 1 319.452 3.873 20 30 DHEDMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421356943 337525848 /nfs/dbraw/zinc/52/58/48/337525848.db2.gz YVBMVJFHPQWURB-RDTXWAMCSA-N 2 1 317.502 3.752 20 30 DHEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000482158633 339625034 /nfs/dbraw/zinc/62/50/34/339625034.db2.gz TVTORKDGFCOOBR-APWZRJJASA-N 2 1 317.452 3.688 20 30 DHEDMP C=CC[NH+]1CCC([NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000513506563 340411340 /nfs/dbraw/zinc/41/13/40/340411340.db2.gz RDCOMZWGGLQBAE-FYWRMAATSA-N 2 1 304.865 3.983 20 30 DHEDMP C=CCOc1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000236629321 340663191 /nfs/dbraw/zinc/66/31/91/340663191.db2.gz IEZMHVUWFKAGSC-UHFFFAOYSA-N 2 1 302.462 3.650 20 30 DHEDMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000549191365 341288530 /nfs/dbraw/zinc/28/85/30/341288530.db2.gz NWPWVZGARAFLOL-PXNSSMCTSA-N 2 1 324.472 3.594 20 30 DHEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000549191365 341288531 /nfs/dbraw/zinc/28/85/31/341288531.db2.gz NWPWVZGARAFLOL-PXNSSMCTSA-N 2 1 324.472 3.594 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000153060495 341522763 /nfs/dbraw/zinc/52/27/63/341522763.db2.gz KKLBYWZMQFUQRP-KUHUBIRLSA-N 2 1 302.437 3.689 20 30 DHEDMP N#Cc1csc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177708984 1014022147 /nfs/dbraw/zinc/02/21/47/1014022147.db2.gz GCDRHHBTUKRJTF-UHFFFAOYSA-N 2 1 303.475 3.506 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413613 1014611312 /nfs/dbraw/zinc/61/13/12/1014611312.db2.gz UXNVFKDEIRPUDW-FUHWJXTLSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413613 1014611314 /nfs/dbraw/zinc/61/13/14/1014611314.db2.gz UXNVFKDEIRPUDW-FUHWJXTLSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413613 1014611320 /nfs/dbraw/zinc/61/13/20/1014611320.db2.gz UXNVFKDEIRPUDW-FUHWJXTLSA-N 2 1 313.489 3.792 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442710953 1014720914 /nfs/dbraw/zinc/72/09/14/1014720914.db2.gz REDGSYCQPAVTLW-NSISKUIASA-N 2 1 311.473 3.843 20 30 DHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000092587882 1032504094 /nfs/dbraw/zinc/50/40/94/1032504094.db2.gz MVPGMPBMKWDVST-GOSISDBHSA-N 2 1 305.510 3.760 20 30 DHEDMP C=C(C)[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000274848984 1012741247 /nfs/dbraw/zinc/74/12/47/1012741247.db2.gz FLXWZXQMYYCGHO-KRWDZBQOSA-N 2 1 305.372 3.767 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000161522129 1017810489 /nfs/dbraw/zinc/81/04/89/1017810489.db2.gz IAAWMEQRLMJPKJ-AWEZNQCLSA-N 2 1 308.853 3.563 20 30 DHEDMP C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109780 1019087142 /nfs/dbraw/zinc/08/71/42/1019087142.db2.gz ZVRVGYOTQRWKDI-OAQYLSRUSA-N 2 1 319.452 3.512 20 30 DHEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109780 1019087155 /nfs/dbraw/zinc/08/71/55/1019087155.db2.gz ZVRVGYOTQRWKDI-OAQYLSRUSA-N 2 1 319.452 3.512 20 30 DHEDMP C[NH+](Cc1cccc(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109780 1019087176 /nfs/dbraw/zinc/08/71/76/1019087176.db2.gz ZVRVGYOTQRWKDI-OAQYLSRUSA-N 2 1 319.452 3.512 20 30 DHEDMP C[NH+](Cc1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109780 1019087195 /nfs/dbraw/zinc/08/71/95/1019087195.db2.gz ZVRVGYOTQRWKDI-OAQYLSRUSA-N 2 1 319.452 3.512 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338965 1019860188 /nfs/dbraw/zinc/86/01/88/1019860188.db2.gz LPGZSQCHBMLRLK-DYESRHJHSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338965 1019860210 /nfs/dbraw/zinc/86/02/10/1019860210.db2.gz LPGZSQCHBMLRLK-DYESRHJHSA-N 2 1 319.452 3.701 20 30 DHEDMP C=CCOCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000658206724 1020224324 /nfs/dbraw/zinc/22/43/24/1020224324.db2.gz PLENHKSDLQUGDV-UHFFFAOYSA-N 2 1 316.489 3.612 20 30 DHEDMP C#CC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171986184 1032970640 /nfs/dbraw/zinc/97/06/40/1032970640.db2.gz GGUFLGRWQQRRIW-FQEVSTJZSA-N 2 1 310.485 3.775 20 30 DHEDMP C#CC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171986184 1032970650 /nfs/dbraw/zinc/97/06/50/1032970650.db2.gz GGUFLGRWQQRRIW-FQEVSTJZSA-N 2 1 310.485 3.775 20 30 DHEDMP C#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781424822 1021367151 /nfs/dbraw/zinc/36/71/51/1021367151.db2.gz ZBGLORPSDIVFRH-QHAWAJNXSA-N 2 1 310.485 3.680 20 30 DHEDMP C=C(Br)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647900 1021661945 /nfs/dbraw/zinc/66/19/45/1021661945.db2.gz LGXQGGQCCBZKID-HOCLYGCPSA-N 2 1 323.278 3.538 20 30 DHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136585 1021923445 /nfs/dbraw/zinc/92/34/45/1021923445.db2.gz KLXQBNDKJZPKRD-FXAWDEMLSA-N 2 1 319.452 3.731 20 30 DHEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000538426652 1033061313 /nfs/dbraw/zinc/06/13/13/1033061313.db2.gz PEDHSHPDBQZAEU-PBHICJAKSA-N 2 1 305.491 3.610 20 30 DHEDMP C#C[C@](C)(CC)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001169697414 1022506038 /nfs/dbraw/zinc/50/60/38/1022506038.db2.gz LDIYPHOEGXCCPG-VQIMIIECSA-N 2 1 310.445 3.565 20 30 DHEDMP C=CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000768552729 1022988818 /nfs/dbraw/zinc/98/88/18/1022988818.db2.gz YILUUDZFDTXBJH-UHFFFAOYSA-N 2 1 302.462 3.558 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000695866006 1023037229 /nfs/dbraw/zinc/03/72/29/1023037229.db2.gz WZVMXZRRXOGLQB-MJGOQNOKSA-N 2 1 313.489 3.817 20 30 DHEDMP CCC#C[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085113 1023890718 /nfs/dbraw/zinc/89/07/18/1023890718.db2.gz GYEDJHDLVWDJTL-DOTOQJQBSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085113 1023890727 /nfs/dbraw/zinc/89/07/27/1023890727.db2.gz GYEDJHDLVWDJTL-DOTOQJQBSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001170085113 1023890736 /nfs/dbraw/zinc/89/07/36/1023890736.db2.gz GYEDJHDLVWDJTL-DOTOQJQBSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085113 1023890745 /nfs/dbraw/zinc/89/07/45/1023890745.db2.gz GYEDJHDLVWDJTL-DOTOQJQBSA-N 2 1 304.503 3.612 20 30 DHEDMP C[C@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121533 1024180329 /nfs/dbraw/zinc/18/03/29/1024180329.db2.gz MWXFNPDDBDLARJ-MVJPYGJCSA-N 2 1 311.473 3.819 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268874938 1024185188 /nfs/dbraw/zinc/18/51/88/1024185188.db2.gz LERYZZVCCDXEAY-QGZVFWFLSA-N 2 1 324.472 3.563 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453210403 1024402742 /nfs/dbraw/zinc/40/27/42/1024402742.db2.gz JLUTZBVWNCRFRX-ZCNNSNEGSA-N 2 1 323.484 3.713 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285582 1024438982 /nfs/dbraw/zinc/43/89/82/1024438982.db2.gz BUDRDQPIOULHOP-LCLWPZTBSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285582 1024438985 /nfs/dbraw/zinc/43/89/85/1024438985.db2.gz BUDRDQPIOULHOP-LCLWPZTBSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285589 1024439386 /nfs/dbraw/zinc/43/93/86/1024439386.db2.gz BUDRDQPIOULHOP-ZULIPRJHSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285589 1024439389 /nfs/dbraw/zinc/43/93/89/1024439389.db2.gz BUDRDQPIOULHOP-ZULIPRJHSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001172488240 1033221083 /nfs/dbraw/zinc/22/10/83/1033221083.db2.gz RVYRZECFGPCJLJ-CQSZACIVSA-N 2 1 305.853 3.672 20 30 DHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172499494 1033228225 /nfs/dbraw/zinc/22/82/25/1033228225.db2.gz DNZOZUKKUBLEMN-QUCCMNQESA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172499494 1033228234 /nfs/dbraw/zinc/22/82/34/1033228234.db2.gz DNZOZUKKUBLEMN-QUCCMNQESA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172499494 1033228242 /nfs/dbraw/zinc/22/82/42/1033228242.db2.gz DNZOZUKKUBLEMN-QUCCMNQESA-N 2 1 311.473 3.667 20 30 DHEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC000353261940 1025003712 /nfs/dbraw/zinc/00/37/12/1025003712.db2.gz DDGXJONWOBPNBT-FQEVSTJZSA-N 2 1 309.457 3.542 20 30 DHEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353384784 1025045875 /nfs/dbraw/zinc/04/58/75/1025045875.db2.gz LAHKPRSVZUWUTK-UZLBHIALSA-N 2 1 311.473 3.647 20 30 DHEDMP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793543436 1025085769 /nfs/dbraw/zinc/08/57/69/1025085769.db2.gz UENOFVLLVNVUKY-HKUYNNGSSA-N 2 1 308.510 3.744 20 30 DHEDMP Cc1[nH]c(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000886666215 1025773807 /nfs/dbraw/zinc/77/38/07/1025773807.db2.gz OTOMYPMPYBGNIH-OAHLLOKOSA-N 2 1 308.429 3.839 20 30 DHEDMP CCCC[N@@H+](C)C[C@H](C)/[NH+]=C\c1ccc(N(CC)CC)cc1O ZINC000809144001 1026461257 /nfs/dbraw/zinc/46/12/57/1026461257.db2.gz ACDFVBBHMGAKHZ-IEOAWGNMSA-N 2 1 319.493 3.778 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624080 1026574651 /nfs/dbraw/zinc/57/46/51/1026574651.db2.gz GEWQIDCPKSKEDS-PGRDOPGGSA-N 2 1 318.464 3.668 20 30 DHEDMP Cc1[nH]c(C2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)[nH+]c1C ZINC000931748033 1027241644 /nfs/dbraw/zinc/24/16/44/1027241644.db2.gz HBJQPKSUOXHPGX-UHFFFAOYSA-N 2 1 322.456 3.895 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)CC(C)C ZINC000562763711 1027594774 /nfs/dbraw/zinc/59/47/74/1027594774.db2.gz OKPSUXQIIMXROQ-RTBURBONSA-N 2 1 305.510 3.759 20 30 DHEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000363460732 1027642472 /nfs/dbraw/zinc/64/24/72/1027642472.db2.gz DGAXPGLQUDIGFV-HOTGVXAUSA-N 2 1 320.864 3.621 20 30 DHEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000363460732 1027642480 /nfs/dbraw/zinc/64/24/80/1027642480.db2.gz DGAXPGLQUDIGFV-HOTGVXAUSA-N 2 1 320.864 3.621 20 30 DHEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000363460731 1027643322 /nfs/dbraw/zinc/64/33/22/1027643322.db2.gz DGAXPGLQUDIGFV-CVEARBPZSA-N 2 1 320.864 3.621 20 30 DHEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000363460731 1027643332 /nfs/dbraw/zinc/64/33/32/1027643332.db2.gz DGAXPGLQUDIGFV-CVEARBPZSA-N 2 1 320.864 3.621 20 30 DHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000368366392 1028342093 /nfs/dbraw/zinc/34/20/93/1028342093.db2.gz CKFJKLINBUQQLU-VAMGGRTRSA-N 2 1 311.473 3.571 20 30 DHEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CCCCC(C)(C)C#N)CC2)C1CC1 ZINC000373117316 1028954871 /nfs/dbraw/zinc/95/48/71/1028954871.db2.gz FIKOMIDFXOGRBZ-QGZVFWFLSA-N 2 1 317.521 3.903 20 30 DHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1[O-] ZINC000866231949 1030168567 /nfs/dbraw/zinc/16/85/67/1030168567.db2.gz AVCYQSWRRSVZOK-CVEARBPZSA-N 2 1 315.461 3.569 20 30 DHEDMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929470937 1031527253 /nfs/dbraw/zinc/52/72/53/1031527253.db2.gz RGTHXRPXWINWMX-UHFFFAOYSA-N 2 1 305.853 3.516 20 30 DHEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929470937 1031527265 /nfs/dbraw/zinc/52/72/65/1031527265.db2.gz RGTHXRPXWINWMX-UHFFFAOYSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[NH+](CC)C1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001173110534 1033545129 /nfs/dbraw/zinc/54/51/29/1033545129.db2.gz VLJUJRXJCRVACT-UHFFFAOYSA-N 2 1 311.473 3.569 20 30 DHEDMP CCCCCCCC[C@H](CCC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001173310186 1033663194 /nfs/dbraw/zinc/66/31/94/1033663194.db2.gz RJPIFHUMJSACAL-DLBZAZTESA-N 2 1 314.514 3.776 20 30 DHEDMP C=CCOC1CCC([N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001173317234 1033710762 /nfs/dbraw/zinc/71/07/62/1033710762.db2.gz SYCDZGJHTXMJRU-KKXNLOMOSA-N 2 1 316.489 3.597 20 30 DHEDMP CC1(C#N)CCC(N2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001173595055 1033780507 /nfs/dbraw/zinc/78/05/07/1033780507.db2.gz KRGULFDUKNSRRH-UHFFFAOYSA-N 2 1 315.505 3.799 20 30 DHEDMP CC1(C#N)CCC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001173595055 1033780514 /nfs/dbraw/zinc/78/05/14/1033780514.db2.gz KRGULFDUKNSRRH-UHFFFAOYSA-N 2 1 315.505 3.799 20 30 DHEDMP CC1(C#N)CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001173595055 1033780526 /nfs/dbraw/zinc/78/05/26/1033780526.db2.gz KRGULFDUKNSRRH-UHFFFAOYSA-N 2 1 315.505 3.799 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc1F ZINC000924774907 1035062335 /nfs/dbraw/zinc/06/23/35/1035062335.db2.gz FKRDXEQWRVLSKT-ZDUSSCGKSA-N 2 1 314.408 3.738 20 30 DHEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000540314750 1036036369 /nfs/dbraw/zinc/03/63/69/1036036369.db2.gz WSFMMBJNWKWTJN-IIBYNOLFSA-N 2 1 319.452 3.655 20 30 DHEDMP N#CC1(CCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000929689200 1036353223 /nfs/dbraw/zinc/35/32/23/1036353223.db2.gz WTAGVVRFTVPDEP-SFHVURJKSA-N 2 1 303.494 3.801 20 30 DHEDMP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236929 1036530430 /nfs/dbraw/zinc/53/04/30/1036530430.db2.gz VRRAOXBYALIKFR-LAUBAEHRSA-N 2 1 319.452 3.558 20 30 DHEDMP CCCCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201762866 1037884443 /nfs/dbraw/zinc/88/44/43/1037884443.db2.gz YBHJJLZSXRMSEV-PMACEKPBSA-N 2 1 322.537 3.637 20 30 DHEDMP CCCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201762866 1037884454 /nfs/dbraw/zinc/88/44/54/1037884454.db2.gz YBHJJLZSXRMSEV-PMACEKPBSA-N 2 1 322.537 3.637 20 30 DHEDMP CCCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201776614 1037904577 /nfs/dbraw/zinc/90/45/77/1037904577.db2.gz HBURIIVROXHTOE-UHFFFAOYSA-N 2 1 306.498 3.509 20 30 DHEDMP CCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201776614 1037904588 /nfs/dbraw/zinc/90/45/88/1037904588.db2.gz HBURIIVROXHTOE-UHFFFAOYSA-N 2 1 306.498 3.509 20 30 DHEDMP CCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201776614 1037904599 /nfs/dbraw/zinc/90/45/99/1037904599.db2.gz HBURIIVROXHTOE-UHFFFAOYSA-N 2 1 306.498 3.509 20 30 DHEDMP CCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201776614 1037904609 /nfs/dbraw/zinc/90/46/09/1037904609.db2.gz HBURIIVROXHTOE-UHFFFAOYSA-N 2 1 306.498 3.509 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594497834 1039801738 /nfs/dbraw/zinc/80/17/38/1039801738.db2.gz HYAJRFODZIRSDI-UHFFFAOYSA-N 2 1 311.473 3.618 20 30 DHEDMP N#Cc1ccc(C2([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000594584747 1039859608 /nfs/dbraw/zinc/85/96/08/1039859608.db2.gz IESGAVMJIPFYNN-RBUKOAKNSA-N 2 1 303.409 3.672 20 30 DHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)CC1 ZINC000929421404 1040676934 /nfs/dbraw/zinc/67/69/34/1040676934.db2.gz HNSKQDRMXVNCQQ-MHJFOBGBSA-N 2 1 317.521 3.760 20 30 DHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)CC1 ZINC000929421405 1040677835 /nfs/dbraw/zinc/67/78/35/1040677835.db2.gz HNSKQDRMXVNCQQ-SOAGJPPSSA-N 2 1 317.521 3.760 20 30 DHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602549007 1041085997 /nfs/dbraw/zinc/08/59/97/1041085997.db2.gz AUFFNLRXICRFKQ-LRYGQEGESA-N 2 1 311.473 3.884 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602546613 1041086230 /nfs/dbraw/zinc/08/62/30/1041086230.db2.gz VTLGVESUPQFEEO-IEBWSBKVSA-N 2 1 316.514 3.863 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602546613 1041086244 /nfs/dbraw/zinc/08/62/44/1041086244.db2.gz VTLGVESUPQFEEO-IEBWSBKVSA-N 2 1 316.514 3.863 20 30 DHEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602549013 1041086532 /nfs/dbraw/zinc/08/65/32/1041086532.db2.gz AUFFNLRXICRFKQ-MUYFXNHWSA-N 2 1 311.473 3.884 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602546608 1041087210 /nfs/dbraw/zinc/08/72/10/1041087210.db2.gz VTLGVESUPQFEEO-HKUYNNGSSA-N 2 1 316.514 3.863 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602546608 1041087230 /nfs/dbraw/zinc/08/72/30/1041087230.db2.gz VTLGVESUPQFEEO-HKUYNNGSSA-N 2 1 316.514 3.863 20 30 DHEDMP C[C@H](CCC#N)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602660272 1041145697 /nfs/dbraw/zinc/14/56/97/1041145697.db2.gz BHPYMBDACJGGEI-QUCCMNQESA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@H](CCC#N)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602660272 1041145705 /nfs/dbraw/zinc/14/57/05/1041145705.db2.gz BHPYMBDACJGGEI-QUCCMNQESA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@H](CCC#N)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602660272 1041145710 /nfs/dbraw/zinc/14/57/10/1041145710.db2.gz BHPYMBDACJGGEI-QUCCMNQESA-N 2 1 311.473 3.524 20 30 DHEDMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337049 332137673 /nfs/dbraw/zinc/13/76/73/332137673.db2.gz WKZWASQPPICEFX-LJQANCHMSA-N 2 1 313.489 3.770 20 30 DHEDMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337049 332137674 /nfs/dbraw/zinc/13/76/74/332137674.db2.gz WKZWASQPPICEFX-LJQANCHMSA-N 2 1 313.489 3.770 20 30 DHEDMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337049 332137675 /nfs/dbraw/zinc/13/76/75/332137675.db2.gz WKZWASQPPICEFX-LJQANCHMSA-N 2 1 313.489 3.770 20 30 DHEDMP Cc1cccc(C[NH+]2CCC([NH2+]CC(C)(C)CCC#N)CC2)c1 ZINC000363560853 332646553 /nfs/dbraw/zinc/64/65/53/332646553.db2.gz XQROQRXEQYEDFW-UHFFFAOYSA-N 2 1 313.489 3.879 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309672966 333187050 /nfs/dbraw/zinc/18/70/50/333187050.db2.gz UOZPWFVKVOSDCC-IBGZPJMESA-N 2 1 313.489 3.818 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000271067818 334017917 /nfs/dbraw/zinc/01/79/17/334017917.db2.gz KCJDDSVMDSISOX-JWFWCLOMSA-N 2 1 323.484 3.607 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000271067818 334017919 /nfs/dbraw/zinc/01/79/19/334017919.db2.gz KCJDDSVMDSISOX-JWFWCLOMSA-N 2 1 323.484 3.607 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN(CCC#N)CC1CC1 ZINC000353417614 334055441 /nfs/dbraw/zinc/05/54/41/334055441.db2.gz UYROONWDCBONGP-UHFFFAOYSA-N 2 1 313.489 3.770 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000274253559 334058154 /nfs/dbraw/zinc/05/81/54/334058154.db2.gz ZHVYKMRMWAMCNF-LMCOJAPRSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000274253559 334058156 /nfs/dbraw/zinc/05/81/56/334058156.db2.gz ZHVYKMRMWAMCNF-LMCOJAPRSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278797507 334101271 /nfs/dbraw/zinc/10/12/71/334101271.db2.gz QXPDQFVDIWSTKJ-FRYIKTPZSA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000187823660 334274214 /nfs/dbraw/zinc/27/42/14/334274214.db2.gz UVRAGLKYRSMVLN-UHFFFAOYSA-N 2 1 316.489 3.866 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093003 335374277 /nfs/dbraw/zinc/37/42/77/335374277.db2.gz ZTFOATRZEUVCLE-LSDHHAIUSA-N 2 1 303.425 3.612 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093003 335374278 /nfs/dbraw/zinc/37/42/78/335374278.db2.gz ZTFOATRZEUVCLE-LSDHHAIUSA-N 2 1 303.425 3.612 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000532563498 336255598 /nfs/dbraw/zinc/25/55/98/336255598.db2.gz DFZPKVVLMVODRQ-HKUYNNGSSA-N 2 1 317.452 3.688 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000106246074 336389172 /nfs/dbraw/zinc/38/91/72/336389172.db2.gz JBBCURVKDAOBBS-UHFFFAOYSA-N 2 1 312.379 3.836 20 30 DHEDMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000421347956 337527827 /nfs/dbraw/zinc/52/78/27/337527827.db2.gz GLQBTBKFPAZVQS-ZBFHGGJFSA-N 2 1 317.502 3.752 20 30 DHEDMP C=CCOCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000470771784 339327477 /nfs/dbraw/zinc/32/74/77/339327477.db2.gz HFCGELQISQAQDK-GOSISDBHSA-N 2 1 308.510 3.556 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000538393860 340820510 /nfs/dbraw/zinc/82/05/10/340820510.db2.gz JANSOQPWHPEMKK-QZTJIDSGSA-N 2 1 308.510 3.600 20 30 DHEDMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000540707508 340942509 /nfs/dbraw/zinc/94/25/09/340942509.db2.gz GIGLEFNDXVLTRI-HNNXBMFYSA-N 2 1 305.441 3.857 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)Cc2ccc(C)cc2)CC1 ZINC000152977670 341514986 /nfs/dbraw/zinc/51/49/86/341514986.db2.gz HTDAUHQTGGKQIV-IBGZPJMESA-N 2 1 300.490 3.946 20 30 DHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000181696773 520257988 /nfs/dbraw/zinc/25/79/88/520257988.db2.gz YBUBBHNPVMFDNV-MRXNPFEDSA-N 2 1 307.441 3.861 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000180221267 525440160 /nfs/dbraw/zinc/44/01/60/525440160.db2.gz CRLWNFHPVLSASE-OXQOHEQNSA-N 2 1 319.452 3.798 20 30 DHEDMP CC[N@@H+](Cc1csc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455719 1013374562 /nfs/dbraw/zinc/37/45/62/1013374562.db2.gz IPDILFGJXYIUDY-UHFFFAOYSA-N 2 1 313.470 3.703 20 30 DHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000120944536 1032405587 /nfs/dbraw/zinc/40/55/87/1032405587.db2.gz KNCLPXYJEWCKSI-TZIWHRDSSA-N 2 1 312.501 3.885 20 30 DHEDMP C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444674381 1017623612 /nfs/dbraw/zinc/62/36/12/1017623612.db2.gz PBZOBQYMTQEOAO-IRXDYDNUSA-N 2 1 305.510 3.949 20 30 DHEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339208 1018451436 /nfs/dbraw/zinc/45/14/36/1018451436.db2.gz ACZPYAAOUGFQFV-LAUBAEHRSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339208 1018451442 /nfs/dbraw/zinc/45/14/42/1018451442.db2.gz ACZPYAAOUGFQFV-LAUBAEHRSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCCCC#N)C2 ZINC000705688866 1018672992 /nfs/dbraw/zinc/67/29/92/1018672992.db2.gz XLARCHIEHLIEBP-BGYRXZFFSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCCCC#N)C2 ZINC000705688866 1018672995 /nfs/dbraw/zinc/67/29/95/1018672995.db2.gz XLARCHIEHLIEBP-BGYRXZFFSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@]12C[NH+](CCCCC#N)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000705688866 1018672999 /nfs/dbraw/zinc/67/29/99/1018672999.db2.gz XLARCHIEHLIEBP-BGYRXZFFSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@]12C[NH+](CCCCC#N)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000705688866 1018673003 /nfs/dbraw/zinc/67/30/03/1018673003.db2.gz XLARCHIEHLIEBP-BGYRXZFFSA-N 2 1 311.473 3.524 20 30 DHEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391911 1019466384 /nfs/dbraw/zinc/46/63/84/1019466384.db2.gz DWBUPCJEEWMMKV-YLJYHZDGSA-N 2 1 311.473 3.646 20 30 DHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000067668422 1019774800 /nfs/dbraw/zinc/77/48/00/1019774800.db2.gz BUYDGBKBQAISKZ-UHFFFAOYSA-N 2 1 307.441 3.688 20 30 DHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000065976511 1020615482 /nfs/dbraw/zinc/61/54/82/1020615482.db2.gz YZKKUZSKNYSDCW-UHFFFAOYSA-N 2 1 307.441 3.688 20 30 DHEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000414174649 1020963355 /nfs/dbraw/zinc/96/33/55/1020963355.db2.gz GQZZHKNYHGCWJL-UZLBHIALSA-N 2 1 311.473 3.647 20 30 DHEDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000414174644 1020963410 /nfs/dbraw/zinc/96/34/10/1020963410.db2.gz GQZZHKNYHGCWJL-OXJNMPFZSA-N 2 1 311.473 3.647 20 30 DHEDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755563 1021866988 /nfs/dbraw/zinc/86/69/88/1021866988.db2.gz LEPZZMCREAXUTA-UHFFFAOYSA-N 2 1 305.853 3.564 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000538393859 1033051116 /nfs/dbraw/zinc/05/11/16/1033051116.db2.gz JANSOQPWHPEMKK-MSOLQXFVSA-N 2 1 308.510 3.600 20 30 DHEDMP CC(C)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304132 1033075885 /nfs/dbraw/zinc/07/58/85/1033075885.db2.gz HOTSAFRIWJFAJJ-VDGAXYAQSA-N 2 1 313.489 3.717 20 30 DHEDMP CCC#C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085311 1023887505 /nfs/dbraw/zinc/88/75/05/1023887505.db2.gz GYEDJHDLVWDJTL-RDJZCZTQSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085311 1023887510 /nfs/dbraw/zinc/88/75/10/1023887510.db2.gz GYEDJHDLVWDJTL-RDJZCZTQSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001170085311 1023887512 /nfs/dbraw/zinc/88/75/12/1023887512.db2.gz GYEDJHDLVWDJTL-RDJZCZTQSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085311 1023887516 /nfs/dbraw/zinc/88/75/16/1023887516.db2.gz GYEDJHDLVWDJTL-RDJZCZTQSA-N 2 1 304.503 3.612 20 30 DHEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ccc(N)[nH+]c2C)cc1 ZINC001167788162 1023923475 /nfs/dbraw/zinc/92/34/75/1023923475.db2.gz QESCYNLZLAHBJU-LJQANCHMSA-N 2 1 322.456 3.907 20 30 DHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccc(N)[nH+]c2C)cc1 ZINC001167788162 1023923484 /nfs/dbraw/zinc/92/34/84/1023923484.db2.gz QESCYNLZLAHBJU-LJQANCHMSA-N 2 1 322.456 3.907 20 30 DHEDMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121545 1024179915 /nfs/dbraw/zinc/17/99/15/1024179915.db2.gz NDOBCDZMEWTWDI-XLNTUCKNSA-N 2 1 311.473 3.819 20 30 DHEDMP C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121534 1024180524 /nfs/dbraw/zinc/18/05/24/1024180524.db2.gz MWXFNPDDBDLARJ-XLNTUCKNSA-N 2 1 311.473 3.819 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCOCc2ccccc2)CC1 ZINC000877009627 1033205043 /nfs/dbraw/zinc/20/50/43/1033205043.db2.gz ULIBDDRZAOICPF-GOSISDBHSA-N 2 1 316.489 3.612 20 30 DHEDMP C[C@@H](CCCC#N)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172499146 1033229250 /nfs/dbraw/zinc/22/92/50/1033229250.db2.gz BAZIBOTVKNDDLF-SFHVURJKSA-N 2 1 313.489 3.913 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172503001 1033232626 /nfs/dbraw/zinc/23/26/26/1033232626.db2.gz XTDGTJOSOHPGHN-QGZVFWFLSA-N 2 1 311.473 3.591 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172503001 1033232635 /nfs/dbraw/zinc/23/26/35/1033232635.db2.gz XTDGTJOSOHPGHN-QGZVFWFLSA-N 2 1 311.473 3.591 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172509653 1033238594 /nfs/dbraw/zinc/23/85/94/1033238594.db2.gz NIHQPHCXQMZMOX-INIZCTEOSA-N 2 1 317.452 3.804 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172509653 1033238605 /nfs/dbraw/zinc/23/86/05/1033238605.db2.gz NIHQPHCXQMZMOX-INIZCTEOSA-N 2 1 317.452 3.804 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353384899 1025052071 /nfs/dbraw/zinc/05/20/71/1025052071.db2.gz LSBUPTUQSQQKOL-UZLBHIALSA-N 2 1 311.473 3.790 20 30 DHEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000584810442 1025327976 /nfs/dbraw/zinc/32/79/76/1025327976.db2.gz RVZRSGJFNPZOTJ-OAQYLSRUSA-N 2 1 323.484 3.932 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000127420846 1025538401 /nfs/dbraw/zinc/53/84/01/1025538401.db2.gz NWSXUJBMSBSVIZ-UHFFFAOYSA-N 2 1 302.437 3.702 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886650375 1025764133 /nfs/dbraw/zinc/76/41/33/1025764133.db2.gz VHMQERGFQNNYAW-ZONLJJFTSA-N 2 1 322.496 3.821 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169069 1025790948 /nfs/dbraw/zinc/79/09/48/1025790948.db2.gz QNPVNOJMLYXGKG-LPHOPBHVSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169069 1025790967 /nfs/dbraw/zinc/79/09/67/1025790967.db2.gz QNPVNOJMLYXGKG-LPHOPBHVSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169069 1025790985 /nfs/dbraw/zinc/79/09/85/1025790985.db2.gz QNPVNOJMLYXGKG-LPHOPBHVSA-N 2 1 313.489 3.792 20 30 DHEDMP N#CCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CC1 ZINC000411300327 1025930733 /nfs/dbraw/zinc/93/07/33/1025930733.db2.gz BPKGPYXNEMEIDP-UHFFFAOYSA-N 2 1 311.473 3.798 20 30 DHEDMP N#CCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CC1 ZINC000411300327 1025930744 /nfs/dbraw/zinc/93/07/44/1025930744.db2.gz BPKGPYXNEMEIDP-UHFFFAOYSA-N 2 1 311.473 3.798 20 30 DHEDMP C=CCOc1ccccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000322077315 1025966928 /nfs/dbraw/zinc/96/69/28/1025966928.db2.gz GWDNJAROJLRDPQ-UHFFFAOYSA-N 2 1 316.489 3.996 20 30 DHEDMP C=CCOc1ccccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000322077315 1025966943 /nfs/dbraw/zinc/96/69/43/1025966943.db2.gz GWDNJAROJLRDPQ-UHFFFAOYSA-N 2 1 316.489 3.996 20 30 DHEDMP C#Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000809574548 1026552360 /nfs/dbraw/zinc/55/23/60/1026552360.db2.gz MKRSYTHFMJDBIQ-QFIPXVFZSA-N 2 1 318.464 3.622 20 30 DHEDMP C#Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809574548 1026552365 /nfs/dbraw/zinc/55/23/65/1026552365.db2.gz MKRSYTHFMJDBIQ-QFIPXVFZSA-N 2 1 318.464 3.622 20 30 DHEDMP C#Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809574548 1026552369 /nfs/dbraw/zinc/55/23/69/1026552369.db2.gz MKRSYTHFMJDBIQ-QFIPXVFZSA-N 2 1 318.464 3.622 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579591328 1028445390 /nfs/dbraw/zinc/44/53/90/1028445390.db2.gz JNAQUMIGTGTBDW-YSIASYRMSA-N 2 1 323.484 3.856 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579591328 1028445403 /nfs/dbraw/zinc/44/54/03/1028445403.db2.gz JNAQUMIGTGTBDW-YSIASYRMSA-N 2 1 323.484 3.856 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000815652202 1028595712 /nfs/dbraw/zinc/59/57/12/1028595712.db2.gz UFCICQVLYYSRRF-OAHLLOKOSA-N 2 1 322.880 3.733 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000815652202 1028595722 /nfs/dbraw/zinc/59/57/22/1028595722.db2.gz UFCICQVLYYSRRF-OAHLLOKOSA-N 2 1 322.880 3.733 20 30 DHEDMP N#CC1(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000411315876 1029098993 /nfs/dbraw/zinc/09/89/93/1029098993.db2.gz VMUCWTIXABSMMK-GOSISDBHSA-N 2 1 303.494 3.658 20 30 DHEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817919971 1029276399 /nfs/dbraw/zinc/27/63/99/1029276399.db2.gz XSLLTOFDLQMWQI-CDHQVMDDSA-N 2 1 321.424 3.602 20 30 DHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000818614962 1029419712 /nfs/dbraw/zinc/41/97/12/1029419712.db2.gz JYGNASFAPOGGRM-KBRIMQKVSA-N 2 1 308.853 3.738 20 30 DHEDMP CCCCCCCC[C@@H](CC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246087703 1029754624 /nfs/dbraw/zinc/75/46/24/1029754624.db2.gz HGSXTALXSXFCOG-LJQANCHMSA-N 2 1 311.558 3.791 20 30 DHEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924660180 1030154332 /nfs/dbraw/zinc/15/43/32/1030154332.db2.gz XHRBFLOPYNGPDS-INIZCTEOSA-N 2 1 301.478 3.945 20 30 DHEDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537408030 1031594807 /nfs/dbraw/zinc/59/48/07/1031594807.db2.gz VDLKZQGYJHWVOJ-AWEZNQCLSA-N 2 1 303.425 3.612 20 30 DHEDMP CCCCCCCC[C@@H](CCC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001173310049 1033663473 /nfs/dbraw/zinc/66/34/73/1033663473.db2.gz OFWQJVAGHKOFKW-WOJBJXKFSA-N 2 1 323.569 3.918 20 30 DHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176956954 1034123165 /nfs/dbraw/zinc/12/31/65/1034123165.db2.gz HTZXGVQWFCBZMK-UHFFFAOYSA-N 2 1 313.470 3.750 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000539817764 1035873947 /nfs/dbraw/zinc/87/39/47/1035873947.db2.gz NERVYZOYRKVPIA-AEFFLSMTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000539817764 1035873964 /nfs/dbraw/zinc/87/39/64/1035873964.db2.gz NERVYZOYRKVPIA-AEFFLSMTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000539817764 1035873985 /nfs/dbraw/zinc/87/39/85/1035873985.db2.gz NERVYZOYRKVPIA-AEFFLSMTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000539817766 1035875906 /nfs/dbraw/zinc/87/59/06/1035875906.db2.gz NERVYZOYRKVPIA-SJLPKXTDSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000539817766 1035875927 /nfs/dbraw/zinc/87/59/27/1035875927.db2.gz NERVYZOYRKVPIA-SJLPKXTDSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000539817766 1035875945 /nfs/dbraw/zinc/87/59/45/1035875945.db2.gz NERVYZOYRKVPIA-SJLPKXTDSA-N 2 1 302.462 3.556 20 30 DHEDMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000591571026 1038936978 /nfs/dbraw/zinc/93/69/78/1038936978.db2.gz WGUBYYWATICDBN-RYGJVYDSSA-N 2 1 305.425 3.702 20 30 DHEDMP N#Cc1ccc(C2([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000594584748 1039862411 /nfs/dbraw/zinc/86/24/11/1039862411.db2.gz IESGAVMJIPFYNN-RTBURBONSA-N 2 1 303.409 3.672 20 30 DHEDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000173571435 1040338523 /nfs/dbraw/zinc/33/85/23/1040338523.db2.gz PTDVHCHNISQHAG-QGZVFWFLSA-N 2 1 317.477 3.576 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000152994154 332331950 /nfs/dbraw/zinc/33/19/50/332331950.db2.gz DCWMIEFXLDBWNL-OAHLLOKOSA-N 2 1 317.433 3.594 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000153024165 332338983 /nfs/dbraw/zinc/33/89/83/332338983.db2.gz KJTQULBXIDHYOQ-OAHLLOKOSA-N 2 1 319.468 3.583 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC)cc2)CC1 ZINC000153046717 332339399 /nfs/dbraw/zinc/33/93/99/332339399.db2.gz SJPZWRZWNIDITK-INIZCTEOSA-N 2 1 302.462 3.776 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000153010525 332339526 /nfs/dbraw/zinc/33/95/26/332339526.db2.gz NOBCHJXJSIKDGN-IRXDYDNUSA-N 2 1 316.489 3.817 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000271067824 334017925 /nfs/dbraw/zinc/01/79/25/334017925.db2.gz KCJDDSVMDSISOX-RKDVLTNBSA-N 2 1 323.484 3.607 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000271067824 334017926 /nfs/dbraw/zinc/01/79/26/334017926.db2.gz KCJDDSVMDSISOX-RKDVLTNBSA-N 2 1 323.484 3.607 20 30 DHEDMP C[C@@H](c1ccco1)N(C)CC#CC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000351614761 336050592 /nfs/dbraw/zinc/05/05/92/336050592.db2.gz IODDCWYMVVIJMO-HOTGVXAUSA-N 2 1 300.402 3.562 20 30 DHEDMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1cccc(C#N)c1 ZINC000181626279 337183432 /nfs/dbraw/zinc/18/34/32/337183432.db2.gz YWQUNFYXERBRCG-INIZCTEOSA-N 2 1 311.473 3.863 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185864395 337252006 /nfs/dbraw/zinc/25/20/06/337252006.db2.gz XHJOHBBVMZTCHZ-ZVZYQTTQSA-N 2 1 308.429 3.914 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000086279069 337310358 /nfs/dbraw/zinc/31/03/58/337310358.db2.gz UEQKQMRXOJRRHB-OAHLLOKOSA-N 2 1 316.408 3.903 20 30 DHEDMP C=CC[C@H](CC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463252485 339112295 /nfs/dbraw/zinc/11/22/95/339112295.db2.gz NUFVBKUIFOPFMY-SFHVURJKSA-N 2 1 304.453 3.777 20 30 DHEDMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480504407 339575195 /nfs/dbraw/zinc/57/51/95/339575195.db2.gz WODSDGFAMKJKOH-UHFFFAOYSA-N 2 1 319.880 3.765 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000512415863 340361146 /nfs/dbraw/zinc/36/11/46/340361146.db2.gz PMNZTZCZTSUQRC-UHFFFAOYSA-N 2 1 317.452 3.641 20 30 DHEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665887 340371858 /nfs/dbraw/zinc/37/18/58/340371858.db2.gz HVGBSKHZVHWWRK-RDJZCZTQSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665887 340371859 /nfs/dbraw/zinc/37/18/59/340371859.db2.gz HVGBSKHZVHWWRK-RDJZCZTQSA-N 2 1 317.452 3.716 20 30 DHEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000549191366 341288494 /nfs/dbraw/zinc/28/84/94/341288494.db2.gz NWPWVZGARAFLOL-XLIONFOSSA-N 2 1 324.472 3.594 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000549191366 341288495 /nfs/dbraw/zinc/28/84/95/341288495.db2.gz NWPWVZGARAFLOL-XLIONFOSSA-N 2 1 324.472 3.594 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249412994 341397272 /nfs/dbraw/zinc/39/72/72/341397272.db2.gz YJCBYWOEAKKNQL-BPAFIMBUSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249412994 341397273 /nfs/dbraw/zinc/39/72/73/341397273.db2.gz YJCBYWOEAKKNQL-BPAFIMBUSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249412994 341397274 /nfs/dbraw/zinc/39/72/74/341397274.db2.gz YJCBYWOEAKKNQL-BPAFIMBUSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249412994 341397275 /nfs/dbraw/zinc/39/72/75/341397275.db2.gz YJCBYWOEAKKNQL-BPAFIMBUSA-N 2 1 309.457 3.568 20 30 DHEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000338006319 527422358 /nfs/dbraw/zinc/42/23/58/527422358.db2.gz AHTRMZJYULMLQG-LJQANCHMSA-N 2 1 308.429 3.511 20 30 DHEDMP C#CCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209268123 1013146496 /nfs/dbraw/zinc/14/64/96/1013146496.db2.gz UOLSAOOBTUGWHQ-UHFFFAOYSA-N 2 1 304.865 3.650 20 30 DHEDMP C#CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209268123 1013146510 /nfs/dbraw/zinc/14/65/10/1013146510.db2.gz UOLSAOOBTUGWHQ-UHFFFAOYSA-N 2 1 304.865 3.650 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318357 1014793881 /nfs/dbraw/zinc/79/38/81/1014793881.db2.gz YNQHMYIGVHPGGK-UTKZUKDTSA-N 2 1 319.452 3.558 20 30 DHEDMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc(C#N)cs1 ZINC000185158545 1015179560 /nfs/dbraw/zinc/17/95/60/1015179560.db2.gz DCHVMVZNSRYRPY-UHFFFAOYSA-N 2 1 305.491 3.754 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186170944 1017037072 /nfs/dbraw/zinc/03/70/72/1017037072.db2.gz DYZXAFLDDJLQBN-UHFFFAOYSA-N 2 1 313.489 3.811 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424324907 1011982033 /nfs/dbraw/zinc/98/20/33/1011982033.db2.gz KKEGMVQRNMBLQN-NXNFSMPISA-N 2 1 323.484 3.569 20 30 DHEDMP C=CCOc1ccc(C[N@H+](CCn2ccnc2)C(C)(C)C)cc1 ZINC000179466737 1012687170 /nfs/dbraw/zinc/68/71/70/1012687170.db2.gz IPYSCLWRCKLERH-UHFFFAOYSA-N 2 1 313.445 3.749 20 30 DHEDMP C[C@@H](NCC#Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205325 1020341910 /nfs/dbraw/zinc/34/19/10/1020341910.db2.gz CSMDFEPETLPJTK-KNQAVFIVSA-N 2 1 318.464 3.538 20 30 DHEDMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205325 1020341921 /nfs/dbraw/zinc/34/19/21/1020341921.db2.gz CSMDFEPETLPJTK-KNQAVFIVSA-N 2 1 318.464 3.538 20 30 DHEDMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205325 1020341931 /nfs/dbraw/zinc/34/19/31/1020341931.db2.gz CSMDFEPETLPJTK-KNQAVFIVSA-N 2 1 318.464 3.538 20 30 DHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000283010976 1020378320 /nfs/dbraw/zinc/37/83/20/1020378320.db2.gz OTKUTMHSHYMHMH-IBGZPJMESA-N 2 1 323.440 3.542 20 30 DHEDMP CC1(C)C[C@H](NCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964903 1032932600 /nfs/dbraw/zinc/93/26/00/1032932600.db2.gz NIQPSMUYSULQLC-GOSISDBHSA-N 2 1 311.473 3.713 20 30 DHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000131779767 1032947241 /nfs/dbraw/zinc/94/72/41/1032947241.db2.gz ROXBJPRQNQBNJS-IEBWSBKVSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000131779767 1032947253 /nfs/dbraw/zinc/94/72/53/1032947253.db2.gz ROXBJPRQNQBNJS-IEBWSBKVSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@@H]1C[C@H]([N@H+](C)CCC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000131779767 1032947271 /nfs/dbraw/zinc/94/72/71/1032947271.db2.gz ROXBJPRQNQBNJS-IEBWSBKVSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000131779767 1032947284 /nfs/dbraw/zinc/94/72/84/1032947284.db2.gz ROXBJPRQNQBNJS-IEBWSBKVSA-N 2 1 313.489 3.911 20 30 DHEDMP CC1(C)C[C@@H]([NH+]2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976433 1032962590 /nfs/dbraw/zinc/96/25/90/1032962590.db2.gz LGRIPCGNCPFGMX-IBGZPJMESA-N 2 1 311.473 3.665 20 30 DHEDMP CC1(C)C[C@@H]([NH+]2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976433 1032962603 /nfs/dbraw/zinc/96/26/03/1032962603.db2.gz LGRIPCGNCPFGMX-IBGZPJMESA-N 2 1 311.473 3.665 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000538394431 1033050395 /nfs/dbraw/zinc/05/03/95/1033050395.db2.gz ZXCSXMVVFHNUQV-MSOLQXFVSA-N 2 1 308.510 3.600 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000538393861 1033051012 /nfs/dbraw/zinc/05/10/12/1033051012.db2.gz JANSOQPWHPEMKK-ROUUACIJSA-N 2 1 308.510 3.600 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000695866007 1023036524 /nfs/dbraw/zinc/03/65/24/1023036524.db2.gz WZVMXZRRXOGLQB-PKOBYXMFSA-N 2 1 313.489 3.817 20 30 DHEDMP C=CCC[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883173139 1024269357 /nfs/dbraw/zinc/26/93/57/1024269357.db2.gz CSNPYLIDWKVNCB-IPMKNSEASA-N 2 1 314.473 3.617 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453210400 1024402220 /nfs/dbraw/zinc/40/22/20/1024402220.db2.gz JLUTZBVWNCRFRX-VAMGGRTRSA-N 2 1 323.484 3.713 20 30 DHEDMP CCCCCCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000792269881 1024657692 /nfs/dbraw/zinc/65/76/92/1024657692.db2.gz XXRITNWWDHQDLJ-UXHICEINSA-N 2 1 323.569 3.695 20 30 DHEDMP CCCCCCCC[C@H](CC)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001172501114 1033231478 /nfs/dbraw/zinc/23/14/78/1033231478.db2.gz ABRLFAJYLSWXPI-DLBZAZTESA-N 2 1 314.514 3.776 20 30 DHEDMP CCCCCCC[C@H](CCC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001172508735 1033237913 /nfs/dbraw/zinc/23/79/13/1033237913.db2.gz NKZXCKXNZASHAD-RBUKOAKNSA-N 2 1 309.542 3.528 20 30 DHEDMP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793543439 1025088210 /nfs/dbraw/zinc/08/82/10/1025088210.db2.gz UENOFVLLVNVUKY-MJGOQNOKSA-N 2 1 308.510 3.744 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000245567248 1026080582 /nfs/dbraw/zinc/08/05/82/1026080582.db2.gz UGPZZUSUEBTOQV-MSOLQXFVSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000245567248 1026080594 /nfs/dbraw/zinc/08/05/94/1026080594.db2.gz UGPZZUSUEBTOQV-MSOLQXFVSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000245567248 1026080612 /nfs/dbraw/zinc/08/06/12/1026080612.db2.gz UGPZZUSUEBTOQV-MSOLQXFVSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082203 1028349793 /nfs/dbraw/zinc/34/97/93/1028349793.db2.gz LMHHAXNQORZDDB-LPOKXYRGSA-N 2 1 305.510 3.807 20 30 DHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000370003316 1028552281 /nfs/dbraw/zinc/55/22/81/1028552281.db2.gz ZUMFLMFZFHUIHJ-SFHVURJKSA-N 2 1 305.510 3.760 20 30 DHEDMP CC(C)CC[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000925927005 1030549276 /nfs/dbraw/zinc/54/92/76/1030549276.db2.gz WPMJLXKNVORLSO-UHFFFAOYSA-N 2 1 311.473 3.647 20 30 DHEDMP CC[N@@H+](CCC1CCN(C[C@@H](C#N)CCC#N)CC1)CC(C)C ZINC000358738871 1030606201 /nfs/dbraw/zinc/60/62/01/1030606201.db2.gz SRKBKIHHAPKZID-LJQANCHMSA-N 2 1 318.509 3.510 20 30 DHEDMP CC[N@H+](CCC1CC[NH+](C[C@@H](C#N)CCC#N)CC1)CC(C)C ZINC000358738871 1030606217 /nfs/dbraw/zinc/60/62/17/1030606217.db2.gz SRKBKIHHAPKZID-LJQANCHMSA-N 2 1 318.509 3.510 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C#N)CCC#N)CC1)CC(C)C ZINC000358738871 1030606223 /nfs/dbraw/zinc/60/62/23/1030606223.db2.gz SRKBKIHHAPKZID-LJQANCHMSA-N 2 1 318.509 3.510 20 30 DHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248756626 1030766596 /nfs/dbraw/zinc/76/65/96/1030766596.db2.gz GGMIWYUZHYEQEB-RZQVSUQPSA-N 2 1 323.484 3.854 20 30 DHEDMP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143731699 1030937001 /nfs/dbraw/zinc/93/70/01/1030937001.db2.gz BHEFKGLYZYZTGH-UHFFFAOYSA-N 2 1 317.864 3.519 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000272937549 1031276094 /nfs/dbraw/zinc/27/60/94/1031276094.db2.gz LNOQKJFAXXDIEH-UHFFFAOYSA-N 2 1 302.437 3.702 20 30 DHEDMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174270707 1033917135 /nfs/dbraw/zinc/91/71/35/1033917135.db2.gz ZKCCHFBMANXFMQ-INIZCTEOSA-N 2 1 323.440 3.815 20 30 DHEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174270707 1033917146 /nfs/dbraw/zinc/91/71/46/1033917146.db2.gz ZKCCHFBMANXFMQ-INIZCTEOSA-N 2 1 323.440 3.815 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898519693 1034083466 /nfs/dbraw/zinc/08/34/66/1034083466.db2.gz QFGHJEFYNCSHRM-MJCUULBUSA-N 2 1 323.484 3.569 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)CC1CC1 ZINC000559147043 1034961030 /nfs/dbraw/zinc/96/10/30/1034961030.db2.gz RFELCKQZYOFMRQ-RTBURBONSA-N 2 1 303.494 3.513 20 30 DHEDMP CC(C)(C#N)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000903101389 1035280870 /nfs/dbraw/zinc/28/08/70/1035280870.db2.gz GVPMCZANISAZRK-IPMKNSEASA-N 2 1 311.473 3.569 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000539837063 1035894361 /nfs/dbraw/zinc/89/43/61/1035894361.db2.gz XURQIOAHZHSMMF-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000539837063 1035894382 /nfs/dbraw/zinc/89/43/82/1035894382.db2.gz XURQIOAHZHSMMF-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000539837063 1035894409 /nfs/dbraw/zinc/89/44/09/1035894409.db2.gz XURQIOAHZHSMMF-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000539837063 1035894426 /nfs/dbraw/zinc/89/44/26/1035894426.db2.gz XURQIOAHZHSMMF-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C#C[C@@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001195558829 1036285915 /nfs/dbraw/zinc/28/59/15/1036285915.db2.gz QUPLHRFNOWDSNL-HXUWFJFHSA-N 2 1 324.512 3.676 20 30 DHEDMP C=CCCC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650902 1036310217 /nfs/dbraw/zinc/31/02/17/1036310217.db2.gz RXXMMCVZSQCYMC-HDICACEKSA-N 2 1 316.489 3.694 20 30 DHEDMP C=CCCC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650902 1036310233 /nfs/dbraw/zinc/31/02/33/1036310233.db2.gz RXXMMCVZSQCYMC-HDICACEKSA-N 2 1 316.489 3.694 20 30 DHEDMP C=CCCC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650902 1036310252 /nfs/dbraw/zinc/31/02/52/1036310252.db2.gz RXXMMCVZSQCYMC-HDICACEKSA-N 2 1 316.489 3.694 20 30 DHEDMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271969271 1036800352 /nfs/dbraw/zinc/80/03/52/1036800352.db2.gz TZINDVDLFJSEFN-CYBMUJFWSA-N 2 1 303.425 3.611 20 30 DHEDMP Cc1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000443996861 1037003505 /nfs/dbraw/zinc/00/35/05/1037003505.db2.gz KOEOCEWAXXJRCM-GOSISDBHSA-N 2 1 321.468 3.867 20 30 DHEDMP Cc1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000443996861 1037003518 /nfs/dbraw/zinc/00/35/18/1037003518.db2.gz KOEOCEWAXXJRCM-GOSISDBHSA-N 2 1 321.468 3.867 20 30 DHEDMP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000594496739 1039799585 /nfs/dbraw/zinc/79/95/85/1039799585.db2.gz TUEWTQKKPSUZAC-UHFFFAOYSA-N 2 1 311.473 3.594 20 30 DHEDMP N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000597013298 1040624973 /nfs/dbraw/zinc/62/49/73/1040624973.db2.gz HNTPODSLUYEROQ-HXUWFJFHSA-N 2 1 323.484 3.692 20 30 DHEDMP N#CC1(c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000597013298 1040624977 /nfs/dbraw/zinc/62/49/77/1040624977.db2.gz HNTPODSLUYEROQ-HXUWFJFHSA-N 2 1 323.484 3.692 20 30 DHEDMP C[C@H](CCC#N)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000602474832 1041039929 /nfs/dbraw/zinc/03/99/29/1041039929.db2.gz NZVVLKZRAJBQSP-QWFCFKBJSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000602474832 1041039939 /nfs/dbraw/zinc/03/99/39/1041039939.db2.gz NZVVLKZRAJBQSP-QWFCFKBJSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602474832 1041039951 /nfs/dbraw/zinc/03/99/51/1041039951.db2.gz NZVVLKZRAJBQSP-QWFCFKBJSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602474832 1041039966 /nfs/dbraw/zinc/03/99/66/1041039966.db2.gz NZVVLKZRAJBQSP-QWFCFKBJSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000602514737 1041063937 /nfs/dbraw/zinc/06/39/37/1041063937.db2.gz LVASOTZJXDYWFR-QZTJIDSGSA-N 2 1 313.489 3.948 20 30 DHEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602660271 1041145346 /nfs/dbraw/zinc/14/53/46/1041145346.db2.gz BHPYMBDACJGGEI-ICSRJNTNSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@@H](CCC#N)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602660271 1041145355 /nfs/dbraw/zinc/14/53/55/1041145355.db2.gz BHPYMBDACJGGEI-ICSRJNTNSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@@H](CCC#N)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602660271 1041145362 /nfs/dbraw/zinc/14/53/62/1041145362.db2.gz BHPYMBDACJGGEI-ICSRJNTNSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000602659909 1041146455 /nfs/dbraw/zinc/14/64/55/1041146455.db2.gz YQZMYLPTAXZMFN-IEBWSBKVSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000602659909 1041146463 /nfs/dbraw/zinc/14/64/63/1041146463.db2.gz YQZMYLPTAXZMFN-IEBWSBKVSA-N 2 1 313.489 3.817 20 30 DHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602772411 1041202726 /nfs/dbraw/zinc/20/27/26/1041202726.db2.gz IRVLFAUAYVLSHY-UHFFFAOYSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442708811 335035119 /nfs/dbraw/zinc/03/51/19/335035119.db2.gz LPOWHLLZNFPLJF-HLIPFELVSA-N 2 1 311.473 3.700 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000153023136 332338607 /nfs/dbraw/zinc/33/86/07/332338607.db2.gz LENOBYGWMCEZMG-AWEZNQCLSA-N 2 1 315.486 3.987 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153017944 332339263 /nfs/dbraw/zinc/33/92/63/332339263.db2.gz UIOFNCNKHUXTSI-SFHVURJKSA-N 2 1 317.433 3.676 20 30 DHEDMP C=CCC[C@H](CC)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000462112572 333140868 /nfs/dbraw/zinc/14/08/68/333140868.db2.gz SHOCAODAUXJUOQ-KRWDZBQOSA-N 2 1 308.510 3.744 20 30 DHEDMP C=CCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000319684056 333396371 /nfs/dbraw/zinc/39/63/71/333396371.db2.gz GTRMHKTVIWMXSD-UHFFFAOYSA-N 2 1 300.490 3.885 20 30 DHEDMP N#CC1(F)CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411719636 333703526 /nfs/dbraw/zinc/70/35/26/333703526.db2.gz LSMOJSJYXSYEHY-UHFFFAOYSA-N 2 1 315.436 3.500 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295123132 334219080 /nfs/dbraw/zinc/21/90/80/334219080.db2.gz WVOOKIFCSGEHRO-ZULIPRJHSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000295123132 334219082 /nfs/dbraw/zinc/21/90/82/334219082.db2.gz WVOOKIFCSGEHRO-ZULIPRJHSA-N 2 1 311.473 3.711 20 30 DHEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437666 338369409 /nfs/dbraw/zinc/36/94/09/338369409.db2.gz IFZNGYJOLVYHLR-CZUORRHYSA-N 2 1 305.853 3.516 20 30 DHEDMP C=CC[NH+]1CCC([NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449124454 338595220 /nfs/dbraw/zinc/59/52/20/338595220.db2.gz QJZIOONOJBCARO-UHFFFAOYSA-N 2 1 310.441 3.588 20 30 DHEDMP C=CCSCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000551296045 341337523 /nfs/dbraw/zinc/33/75/23/341337523.db2.gz DZRKHARHLIMQDT-UHFFFAOYSA-N 2 1 318.530 3.938 20 30 DHEDMP C#CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209266844 1013138624 /nfs/dbraw/zinc/13/86/24/1013138624.db2.gz DTNBUFHONOVSAF-QXAKKESOSA-N 2 1 316.514 3.694 20 30 DHEDMP C#CCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209266844 1013138629 /nfs/dbraw/zinc/13/86/29/1013138629.db2.gz DTNBUFHONOVSAF-QXAKKESOSA-N 2 1 316.514 3.694 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442710950 1014721250 /nfs/dbraw/zinc/72/12/50/1014721250.db2.gz REDGSYCQPAVTLW-LSTHTHJFSA-N 2 1 311.473 3.843 20 30 DHEDMP C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000346881592 1016613071 /nfs/dbraw/zinc/61/30/71/1016613071.db2.gz NZEYIRBAKSPSBE-CABCVRRESA-N 2 1 303.425 3.612 20 30 DHEDMP CCCCCCC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000711792269 1012149023 /nfs/dbraw/zinc/14/90/23/1012149023.db2.gz QGLSOHRODFKBRF-FQEVSTJZSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCCCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711792269 1012149035 /nfs/dbraw/zinc/14/90/35/1012149035.db2.gz QGLSOHRODFKBRF-FQEVSTJZSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCCCCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711792269 1012149042 /nfs/dbraw/zinc/14/90/42/1012149042.db2.gz QGLSOHRODFKBRF-FQEVSTJZSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCCCCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711792269 1012149063 /nfs/dbraw/zinc/14/90/63/1012149063.db2.gz QGLSOHRODFKBRF-FQEVSTJZSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCCCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711792269 1012149069 /nfs/dbraw/zinc/14/90/69/1012149069.db2.gz QGLSOHRODFKBRF-FQEVSTJZSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001167078814 1012551514 /nfs/dbraw/zinc/55/15/14/1012551514.db2.gz XDJVQROBTINJCU-UHFFFAOYSA-N 2 1 313.489 3.811 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000339009337 1032729282 /nfs/dbraw/zinc/72/92/82/1032729282.db2.gz HOQOXSHCYHBEGJ-NJYVYQBISA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000339009337 1032729287 /nfs/dbraw/zinc/72/92/87/1032729287.db2.gz HOQOXSHCYHBEGJ-NJYVYQBISA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000339009337 1032729298 /nfs/dbraw/zinc/72/92/98/1032729298.db2.gz HOQOXSHCYHBEGJ-NJYVYQBISA-N 2 1 323.484 3.667 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000367898933 1018091422 /nfs/dbraw/zinc/09/14/22/1018091422.db2.gz FZCNZKAXUASGCC-MJGOQNOKSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000367898933 1018091436 /nfs/dbraw/zinc/09/14/36/1018091436.db2.gz FZCNZKAXUASGCC-MJGOQNOKSA-N 2 1 313.489 3.817 20 30 DHEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000657915079 1019978603 /nfs/dbraw/zinc/97/86/03/1019978603.db2.gz HVCGPHIFFHYPKY-OALUTQOASA-N 2 1 320.521 3.746 20 30 DHEDMP C=CCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000658099283 1020144309 /nfs/dbraw/zinc/14/43/09/1020144309.db2.gz WDWHQWLXBCYGKJ-IBGZPJMESA-N 2 1 320.521 3.746 20 30 DHEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000152984144 1021910633 /nfs/dbraw/zinc/91/06/33/1021910633.db2.gz GHIRGBCCNQWTHN-AWEZNQCLSA-N 2 1 324.415 3.979 20 30 DHEDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136593 1021922831 /nfs/dbraw/zinc/92/28/31/1021922831.db2.gz KLXQBNDKJZPKRD-YLJYHZDGSA-N 2 1 319.452 3.731 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108657 1022267104 /nfs/dbraw/zinc/26/71/04/1022267104.db2.gz USJNNBJGAXGHDQ-LUKYLMHMSA-N 2 1 300.446 3.527 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108657 1022267112 /nfs/dbraw/zinc/26/71/12/1022267112.db2.gz USJNNBJGAXGHDQ-LUKYLMHMSA-N 2 1 300.446 3.527 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417307785 1022676368 /nfs/dbraw/zinc/67/63/68/1022676368.db2.gz HHSKAFGDKUNPCS-HYVNUMGLSA-N 2 1 304.503 3.870 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)C2CCN(CC)CC2)cc1Cl ZINC000125200103 1023467316 /nfs/dbraw/zinc/46/73/16/1023467316.db2.gz LWKZGQDYLWGUAP-UHFFFAOYSA-N 2 1 322.880 3.821 20 30 DHEDMP CCCCCCCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000792269882 1024657379 /nfs/dbraw/zinc/65/73/79/1024657379.db2.gz XXRITNWWDHQDLJ-VQTJNVASSA-N 2 1 323.569 3.695 20 30 DHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498293 1033229138 /nfs/dbraw/zinc/22/91/38/1033229138.db2.gz LCNPGHAYNINKEI-YZGWKJHDSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498293 1033229151 /nfs/dbraw/zinc/22/91/51/1033229151.db2.gz LCNPGHAYNINKEI-YZGWKJHDSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498293 1033229163 /nfs/dbraw/zinc/22/91/63/1033229163.db2.gz LCNPGHAYNINKEI-YZGWKJHDSA-N 2 1 311.473 3.523 20 30 DHEDMP CCCCCCCC[C@H](CC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001172503143 1033232535 /nfs/dbraw/zinc/23/25/35/1033232535.db2.gz PCFDBTNCOIPAOE-OALUTQOASA-N 2 1 309.542 3.528 20 30 DHEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353384777 1025046947 /nfs/dbraw/zinc/04/69/47/1025046947.db2.gz LAHKPRSVZUWUTK-JXFKEZNVSA-N 2 1 311.473 3.647 20 30 DHEDMP C#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000809556255 1026559670 /nfs/dbraw/zinc/55/96/70/1026559670.db2.gz KAHSPZNKLJYPOL-OAQYLSRUSA-N 2 1 310.485 3.612 20 30 DHEDMP C#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000809556255 1026559677 /nfs/dbraw/zinc/55/96/77/1026559677.db2.gz KAHSPZNKLJYPOL-OAQYLSRUSA-N 2 1 310.485 3.612 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556117 1026559998 /nfs/dbraw/zinc/55/99/98/1026559998.db2.gz ICTRBSNIMRNNJB-RXVVDRJESA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556117 1026560010 /nfs/dbraw/zinc/56/00/10/1026560010.db2.gz ICTRBSNIMRNNJB-RXVVDRJESA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556117 1026560015 /nfs/dbraw/zinc/56/00/15/1026560015.db2.gz ICTRBSNIMRNNJB-RXVVDRJESA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556117 1026560020 /nfs/dbraw/zinc/56/00/20/1026560020.db2.gz ICTRBSNIMRNNJB-RXVVDRJESA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624078 1026575910 /nfs/dbraw/zinc/57/59/10/1026575910.db2.gz GEWQIDCPKSKEDS-AVRDEDQJSA-N 2 1 318.464 3.668 20 30 DHEDMP Cc1cccc(NC2CC[NH+](CCCCC(C)(C)C#N)CC2)[nH+]1 ZINC000365440730 1027947224 /nfs/dbraw/zinc/94/72/24/1027947224.db2.gz DLVBXJROXOKMEP-UHFFFAOYSA-N 2 1 314.477 3.986 20 30 DHEDMP CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369001405 1028432468 /nfs/dbraw/zinc/43/24/68/1028432468.db2.gz LPCLBRPMSIKEHQ-SFHVURJKSA-N 2 1 305.510 3.904 20 30 DHEDMP N#CC1(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000411297544 1029097718 /nfs/dbraw/zinc/09/77/18/1029097718.db2.gz UIHGXJAYTBYQEV-GOSISDBHSA-N 2 1 303.494 3.801 20 30 DHEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817919973 1029275315 /nfs/dbraw/zinc/27/53/15/1029275315.db2.gz XSLLTOFDLQMWQI-XPGWFJOJSA-N 2 1 321.424 3.602 20 30 DHEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@H](C[NH3+])CC(C)C ZINC001246017256 1029635259 /nfs/dbraw/zinc/63/52/59/1029635259.db2.gz XXCXQAPCCPSYTL-ZWKOTPCHSA-N 2 1 300.531 3.841 20 30 DHEDMP C=CCSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248756039 1030766300 /nfs/dbraw/zinc/76/63/00/1030766300.db2.gz CRJVZNBXBSTZNM-REPLKXPHSA-N 2 1 316.514 3.691 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000559111266 1031130256 /nfs/dbraw/zinc/13/02/56/1031130256.db2.gz QFXUTEUNDDQPAC-QRQLOZEOSA-N 2 1 303.494 3.655 20 30 DHEDMP Cc1cc(C)cc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000104169908 1033652828 /nfs/dbraw/zinc/65/28/28/1033652828.db2.gz KNVLIHKLJQUGLB-HNNXBMFYSA-N 2 1 316.493 3.542 20 30 DHEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001173590840 1033781921 /nfs/dbraw/zinc/78/19/21/1033781921.db2.gz GNWFZYHVTGNGKW-XBMUEBEBSA-N 2 1 303.494 3.703 20 30 DHEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001173590840 1033781938 /nfs/dbraw/zinc/78/19/38/1033781938.db2.gz GNWFZYHVTGNGKW-XBMUEBEBSA-N 2 1 303.494 3.703 20 30 DHEDMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C1 ZINC000174269887 1033917000 /nfs/dbraw/zinc/91/70/00/1033917000.db2.gz WVJRBNRUNPLHRJ-INIZCTEOSA-N 2 1 323.440 3.673 20 30 DHEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C1 ZINC000174269887 1033917008 /nfs/dbraw/zinc/91/70/08/1033917008.db2.gz WVJRBNRUNPLHRJ-INIZCTEOSA-N 2 1 323.440 3.673 20 30 DHEDMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC000879250022 1033964088 /nfs/dbraw/zinc/96/40/88/1033964088.db2.gz KAWIBHSWDKNOFC-UHFFFAOYSA-N 2 1 317.864 3.519 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000339057198 1034113770 /nfs/dbraw/zinc/11/37/70/1034113770.db2.gz AQXRAFLNLZCMEL-WOJBJXKFSA-N 2 1 323.484 3.667 20 30 DHEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000539838070 1035878124 /nfs/dbraw/zinc/87/81/24/1035878124.db2.gz GFIDHQVTMJAALT-WMZOPIPTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000539838070 1035878148 /nfs/dbraw/zinc/87/81/48/1035878148.db2.gz GFIDHQVTMJAALT-WMZOPIPTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000539838070 1035878166 /nfs/dbraw/zinc/87/81/66/1035878166.db2.gz GFIDHQVTMJAALT-WMZOPIPTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000539838070 1035878185 /nfs/dbraw/zinc/87/81/85/1035878185.db2.gz GFIDHQVTMJAALT-WMZOPIPTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=C(CC)C[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000540215878 1036012043 /nfs/dbraw/zinc/01/20/43/1036012043.db2.gz WGJJHSCOQMMHIE-UHFFFAOYSA-N 2 1 316.493 3.740 20 30 DHEDMP C=C(CC)C[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000540215878 1036012061 /nfs/dbraw/zinc/01/20/61/1036012061.db2.gz WGJJHSCOQMMHIE-UHFFFAOYSA-N 2 1 316.493 3.740 20 30 DHEDMP CCCCCCC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001201762554 1037885846 /nfs/dbraw/zinc/88/58/46/1037885846.db2.gz PGZQNBHJBOAFHQ-WOJBJXKFSA-N 2 1 322.537 3.637 20 30 DHEDMP CCCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001201762554 1037885868 /nfs/dbraw/zinc/88/58/68/1037885868.db2.gz PGZQNBHJBOAFHQ-WOJBJXKFSA-N 2 1 322.537 3.637 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030875 1039362593 /nfs/dbraw/zinc/36/25/93/1039362593.db2.gz PIXCPZRNKNNPON-ZACQAIPSSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030875 1039362757 /nfs/dbraw/zinc/36/27/57/1039362757.db2.gz PIXCPZRNKNNPON-ZACQAIPSSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030875 1039362906 /nfs/dbraw/zinc/36/29/06/1039362906.db2.gz PIXCPZRNKNNPON-ZACQAIPSSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030875 1039362996 /nfs/dbraw/zinc/36/29/96/1039362996.db2.gz PIXCPZRNKNNPON-ZACQAIPSSA-N 2 1 317.502 3.503 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494133 1039797285 /nfs/dbraw/zinc/79/72/85/1039797285.db2.gz URVGHHHNUTXVDU-QGZVFWFLSA-N 2 1 313.489 3.842 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594511333 1039811705 /nfs/dbraw/zinc/81/17/05/1039811705.db2.gz GFOGEHCTCUSSJL-UHFFFAOYSA-N 2 1 310.445 3.563 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095609 1040078571 /nfs/dbraw/zinc/07/85/71/1040078571.db2.gz RMVWVCBDIWFMDK-AQNXPRMDSA-N 2 1 323.484 3.571 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095611 1040080015 /nfs/dbraw/zinc/08/00/15/1040080015.db2.gz RMVWVCBDIWFMDK-VAMGGRTRSA-N 2 1 323.484 3.571 20 30 DHEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094809 1040305632 /nfs/dbraw/zinc/30/56/32/1040305632.db2.gz MKTGHHSEIMJKLS-GHTZIAJQSA-N 2 1 323.484 3.647 20 30 DHEDMP N#Cc1c(F)cccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000601996960 1040853161 /nfs/dbraw/zinc/85/31/61/1040853161.db2.gz KHMQDFPKBRZEHC-UHFFFAOYSA-N 2 1 323.415 3.583 20 30 DHEDMP N#CCC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000602786951 1041212384 /nfs/dbraw/zinc/21/23/84/1041212384.db2.gz MZPKWHUBPBAVGD-VQTJNVASSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000602786951 1041212404 /nfs/dbraw/zinc/21/24/04/1041212404.db2.gz MZPKWHUBPBAVGD-VQTJNVASSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000602786951 1041212422 /nfs/dbraw/zinc/21/24/22/1041212422.db2.gz MZPKWHUBPBAVGD-VQTJNVASSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000602786951 1041212438 /nfs/dbraw/zinc/21/24/38/1041212438.db2.gz MZPKWHUBPBAVGD-VQTJNVASSA-N 2 1 323.484 3.667 20 30 DHEDMP C=CCCOCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285248606 335022284 /nfs/dbraw/zinc/02/22/84/335022284.db2.gz PVDBZPRSOAPLJQ-UHFFFAOYSA-N 2 1 316.489 3.612 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000289548003 335064348 /nfs/dbraw/zinc/06/43/48/335064348.db2.gz GBEFVZLPMSOPBT-UHFFFAOYSA-N 2 1 319.452 3.580 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000152973120 332332545 /nfs/dbraw/zinc/33/25/45/332332545.db2.gz LLOHCDDCOYFGBG-AWEZNQCLSA-N 2 1 306.425 3.525 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000153024062 332339110 /nfs/dbraw/zinc/33/91/10/332339110.db2.gz KJTQULBXIDHYOQ-HNNXBMFYSA-N 2 1 319.468 3.583 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000153029146 332340152 /nfs/dbraw/zinc/34/01/52/332340152.db2.gz OPOLJMGFIFHEPO-AWEZNQCLSA-N 2 1 324.415 3.979 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000295238262 335131260 /nfs/dbraw/zinc/13/12/60/335131260.db2.gz SLTHVTSIOAKULJ-AWEZNQCLSA-N 2 1 308.416 3.698 20 30 DHEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(C#N)CC1 ZINC000272494817 334035420 /nfs/dbraw/zinc/03/54/20/334035420.db2.gz FUUMFXSXWJXIDK-UHFFFAOYSA-N 2 1 313.489 3.770 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(C#N)CC1 ZINC000272494817 334035421 /nfs/dbraw/zinc/03/54/21/334035421.db2.gz FUUMFXSXWJXIDK-UHFFFAOYSA-N 2 1 313.489 3.770 20 30 DHEDMP C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000298704511 334250664 /nfs/dbraw/zinc/25/06/64/334250664.db2.gz TXJFEPRZEYCVET-HOJAQTOUSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000298704511 334250665 /nfs/dbraw/zinc/25/06/65/334250665.db2.gz TXJFEPRZEYCVET-HOJAQTOUSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000298704511 334250666 /nfs/dbraw/zinc/25/06/66/334250666.db2.gz TXJFEPRZEYCVET-HOJAQTOUSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000298704511 334250667 /nfs/dbraw/zinc/25/06/67/334250667.db2.gz TXJFEPRZEYCVET-HOJAQTOUSA-N 2 1 311.473 3.665 20 30 DHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000360839520 336723932 /nfs/dbraw/zinc/72/39/32/336723932.db2.gz IETXYSHAZOKAHF-FQEVSTJZSA-N 2 1 309.457 3.542 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2)cc1 ZINC000192161122 337303534 /nfs/dbraw/zinc/30/35/34/337303534.db2.gz PVFRDVQWJOGPKQ-QGZVFWFLSA-N 2 1 315.420 3.883 20 30 DHEDMP N#Cc1cccc(C2([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000551818739 341352957 /nfs/dbraw/zinc/35/29/57/341352957.db2.gz SRVWDFSOLSYDRB-UHFFFAOYSA-N 2 1 309.457 3.544 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772075 341356959 /nfs/dbraw/zinc/35/69/59/341356959.db2.gz IDUNOFBHQLAASM-QFBILLFUSA-N 2 1 313.489 3.650 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000191506379 521662373 /nfs/dbraw/zinc/66/23/73/521662373.db2.gz UFWOBOREXDVZGF-INIZCTEOSA-N 2 1 310.445 3.790 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000191506379 521662375 /nfs/dbraw/zinc/66/23/75/521662375.db2.gz UFWOBOREXDVZGF-INIZCTEOSA-N 2 1 310.445 3.790 20 30 DHEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001209422830 1013256156 /nfs/dbraw/zinc/25/61/56/1013256156.db2.gz IWNGKWKYZKQXOU-IBGZPJMESA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001209422830 1013256160 /nfs/dbraw/zinc/25/61/60/1013256160.db2.gz IWNGKWKYZKQXOU-IBGZPJMESA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001209422830 1013256165 /nfs/dbraw/zinc/25/61/65/1013256165.db2.gz IWNGKWKYZKQXOU-IBGZPJMESA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001209422830 1013256171 /nfs/dbraw/zinc/25/61/71/1013256171.db2.gz IWNGKWKYZKQXOU-IBGZPJMESA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001209422830 1013256176 /nfs/dbraw/zinc/25/61/76/1013256176.db2.gz IWNGKWKYZKQXOU-IBGZPJMESA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001209436046 1013279952 /nfs/dbraw/zinc/27/99/52/1013279952.db2.gz NFEZUYQAPVRVSI-UHFFFAOYSA-N 2 1 308.510 3.698 20 30 DHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CCC(C#N)CC1 ZINC000931272049 1032086985 /nfs/dbraw/zinc/08/69/85/1032086985.db2.gz PQNUNVPGGUOXQD-UHFFFAOYSA-N 2 1 313.489 3.900 20 30 DHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442780721 1014729784 /nfs/dbraw/zinc/72/97/84/1014729784.db2.gz NITKIJIZNIZIEY-LPHOPBHVSA-N 2 1 323.440 3.693 20 30 DHEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341584603 1015553350 /nfs/dbraw/zinc/55/33/50/1015553350.db2.gz FSUSISZIIHNWLU-DLBZAZTESA-N 2 1 308.510 3.600 20 30 DHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000072974667 1017054172 /nfs/dbraw/zinc/05/41/72/1017054172.db2.gz VHKAYKARLDVWHF-FXAWDEMLSA-N 2 1 311.473 3.645 20 30 DHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000120944087 1032406537 /nfs/dbraw/zinc/40/65/37/1032406537.db2.gz KNCLPXYJEWCKSI-FPOVZHCZSA-N 2 1 312.501 3.885 20 30 DHEDMP CC(C)(CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016909 1032521295 /nfs/dbraw/zinc/52/12/95/1032521295.db2.gz QHNMBQWSWQNYFA-GOSISDBHSA-N 2 1 305.510 3.904 20 30 DHEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563867 1032544779 /nfs/dbraw/zinc/54/47/79/1032544779.db2.gz RUHLSONEQOSSKN-IBGZPJMESA-N 2 1 314.473 3.702 20 30 DHEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563867 1032544786 /nfs/dbraw/zinc/54/47/86/1032544786.db2.gz RUHLSONEQOSSKN-IBGZPJMESA-N 2 1 314.473 3.702 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000424319610 1011975296 /nfs/dbraw/zinc/97/52/96/1011975296.db2.gz FFXIGINLSKGHMU-FDKIHUSFSA-N 2 1 323.484 3.711 20 30 DHEDMP N#Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000921500657 1017213102 /nfs/dbraw/zinc/21/31/02/1017213102.db2.gz GAAKKPZTPAWXDN-UHFFFAOYSA-N 2 1 311.454 3.505 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716679420 1032701086 /nfs/dbraw/zinc/70/10/86/1032701086.db2.gz DCNZIKFGUHUWCR-OTWHNJEPSA-N 2 1 316.514 3.548 20 30 DHEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127264 1018441790 /nfs/dbraw/zinc/44/17/90/1018441790.db2.gz DOWUQBKQHPFVLP-QZTJIDSGSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127264 1018441797 /nfs/dbraw/zinc/44/17/97/1018441797.db2.gz DOWUQBKQHPFVLP-QZTJIDSGSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127264 1018441806 /nfs/dbraw/zinc/44/18/06/1018441806.db2.gz DOWUQBKQHPFVLP-QZTJIDSGSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127264 1018441817 /nfs/dbraw/zinc/44/18/17/1018441817.db2.gz DOWUQBKQHPFVLP-QZTJIDSGSA-N 2 1 304.865 3.725 20 30 DHEDMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000765013332 1018448652 /nfs/dbraw/zinc/44/86/52/1018448652.db2.gz HBGKHXYYRPIWKM-OXJNMPFZSA-N 2 1 311.473 3.691 20 30 DHEDMP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109779 1019088568 /nfs/dbraw/zinc/08/85/68/1019088568.db2.gz ZVRVGYOTQRWKDI-NRFANRHFSA-N 2 1 319.452 3.512 20 30 DHEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109779 1019088582 /nfs/dbraw/zinc/08/85/82/1019088582.db2.gz ZVRVGYOTQRWKDI-NRFANRHFSA-N 2 1 319.452 3.512 20 30 DHEDMP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109779 1019088596 /nfs/dbraw/zinc/08/85/96/1019088596.db2.gz ZVRVGYOTQRWKDI-NRFANRHFSA-N 2 1 319.452 3.512 20 30 DHEDMP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109779 1019088610 /nfs/dbraw/zinc/08/86/10/1019088610.db2.gz ZVRVGYOTQRWKDI-NRFANRHFSA-N 2 1 319.452 3.512 20 30 DHEDMP C#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781424819 1021367750 /nfs/dbraw/zinc/36/77/50/1021367750.db2.gz ZBGLORPSDIVFRH-NJDAHSKKSA-N 2 1 310.485 3.680 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892880688 1021659417 /nfs/dbraw/zinc/65/94/17/1021659417.db2.gz GAEIGVJNULPUOK-UHFFFAOYSA-N 2 1 320.427 3.841 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000132320722 1033005317 /nfs/dbraw/zinc/00/53/17/1033005317.db2.gz MRRPVNGTGBAIIE-UHFFFAOYSA-N 2 1 321.468 3.879 20 30 DHEDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136573 1021921081 /nfs/dbraw/zinc/92/10/81/1021921081.db2.gz KLXQBNDKJZPKRD-XLIONFOSSA-N 2 1 319.452 3.731 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000153060599 1021941753 /nfs/dbraw/zinc/94/17/53/1021941753.db2.gz KKLBYWZMQFUQRP-LIRRHRJNSA-N 2 1 302.437 3.689 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108659 1022266491 /nfs/dbraw/zinc/26/64/91/1022266491.db2.gz USJNNBJGAXGHDQ-VQHPVUNQSA-N 2 1 300.446 3.527 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108659 1022266499 /nfs/dbraw/zinc/26/64/99/1022266499.db2.gz USJNNBJGAXGHDQ-VQHPVUNQSA-N 2 1 300.446 3.527 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108660 1022267848 /nfs/dbraw/zinc/26/78/48/1022267848.db2.gz USJNNBJGAXGHDQ-WCXIOVBPSA-N 2 1 300.446 3.527 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108660 1022267855 /nfs/dbraw/zinc/26/78/55/1022267855.db2.gz USJNNBJGAXGHDQ-WCXIOVBPSA-N 2 1 300.446 3.527 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000538393862 1033050611 /nfs/dbraw/zinc/05/06/11/1033050611.db2.gz JANSOQPWHPEMKK-ZWKOTPCHSA-N 2 1 308.510 3.600 20 30 DHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000859212400 1033099978 /nfs/dbraw/zinc/09/99/78/1033099978.db2.gz IVGVZPKXWNJREE-UHFFFAOYSA-N 2 1 301.478 3.900 20 30 DHEDMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181436790 1023093814 /nfs/dbraw/zinc/09/38/14/1023093814.db2.gz FDQQBYBZGLBOMQ-KRWDZBQOSA-N 2 1 319.452 3.657 20 30 DHEDMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181436790 1023093821 /nfs/dbraw/zinc/09/38/21/1023093821.db2.gz FDQQBYBZGLBOMQ-KRWDZBQOSA-N 2 1 319.452 3.657 20 30 DHEDMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)[nH+]c1 ZINC000181804829 1023735866 /nfs/dbraw/zinc/73/58/66/1023735866.db2.gz VAJCWONTHSSTIM-MRXNPFEDSA-N 2 1 320.440 3.581 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000602514741 1024152393 /nfs/dbraw/zinc/15/23/93/1024152393.db2.gz LVASOTZJXDYWFR-ZWKOTPCHSA-N 2 1 313.489 3.948 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCOCc2ccccc2)CC1 ZINC000877009628 1033205614 /nfs/dbraw/zinc/20/56/14/1033205614.db2.gz ULIBDDRZAOICPF-SFHVURJKSA-N 2 1 316.489 3.612 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453210402 1024403451 /nfs/dbraw/zinc/40/34/51/1024403451.db2.gz JLUTZBVWNCRFRX-XUVXKRRUSA-N 2 1 323.484 3.713 20 30 DHEDMP C=CCCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000117883599 1024616670 /nfs/dbraw/zinc/61/66/70/1024616670.db2.gz RCBMMECOUCXHHZ-UHFFFAOYSA-N 2 1 316.493 3.740 20 30 DHEDMP C=CCCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000117883599 1024616683 /nfs/dbraw/zinc/61/66/83/1024616683.db2.gz RCBMMECOUCXHHZ-UHFFFAOYSA-N 2 1 316.493 3.740 20 30 DHEDMP CCCCCCC[C@@H](CCC)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001172502974 1033231073 /nfs/dbraw/zinc/23/10/73/1033231073.db2.gz UYRIIRDASAATDW-IAGOWNOFSA-N 2 1 314.514 3.776 20 30 DHEDMP N#CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353669508 1025191677 /nfs/dbraw/zinc/19/16/77/1025191677.db2.gz CPLVAENJDRGJSF-XUVXKRRUSA-N 2 1 311.473 3.571 20 30 DHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176113 1025811357 /nfs/dbraw/zinc/81/13/57/1025811357.db2.gz FMALVDSJPRJXNO-UHFFFAOYSA-N 2 1 310.445 3.515 20 30 DHEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176113 1025811381 /nfs/dbraw/zinc/81/13/81/1025811381.db2.gz FMALVDSJPRJXNO-UHFFFAOYSA-N 2 1 310.445 3.515 20 30 DHEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411299613 1025930009 /nfs/dbraw/zinc/93/00/09/1025930009.db2.gz LENWGPDJRYFWPK-GOSISDBHSA-N 2 1 303.494 3.514 20 30 DHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411299613 1025930020 /nfs/dbraw/zinc/93/00/20/1025930020.db2.gz LENWGPDJRYFWPK-GOSISDBHSA-N 2 1 303.494 3.514 20 30 DHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411299613 1025930035 /nfs/dbraw/zinc/93/00/35/1025930035.db2.gz LENWGPDJRYFWPK-GOSISDBHSA-N 2 1 303.494 3.514 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924875883 1026068075 /nfs/dbraw/zinc/06/80/75/1026068075.db2.gz YSUADXJTUYPFJK-CVEARBPZSA-N 2 1 319.518 3.878 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924875883 1026068092 /nfs/dbraw/zinc/06/80/92/1026068092.db2.gz YSUADXJTUYPFJK-CVEARBPZSA-N 2 1 319.518 3.878 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367208166 1028148843 /nfs/dbraw/zinc/14/88/43/1028148843.db2.gz HWIHZEIXNCWORV-APWZRJJASA-N 2 1 323.484 3.816 20 30 DHEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449547482 1028778682 /nfs/dbraw/zinc/77/86/82/1028778682.db2.gz IHHVYKZEAYOTOD-ZMYBRWDISA-N 2 1 311.429 3.565 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567852106 1028964647 /nfs/dbraw/zinc/96/46/47/1028964647.db2.gz PTQSBANTZJOVHI-GOSISDBHSA-N 2 1 316.514 3.692 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567852106 1028964661 /nfs/dbraw/zinc/96/46/61/1028964661.db2.gz PTQSBANTZJOVHI-GOSISDBHSA-N 2 1 316.514 3.692 20 30 DHEDMP N#CC1(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000411315877 1029097456 /nfs/dbraw/zinc/09/74/56/1029097456.db2.gz VMUCWTIXABSMMK-SFHVURJKSA-N 2 1 303.494 3.658 20 30 DHEDMP N#C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248756617 1030767235 /nfs/dbraw/zinc/76/72/35/1030767235.db2.gz GGMIWYUZHYEQEB-OBKBHFTKSA-N 2 1 323.484 3.854 20 30 DHEDMP C#Cc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001144580710 1031718699 /nfs/dbraw/zinc/71/86/99/1031718699.db2.gz FWUATNWQWOLIJJ-UHFFFAOYSA-N 2 1 310.485 3.897 20 30 DHEDMP C[C@]1(C[NH2+]C2CCC(C#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496366 1033324992 /nfs/dbraw/zinc/32/49/92/1033324992.db2.gz QHKMTTFNHPAOKT-LYBXBRPPSA-N 2 1 311.473 3.571 20 30 DHEDMP CCCCCCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001173309744 1033663272 /nfs/dbraw/zinc/66/32/72/1033663272.db2.gz KJDQQAGZCNWHCD-GOSISDBHSA-N 2 1 312.542 3.952 20 30 DHEDMP N#CCC1CCC([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332468 1033692692 /nfs/dbraw/zinc/69/26/92/1033692692.db2.gz LRGZSGABLSQYEP-CTPABKKDSA-N 2 1 303.494 3.973 20 30 DHEDMP C=CCOC1CCC([N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001173317236 1033708896 /nfs/dbraw/zinc/70/88/96/1033708896.db2.gz SYCDZGJHTXMJRU-QHGAOEGBSA-N 2 1 316.489 3.597 20 30 DHEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174270698 1033916702 /nfs/dbraw/zinc/91/67/02/1033916702.db2.gz ZKCCHFBMANXFMQ-MRXNPFEDSA-N 2 1 323.440 3.815 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174270698 1033916713 /nfs/dbraw/zinc/91/67/13/1033916713.db2.gz ZKCCHFBMANXFMQ-MRXNPFEDSA-N 2 1 323.440 3.815 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC001178827086 1035449717 /nfs/dbraw/zinc/44/97/17/1035449717.db2.gz MDMFVVRSKJOPOB-UHFFFAOYSA-N 2 1 306.409 3.631 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC001178827086 1035449719 /nfs/dbraw/zinc/44/97/19/1035449719.db2.gz MDMFVVRSKJOPOB-UHFFFAOYSA-N 2 1 306.409 3.631 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000486810959 1036417409 /nfs/dbraw/zinc/41/74/09/1036417409.db2.gz JTVYVDUDGAXANA-UHFFFAOYSA-N 2 1 313.489 3.811 20 30 DHEDMP CCCCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201762867 1037886168 /nfs/dbraw/zinc/88/61/68/1037886168.db2.gz YBHJJLZSXRMSEV-UXHICEINSA-N 2 1 322.537 3.637 20 30 DHEDMP CCCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201762867 1037886178 /nfs/dbraw/zinc/88/61/78/1037886178.db2.gz YBHJJLZSXRMSEV-UXHICEINSA-N 2 1 322.537 3.637 20 30 DHEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058692 1037905158 /nfs/dbraw/zinc/90/51/58/1037905158.db2.gz HBAGGZQASSOSFQ-HXUWFJFHSA-N 2 1 311.473 3.646 20 30 DHEDMP N#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058692 1037905171 /nfs/dbraw/zinc/90/51/71/1037905171.db2.gz HBAGGZQASSOSFQ-HXUWFJFHSA-N 2 1 311.473 3.646 20 30 DHEDMP C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000586781190 1037967441 /nfs/dbraw/zinc/96/74/41/1037967441.db2.gz CZYGNMVZVSQMMW-DFNIBXOVSA-N 2 1 311.473 3.545 20 30 DHEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000586781190 1037967460 /nfs/dbraw/zinc/96/74/60/1037967460.db2.gz CZYGNMVZVSQMMW-DFNIBXOVSA-N 2 1 311.473 3.545 20 30 DHEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000586781190 1037967468 /nfs/dbraw/zinc/96/74/68/1037967468.db2.gz CZYGNMVZVSQMMW-DFNIBXOVSA-N 2 1 311.473 3.545 20 30 DHEDMP C=CCCSCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595060185 1040025726 /nfs/dbraw/zinc/02/57/26/1040025726.db2.gz UDGVHCCCJRAYSB-PKOBYXMFSA-N 2 1 318.530 3.796 20 30 DHEDMP CC[N@@H+](C[C@H](C)CCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602479957 1041054612 /nfs/dbraw/zinc/05/46/12/1041054612.db2.gz CNWUGSXJWYOAQT-QUCCMNQESA-N 2 1 313.489 3.770 20 30 DHEDMP CC[NH+](C[C@H](C)CCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602479957 1041054624 /nfs/dbraw/zinc/05/46/24/1041054624.db2.gz CNWUGSXJWYOAQT-QUCCMNQESA-N 2 1 313.489 3.770 20 30 DHEDMP CC[NH+](C[C@H](C)CCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602479957 1041054633 /nfs/dbraw/zinc/05/46/33/1041054633.db2.gz CNWUGSXJWYOAQT-QUCCMNQESA-N 2 1 313.489 3.770 20 30 DHEDMP N#CC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602523906 1041071928 /nfs/dbraw/zinc/07/19/28/1041071928.db2.gz IBOSGRMFWUYNPI-SKINQDTJSA-N 2 1 311.473 3.571 20 30 DHEDMP N#CC1CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000602535095 1041092361 /nfs/dbraw/zinc/09/23/61/1041092361.db2.gz MVBVXYXLKJXKSK-NKELODKYSA-N 2 1 303.494 3.703 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285526462 131177409 /nfs/dbraw/zinc/17/74/09/131177409.db2.gz FDKSBTCABVQQCR-MRXNPFEDSA-N 2 1 311.429 3.666 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000556584288 331717076 /nfs/dbraw/zinc/71/70/76/331717076.db2.gz SZDARYKPHTYUSB-OAQYLSRUSA-N 2 1 312.501 3.946 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000153010194 332339179 /nfs/dbraw/zinc/33/91/79/332339179.db2.gz NOBCHJXJSIKDGN-IAGOWNOFSA-N 2 1 316.489 3.817 20 30 DHEDMP C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3ccccc32)CC1 ZINC000153011862 332339907 /nfs/dbraw/zinc/33/99/07/332339907.db2.gz KSKJVZYDUZKJMM-SFHVURJKSA-N 2 1 300.446 3.530 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000153011862 332339908 /nfs/dbraw/zinc/33/99/08/332339908.db2.gz KSKJVZYDUZKJMM-SFHVURJKSA-N 2 1 300.446 3.530 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000294955442 334214691 /nfs/dbraw/zinc/21/46/91/334214691.db2.gz DLPCKWGKPXSEKR-DARKYYSBSA-N 2 1 323.484 3.569 20 30 DHEDMP C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000298704519 334250653 /nfs/dbraw/zinc/25/06/53/334250653.db2.gz TXJFEPRZEYCVET-RLLQIKCJSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000298704519 334250654 /nfs/dbraw/zinc/25/06/54/334250654.db2.gz TXJFEPRZEYCVET-RLLQIKCJSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000298704519 334250655 /nfs/dbraw/zinc/25/06/55/334250655.db2.gz TXJFEPRZEYCVET-RLLQIKCJSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000298704519 334250656 /nfs/dbraw/zinc/25/06/56/334250656.db2.gz TXJFEPRZEYCVET-RLLQIKCJSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](C(=O)NCC1CCCCC1)N1CCC(c2ncc[nH]2)CC1 ZINC000329850618 336089217 /nfs/dbraw/zinc/08/92/17/336089217.db2.gz SKENWIVPNCBLOP-CQSZACIVSA-N 2 1 318.465 3.514 20 30 DHEDMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000329923040 336095873 /nfs/dbraw/zinc/09/58/73/336095873.db2.gz GTGZWUJSJIVIID-UGUYLWEFSA-N 2 1 318.465 3.513 20 30 DHEDMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000329923040 336095874 /nfs/dbraw/zinc/09/58/74/336095874.db2.gz GTGZWUJSJIVIID-UGUYLWEFSA-N 2 1 318.465 3.513 20 30 DHEDMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(C#N)s1 ZINC000183365372 337191466 /nfs/dbraw/zinc/19/14/66/337191466.db2.gz OOONQCBDICIWTC-CQSZACIVSA-N 2 1 317.502 3.925 20 30 DHEDMP N#CCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000398966026 337313385 /nfs/dbraw/zinc/31/33/85/337313385.db2.gz QXEZDECJZDZEBB-UHFFFAOYSA-N 2 1 319.452 3.507 20 30 DHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248869331 337568067 /nfs/dbraw/zinc/56/80/67/337568067.db2.gz QJPWTVRMJHCIKP-MBOZVWFJSA-N 2 1 311.473 3.884 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000268776746 337635423 /nfs/dbraw/zinc/63/54/23/337635423.db2.gz ASOPPWHGDRUCOP-AWEZNQCLSA-N 2 1 319.836 3.674 20 30 DHEDMP C=CC[NH+](C)Cc1cc(Br)ccc1C[N@@H+](C)CC=C ZINC000433242290 338187592 /nfs/dbraw/zinc/18/75/92/338187592.db2.gz DDKANKGUJFLNRG-UHFFFAOYSA-N 2 1 323.278 3.685 20 30 DHEDMP C=CC[NH+](C)Cc1ccc(Br)cc1C[N@H+](C)CC=C ZINC000433242290 338187593 /nfs/dbraw/zinc/18/75/93/338187593.db2.gz DDKANKGUJFLNRG-UHFFFAOYSA-N 2 1 323.278 3.685 20 30 DHEDMP C=CC[NH+](C)Cc1ccc(Br)cc1C[N@@H+](C)CC=C ZINC000433242290 338187594 /nfs/dbraw/zinc/18/75/94/338187594.db2.gz DDKANKGUJFLNRG-UHFFFAOYSA-N 2 1 323.278 3.685 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000540594726 340937351 /nfs/dbraw/zinc/93/73/51/340937351.db2.gz ZFMPMVGQWZLPPG-MOPGFXCFSA-N 2 1 320.521 3.744 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000134172451 341208512 /nfs/dbraw/zinc/20/85/12/341208512.db2.gz XXWGTJCHIBOXLM-UHFFFAOYSA-N 2 1 305.491 3.564 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000152943538 341513445 /nfs/dbraw/zinc/51/34/45/341513445.db2.gz OFCBJTDTHUPUDH-KRWDZBQOSA-N 2 1 300.490 3.983 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000180221296 525269950 /nfs/dbraw/zinc/26/99/50/525269950.db2.gz CRLWNFHPVLSASE-UZLBHIALSA-N 2 1 319.452 3.798 20 30 DHEDMP N#Cc1csc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000748099501 1013288606 /nfs/dbraw/zinc/28/86/06/1013288606.db2.gz SONUZGPXONPYHC-UHFFFAOYSA-N 2 1 317.502 3.754 20 30 DHEDMP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000931222633 1032072592 /nfs/dbraw/zinc/07/25/92/1032072592.db2.gz BMXNVLCBEJVVBY-XRXFAXGQSA-N 2 1 323.484 3.523 20 30 DHEDMP C[C@H](CC[NH2+]Cc1cc(C#N)cs1)[N@H+](C)Cc1ccccc1 ZINC000177708726 1014021412 /nfs/dbraw/zinc/02/14/12/1014021412.db2.gz GWDQWIUWVZGTCI-OAHLLOKOSA-N 2 1 313.470 3.620 20 30 DHEDMP C[C@H](CC[NH2+]Cc1cc(C#N)cs1)[N@@H+](C)Cc1ccccc1 ZINC000177708726 1014021416 /nfs/dbraw/zinc/02/14/16/1014021416.db2.gz GWDQWIUWVZGTCI-OAHLLOKOSA-N 2 1 313.470 3.620 20 30 DHEDMP N#CC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000895133848 1014523655 /nfs/dbraw/zinc/52/36/55/1014523655.db2.gz QUPXSJIYGHUDFX-UFYCRDLUSA-N 2 1 323.484 3.713 20 30 DHEDMP N#CC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000895133848 1014523661 /nfs/dbraw/zinc/52/36/61/1014523661.db2.gz QUPXSJIYGHUDFX-UFYCRDLUSA-N 2 1 323.484 3.713 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413615 1014610483 /nfs/dbraw/zinc/61/04/83/1014610483.db2.gz UXNVFKDEIRPUDW-WMZOPIPTSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413615 1014610491 /nfs/dbraw/zinc/61/04/91/1014610491.db2.gz UXNVFKDEIRPUDW-WMZOPIPTSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413615 1014610499 /nfs/dbraw/zinc/61/04/99/1014610499.db2.gz UXNVFKDEIRPUDW-WMZOPIPTSA-N 2 1 313.489 3.792 20 30 DHEDMP C#CC1CC[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056173 1016959864 /nfs/dbraw/zinc/95/98/64/1016959864.db2.gz CUNWWIRWNWLNMX-ROUUACIJSA-N 2 1 310.485 3.773 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000072974666 1017053690 /nfs/dbraw/zinc/05/36/90/1017053690.db2.gz VHKAYKARLDVWHF-YLJYHZDGSA-N 2 1 311.473 3.645 20 30 DHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000120944229 1032405378 /nfs/dbraw/zinc/40/53/78/1032405378.db2.gz KNCLPXYJEWCKSI-PZJWPPBQSA-N 2 1 312.501 3.885 20 30 DHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000367898931 1018092144 /nfs/dbraw/zinc/09/21/44/1018092144.db2.gz FZCNZKAXUASGCC-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000367898931 1018092151 /nfs/dbraw/zinc/09/21/51/1018092151.db2.gz FZCNZKAXUASGCC-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249421 1019075996 /nfs/dbraw/zinc/07/59/96/1019075996.db2.gz IDUNOFBHQLAASM-VQIMIIECSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249421 1019076011 /nfs/dbraw/zinc/07/60/11/1019076011.db2.gz IDUNOFBHQLAASM-VQIMIIECSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249421 1019076025 /nfs/dbraw/zinc/07/60/25/1019076025.db2.gz IDUNOFBHQLAASM-VQIMIIECSA-N 2 1 313.489 3.650 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166959 1019078131 /nfs/dbraw/zinc/07/81/31/1019078131.db2.gz ZIBNZFPCHKLELT-VYDXJSESSA-N 2 1 322.880 3.951 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166959 1019078152 /nfs/dbraw/zinc/07/81/52/1019078152.db2.gz ZIBNZFPCHKLELT-VYDXJSESSA-N 2 1 322.880 3.951 20 30 DHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000065976549 1019464923 /nfs/dbraw/zinc/46/49/23/1019464923.db2.gz CDDPBLZPNVCWQC-UHFFFAOYSA-N 2 1 307.441 3.688 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611393455 1019468192 /nfs/dbraw/zinc/46/81/92/1019468192.db2.gz UJZWIJXZMIHYTM-IBGZPJMESA-N 2 1 308.429 3.511 20 30 DHEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000318183257 1020030496 /nfs/dbraw/zinc/03/04/96/1020030496.db2.gz WOQFCWGZVIUFMQ-UHFFFAOYSA-N 2 1 317.864 3.519 20 30 DHEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC000347727296 1020193366 /nfs/dbraw/zinc/19/33/66/1020193366.db2.gz STTWIYBCTSOASN-UHFFFAOYSA-N 2 1 323.415 3.583 20 30 DHEDMP N#Cc1ccc(C2=CC[N@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000364601768 1020476726 /nfs/dbraw/zinc/47/67/26/1020476726.db2.gz DDUGMOWSRTUWJS-UHFFFAOYSA-N 2 1 309.457 3.523 20 30 DHEDMP N#Cc1ccc(C2=CC[N@@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000364601768 1020476730 /nfs/dbraw/zinc/47/67/30/1020476730.db2.gz DDUGMOWSRTUWJS-UHFFFAOYSA-N 2 1 309.457 3.523 20 30 DHEDMP CC(C)(S)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077273 1032982583 /nfs/dbraw/zinc/98/25/83/1032982583.db2.gz QNUBPJQWKALPSC-NNZMDNLPSA-N 2 1 318.530 3.870 20 30 DHEDMP N#CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065648 1032989442 /nfs/dbraw/zinc/98/94/42/1032989442.db2.gz PTMJWCHESGVYMU-ACDBMABISA-N 2 1 311.473 3.856 20 30 DHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3cccc(C#N)c3)CC1)C2 ZINC001172121001 1033024561 /nfs/dbraw/zinc/02/45/61/1033024561.db2.gz BDWFQFBHJHADIB-WKCHPHFGSA-N 2 1 323.484 3.753 20 30 DHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(c3cccc(C#N)c3)CC1)C2 ZINC001172121001 1033024574 /nfs/dbraw/zinc/02/45/74/1033024574.db2.gz BDWFQFBHJHADIB-WKCHPHFGSA-N 2 1 323.484 3.753 20 30 DHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000274855523 1022577116 /nfs/dbraw/zinc/57/71/16/1022577116.db2.gz SBEJQUZHFMXJJY-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000274855523 1022577122 /nfs/dbraw/zinc/57/71/22/1022577122.db2.gz SBEJQUZHFMXJJY-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121543 1024180533 /nfs/dbraw/zinc/18/05/33/1024180533.db2.gz NDOBCDZMEWTWDI-KNTRFNDTSA-N 2 1 311.473 3.819 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268873578 1024185170 /nfs/dbraw/zinc/18/51/70/1024185170.db2.gz LERYZZVCCDXEAY-KRWDZBQOSA-N 2 1 324.472 3.563 20 30 DHEDMP C=CCC[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883173140 1024268621 /nfs/dbraw/zinc/26/86/21/1024268621.db2.gz CSNPYLIDWKVNCB-OTWHNJEPSA-N 2 1 314.473 3.617 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001172488239 1033221331 /nfs/dbraw/zinc/22/13/31/1033221331.db2.gz RVYRZECFGPCJLJ-AWEZNQCLSA-N 2 1 305.853 3.672 20 30 DHEDMP C[C@@H](NCC#Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205323 1024742852 /nfs/dbraw/zinc/74/28/52/1024742852.db2.gz CSMDFEPETLPJTK-DENIHFKCSA-N 2 1 318.464 3.538 20 30 DHEDMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205323 1024742859 /nfs/dbraw/zinc/74/28/59/1024742859.db2.gz CSMDFEPETLPJTK-DENIHFKCSA-N 2 1 318.464 3.538 20 30 DHEDMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205323 1024742869 /nfs/dbraw/zinc/74/28/69/1024742869.db2.gz CSMDFEPETLPJTK-DENIHFKCSA-N 2 1 318.464 3.538 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172502986 1033232948 /nfs/dbraw/zinc/23/29/48/1033232948.db2.gz XTDGTJOSOHPGHN-KRWDZBQOSA-N 2 1 311.473 3.591 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172502986 1033232959 /nfs/dbraw/zinc/23/29/59/1033232959.db2.gz XTDGTJOSOHPGHN-KRWDZBQOSA-N 2 1 311.473 3.591 20 30 DHEDMP CCCCCCC[C@@H](CCC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001172508733 1033239015 /nfs/dbraw/zinc/23/90/15/1033239015.db2.gz NKZXCKXNZASHAD-MOPGFXCFSA-N 2 1 309.542 3.528 20 30 DHEDMP C[C@H](CCCC#N)[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001172505355 1033234292 /nfs/dbraw/zinc/23/42/92/1033234292.db2.gz LVXFLJBNYNPYFY-MRXNPFEDSA-N 2 1 317.452 3.804 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093844537 1026131459 /nfs/dbraw/zinc/13/14/59/1026131459.db2.gz CCIXYWNCOWRNJC-INIZCTEOSA-N 2 1 315.461 3.628 20 30 DHEDMP C#Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000809574546 1026551971 /nfs/dbraw/zinc/55/19/71/1026551971.db2.gz MKRSYTHFMJDBIQ-JOCHJYFZSA-N 2 1 318.464 3.622 20 30 DHEDMP C#Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809574546 1026551978 /nfs/dbraw/zinc/55/19/78/1026551978.db2.gz MKRSYTHFMJDBIQ-JOCHJYFZSA-N 2 1 318.464 3.622 20 30 DHEDMP C#Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809574546 1026551984 /nfs/dbraw/zinc/55/19/84/1026551984.db2.gz MKRSYTHFMJDBIQ-JOCHJYFZSA-N 2 1 318.464 3.622 20 30 DHEDMP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000809620139 1026564927 /nfs/dbraw/zinc/56/49/27/1026564927.db2.gz MUFWEKWUJJSEDW-SFHVURJKSA-N 2 1 318.464 3.983 20 30 DHEDMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000421347953 1026958320 /nfs/dbraw/zinc/95/83/20/1026958320.db2.gz GLQBTBKFPAZVQS-GDBMZVCRSA-N 2 1 317.502 3.752 20 30 DHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000368366390 1028343302 /nfs/dbraw/zinc/34/33/02/1028343302.db2.gz CKFJKLINBUQQLU-AQNXPRMDSA-N 2 1 311.473 3.571 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449125458 1028377776 /nfs/dbraw/zinc/37/77/76/1028377776.db2.gz SNFBSCODWKAMHF-UHFFFAOYSA-N 2 1 320.521 3.887 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450495302 1029516013 /nfs/dbraw/zinc/51/60/13/1029516013.db2.gz UKAWMONAOGCHCJ-QGZVFWFLSA-N 2 1 303.494 3.657 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358453526 1030495532 /nfs/dbraw/zinc/49/55/32/1030495532.db2.gz QKTWMASMOJBWBW-FUHWJXTLSA-N 2 1 304.503 3.548 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358453526 1030495539 /nfs/dbraw/zinc/49/55/39/1030495539.db2.gz QKTWMASMOJBWBW-FUHWJXTLSA-N 2 1 304.503 3.548 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248404366 1030744361 /nfs/dbraw/zinc/74/43/61/1030744361.db2.gz QCXCIBGJEMDRGT-SLFFLAALSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@@]1(C[NH2+]C2CCC(C#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496367 1033326112 /nfs/dbraw/zinc/32/61/12/1033326112.db2.gz QHKMTTFNHPAOKT-UUKMXZOPSA-N 2 1 311.473 3.571 20 30 DHEDMP N#CCC1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173331425 1033689286 /nfs/dbraw/zinc/68/92/86/1033689286.db2.gz BHSOBLCYJKKLTO-UHFFFAOYSA-N 2 1 315.436 3.548 20 30 DHEDMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174272026 1033918065 /nfs/dbraw/zinc/91/80/65/1033918065.db2.gz YWWSMRMGUFCYPO-MRXNPFEDSA-N 2 1 323.440 3.673 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174272026 1033918084 /nfs/dbraw/zinc/91/80/84/1033918084.db2.gz YWWSMRMGUFCYPO-MRXNPFEDSA-N 2 1 323.440 3.673 20 30 DHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000176947325 1034122854 /nfs/dbraw/zinc/12/28/54/1034122854.db2.gz HOSLUBPSMHHDMH-UHFFFAOYSA-N 2 1 313.470 3.750 20 30 DHEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001178248965 1035416162 /nfs/dbraw/zinc/41/61/62/1035416162.db2.gz HULCOZPEPJPDAE-IBGZPJMESA-N 2 1 316.489 3.709 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCCC)cc2)CC1 ZINC000236682491 1036971893 /nfs/dbraw/zinc/97/18/93/1036971893.db2.gz PMDVWEGECZZHOM-UHFFFAOYSA-N 2 1 316.489 3.996 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000152996044 1038015981 /nfs/dbraw/zinc/01/59/81/1038015981.db2.gz CYTMVZXWXJMXAV-HXUWFJFHSA-N 2 1 315.505 3.834 20 30 DHEDMP CC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660916 1039261461 /nfs/dbraw/zinc/26/14/61/1039261461.db2.gz PZTNIULSBJXXHB-UHFFFAOYSA-N 2 1 301.478 3.900 20 30 DHEDMP N#CCc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595508926 1040157856 /nfs/dbraw/zinc/15/78/56/1040157856.db2.gz MEHWHICVJDWUPU-UHFFFAOYSA-N 2 1 319.452 3.507 20 30 DHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158261840 1040184377 /nfs/dbraw/zinc/18/43/77/1040184377.db2.gz BUBUESLLAFXUQC-HZPDHXFCSA-N 2 1 322.880 3.810 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000602552147 1041092980 /nfs/dbraw/zinc/09/29/80/1041092980.db2.gz UBTFDOPNOXLOMG-VYDXJSESSA-N 2 1 305.491 3.660 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000602552147 1041092996 /nfs/dbraw/zinc/09/29/96/1041092996.db2.gz UBTFDOPNOXLOMG-VYDXJSESSA-N 2 1 305.491 3.660 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000274253557 334058076 /nfs/dbraw/zinc/05/80/76/334058076.db2.gz ZHVYKMRMWAMCNF-GTAWCEEGSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000274253557 334058077 /nfs/dbraw/zinc/05/80/77/334058077.db2.gz ZHVYKMRMWAMCNF-GTAWCEEGSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000274253561 334058096 /nfs/dbraw/zinc/05/80/96/334058096.db2.gz ZHVYKMRMWAMCNF-MDNKFWRPSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000274253561 334058097 /nfs/dbraw/zinc/05/80/97/334058097.db2.gz ZHVYKMRMWAMCNF-MDNKFWRPSA-N 2 1 311.473 3.569 20 30 DHEDMP N#C[C@H]1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000293598002 334199641 /nfs/dbraw/zinc/19/96/41/334199641.db2.gz OSZNQFMPRHGTHA-PMACEKPBSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000294955463 334214851 /nfs/dbraw/zinc/21/48/51/334214851.db2.gz DLPCKWGKPXSEKR-RKFFNLMFSA-N 2 1 323.484 3.569 20 30 DHEDMP C[C@@H](C(=O)NCC1CCCCC1)N1CCC(c2ncc[nH]2)CC1 ZINC000329850617 336089306 /nfs/dbraw/zinc/08/93/06/336089306.db2.gz SKENWIVPNCBLOP-AWEZNQCLSA-N 2 1 318.465 3.514 20 30 DHEDMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919250 336197014 /nfs/dbraw/zinc/19/70/14/336197014.db2.gz PCEXGICGJPNMOD-KRWDZBQOSA-N 2 1 307.441 3.731 20 30 DHEDMP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000301679635 336322961 /nfs/dbraw/zinc/32/29/61/336322961.db2.gz RLEZRDZFIBPQIC-UHFFFAOYSA-N 2 1 311.429 3.614 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000582612883 337114520 /nfs/dbraw/zinc/11/45/20/337114520.db2.gz XFVJJUCXFNCMIZ-HNNXBMFYSA-N 2 1 322.443 3.916 20 30 DHEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000116367460 337392660 /nfs/dbraw/zinc/39/26/60/337392660.db2.gz YEGWYXCLUWPSLU-KRWDZBQOSA-N 2 1 319.452 3.873 20 30 DHEDMP C[C@@H]1C[C@H](C[NH2+]CC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000120174788 337395452 /nfs/dbraw/zinc/39/54/52/337395452.db2.gz TTYWVTJPYSXOLS-IEBWSBKVSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000421347955 337527854 /nfs/dbraw/zinc/52/78/54/337527854.db2.gz GLQBTBKFPAZVQS-HOCLYGCPSA-N 2 1 317.502 3.752 20 30 DHEDMP CC1(C#N)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000449059334 338589217 /nfs/dbraw/zinc/58/92/17/338589217.db2.gz BJZSQGJTTPCEQR-UHFFFAOYSA-N 2 1 311.473 3.713 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)CC#N ZINC000459737773 339045391 /nfs/dbraw/zinc/04/53/91/339045391.db2.gz WOMWXHDDFJEKMU-UHFFFAOYSA-N 2 1 301.478 3.674 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000470172577 339312670 /nfs/dbraw/zinc/31/26/70/339312670.db2.gz YSUJPXGAFQUJAI-UHFFFAOYSA-N 2 1 300.490 3.983 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474051066 339399317 /nfs/dbraw/zinc/39/93/17/339399317.db2.gz BSAMWIABPSTTPL-CQSZACIVSA-N 2 1 300.437 3.831 20 30 DHEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000131156470 341063300 /nfs/dbraw/zinc/06/33/00/341063300.db2.gz HOBWQIFUHPMYEI-LJQANCHMSA-N 2 1 314.473 3.559 20 30 DHEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000131156470 341063301 /nfs/dbraw/zinc/06/33/01/341063301.db2.gz HOBWQIFUHPMYEI-LJQANCHMSA-N 2 1 314.473 3.559 20 30 DHEDMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000550794943 341323064 /nfs/dbraw/zinc/32/30/64/341323064.db2.gz NHZZTJFLPLLGQN-OTGCGEFBSA-N 2 1 311.473 3.741 20 30 DHEDMP C[N@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000550794943 341323065 /nfs/dbraw/zinc/32/30/65/341323065.db2.gz NHZZTJFLPLLGQN-OTGCGEFBSA-N 2 1 311.473 3.741 20 30 DHEDMP CC(C)(CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016911 1032520259 /nfs/dbraw/zinc/52/02/59/1032520259.db2.gz QHNMBQWSWQNYFA-SFHVURJKSA-N 2 1 305.510 3.904 20 30 DHEDMP C=CCOc1cccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000517536497 1013006942 /nfs/dbraw/zinc/00/69/42/1013006942.db2.gz OIPZRPALSPKONQ-QZTJIDSGSA-N 2 1 316.489 3.709 20 30 DHEDMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174271472 1018405655 /nfs/dbraw/zinc/40/56/55/1018405655.db2.gz KKRNOEPZBBCNSU-UHFFFAOYSA-N 2 1 323.440 3.673 20 30 DHEDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585559 1018430424 /nfs/dbraw/zinc/43/04/24/1018430424.db2.gz KLXFUFQYYPIZLL-UYAOXDASSA-N 2 1 313.489 3.967 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708537130 1018840660 /nfs/dbraw/zinc/84/06/60/1018840660.db2.gz IQOCCTRRLIQDCZ-LMMKCTJWSA-N 2 1 313.489 3.672 20 30 DHEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000921815865 1018899513 /nfs/dbraw/zinc/89/95/13/1018899513.db2.gz KPIGUTHMUSCAKM-UHFFFAOYSA-N 2 1 311.473 3.672 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390340 1019474571 /nfs/dbraw/zinc/47/45/71/1019474571.db2.gz UCOCKBLTLKZDTG-OXJNMPFZSA-N 2 1 311.473 3.790 20 30 DHEDMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000123774915 1020098814 /nfs/dbraw/zinc/09/88/14/1020098814.db2.gz RBYYFWRIOQVLCR-QGZVFWFLSA-N 2 1 319.452 3.873 20 30 DHEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000065981988 1020622820 /nfs/dbraw/zinc/62/28/20/1020622820.db2.gz QGVYZKNCRIALLJ-UHFFFAOYSA-N 2 1 311.473 3.693 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000829180795 1020845418 /nfs/dbraw/zinc/84/54/18/1020845418.db2.gz YBYMHIXUWJUKJY-SCTDSRPQSA-N 2 1 313.489 3.815 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000829180795 1020845423 /nfs/dbraw/zinc/84/54/23/1020845423.db2.gz YBYMHIXUWJUKJY-SCTDSRPQSA-N 2 1 313.489 3.815 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414078617 1020857533 /nfs/dbraw/zinc/85/75/33/1020857533.db2.gz BHTLMTYGMQZCRG-INIZCTEOSA-N 2 1 302.462 3.695 20 30 DHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683363 1021651139 /nfs/dbraw/zinc/65/11/39/1021651139.db2.gz MFFJTNCTGQLYOW-IBGZPJMESA-N 2 1 314.473 3.559 20 30 DHEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683363 1021651148 /nfs/dbraw/zinc/65/11/48/1021651148.db2.gz MFFJTNCTGQLYOW-IBGZPJMESA-N 2 1 314.473 3.559 20 30 DHEDMP C=C(Br)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647895 1021661108 /nfs/dbraw/zinc/66/11/08/1021661108.db2.gz LGXQGGQCCBZKID-GDBMZVCRSA-N 2 1 323.278 3.538 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000695865959 1023037532 /nfs/dbraw/zinc/03/75/32/1023037532.db2.gz VYGQEWQEKJGIMD-PXNSSMCTSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172486132 1033198270 /nfs/dbraw/zinc/19/82/70/1033198270.db2.gz ZDDCGTDNLCZVGW-FRYIKTPZSA-N 2 1 311.473 3.854 20 30 DHEDMP C#CCCCCCC[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000877046513 1033217305 /nfs/dbraw/zinc/21/73/05/1033217305.db2.gz OJKKVSYUPDURBF-UHFFFAOYSA-N 2 1 320.521 3.583 20 30 DHEDMP CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349014838 1024660839 /nfs/dbraw/zinc/66/08/39/1024660839.db2.gz XFTNUTBRUZFYMT-UHFFFAOYSA-N 2 1 313.470 3.703 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000349144753 1024680646 /nfs/dbraw/zinc/68/06/46/1024680646.db2.gz DCSAZIQQIQICAJ-UHFFFAOYSA-N 2 1 310.445 3.538 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000349144753 1024680651 /nfs/dbraw/zinc/68/06/51/1024680651.db2.gz DCSAZIQQIQICAJ-UHFFFAOYSA-N 2 1 310.445 3.538 20 30 DHEDMP CCCCCCC[C@@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001172501846 1033231223 /nfs/dbraw/zinc/23/12/23/1033231223.db2.gz LBUZCKVACPGQHX-SJORKVTESA-N 2 1 314.514 3.776 20 30 DHEDMP C[Si](C)(C)C#C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170331498 1024747156 /nfs/dbraw/zinc/74/71/56/1024747156.db2.gz VYDUPFZRDKXZPK-LDLYASANSA-N 2 1 312.533 3.610 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924875893 1026068655 /nfs/dbraw/zinc/06/86/55/1026068655.db2.gz YSUADXJTUYPFJK-JKSUJKDBSA-N 2 1 319.518 3.878 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924875893 1026068674 /nfs/dbraw/zinc/06/86/74/1026068674.db2.gz YSUADXJTUYPFJK-JKSUJKDBSA-N 2 1 319.518 3.878 20 30 DHEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363460733 1027643510 /nfs/dbraw/zinc/64/35/10/1027643510.db2.gz DGAXPGLQUDIGFV-HZPDHXFCSA-N 2 1 320.864 3.621 20 30 DHEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363460733 1027643517 /nfs/dbraw/zinc/64/35/17/1027643517.db2.gz DGAXPGLQUDIGFV-HZPDHXFCSA-N 2 1 320.864 3.621 20 30 DHEDMP C=CC(C)(C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000527735145 1027852018 /nfs/dbraw/zinc/85/20/18/1027852018.db2.gz KZHVHPDGHGAUIK-UHFFFAOYSA-N 2 1 300.490 3.885 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138776 1028002520 /nfs/dbraw/zinc/00/25/20/1028002520.db2.gz YDPAGBOAGVCSRX-PKOBYXMFSA-N 2 1 313.489 3.674 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449120790 1028377944 /nfs/dbraw/zinc/37/79/44/1028377944.db2.gz FGAJVBZQNQUQTB-UHFFFAOYSA-N 2 1 324.468 3.979 20 30 DHEDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449136838 1028388058 /nfs/dbraw/zinc/38/80/58/1028388058.db2.gz CLATXHULYKUDBG-MUYFXNHWSA-N 2 1 305.510 3.949 20 30 DHEDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449136838 1028388070 /nfs/dbraw/zinc/38/80/70/1028388070.db2.gz CLATXHULYKUDBG-MUYFXNHWSA-N 2 1 305.510 3.949 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579591327 1028443572 /nfs/dbraw/zinc/44/35/72/1028443572.db2.gz JNAQUMIGTGTBDW-IHPCNDPISA-N 2 1 323.484 3.856 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579591327 1028443586 /nfs/dbraw/zinc/44/35/86/1028443586.db2.gz JNAQUMIGTGTBDW-IHPCNDPISA-N 2 1 323.484 3.856 20 30 DHEDMP CCCCCCCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000369592266 1028507167 /nfs/dbraw/zinc/50/71/67/1028507167.db2.gz QPHCRXRQQZDPIU-UHFFFAOYSA-N 2 1 310.526 3.922 20 30 DHEDMP C[C@@H](C#N)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411399256 1029122900 /nfs/dbraw/zinc/12/29/00/1029122900.db2.gz FSKIUNKUVDSIRX-KRWDZBQOSA-N 2 1 311.473 3.797 20 30 DHEDMP N#CC1(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000411397541 1029122784 /nfs/dbraw/zinc/12/27/84/1029122784.db2.gz HUSBFWYJLAVMQO-PKOBYXMFSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CC1(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000411397541 1029122788 /nfs/dbraw/zinc/12/27/88/1029122788.db2.gz HUSBFWYJLAVMQO-PKOBYXMFSA-N 2 1 315.505 3.799 20 30 DHEDMP C[C@@H](C#N)C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411399256 1029122893 /nfs/dbraw/zinc/12/28/93/1029122893.db2.gz FSKIUNKUVDSIRX-KRWDZBQOSA-N 2 1 311.473 3.797 20 30 DHEDMP N#CCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374052397 1029194969 /nfs/dbraw/zinc/19/49/69/1029194969.db2.gz DNTRLWKOBWQHPM-FQEVSTJZSA-N 2 1 311.473 3.668 20 30 DHEDMP N#CCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374052397 1029194973 /nfs/dbraw/zinc/19/49/73/1029194973.db2.gz DNTRLWKOBWQHPM-FQEVSTJZSA-N 2 1 311.473 3.668 20 30 DHEDMP N#CCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374052397 1029194978 /nfs/dbraw/zinc/19/49/78/1029194978.db2.gz DNTRLWKOBWQHPM-FQEVSTJZSA-N 2 1 311.473 3.668 20 30 DHEDMP CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1[O-] ZINC000925309388 1030340071 /nfs/dbraw/zinc/34/00/71/1030340071.db2.gz ZNYBIAIIPUDKNS-QGZVFWFLSA-N 2 1 315.461 3.567 20 30 DHEDMP CCCCCCCC[C@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246418539 1030729751 /nfs/dbraw/zinc/72/97/51/1030729751.db2.gz RJPIFHUMJSACAL-IRXDYDNUSA-N 2 1 314.514 3.776 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000559111257 1031130665 /nfs/dbraw/zinc/13/06/65/1031130665.db2.gz QFXUTEUNDDQPAC-BHIYHBOVSA-N 2 1 303.494 3.655 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782296 1031608651 /nfs/dbraw/zinc/60/86/51/1031608651.db2.gz UNMABGOPHVHQFK-GUYCJALGSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782296 1031608632 /nfs/dbraw/zinc/60/86/32/1031608632.db2.gz UNMABGOPHVHQFK-GUYCJALGSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782296 1031608640 /nfs/dbraw/zinc/60/86/40/1031608640.db2.gz UNMABGOPHVHQFK-GUYCJALGSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782296 1031608664 /nfs/dbraw/zinc/60/86/64/1031608664.db2.gz UNMABGOPHVHQFK-GUYCJALGSA-N 2 1 305.853 3.516 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000361207796 1031788525 /nfs/dbraw/zinc/78/85/25/1031788525.db2.gz AUUSPRJKECRWOP-HXUWFJFHSA-N 2 1 314.473 3.703 20 30 DHEDMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C1 ZINC000174269877 1033916875 /nfs/dbraw/zinc/91/68/75/1033916875.db2.gz WVJRBNRUNPLHRJ-MRXNPFEDSA-N 2 1 323.440 3.673 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)C1 ZINC000174269877 1033916882 /nfs/dbraw/zinc/91/68/82/1033916882.db2.gz WVJRBNRUNPLHRJ-MRXNPFEDSA-N 2 1 323.440 3.673 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168362737 1034167376 /nfs/dbraw/zinc/16/73/76/1034167376.db2.gz FQQIQKOWZLTZOO-MRXNPFEDSA-N 2 1 314.473 3.776 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](CC#Cc2ccccc2)CC1)CC1CC1 ZINC000484058553 1035315553 /nfs/dbraw/zinc/31/55/53/1035315553.db2.gz XETCJSAMMLMCNQ-UHFFFAOYSA-N 2 1 324.512 3.872 20 30 DHEDMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540706945 1036132222 /nfs/dbraw/zinc/13/22/22/1036132222.db2.gz KRYLSSPRVUVSPG-HNNXBMFYSA-N 2 1 305.441 3.860 20 30 DHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271940591 1036721256 /nfs/dbraw/zinc/72/12/56/1036721256.db2.gz OORKSGDQNQMHOW-HZPDHXFCSA-N 2 1 317.452 3.860 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606567 1038476024 /nfs/dbraw/zinc/47/60/24/1038476024.db2.gz XUZHRVWZLLCPKV-HOCLYGCPSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606567 1038476030 /nfs/dbraw/zinc/47/60/30/1038476030.db2.gz XUZHRVWZLLCPKV-HOCLYGCPSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606567 1038476037 /nfs/dbraw/zinc/47/60/37/1038476037.db2.gz XUZHRVWZLLCPKV-HOCLYGCPSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606567 1038476043 /nfs/dbraw/zinc/47/60/43/1038476043.db2.gz XUZHRVWZLLCPKV-HOCLYGCPSA-N 2 1 305.491 3.503 20 30 DHEDMP CC[N@@H+](CCCNCc1ccc(C#N)s1)C1CCCCC1 ZINC000593660668 1038978489 /nfs/dbraw/zinc/97/84/89/1038978489.db2.gz NRNDBYHDTVAKST-UHFFFAOYSA-N 2 1 305.491 3.754 20 30 DHEDMP CC[N@H+](CCC[NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC000593660668 1038978514 /nfs/dbraw/zinc/97/85/14/1038978514.db2.gz NRNDBYHDTVAKST-UHFFFAOYSA-N 2 1 305.491 3.754 20 30 DHEDMP CC[N@@H+](CCC[NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC000593660668 1038978534 /nfs/dbraw/zinc/97/85/34/1038978534.db2.gz NRNDBYHDTVAKST-UHFFFAOYSA-N 2 1 305.491 3.754 20 30 DHEDMP C=CCCSCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595060183 1040024414 /nfs/dbraw/zinc/02/44/14/1040024414.db2.gz UDGVHCCCJRAYSB-IEBWSBKVSA-N 2 1 318.530 3.796 20 30 DHEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000575174890 1040192471 /nfs/dbraw/zinc/19/24/71/1040192471.db2.gz XWTYIIOFYLSCQR-FQEVSTJZSA-N 2 1 324.472 3.596 20 30 DHEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596983078 1040618758 /nfs/dbraw/zinc/61/87/58/1040618758.db2.gz NNZROLJESDQHNU-UHFFFAOYSA-N 2 1 311.473 3.546 20 30 DHEDMP C[C@@H](CCC#N)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000602481977 1041054588 /nfs/dbraw/zinc/05/45/88/1041054588.db2.gz DQUMUEFHDQSRQD-ZWKOTPCHSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000602548503 1041087816 /nfs/dbraw/zinc/08/78/16/1041087816.db2.gz YITBLYYLCSLRSQ-OHSMVPPVSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000602552144 1041092432 /nfs/dbraw/zinc/09/24/32/1041092432.db2.gz UBTFDOPNOXLOMG-BFYDXBDKSA-N 2 1 305.491 3.660 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000602552144 1041092447 /nfs/dbraw/zinc/09/24/47/1041092447.db2.gz UBTFDOPNOXLOMG-BFYDXBDKSA-N 2 1 305.491 3.660 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602574983 1041109896 /nfs/dbraw/zinc/10/98/96/1041109896.db2.gz DCFFLJZJOYPFLT-WSTZPKSXSA-N 2 1 313.489 3.817 20 30 DHEDMP N#CCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643408 1041129040 /nfs/dbraw/zinc/12/90/40/1041129040.db2.gz QOAGSVLPYOQBHB-HKUYNNGSSA-N 2 1 309.457 3.638 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442708810 335035368 /nfs/dbraw/zinc/03/53/68/335035368.db2.gz LPOWHLLZNFPLJF-FUHIMQAGSA-N 2 1 311.473 3.700 20 30 DHEDMP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Cl ZINC000518271609 332004103 /nfs/dbraw/zinc/00/41/03/332004103.db2.gz CBBOGWLGDHWIDO-UHFFFAOYSA-N 2 1 322.880 3.870 20 30 DHEDMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337048 332137638 /nfs/dbraw/zinc/13/76/38/332137638.db2.gz WKZWASQPPICEFX-IBGZPJMESA-N 2 1 313.489 3.770 20 30 DHEDMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337048 332137639 /nfs/dbraw/zinc/13/76/39/332137639.db2.gz WKZWASQPPICEFX-IBGZPJMESA-N 2 1 313.489 3.770 20 30 DHEDMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337048 332137640 /nfs/dbraw/zinc/13/76/40/332137640.db2.gz WKZWASQPPICEFX-IBGZPJMESA-N 2 1 313.489 3.770 20 30 DHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCC(C)(C)C#N ZINC000272005712 334029742 /nfs/dbraw/zinc/02/97/42/334029742.db2.gz IWVPJBDNGBEIGE-UHFFFAOYSA-N 2 1 314.477 3.560 20 30 DHEDMP C=CCOc1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000414719294 334073979 /nfs/dbraw/zinc/07/39/79/334073979.db2.gz UWXYQYLTPRCKMG-INIZCTEOSA-N 2 1 322.880 3.869 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185864374 337252055 /nfs/dbraw/zinc/25/20/55/337252055.db2.gz XHJOHBBVMZTCHZ-HFTRVMKXSA-N 2 1 308.429 3.914 20 30 DHEDMP CC[N@H+](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000507632499 340226838 /nfs/dbraw/zinc/22/68/38/340226838.db2.gz BERGGGAGUXKJGH-UHFFFAOYSA-N 2 1 313.489 3.710 20 30 DHEDMP CC[N@@H+](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000507632499 340226839 /nfs/dbraw/zinc/22/68/39/340226839.db2.gz BERGGGAGUXKJGH-UHFFFAOYSA-N 2 1 313.489 3.710 20 30 DHEDMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507637985 340227042 /nfs/dbraw/zinc/22/70/42/340227042.db2.gz RDIPCYQLEUDWNV-QHGAOEGBSA-N 2 1 313.489 3.710 20 30 DHEDMP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000134983832 341228005 /nfs/dbraw/zinc/22/80/05/341228005.db2.gz YOSRBAZBNHSPDN-UHFFFAOYSA-N 2 1 319.452 3.751 20 30 DHEDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000548486977 341263468 /nfs/dbraw/zinc/26/34/68/341263468.db2.gz ZYOWPGVGPVHOSV-UHFFFAOYSA-N 2 1 319.880 3.764 20 30 DHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000548486977 341263469 /nfs/dbraw/zinc/26/34/69/341263469.db2.gz ZYOWPGVGPVHOSV-UHFFFAOYSA-N 2 1 319.880 3.764 20 30 DHEDMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000245896565 341317654 /nfs/dbraw/zinc/31/76/54/341317654.db2.gz NEIUCLSQZXIKGU-FGTMMUONSA-N 2 1 313.489 3.967 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000191470490 521662689 /nfs/dbraw/zinc/66/26/89/521662689.db2.gz IHJXWBAPDICAIH-INIZCTEOSA-N 2 1 310.445 3.790 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000191470490 521662693 /nfs/dbraw/zinc/66/26/93/521662693.db2.gz IHJXWBAPDICAIH-INIZCTEOSA-N 2 1 310.445 3.790 20 30 DHEDMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000151395106 1013672753 /nfs/dbraw/zinc/67/27/53/1013672753.db2.gz KNTMLNZTRIHKAR-OXQOHEQNSA-N 2 1 311.473 3.691 20 30 DHEDMP C[C@H]1CC([NH+]2CCC(S)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065953 1017257892 /nfs/dbraw/zinc/25/78/92/1017257892.db2.gz ZINVKGRDDAPTRU-HOTGVXAUSA-N 2 1 318.530 3.822 20 30 DHEDMP C[C@@H]1CC([NH+]2CCC(S)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065956 1017260440 /nfs/dbraw/zinc/26/04/40/1017260440.db2.gz ZINVKGRDDAPTRU-HZPDHXFCSA-N 2 1 318.530 3.822 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000080338237 1018452024 /nfs/dbraw/zinc/45/20/24/1018452024.db2.gz MVWDCKCDLKUSEV-MJGOQNOKSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000080338237 1018452027 /nfs/dbraw/zinc/45/20/27/1018452027.db2.gz MVWDCKCDLKUSEV-MJGOQNOKSA-N 2 1 313.489 3.959 20 30 DHEDMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1(C)C ZINC001171630338 1032796266 /nfs/dbraw/zinc/79/62/66/1032796266.db2.gz MYIJJNVAQYJRLM-UHFFFAOYSA-N 2 1 319.880 3.953 20 30 DHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000159324046 1019042636 /nfs/dbraw/zinc/04/26/36/1019042636.db2.gz FQXXBPORKJWLSE-OAHLLOKOSA-N 2 1 322.880 3.953 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392309 1019465624 /nfs/dbraw/zinc/46/56/24/1019465624.db2.gz RGUSRCVORDACRU-HXUWFJFHSA-N 2 1 309.457 3.566 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000924649515 1032957508 /nfs/dbraw/zinc/95/75/08/1032957508.db2.gz PKNSTGXRCOIKPK-KRWDZBQOSA-N 2 1 313.489 3.611 20 30 DHEDMP C#CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781424821 1021367818 /nfs/dbraw/zinc/36/78/18/1021367818.db2.gz ZBGLORPSDIVFRH-PWRODBHTSA-N 2 1 310.485 3.680 20 30 DHEDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000850035773 1021399420 /nfs/dbraw/zinc/39/94/20/1021399420.db2.gz BUSRKWJPMYFJAB-UHFFFAOYSA-N 2 1 311.473 3.594 20 30 DHEDMP C[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000120247317 1022253689 /nfs/dbraw/zinc/25/36/89/1022253689.db2.gz GQJPKVMGEGKTQF-LAUBAEHRSA-N 2 1 319.452 3.558 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000274855527 1022577755 /nfs/dbraw/zinc/57/77/55/1022577755.db2.gz SBEJQUZHFMXJJY-MJGOQNOKSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000274855527 1022577762 /nfs/dbraw/zinc/57/77/62/1022577762.db2.gz SBEJQUZHFMXJJY-MJGOQNOKSA-N 2 1 313.489 3.817 20 30 DHEDMP C=CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000768548100 1022992618 /nfs/dbraw/zinc/99/26/18/1022992618.db2.gz WRRANKMDNACTPK-UHFFFAOYSA-N 2 1 315.505 3.613 20 30 DHEDMP CCCCCCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000792269880 1024657265 /nfs/dbraw/zinc/65/72/65/1024657265.db2.gz XXRITNWWDHQDLJ-PMACEKPBSA-N 2 1 323.569 3.695 20 30 DHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172499496 1033230302 /nfs/dbraw/zinc/23/03/02/1033230302.db2.gz DNZOZUKKUBLEMN-UYAOXDASSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172499496 1033230312 /nfs/dbraw/zinc/23/03/12/1033230312.db2.gz DNZOZUKKUBLEMN-UYAOXDASSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172499496 1033230324 /nfs/dbraw/zinc/23/03/24/1033230324.db2.gz DNZOZUKKUBLEMN-UYAOXDASSA-N 2 1 311.473 3.667 20 30 DHEDMP CCCCCCCC[C@@H](CC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172502946 1033231127 /nfs/dbraw/zinc/23/11/27/1033231127.db2.gz NXOYONAXSARPFE-LJQANCHMSA-N 2 1 311.558 3.743 20 30 DHEDMP CCCCCCC[C@H](CCC)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001172502973 1033231671 /nfs/dbraw/zinc/23/16/71/1033231671.db2.gz UYRIIRDASAATDW-DLBZAZTESA-N 2 1 314.514 3.776 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000163197399 1024984318 /nfs/dbraw/zinc/98/43/18/1024984318.db2.gz FEYVNZXZBCGLAI-VQTJNVASSA-N 2 1 322.456 3.744 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000163197399 1024984327 /nfs/dbraw/zinc/98/43/27/1024984327.db2.gz FEYVNZXZBCGLAI-VQTJNVASSA-N 2 1 322.456 3.744 20 30 DHEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC000353261941 1025004964 /nfs/dbraw/zinc/00/49/64/1025004964.db2.gz DDGXJONWOBPNBT-HXUWFJFHSA-N 2 1 309.457 3.542 20 30 DHEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353384781 1025048186 /nfs/dbraw/zinc/04/81/86/1025048186.db2.gz LAHKPRSVZUWUTK-OXQOHEQNSA-N 2 1 311.473 3.647 20 30 DHEDMP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000353681684 1025196833 /nfs/dbraw/zinc/19/68/33/1025196833.db2.gz WTGWCYHZGGACMH-XERREHJYSA-N 2 1 323.484 3.788 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886617317 1025742700 /nfs/dbraw/zinc/74/27/00/1025742700.db2.gz KKXMKEZFBOMKFS-BWUHRYBWSA-N 2 1 323.484 3.711 20 30 DHEDMP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)[nH+]c1C ZINC000886663012 1025768993 /nfs/dbraw/zinc/76/89/93/1025768993.db2.gz RETIPDFHGSKVIN-HNNXBMFYSA-N 2 1 308.429 3.839 20 30 DHEDMP Cn1cc[nH+]c1CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411243103 1025890331 /nfs/dbraw/zinc/89/03/31/1025890331.db2.gz FMLCIRSFRVCVON-UHFFFAOYSA-N 2 1 314.477 3.539 20 30 DHEDMP C[C@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306082 1025936997 /nfs/dbraw/zinc/93/69/97/1025936997.db2.gz LACIKBABWYSJFJ-QUCCMNQESA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306082 1025937009 /nfs/dbraw/zinc/93/70/09/1025937009.db2.gz LACIKBABWYSJFJ-QUCCMNQESA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306082 1025937018 /nfs/dbraw/zinc/93/70/18/1025937018.db2.gz LACIKBABWYSJFJ-QUCCMNQESA-N 2 1 311.473 3.667 20 30 DHEDMP C=CCOc1ccc(CNCCC[N@H+](C)C2CCCCC2)cc1 ZINC000322049133 1025952298 /nfs/dbraw/zinc/95/22/98/1025952298.db2.gz ALWRYFIDAOPYFO-UHFFFAOYSA-N 2 1 316.489 3.996 20 30 DHEDMP C=CCOc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000322049133 1025952315 /nfs/dbraw/zinc/95/23/15/1025952315.db2.gz ALWRYFIDAOPYFO-UHFFFAOYSA-N 2 1 316.489 3.996 20 30 DHEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1 ZINC000322049133 1025952332 /nfs/dbraw/zinc/95/23/32/1025952332.db2.gz ALWRYFIDAOPYFO-UHFFFAOYSA-N 2 1 316.489 3.996 20 30 DHEDMP Cc1[nH]c(C2CC[NH+](CC3CCC(C#N)CC3)CC2)[nH+]c1C ZINC000931749955 1027246019 /nfs/dbraw/zinc/24/60/19/1027246019.db2.gz XVNOQLWSVURFPD-UHFFFAOYSA-N 2 1 300.450 3.536 20 30 DHEDMP C=C(C)CN1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527657509 1027823916 /nfs/dbraw/zinc/82/39/16/1027823916.db2.gz RXUNAHRDLFPXEH-UHFFFAOYSA-N 2 1 318.408 3.897 20 30 DHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000368366389 1028343427 /nfs/dbraw/zinc/34/34/27/1028343427.db2.gz CKFJKLINBUQQLU-AABGKKOBSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@@H](CC[NH2+]C1CCC(C)(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000449173404 1028414053 /nfs/dbraw/zinc/41/40/53/1028414053.db2.gz GAYUGTLKTNFDCA-KKXNLOMOSA-N 2 1 313.489 3.959 20 30 DHEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817919974 1029275775 /nfs/dbraw/zinc/27/57/75/1029275775.db2.gz XSLLTOFDLQMWQI-YSGRDPCXSA-N 2 1 321.424 3.602 20 30 DHEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000924827179 1030198157 /nfs/dbraw/zinc/19/81/57/1030198157.db2.gz AMLZRAQUPRZAEN-MRXNPFEDSA-N 2 1 301.478 3.945 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358453528 1030494835 /nfs/dbraw/zinc/49/48/35/1030494835.db2.gz QKTWMASMOJBWBW-WMZOPIPTSA-N 2 1 304.503 3.548 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358453528 1030494843 /nfs/dbraw/zinc/49/48/43/1030494843.db2.gz QKTWMASMOJBWBW-WMZOPIPTSA-N 2 1 304.503 3.548 20 30 DHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000248850952 1030775064 /nfs/dbraw/zinc/77/50/64/1030775064.db2.gz OSVXEAZULZFAGZ-IKGGRYGDSA-N 2 1 317.502 3.632 20 30 DHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000248850952 1030775072 /nfs/dbraw/zinc/77/50/72/1030775072.db2.gz OSVXEAZULZFAGZ-IKGGRYGDSA-N 2 1 317.502 3.632 20 30 DHEDMP C[N@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790282 1031564538 /nfs/dbraw/zinc/56/45/38/1031564538.db2.gz DJWHGYRADHKFPC-CEXWTWQISA-N 2 1 311.473 3.551 20 30 DHEDMP C[NH+]1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790282 1031564541 /nfs/dbraw/zinc/56/45/41/1031564541.db2.gz DJWHGYRADHKFPC-CEXWTWQISA-N 2 1 311.473 3.551 20 30 DHEDMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790282 1031564549 /nfs/dbraw/zinc/56/45/49/1031564549.db2.gz DJWHGYRADHKFPC-CEXWTWQISA-N 2 1 311.473 3.551 20 30 DHEDMP N#CC1(CCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000930060778 1031688325 /nfs/dbraw/zinc/68/83/25/1031688325.db2.gz LQJIPGVZZRCYHJ-IEBWSBKVSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CC1(CCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000930060778 1031688333 /nfs/dbraw/zinc/68/83/33/1031688333.db2.gz LQJIPGVZZRCYHJ-IEBWSBKVSA-N 2 1 315.505 3.799 20 30 DHEDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220939 1031957631 /nfs/dbraw/zinc/95/76/31/1031957631.db2.gz FXEPOXAMZCYDTH-KRWDZBQOSA-N 2 1 313.489 3.541 20 30 DHEDMP CCCCCCCC[C@@H](CCC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001173310047 1033663676 /nfs/dbraw/zinc/66/36/76/1033663676.db2.gz OFWQJVAGHKOFKW-UXHICEINSA-N 2 1 323.569 3.918 20 30 DHEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000119427756 1034074461 /nfs/dbraw/zinc/07/44/61/1034074461.db2.gz NWERXXBBZKPYAR-HXUWFJFHSA-N 2 1 307.441 3.594 20 30 DHEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000119427756 1034074475 /nfs/dbraw/zinc/07/44/75/1034074475.db2.gz NWERXXBBZKPYAR-HXUWFJFHSA-N 2 1 307.441 3.594 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898519686 1034082149 /nfs/dbraw/zinc/08/21/49/1034082149.db2.gz QFGHJEFYNCSHRM-ADAARDCZSA-N 2 1 323.484 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865454210 1034654366 /nfs/dbraw/zinc/65/43/66/1034654366.db2.gz UOYCQKZAYKGKAG-UHFFFAOYSA-N 2 1 313.420 3.504 20 30 DHEDMP C=CCCCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176495368 1035280046 /nfs/dbraw/zinc/28/00/46/1035280046.db2.gz IAVOEJLTFQQIML-UHFFFAOYSA-N 2 1 316.489 3.567 20 30 DHEDMP C=CCCCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176495368 1035280048 /nfs/dbraw/zinc/28/00/48/1035280048.db2.gz IAVOEJLTFQQIML-UHFFFAOYSA-N 2 1 316.489 3.567 20 30 DHEDMP C=CCCCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001176495368 1035280053 /nfs/dbraw/zinc/28/00/53/1035280053.db2.gz IAVOEJLTFQQIML-UHFFFAOYSA-N 2 1 316.489 3.567 20 30 DHEDMP C=CCCCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001176495368 1035280059 /nfs/dbraw/zinc/28/00/59/1035280059.db2.gz IAVOEJLTFQQIML-UHFFFAOYSA-N 2 1 316.489 3.567 20 30 DHEDMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000539608557 1035790801 /nfs/dbraw/zinc/79/08/01/1035790801.db2.gz RFVKLECFLCDGIC-OAGGEKHMSA-N 2 1 317.452 3.716 20 30 DHEDMP C=CCCCCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488163020 1036882300 /nfs/dbraw/zinc/88/23/00/1036882300.db2.gz YITKOESBRHDVMC-UHFFFAOYSA-N 2 1 301.478 3.976 20 30 DHEDMP CCCCCCCCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201847153 1037921984 /nfs/dbraw/zinc/92/19/84/1037921984.db2.gz RXTHERGBAZUNJJ-UHFFFAOYSA-N 2 1 309.498 3.867 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC000106245999 1037923095 /nfs/dbraw/zinc/92/30/95/1037923095.db2.gz AIQVNMQSIXVHHM-UHFFFAOYSA-N 2 1 315.505 3.663 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC)c2)CC1 ZINC000152991025 1038027292 /nfs/dbraw/zinc/02/72/92/1038027292.db2.gz RCARCWNCHPXMRL-INIZCTEOSA-N 2 1 302.462 3.776 20 30 DHEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497806 1039801868 /nfs/dbraw/zinc/80/18/68/1039801868.db2.gz GQQFIAHEVOUVOC-GOSISDBHSA-N 2 1 313.489 3.698 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)CCC#N)CC1)CC1CC1 ZINC000602504568 1041072674 /nfs/dbraw/zinc/07/26/74/1041072674.db2.gz HBDZUMHQVCOZHF-QGZVFWFLSA-N 2 1 305.510 3.760 20 30 DHEDMP N#CC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000602524687 1041085257 /nfs/dbraw/zinc/08/52/57/1041085257.db2.gz OXLHHAOYXZGBEJ-CGZBRXJRSA-N 2 1 317.502 3.632 20 30 DHEDMP N#CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000602524687 1041085269 /nfs/dbraw/zinc/08/52/69/1041085269.db2.gz OXLHHAOYXZGBEJ-CGZBRXJRSA-N 2 1 317.502 3.632 20 30 DHEDMP N#CC1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000602535094 1041093400 /nfs/dbraw/zinc/09/34/00/1041093400.db2.gz MVBVXYXLKJXKSK-KVZIAJEVSA-N 2 1 303.494 3.703 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000152986237 332332043 /nfs/dbraw/zinc/33/20/43/332332043.db2.gz NJBXKARPVFLARW-CQSZACIVSA-N 2 1 324.415 3.979 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000152969582 332334023 /nfs/dbraw/zinc/33/40/23/332334023.db2.gz HFFXAWYZIOVHHJ-KRWDZBQOSA-N 2 1 302.487 3.854 20 30 DHEDMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181846613 333172916 /nfs/dbraw/zinc/17/29/16/333172916.db2.gz XJZBXSXXPLCKQW-QGZVFWFLSA-N 2 1 317.477 3.748 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000293598008 334199579 /nfs/dbraw/zinc/19/95/79/334199579.db2.gz OSZNQFMPRHGTHA-WOJBJXKFSA-N 2 1 323.484 3.667 20 30 DHEDMP C[N@@H+](CCC(C)(C)C#N)[C@H]1CCC[NH+](CCC(C)(C)C#N)CC1 ZINC000345731718 335346259 /nfs/dbraw/zinc/34/62/59/335346259.db2.gz TVOXGBYTHQNJOY-KRWDZBQOSA-N 2 1 318.509 3.652 20 30 DHEDMP C[NH+](CCC(C)(C)C#N)[C@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000345731718 335346261 /nfs/dbraw/zinc/34/62/61/335346261.db2.gz TVOXGBYTHQNJOY-KRWDZBQOSA-N 2 1 318.509 3.652 20 30 DHEDMP C[NH+](CCC(C)(C)C#N)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000345731718 335346262 /nfs/dbraw/zinc/34/62/62/335346262.db2.gz TVOXGBYTHQNJOY-KRWDZBQOSA-N 2 1 318.509 3.652 20 30 DHEDMP Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000368649424 336849884 /nfs/dbraw/zinc/84/98/84/336849884.db2.gz DXMWESSDRYKWQN-FXAWDEMLSA-N 2 1 311.473 3.631 20 30 DHEDMP C=C(Br)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375486761 337012096 /nfs/dbraw/zinc/01/20/96/337012096.db2.gz YVIMKHAKIQXMEV-HZPDHXFCSA-N 2 1 323.278 3.568 20 30 DHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515176 337074977 /nfs/dbraw/zinc/07/49/77/337074977.db2.gz FXHWLNLYEQABJS-NDXORKPFSA-N 2 1 319.452 3.902 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000540594727 340937410 /nfs/dbraw/zinc/93/74/10/340937410.db2.gz ZFMPMVGQWZLPPG-OALUTQOASA-N 2 1 320.521 3.744 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000544611045 341088934 /nfs/dbraw/zinc/08/89/34/341088934.db2.gz GGNUADNNFNREQY-ARJAWSKDSA-N 2 1 306.400 3.608 20 30 DHEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000154754856 521020589 /nfs/dbraw/zinc/02/05/89/521020589.db2.gz QLGKFGNWJVPCLN-FQEVSTJZSA-N 2 1 311.473 3.502 20 30 DHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000154754856 521020592 /nfs/dbraw/zinc/02/05/92/521020592.db2.gz QLGKFGNWJVPCLN-FQEVSTJZSA-N 2 1 311.473 3.502 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000191506399 521663128 /nfs/dbraw/zinc/66/31/28/521663128.db2.gz UFWOBOREXDVZGF-MRXNPFEDSA-N 2 1 310.445 3.790 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000191506399 521663130 /nfs/dbraw/zinc/66/31/30/521663130.db2.gz UFWOBOREXDVZGF-MRXNPFEDSA-N 2 1 310.445 3.790 20 30 DHEDMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000442833938 1014747284 /nfs/dbraw/zinc/74/72/84/1014747284.db2.gz VTOTZBGGHWJNHD-GTAWCEEGSA-N 2 1 311.473 3.569 20 30 DHEDMP C#C[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168065510 1017232172 /nfs/dbraw/zinc/23/21/72/1017232172.db2.gz XBRHIXMSESPCCW-GUDVDZBRSA-N 2 1 310.485 3.773 20 30 DHEDMP C#C[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168065510 1017232184 /nfs/dbraw/zinc/23/21/84/1017232184.db2.gz XBRHIXMSESPCCW-GUDVDZBRSA-N 2 1 310.485 3.773 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000092588089 1032504357 /nfs/dbraw/zinc/50/43/57/1032504357.db2.gz UGPZZUSUEBTOQV-QZTJIDSGSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000092588089 1032504361 /nfs/dbraw/zinc/50/43/61/1032504361.db2.gz UGPZZUSUEBTOQV-QZTJIDSGSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000092588089 1032504365 /nfs/dbraw/zinc/50/43/65/1032504365.db2.gz UGPZZUSUEBTOQV-QZTJIDSGSA-N 2 1 305.510 3.903 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182870090 1017964350 /nfs/dbraw/zinc/96/43/50/1017964350.db2.gz QPQCWMMUSXCQEE-IBGZPJMESA-N 2 1 302.437 3.833 20 30 DHEDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585556 1018429386 /nfs/dbraw/zinc/42/93/86/1018429386.db2.gz KLXFUFQYYPIZLL-AZUAARDMSA-N 2 1 313.489 3.967 20 30 DHEDMP C[C@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405067514 1018726658 /nfs/dbraw/zinc/72/66/58/1018726658.db2.gz BPTRPBDNEWESJB-HKUYNNGSSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405067514 1018726670 /nfs/dbraw/zinc/72/66/70/1018726670.db2.gz BPTRPBDNEWESJB-HKUYNNGSSA-N 2 1 311.473 3.571 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000151840210 1019105557 /nfs/dbraw/zinc/10/55/57/1019105557.db2.gz LWAYBKASLWSQFH-UHFFFAOYSA-N 2 1 313.420 3.504 20 30 DHEDMP N#CCC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000310550169 1019173729 /nfs/dbraw/zinc/17/37/29/1019173729.db2.gz WDLXUYDMUPGXLA-UHFFFAOYSA-N 2 1 323.484 3.668 20 30 DHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000390899031 1020234822 /nfs/dbraw/zinc/23/48/22/1020234822.db2.gz PDVJIFYFDCLTIT-GOSISDBHSA-N 2 1 311.473 3.571 20 30 DHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000390899031 1020234831 /nfs/dbraw/zinc/23/48/31/1020234831.db2.gz PDVJIFYFDCLTIT-GOSISDBHSA-N 2 1 311.473 3.571 20 30 DHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000131438490 1032932157 /nfs/dbraw/zinc/93/21/57/1032932157.db2.gz CCKSFUKWUIKBSU-UHFFFAOYSA-N 2 1 313.489 3.770 20 30 DHEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000619466106 1021764577 /nfs/dbraw/zinc/76/45/77/1021764577.db2.gz MXENALJIHKASHL-QLOJAFMTSA-N 2 1 309.457 3.542 20 30 DHEDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136221 1021924033 /nfs/dbraw/zinc/92/40/33/1021924033.db2.gz ZFPGAUMGNJBIBU-XLIONFOSSA-N 2 1 319.452 3.731 20 30 DHEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000651716414 1023486831 /nfs/dbraw/zinc/48/68/31/1023486831.db2.gz XGYKEPSJEZWGGJ-MSOLQXFVSA-N 2 1 320.521 3.744 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC001202602568 1024594776 /nfs/dbraw/zinc/59/47/76/1024594776.db2.gz GARSFMUEHQLRNH-FYWRMAATSA-N 2 1 324.390 3.653 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC001202602568 1024594787 /nfs/dbraw/zinc/59/47/87/1024594787.db2.gz GARSFMUEHQLRNH-FYWRMAATSA-N 2 1 324.390 3.653 20 30 DHEDMP CCCCCCC[C@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001172501845 1033231927 /nfs/dbraw/zinc/23/19/27/1033231927.db2.gz LBUZCKVACPGQHX-IRXDYDNUSA-N 2 1 314.514 3.776 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000350561127 1024825958 /nfs/dbraw/zinc/82/59/58/1024825958.db2.gz RIPYSVYCAGXSBZ-RKDVLTNBSA-N 2 1 323.484 3.607 20 30 DHEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000124712165 1025439900 /nfs/dbraw/zinc/43/99/00/1025439900.db2.gz NRVBXRZTPLHYJK-UHFFFAOYSA-N 2 1 309.866 3.985 20 30 DHEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(Cl)s1 ZINC000124712165 1025439906 /nfs/dbraw/zinc/43/99/06/1025439906.db2.gz NRVBXRZTPLHYJK-UHFFFAOYSA-N 2 1 309.866 3.985 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924875891 1026069807 /nfs/dbraw/zinc/06/98/07/1026069807.db2.gz YSUADXJTUYPFJK-HZPDHXFCSA-N 2 1 319.518 3.878 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924875891 1026069823 /nfs/dbraw/zinc/06/98/23/1026069823.db2.gz YSUADXJTUYPFJK-HZPDHXFCSA-N 2 1 319.518 3.878 20 30 DHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000245567249 1026079307 /nfs/dbraw/zinc/07/93/07/1026079307.db2.gz UGPZZUSUEBTOQV-ROUUACIJSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000245567249 1026079324 /nfs/dbraw/zinc/07/93/24/1026079324.db2.gz UGPZZUSUEBTOQV-ROUUACIJSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000245567249 1026079337 /nfs/dbraw/zinc/07/93/37/1026079337.db2.gz UGPZZUSUEBTOQV-ROUUACIJSA-N 2 1 305.510 3.903 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000809625013 1026574791 /nfs/dbraw/zinc/57/47/91/1026574791.db2.gz UASJNZDRNOPUJT-GCJKJVERSA-N 2 1 318.464 3.811 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000809625013 1026574799 /nfs/dbraw/zinc/57/47/99/1026574799.db2.gz UASJNZDRNOPUJT-GCJKJVERSA-N 2 1 318.464 3.811 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000809623602 1026574946 /nfs/dbraw/zinc/57/49/46/1026574946.db2.gz YLWBCBAGLNQUOM-AZUAARDMSA-N 2 1 324.493 3.902 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000809623602 1026574948 /nfs/dbraw/zinc/57/49/48/1026574948.db2.gz YLWBCBAGLNQUOM-AZUAARDMSA-N 2 1 324.493 3.902 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624079 1026575087 /nfs/dbraw/zinc/57/50/87/1026575087.db2.gz GEWQIDCPKSKEDS-GCJKJVERSA-N 2 1 318.464 3.668 20 30 DHEDMP C#Cc1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809739562 1026610786 /nfs/dbraw/zinc/61/07/86/1026610786.db2.gz OLENMBIEBLJSMI-UHFFFAOYSA-N 2 1 306.453 3.752 20 30 DHEDMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193707 1026704898 /nfs/dbraw/zinc/70/48/98/1026704898.db2.gz PFYIDFYOESMIAI-GPMSIDNRSA-N 2 1 311.473 3.862 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297575943 1027820257 /nfs/dbraw/zinc/82/02/57/1027820257.db2.gz GVMOIEUFRULLLK-MRXNPFEDSA-N 2 1 319.880 3.743 20 30 DHEDMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000368649702 1028387938 /nfs/dbraw/zinc/38/79/38/1028387938.db2.gz HYOFVDQLPHHATE-VBSBHUPXSA-N 2 1 311.473 3.569 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000815652570 1028595605 /nfs/dbraw/zinc/59/56/05/1028595605.db2.gz IIIMUICIYWYJJY-KRWDZBQOSA-N 2 1 324.390 3.701 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000815652570 1028595614 /nfs/dbraw/zinc/59/56/14/1028595614.db2.gz IIIMUICIYWYJJY-KRWDZBQOSA-N 2 1 324.390 3.701 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCC(C)(C)C#N)C1 ZINC000372678892 1028882312 /nfs/dbraw/zinc/88/23/12/1028882312.db2.gz FHEVKKPBOPBYIW-QZTJIDSGSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000372678892 1028882334 /nfs/dbraw/zinc/88/23/34/1028882334.db2.gz FHEVKKPBOPBYIW-QZTJIDSGSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000372678892 1028882357 /nfs/dbraw/zinc/88/23/57/1028882357.db2.gz FHEVKKPBOPBYIW-QZTJIDSGSA-N 2 1 305.510 3.903 20 30 DHEDMP CCCCCCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817284754 1029114046 /nfs/dbraw/zinc/11/40/46/1029114046.db2.gz AKRASLWWCBTPLW-UHFFFAOYSA-N 2 1 323.569 3.839 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374018904 1029189284 /nfs/dbraw/zinc/18/92/84/1029189284.db2.gz QAMFEMIYOPYMCB-XUVXKRRUSA-N 2 1 323.484 3.571 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450495301 1029516627 /nfs/dbraw/zinc/51/66/27/1029516627.db2.gz UKAWMONAOGCHCJ-KRWDZBQOSA-N 2 1 303.494 3.657 20 30 DHEDMP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865805084 1030032044 /nfs/dbraw/zinc/03/20/44/1030032044.db2.gz QDKFFFSZOYIWSB-CUYAVPTFSA-N 2 1 303.494 3.846 20 30 DHEDMP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865805084 1030032056 /nfs/dbraw/zinc/03/20/56/1030032056.db2.gz QDKFFFSZOYIWSB-CUYAVPTFSA-N 2 1 303.494 3.846 20 30 DHEDMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571722 1030540826 /nfs/dbraw/zinc/54/08/26/1030540826.db2.gz PKAUJLAAIVHWIW-LSDHHAIUSA-N 2 1 303.425 3.612 20 30 DHEDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537408032 1031596415 /nfs/dbraw/zinc/59/64/15/1031596415.db2.gz VDLKZQGYJHWVOJ-CQSZACIVSA-N 2 1 303.425 3.612 20 30 DHEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782297 1031607661 /nfs/dbraw/zinc/60/76/61/1031607661.db2.gz UNMABGOPHVHQFK-SUMWQHHRSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782297 1031607671 /nfs/dbraw/zinc/60/76/71/1031607671.db2.gz UNMABGOPHVHQFK-SUMWQHHRSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782297 1031607681 /nfs/dbraw/zinc/60/76/81/1031607681.db2.gz UNMABGOPHVHQFK-SUMWQHHRSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782297 1031607690 /nfs/dbraw/zinc/60/76/90/1031607690.db2.gz UNMABGOPHVHQFK-SUMWQHHRSA-N 2 1 305.853 3.516 20 30 DHEDMP CC(C)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201655 1031760431 /nfs/dbraw/zinc/76/04/31/1031760431.db2.gz PPJLDUARIKZIPW-NSISKUIASA-N 2 1 313.489 3.717 20 30 DHEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)cc(C#N)c3)C2)CC1 ZINC000930310188 1031776481 /nfs/dbraw/zinc/77/64/81/1031776481.db2.gz SMZDGFUMUPTGKB-UHFFFAOYSA-N 2 1 317.864 3.519 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924696462 1033386308 /nfs/dbraw/zinc/38/63/08/1033386308.db2.gz DBCDBLITZXESJP-QGZVFWFLSA-N 2 1 313.489 3.877 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168362736 1034164378 /nfs/dbraw/zinc/16/43/78/1034164378.db2.gz FQQIQKOWZLTZOO-INIZCTEOSA-N 2 1 314.473 3.776 20 30 DHEDMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194722 1034361296 /nfs/dbraw/zinc/36/12/96/1034361296.db2.gz MJHMJZXQVUUCMM-JTDSTZFVSA-N 2 1 311.473 3.862 20 30 DHEDMP C=CCCCCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000487874409 1036758512 /nfs/dbraw/zinc/75/85/12/1036758512.db2.gz FFLJNZKNLMTNPV-HDICACEKSA-N 2 1 308.510 3.554 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCC(C)C)c2)CC1 ZINC000126551431 1038075838 /nfs/dbraw/zinc/07/58/38/1038075838.db2.gz YNKOMFYHMSVVJY-UHFFFAOYSA-N 2 1 316.489 3.852 20 30 DHEDMP C=CCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000594960206 1039966071 /nfs/dbraw/zinc/96/60/71/1039966071.db2.gz NAMPHCPRJIDNJF-PKOBYXMFSA-N 2 1 318.530 3.938 20 30 DHEDMP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000594960206 1039966078 /nfs/dbraw/zinc/96/60/78/1039966078.db2.gz NAMPHCPRJIDNJF-PKOBYXMFSA-N 2 1 318.530 3.938 20 30 DHEDMP C=CCCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000595058654 1040021990 /nfs/dbraw/zinc/02/19/90/1040021990.db2.gz IHJJZKGGDYZQRK-MJGOQNOKSA-N 2 1 318.530 3.796 20 30 DHEDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015440 1040623504 /nfs/dbraw/zinc/62/35/04/1040623504.db2.gz ZXXAKJQSXVIGLQ-LJQANCHMSA-N 2 1 311.473 3.548 20 30 DHEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015440 1040623510 /nfs/dbraw/zinc/62/35/10/1040623510.db2.gz ZXXAKJQSXVIGLQ-LJQANCHMSA-N 2 1 311.473 3.548 20 30 DHEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015440 1040623520 /nfs/dbraw/zinc/62/35/20/1040623520.db2.gz ZXXAKJQSXVIGLQ-LJQANCHMSA-N 2 1 311.473 3.548 20 30 DHEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015440 1040623535 /nfs/dbraw/zinc/62/35/35/1040623535.db2.gz ZXXAKJQSXVIGLQ-LJQANCHMSA-N 2 1 311.473 3.548 20 30 DHEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015440 1040623543 /nfs/dbraw/zinc/62/35/43/1040623543.db2.gz ZXXAKJQSXVIGLQ-LJQANCHMSA-N 2 1 311.473 3.548 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602574976 1041111508 /nfs/dbraw/zinc/11/15/08/1041111508.db2.gz DCFFLJZJOYPFLT-GGPKGHCWSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000602659907 1041144306 /nfs/dbraw/zinc/14/43/06/1041144306.db2.gz YQZMYLPTAXZMFN-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000602659907 1041144319 /nfs/dbraw/zinc/14/43/19/1041144319.db2.gz YQZMYLPTAXZMFN-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP N#CCC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000602785853 1041209875 /nfs/dbraw/zinc/20/98/75/1041209875.db2.gz WHASHWXCUNDPIO-NRFANRHFSA-N 2 1 323.484 3.668 20 30 DHEDMP N#CCC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000602785853 1041209905 /nfs/dbraw/zinc/20/99/05/1041209905.db2.gz WHASHWXCUNDPIO-NRFANRHFSA-N 2 1 323.484 3.668 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000602785853 1041209913 /nfs/dbraw/zinc/20/99/13/1041209913.db2.gz WHASHWXCUNDPIO-NRFANRHFSA-N 2 1 323.484 3.668 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000602785853 1041209925 /nfs/dbraw/zinc/20/99/25/1041209925.db2.gz WHASHWXCUNDPIO-NRFANRHFSA-N 2 1 323.484 3.668 20 30 DHEDMP N#CCC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000602786948 1041213002 /nfs/dbraw/zinc/21/30/02/1041213002.db2.gz MZPKWHUBPBAVGD-PMACEKPBSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000602786948 1041213019 /nfs/dbraw/zinc/21/30/19/1041213019.db2.gz MZPKWHUBPBAVGD-PMACEKPBSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000602786948 1041213034 /nfs/dbraw/zinc/21/30/34/1041213034.db2.gz MZPKWHUBPBAVGD-PMACEKPBSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000602786948 1041213045 /nfs/dbraw/zinc/21/30/45/1041213045.db2.gz MZPKWHUBPBAVGD-PMACEKPBSA-N 2 1 323.484 3.667 20 30 DHEDMP N#Cc1cccc(C2([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000556599644 331719234 /nfs/dbraw/zinc/71/92/34/331719234.db2.gz AFJJAAUVYRGZGK-UHFFFAOYSA-N 2 1 323.484 3.934 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000152998024 332338711 /nfs/dbraw/zinc/33/87/11/332338711.db2.gz JOJJNLOPTWTLAD-LJQANCHMSA-N 2 1 314.473 3.839 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414110913 333904571 /nfs/dbraw/zinc/90/45/71/333904571.db2.gz IMFUIHUCPDEDNN-SJORKVTESA-N 2 1 308.510 3.599 20 30 DHEDMP C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295123171 334219109 /nfs/dbraw/zinc/21/91/09/334219109.db2.gz WWZYGWDGXBIQAZ-ZULIPRJHSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295123131 334219131 /nfs/dbraw/zinc/21/91/31/334219131.db2.gz WVOOKIFCSGEHRO-UMGGQSCQSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000295123131 334219132 /nfs/dbraw/zinc/21/91/32/334219132.db2.gz WVOOKIFCSGEHRO-UMGGQSCQSA-N 2 1 311.473 3.711 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000106246038 336389089 /nfs/dbraw/zinc/38/90/89/336389089.db2.gz WBKPEFULOJTEQT-UHFFFAOYSA-N 2 1 323.278 3.579 20 30 DHEDMP C[C@H](NCc1cc(C#N)ccc1F)c1cccc(-n2ccnc2)c1 ZINC000180648591 337176983 /nfs/dbraw/zinc/17/69/83/337176983.db2.gz VDZDAUZYFXUYIJ-AWEZNQCLSA-N 2 1 320.371 3.734 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185864333 337252078 /nfs/dbraw/zinc/25/20/78/337252078.db2.gz XHJOHBBVMZTCHZ-UWWQBHOKSA-N 2 1 308.429 3.914 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449125384 338595463 /nfs/dbraw/zinc/59/54/63/338595463.db2.gz SBTZSMMWNNVIPY-INIZCTEOSA-N 2 1 312.457 3.994 20 30 DHEDMP CC(C)(CC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000459739723 339045396 /nfs/dbraw/zinc/04/53/96/339045396.db2.gz YZMCZMQGDOZUDM-YQQQUEKLSA-N 2 1 311.473 3.711 20 30 DHEDMP C=CCOc1ccc(C[N@H+](CCC)C2CC[NH2+]CC2)cc1Cl ZINC000470006847 339308225 /nfs/dbraw/zinc/30/82/25/339308225.db2.gz VLZUNCKTTYJJNR-UHFFFAOYSA-N 2 1 322.880 3.869 20 30 DHEDMP C=C(C)CC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509386383 340267970 /nfs/dbraw/zinc/26/79/70/340267970.db2.gz JVFVDTIXCBGOJL-UHFFFAOYSA-N 2 1 316.493 3.740 20 30 DHEDMP C=C(C)CC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509386383 340267971 /nfs/dbraw/zinc/26/79/71/340267971.db2.gz JVFVDTIXCBGOJL-UHFFFAOYSA-N 2 1 316.493 3.740 20 30 DHEDMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512667906 340372010 /nfs/dbraw/zinc/37/20/10/340372010.db2.gz RUWOZVFDSFEMBP-SUMWQHHRSA-N 2 1 305.441 3.714 20 30 DHEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000549191367 341288440 /nfs/dbraw/zinc/28/84/40/341288440.db2.gz NWPWVZGARAFLOL-YLJYHZDGSA-N 2 1 324.472 3.594 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000549191367 341288441 /nfs/dbraw/zinc/28/84/41/341288441.db2.gz NWPWVZGARAFLOL-YLJYHZDGSA-N 2 1 324.472 3.594 20 30 DHEDMP C=CCC[C@@H](CCC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594789 341405899 /nfs/dbraw/zinc/40/58/99/341405899.db2.gz HJZXAKXNVQWSMR-GOSISDBHSA-N 2 1 308.510 3.746 20 30 DHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000181696804 520258223 /nfs/dbraw/zinc/25/82/23/520258223.db2.gz OPRZKJZQQTTXDN-INIZCTEOSA-N 2 1 307.441 3.861 20 30 DHEDMP N#CC12CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)(CC1)CC2 ZINC001167967900 1013345735 /nfs/dbraw/zinc/34/57/35/1013345735.db2.gz KNSOHBDFYRLFLM-HGVRWNOSSA-N 2 1 313.489 3.598 20 30 DHEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000177562281 1013739717 /nfs/dbraw/zinc/73/97/17/1013739717.db2.gz SVYQGXLDMDLIER-QGZVFWFLSA-N 2 1 307.441 3.558 20 30 DHEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000177562281 1013739725 /nfs/dbraw/zinc/73/97/25/1013739725.db2.gz SVYQGXLDMDLIER-QGZVFWFLSA-N 2 1 307.441 3.558 20 30 DHEDMP C=CC[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)(C)C ZINC001140309282 1014474141 /nfs/dbraw/zinc/47/41/41/1014474141.db2.gz ABQWLUOIMMKESV-UHFFFAOYSA-N 2 1 315.505 3.615 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442706543 1014717985 /nfs/dbraw/zinc/71/79/85/1014717985.db2.gz DUOUXNQHUJIKHR-FUHIMQAGSA-N 2 1 311.473 3.843 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442706546 1014719293 /nfs/dbraw/zinc/71/92/93/1014719293.db2.gz DUOUXNQHUJIKHR-HLIPFELVSA-N 2 1 311.473 3.843 20 30 DHEDMP C=CCOc1cccc(C[N@H+](CC)CCC[NH+]2CCCC2)c1 ZINC000349403465 1014765082 /nfs/dbraw/zinc/76/50/82/1014765082.db2.gz BOISRWNOYVXADY-UHFFFAOYSA-N 2 1 302.462 3.559 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](CC)CCC[NH+]2CCCC2)c1 ZINC000349403465 1014765094 /nfs/dbraw/zinc/76/50/94/1014765094.db2.gz BOISRWNOYVXADY-UHFFFAOYSA-N 2 1 302.462 3.559 20 30 DHEDMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000151395017 1016035053 /nfs/dbraw/zinc/03/50/53/1016035053.db2.gz KNTMLNZTRIHKAR-JXFKEZNVSA-N 2 1 311.473 3.691 20 30 DHEDMP C=C(C)C[NH+]1CCC(NCc2cccn2CCC(C)C)CC1 ZINC000119127615 1032266186 /nfs/dbraw/zinc/26/61/86/1032266186.db2.gz CZQAPCHEDOAUQH-UHFFFAOYSA-N 2 1 303.494 3.664 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000119127615 1032266205 /nfs/dbraw/zinc/26/62/05/1032266205.db2.gz CZQAPCHEDOAUQH-UHFFFAOYSA-N 2 1 303.494 3.664 20 30 DHEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563868 1032546205 /nfs/dbraw/zinc/54/62/05/1032546205.db2.gz RUHLSONEQOSSKN-LJQANCHMSA-N 2 1 314.473 3.702 20 30 DHEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563868 1032546208 /nfs/dbraw/zinc/54/62/08/1032546208.db2.gz RUHLSONEQOSSKN-LJQANCHMSA-N 2 1 314.473 3.702 20 30 DHEDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C#N)cc1 ZINC001167960319 1012675645 /nfs/dbraw/zinc/67/56/45/1012675645.db2.gz XYEQKTOXSDNLNF-PHHCVGHBSA-N 2 1 309.457 3.614 20 30 DHEDMP CCc1cccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303908595 1017457704 /nfs/dbraw/zinc/45/77/04/1017457704.db2.gz XQMQFIFUDHWCMH-INIZCTEOSA-N 2 1 316.493 3.630 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000174373035 1018422222 /nfs/dbraw/zinc/42/22/22/1018422222.db2.gz AJRLMAPJGIPAQV-GOSISDBHSA-N 2 1 305.510 3.951 20 30 DHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000247113095 1018704938 /nfs/dbraw/zinc/70/49/38/1018704938.db2.gz QQPUYCQSDJKXCV-HZPDHXFCSA-N 2 1 322.880 3.810 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000127784451 1032784849 /nfs/dbraw/zinc/78/48/49/1032784849.db2.gz ZCXZBTADTZHYFD-UHFFFAOYSA-N 2 1 321.468 3.879 20 30 DHEDMP C#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172081190 1032982818 /nfs/dbraw/zinc/98/28/18/1032982818.db2.gz DGURFKPHFVGKIU-ZBYYUNFXSA-N 2 1 322.496 3.917 20 30 DHEDMP C#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172081190 1032982828 /nfs/dbraw/zinc/98/28/28/1032982828.db2.gz DGURFKPHFVGKIU-ZBYYUNFXSA-N 2 1 322.496 3.917 20 30 DHEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683586 1021651057 /nfs/dbraw/zinc/65/10/57/1021651057.db2.gz FMJPYLIOIXFMCV-SFHVURJKSA-N 2 1 314.473 3.559 20 30 DHEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683586 1021651059 /nfs/dbraw/zinc/65/10/59/1021651059.db2.gz FMJPYLIOIXFMCV-SFHVURJKSA-N 2 1 314.473 3.559 20 30 DHEDMP CCCCCCCCN(CC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117291 1033018976 /nfs/dbraw/zinc/01/89/76/1033018976.db2.gz KWLWQWQYQVRIMT-REPLKXPHSA-N 2 1 309.542 3.623 20 30 DHEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000538426666 1033062296 /nfs/dbraw/zinc/06/22/96/1033062296.db2.gz PEDHSHPDBQZAEU-RHSMWYFYSA-N 2 1 305.491 3.610 20 30 DHEDMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312367 1033082999 /nfs/dbraw/zinc/08/29/99/1033082999.db2.gz GHEVGXWVTQDWBW-QGZVFWFLSA-N 2 1 313.489 3.686 20 30 DHEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000651716415 1023486420 /nfs/dbraw/zinc/48/64/20/1023486420.db2.gz XGYKEPSJEZWGGJ-QZTJIDSGSA-N 2 1 320.521 3.744 20 30 DHEDMP CCC#C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085313 1023888690 /nfs/dbraw/zinc/88/86/90/1023888690.db2.gz GYEDJHDLVWDJTL-WBVHZDCISA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085313 1023888696 /nfs/dbraw/zinc/88/86/96/1023888696.db2.gz GYEDJHDLVWDJTL-WBVHZDCISA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001170085313 1023888705 /nfs/dbraw/zinc/88/87/05/1023888705.db2.gz GYEDJHDLVWDJTL-WBVHZDCISA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085313 1023888713 /nfs/dbraw/zinc/88/87/13/1023888713.db2.gz GYEDJHDLVWDJTL-WBVHZDCISA-N 2 1 304.503 3.612 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC001202602569 1024593958 /nfs/dbraw/zinc/59/39/58/1024593958.db2.gz GARSFMUEHQLRNH-SQFISAMPSA-N 2 1 324.390 3.653 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC001202602569 1024593973 /nfs/dbraw/zinc/59/39/73/1024593973.db2.gz GARSFMUEHQLRNH-SQFISAMPSA-N 2 1 324.390 3.653 20 30 DHEDMP C[C@@H](CCCC#N)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172492293 1033222691 /nfs/dbraw/zinc/22/26/91/1033222691.db2.gz LXPOTBNGTZKZHM-VDGAXYAQSA-N 2 1 324.472 3.713 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172499490 1033228727 /nfs/dbraw/zinc/22/87/27/1033228727.db2.gz DNZOZUKKUBLEMN-AZUAARDMSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172499490 1033228709 /nfs/dbraw/zinc/22/87/09/1033228709.db2.gz DNZOZUKKUBLEMN-AZUAARDMSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172499490 1033228718 /nfs/dbraw/zinc/22/87/18/1033228718.db2.gz DNZOZUKKUBLEMN-AZUAARDMSA-N 2 1 311.473 3.667 20 30 DHEDMP CCCCCCCC[C@@H](CC)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001172501115 1033232277 /nfs/dbraw/zinc/23/22/77/1033232277.db2.gz ABRLFAJYLSWXPI-IAGOWNOFSA-N 2 1 314.514 3.776 20 30 DHEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170359444 1024752725 /nfs/dbraw/zinc/75/27/25/1024752725.db2.gz YBULKPKAKZFNNW-MFRAEPQCSA-N 2 1 323.484 3.605 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000350561125 1024828837 /nfs/dbraw/zinc/82/88/37/1024828837.db2.gz RIPYSVYCAGXSBZ-JWFWCLOMSA-N 2 1 323.484 3.607 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353384897 1025048262 /nfs/dbraw/zinc/04/82/62/1025048262.db2.gz LSBUPTUQSQQKOL-OXJNMPFZSA-N 2 1 311.473 3.790 20 30 DHEDMP C=CCCCCC[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000793525256 1025076593 /nfs/dbraw/zinc/07/65/93/1025076593.db2.gz KIVINNKSAVCSON-GOSISDBHSA-N 2 1 308.510 3.746 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000093088644 1025350143 /nfs/dbraw/zinc/35/01/43/1025350143.db2.gz ZVQHJQKXWSOIQH-UHFFFAOYSA-N 2 1 322.880 3.678 20 30 DHEDMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)[nH+]c1C ZINC000886659498 1025766026 /nfs/dbraw/zinc/76/60/26/1025766026.db2.gz NWZBHXCARPCQAG-UHFFFAOYSA-N 2 1 308.429 3.586 20 30 DHEDMP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000809620138 1026565651 /nfs/dbraw/zinc/56/56/51/1026565651.db2.gz MUFWEKWUJJSEDW-GOSISDBHSA-N 2 1 318.464 3.983 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000809623605 1026574588 /nfs/dbraw/zinc/57/45/88/1026574588.db2.gz YLWBCBAGLNQUOM-UYAOXDASSA-N 2 1 324.493 3.902 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000809623605 1026574594 /nfs/dbraw/zinc/57/45/94/1026574594.db2.gz YLWBCBAGLNQUOM-UYAOXDASSA-N 2 1 324.493 3.902 20 30 DHEDMP N#CCCCC[NH+]1CCCC2(CCC[N@H+](CCCCC#N)C2)C1 ZINC000368240372 1028325520 /nfs/dbraw/zinc/32/55/20/1028325520.db2.gz JBFPNYGEWQJIEL-UHFFFAOYSA-N 2 1 316.493 3.552 20 30 DHEDMP C=CCCCC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000449224239 1028465326 /nfs/dbraw/zinc/46/53/26/1028465326.db2.gz KZEWMSITVVAYKJ-SFHVURJKSA-N 2 1 308.510 3.746 20 30 DHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCC(C)(C)C#N)C1 ZINC000372678895 1028883029 /nfs/dbraw/zinc/88/30/29/1028883029.db2.gz FHEVKKPBOPBYIW-ZWKOTPCHSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000372678895 1028883047 /nfs/dbraw/zinc/88/30/47/1028883047.db2.gz FHEVKKPBOPBYIW-ZWKOTPCHSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000372678895 1028883063 /nfs/dbraw/zinc/88/30/63/1028883063.db2.gz FHEVKKPBOPBYIW-ZWKOTPCHSA-N 2 1 305.510 3.903 20 30 DHEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCCCC(C)(C)C#N)CC2)C1CC1 ZINC000373117315 1028955536 /nfs/dbraw/zinc/95/55/36/1028955536.db2.gz FIKOMIDFXOGRBZ-KRWDZBQOSA-N 2 1 317.521 3.903 20 30 DHEDMP N#CC1(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000411297548 1029099477 /nfs/dbraw/zinc/09/94/77/1029099477.db2.gz UIHGXJAYTBYQEV-SFHVURJKSA-N 2 1 303.494 3.801 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000163311085 1029169045 /nfs/dbraw/zinc/16/90/45/1029169045.db2.gz QQPUYCQSDJKXCV-HOTGVXAUSA-N 2 1 322.880 3.810 20 30 DHEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(C)(C)CCC#N)CC2)C1CC1 ZINC000374284310 1029274409 /nfs/dbraw/zinc/27/44/09/1029274409.db2.gz SVNAEAFIHVPNCQ-INIZCTEOSA-N 2 1 303.494 3.513 20 30 DHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1[O-] ZINC000866231955 1030169107 /nfs/dbraw/zinc/16/91/07/1030169107.db2.gz AVCYQSWRRSVZOK-JKSUJKDBSA-N 2 1 315.461 3.569 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358453527 1030494287 /nfs/dbraw/zinc/49/42/87/1030494287.db2.gz QKTWMASMOJBWBW-SJLPKXTDSA-N 2 1 304.503 3.548 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358453527 1030494290 /nfs/dbraw/zinc/49/42/90/1030494290.db2.gz QKTWMASMOJBWBW-SJLPKXTDSA-N 2 1 304.503 3.548 20 30 DHEDMP CCCCCCCC[C@@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246418540 1030730791 /nfs/dbraw/zinc/73/07/91/1030730791.db2.gz RJPIFHUMJSACAL-SJORKVTESA-N 2 1 314.514 3.776 20 30 DHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000248850959 1030773223 /nfs/dbraw/zinc/77/32/23/1030773223.db2.gz OSVXEAZULZFAGZ-ZACQAIPSSA-N 2 1 317.502 3.632 20 30 DHEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000248850959 1030773236 /nfs/dbraw/zinc/77/32/36/1030773236.db2.gz OSVXEAZULZFAGZ-ZACQAIPSSA-N 2 1 317.502 3.632 20 30 DHEDMP CCCCCCCCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488832 1030906031 /nfs/dbraw/zinc/90/60/31/1030906031.db2.gz LNYNVDDGUKZIHM-RTBURBONSA-N 2 1 311.558 3.837 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360659277 1031509309 /nfs/dbraw/zinc/50/93/09/1031509309.db2.gz XZFVGGRXGGRCPJ-HXUWFJFHSA-N 2 1 322.456 3.901 20 30 DHEDMP N#CC1(CCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000929718275 1031587829 /nfs/dbraw/zinc/58/78/29/1031587829.db2.gz DJSLQZHKWVBDRC-GOSISDBHSA-N 2 1 303.494 3.658 20 30 DHEDMP C=CC[N@@H+](Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200288 1031756851 /nfs/dbraw/zinc/75/68/51/1031756851.db2.gz ALOTUIQFXMFAFD-UHFFFAOYSA-N 2 1 304.484 3.644 20 30 DHEDMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232407 1032018523 /nfs/dbraw/zinc/01/85/23/1032018523.db2.gz RIZGTLLEDVZYGD-QGZVFWFLSA-N 2 1 313.489 3.686 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1Cl ZINC000554888786 1034393140 /nfs/dbraw/zinc/39/31/40/1034393140.db2.gz SSLBFHMWAKNDIN-PBHICJAKSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000554888786 1034393144 /nfs/dbraw/zinc/39/31/44/1034393144.db2.gz SSLBFHMWAKNDIN-PBHICJAKSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000554888786 1034393148 /nfs/dbraw/zinc/39/31/48/1034393148.db2.gz SSLBFHMWAKNDIN-PBHICJAKSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000554888786 1034393154 /nfs/dbraw/zinc/39/31/54/1034393154.db2.gz SSLBFHMWAKNDIN-PBHICJAKSA-N 2 1 322.880 3.677 20 30 DHEDMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000271952660 1036765137 /nfs/dbraw/zinc/76/51/37/1036765137.db2.gz PASHSXKDMVQJDN-AWEZNQCLSA-N 2 1 315.436 3.755 20 30 DHEDMP N#Cc1ccccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806889 1038891812 /nfs/dbraw/zinc/89/18/12/1038891812.db2.gz WUPHIENQWZQDQX-UHFFFAOYSA-N 2 1 311.473 3.646 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599388416 1039146133 /nfs/dbraw/zinc/14/61/33/1039146133.db2.gz GYBRFDROMPTTLR-UHFFFAOYSA-N 2 1 310.445 3.538 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599388416 1039146141 /nfs/dbraw/zinc/14/61/41/1039146141.db2.gz GYBRFDROMPTTLR-UHFFFAOYSA-N 2 1 310.445 3.538 20 30 DHEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497807 1039800452 /nfs/dbraw/zinc/80/04/52/1039800452.db2.gz GQQFIAHEVOUVOC-SFHVURJKSA-N 2 1 313.489 3.698 20 30 DHEDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000173571425 1040339035 /nfs/dbraw/zinc/33/90/35/1040339035.db2.gz PTDVHCHNISQHAG-KRWDZBQOSA-N 2 1 317.477 3.576 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000602565545 1041099833 /nfs/dbraw/zinc/09/98/33/1041099833.db2.gz RZFFPYDYUJOUDG-OYGLOCFBSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000602565545 1041099849 /nfs/dbraw/zinc/09/98/49/1041099849.db2.gz RZFFPYDYUJOUDG-OYGLOCFBSA-N 2 1 311.473 3.711 20 30 DHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000602551233 1041102457 /nfs/dbraw/zinc/10/24/57/1041102457.db2.gz OLRZVHYRVUAAHW-HDWXEKECSA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000602551233 1041102466 /nfs/dbraw/zinc/10/24/66/1041102466.db2.gz OLRZVHYRVUAAHW-HDWXEKECSA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000602551232 1041103843 /nfs/dbraw/zinc/10/38/43/1041103843.db2.gz OLRZVHYRVUAAHW-CSKOPFHVSA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000602551232 1041103849 /nfs/dbraw/zinc/10/38/49/1041103849.db2.gz OLRZVHYRVUAAHW-CSKOPFHVSA-N 2 1 317.502 3.803 20 30 DHEDMP C=CCOc1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000641973326 1041105628 /nfs/dbraw/zinc/10/56/28/1041105628.db2.gz BTPHJRVNPJYKRQ-UHFFFAOYSA-N 2 1 316.489 3.996 20 30 DHEDMP C=CCOc1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000641973326 1041105637 /nfs/dbraw/zinc/10/56/37/1041105637.db2.gz BTPHJRVNPJYKRQ-UHFFFAOYSA-N 2 1 316.489 3.996 20 30 DHEDMP C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602590059 1041106347 /nfs/dbraw/zinc/10/63/47/1041106347.db2.gz VSSVELDIJXUAGL-AILXTGBUSA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc(OC)c2)CC1 ZINC000152959362 332337358 /nfs/dbraw/zinc/33/73/58/332337358.db2.gz GZOHDFMCBDPOTR-IBGZPJMESA-N 2 1 302.462 3.776 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185783857 333214091 /nfs/dbraw/zinc/21/40/91/333214091.db2.gz AOBVRDCBSVJYGU-XLIONFOSSA-N 2 1 311.473 3.631 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000525758775 333238058 /nfs/dbraw/zinc/23/80/58/333238058.db2.gz XHSVVRBCEDGOAK-UHFFFAOYSA-N 2 1 321.468 3.879 20 30 DHEDMP C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295123169 334219128 /nfs/dbraw/zinc/21/91/28/334219128.db2.gz WWZYGWDGXBIQAZ-UMGGQSCQSA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000127420362 334878161 /nfs/dbraw/zinc/87/81/61/334878161.db2.gz MUGXMHUMZSXNGD-UHFFFAOYSA-N 2 1 302.437 3.702 20 30 DHEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000532563562 336255637 /nfs/dbraw/zinc/25/56/37/336255637.db2.gz DFZPKVVLMVODRQ-IEBWSBKVSA-N 2 1 317.452 3.688 20 30 DHEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360656757 336717694 /nfs/dbraw/zinc/71/76/94/336717694.db2.gz KGXWGTVCDWXZLR-MGPUTAFESA-N 2 1 322.456 3.757 20 30 DHEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000363136036 336819126 /nfs/dbraw/zinc/81/91/26/336819126.db2.gz CJHNXIKTLPINGG-UHFFFAOYSA-N 2 1 314.473 3.748 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000582612890 337114591 /nfs/dbraw/zinc/11/45/91/337114591.db2.gz XFVJJUCXFNCMIZ-OAHLLOKOSA-N 2 1 322.443 3.916 20 30 DHEDMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000475355496 339448921 /nfs/dbraw/zinc/44/89/21/339448921.db2.gz VVONLJZJKLHRCD-QHGAOEGBSA-N 2 1 313.489 3.710 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413612 1014610078 /nfs/dbraw/zinc/61/00/78/1014610078.db2.gz UXNVFKDEIRPUDW-AEFFLSMTSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413612 1014610082 /nfs/dbraw/zinc/61/00/82/1014610082.db2.gz UXNVFKDEIRPUDW-AEFFLSMTSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413612 1014610086 /nfs/dbraw/zinc/61/00/86/1014610086.db2.gz UXNVFKDEIRPUDW-AEFFLSMTSA-N 2 1 313.489 3.792 20 30 DHEDMP C[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039025 1015494465 /nfs/dbraw/zinc/49/44/65/1015494465.db2.gz AYSYVHMSZIMLLY-XEMDLRDOSA-N 2 1 311.473 3.664 20 30 DHEDMP C[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039025 1015494470 /nfs/dbraw/zinc/49/44/70/1015494470.db2.gz AYSYVHMSZIMLLY-XEMDLRDOSA-N 2 1 311.473 3.664 20 30 DHEDMP C=CCC(C)(C)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000339418407 1012031776 /nfs/dbraw/zinc/03/17/76/1012031776.db2.gz ZOFAIWOQYQLAFT-UHFFFAOYSA-N 2 1 307.507 3.602 20 30 DHEDMP C=CCC(C)(C)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000339418407 1012031793 /nfs/dbraw/zinc/03/17/93/1012031793.db2.gz ZOFAIWOQYQLAFT-UHFFFAOYSA-N 2 1 307.507 3.602 20 30 DHEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000524461850 1018000944 /nfs/dbraw/zinc/00/09/44/1018000944.db2.gz NDQBBWUPBAEGGR-UHFFFAOYSA-N 2 1 315.848 3.763 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2SC)CC1 ZINC000183500035 1018024975 /nfs/dbraw/zinc/02/49/75/1018024975.db2.gz IQNYJCLXECIBMK-INIZCTEOSA-N 2 1 318.530 3.970 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000177916280 1020600802 /nfs/dbraw/zinc/60/08/02/1020600802.db2.gz GDHYCWDGTJDIFR-KRWDZBQOSA-N 2 1 320.477 3.993 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129777725 1021571350 /nfs/dbraw/zinc/57/13/50/1021571350.db2.gz IAUYXXXTGGMTQE-ZFWWWQNUSA-N 2 1 304.400 3.738 20 30 DHEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683585 1021650535 /nfs/dbraw/zinc/65/05/35/1021650535.db2.gz FMJPYLIOIXFMCV-GOSISDBHSA-N 2 1 314.473 3.559 20 30 DHEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683585 1021650541 /nfs/dbraw/zinc/65/05/41/1021650541.db2.gz FMJPYLIOIXFMCV-GOSISDBHSA-N 2 1 314.473 3.559 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118623 1033025539 /nfs/dbraw/zinc/02/55/39/1033025539.db2.gz SLWMGMALWJDEBQ-XLAORIBOSA-N 2 1 314.473 3.917 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118623 1033025548 /nfs/dbraw/zinc/02/55/48/1033025548.db2.gz SLWMGMALWJDEBQ-XLAORIBOSA-N 2 1 314.473 3.917 20 30 DHEDMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172118530 1033026842 /nfs/dbraw/zinc/02/68/42/1033026842.db2.gz RGFHFRUQXQJZNH-IYWMVGAKSA-N 2 1 311.473 3.860 20 30 DHEDMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172118530 1033026846 /nfs/dbraw/zinc/02/68/46/1033026846.db2.gz RGFHFRUQXQJZNH-IYWMVGAKSA-N 2 1 311.473 3.860 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000538394432 1033050912 /nfs/dbraw/zinc/05/09/12/1033050912.db2.gz ZXCSXMVVFHNUQV-QZTJIDSGSA-N 2 1 308.510 3.600 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000538426670 1033062093 /nfs/dbraw/zinc/06/20/93/1033062093.db2.gz PEDHSHPDBQZAEU-YOEHRIQHSA-N 2 1 305.491 3.610 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095608 1023626727 /nfs/dbraw/zinc/62/67/27/1023626727.db2.gz RMVWVCBDIWFMDK-AABGKKOBSA-N 2 1 323.484 3.571 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000538735183 1033156354 /nfs/dbraw/zinc/15/63/54/1033156354.db2.gz GCALVSDDGWUWKK-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000538735183 1033156361 /nfs/dbraw/zinc/15/63/61/1033156361.db2.gz GCALVSDDGWUWKK-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000538735183 1033156370 /nfs/dbraw/zinc/15/63/70/1033156370.db2.gz GCALVSDDGWUWKK-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000538735183 1033156374 /nfs/dbraw/zinc/15/63/74/1033156374.db2.gz GCALVSDDGWUWKK-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP CCC#C[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085310 1023886826 /nfs/dbraw/zinc/88/68/26/1023886826.db2.gz GYEDJHDLVWDJTL-NVXWUHKLSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001170085310 1023886833 /nfs/dbraw/zinc/88/68/33/1023886833.db2.gz GYEDJHDLVWDJTL-NVXWUHKLSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001170085310 1023886837 /nfs/dbraw/zinc/88/68/37/1023886837.db2.gz GYEDJHDLVWDJTL-NVXWUHKLSA-N 2 1 304.503 3.612 20 30 DHEDMP CCC#C[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085310 1023886838 /nfs/dbraw/zinc/88/68/38/1023886838.db2.gz GYEDJHDLVWDJTL-NVXWUHKLSA-N 2 1 304.503 3.612 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001172480662 1033192408 /nfs/dbraw/zinc/19/24/08/1033192408.db2.gz WNFWSRSCVIWHDY-VBSBHUPXSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285587 1024439316 /nfs/dbraw/zinc/43/93/16/1024439316.db2.gz BUDRDQPIOULHOP-UMGGQSCQSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285587 1024439320 /nfs/dbraw/zinc/43/93/20/1024439320.db2.gz BUDRDQPIOULHOP-UMGGQSCQSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccccc2Cl)CC1 ZINC001172491073 1033223014 /nfs/dbraw/zinc/22/30/14/1033223014.db2.gz CSLYFQVPYHPGLY-AWEZNQCLSA-N 2 1 305.853 3.672 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001172494332 1033226941 /nfs/dbraw/zinc/22/69/41/1033226941.db2.gz YYEMLBHHAHDFNM-CQSZACIVSA-N 2 1 305.853 3.672 20 30 DHEDMP C[C@H](CCCC#N)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001172499144 1033228794 /nfs/dbraw/zinc/22/87/94/1033228794.db2.gz BAZIBOTVKNDDLF-GOSISDBHSA-N 2 1 313.489 3.913 20 30 DHEDMP CCCCCCCC[C@H](CC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001172503144 1033232170 /nfs/dbraw/zinc/23/21/70/1033232170.db2.gz PCFDBTNCOIPAOE-RBUKOAKNSA-N 2 1 309.542 3.528 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172509654 1033238215 /nfs/dbraw/zinc/23/82/15/1033238215.db2.gz NIHQPHCXQMZMOX-MRXNPFEDSA-N 2 1 317.452 3.804 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001172509654 1033238225 /nfs/dbraw/zinc/23/82/25/1033238225.db2.gz NIHQPHCXQMZMOX-MRXNPFEDSA-N 2 1 317.452 3.804 20 30 DHEDMP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793543440 1025087549 /nfs/dbraw/zinc/08/75/49/1025087549.db2.gz UENOFVLLVNVUKY-PKOBYXMFSA-N 2 1 308.510 3.744 20 30 DHEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168620 1025791544 /nfs/dbraw/zinc/79/15/44/1025791544.db2.gz MMOLJBZWBARMLR-GOSISDBHSA-N 2 1 313.489 3.651 20 30 DHEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168620 1025791559 /nfs/dbraw/zinc/79/15/59/1025791559.db2.gz MMOLJBZWBARMLR-GOSISDBHSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169129 1025792742 /nfs/dbraw/zinc/79/27/42/1025792742.db2.gz WNIGMFHGHSBMLU-UHFFFAOYSA-N 2 1 313.489 3.794 20 30 DHEDMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000421347954 1026958150 /nfs/dbraw/zinc/95/81/50/1026958150.db2.gz GLQBTBKFPAZVQS-GOEBONIOSA-N 2 1 317.502 3.752 20 30 DHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000368366391 1028341235 /nfs/dbraw/zinc/34/12/35/1028341235.db2.gz CKFJKLINBUQQLU-HSALFYBXSA-N 2 1 311.473 3.571 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000815652816 1028596152 /nfs/dbraw/zinc/59/61/52/1028596152.db2.gz VDMLFNFIQCVHRS-INIZCTEOSA-N 2 1 304.503 3.793 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000815652816 1028596160 /nfs/dbraw/zinc/59/61/60/1028596160.db2.gz VDMLFNFIQCVHRS-INIZCTEOSA-N 2 1 304.503 3.793 20 30 DHEDMP CC(C)c1nccn1[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000371380039 1028697952 /nfs/dbraw/zinc/69/79/52/1028697952.db2.gz QCWWPYPBUUOPIM-INIZCTEOSA-N 2 1 302.466 3.973 20 30 DHEDMP CC(C)c1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000374274634 1029270326 /nfs/dbraw/zinc/27/03/26/1029270326.db2.gz ZXMJMPHAWKJURC-CQSZACIVSA-N 2 1 314.458 3.777 20 30 DHEDMP CC(C)c1nccn1[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000374274634 1029270345 /nfs/dbraw/zinc/27/03/45/1029270345.db2.gz ZXMJMPHAWKJURC-CQSZACIVSA-N 2 1 314.458 3.777 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924984333 1030241719 /nfs/dbraw/zinc/24/17/19/1030241719.db2.gz RUKVAMYKBJPWMU-INIZCTEOSA-N 2 1 316.489 3.605 20 30 DHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271881052 1031266393 /nfs/dbraw/zinc/26/63/93/1031266393.db2.gz PJKUUXHTSVZENB-OAHLLOKOSA-N 2 1 320.864 3.730 20 30 DHEDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171192880 1031635820 /nfs/dbraw/zinc/63/58/20/1031635820.db2.gz QLFMBKHHXQVRJH-MSOLQXFVSA-N 2 1 321.468 3.586 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000361207795 1031789043 /nfs/dbraw/zinc/78/90/43/1031789043.db2.gz AUUSPRJKECRWOP-FQEVSTJZSA-N 2 1 314.473 3.703 20 30 DHEDMP N#CCC1CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173334559 1033692294 /nfs/dbraw/zinc/69/22/94/1033692294.db2.gz XVQYMWUNSTVOGY-UHFFFAOYSA-N 2 1 315.436 3.548 20 30 DHEDMP CC1(C#N)CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173590720 1033781061 /nfs/dbraw/zinc/78/10/61/1033781061.db2.gz ADYZAIDXRFAOLK-VHQLZKCGSA-N 2 1 303.494 3.973 20 30 DHEDMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174272040 1033919924 /nfs/dbraw/zinc/91/99/24/1033919924.db2.gz YWWSMRMGUFCYPO-INIZCTEOSA-N 2 1 323.440 3.673 20 30 DHEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174272040 1033919934 /nfs/dbraw/zinc/91/99/34/1033919934.db2.gz YWWSMRMGUFCYPO-INIZCTEOSA-N 2 1 323.440 3.673 20 30 DHEDMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(C#N)o3)c2)CC1 ZINC000174352239 1033923339 /nfs/dbraw/zinc/92/33/39/1033923339.db2.gz ZBVHUHQUJXTTGV-UHFFFAOYSA-N 2 1 323.440 3.673 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000339057196 1034112977 /nfs/dbraw/zinc/11/29/77/1034112977.db2.gz AQXRAFLNLZCMEL-UXHICEINSA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000339057195 1034113862 /nfs/dbraw/zinc/11/38/62/1034113862.db2.gz AQXRAFLNLZCMEL-PMACEKPBSA-N 2 1 323.484 3.667 20 30 DHEDMP CN(c1ccccc1C=[NH+]Nc1ccccc1)C1CC[NH+](C)CC1 ZINC000915933446 1037617134 /nfs/dbraw/zinc/61/71/34/1037617134.db2.gz WXMDTZDQUKCOQS-UHFFFAOYSA-N 2 1 322.456 3.663 20 30 DHEDMP C=CCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000595058653 1040022035 /nfs/dbraw/zinc/02/20/35/1040022035.db2.gz IHJJZKGGDYZQRK-IEBWSBKVSA-N 2 1 318.530 3.796 20 30 DHEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000575013995 1040124920 /nfs/dbraw/zinc/12/49/20/1040124920.db2.gz RGWPQILYIUADND-HXUWFJFHSA-N 2 1 324.472 3.596 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012025 1040623274 /nfs/dbraw/zinc/62/32/74/1040623274.db2.gz KNUKPDLCEHCTMI-QFBILLFUSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012025 1040623287 /nfs/dbraw/zinc/62/32/87/1040623287.db2.gz KNUKPDLCEHCTMI-QFBILLFUSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012025 1040623296 /nfs/dbraw/zinc/62/32/96/1040623296.db2.gz KNUKPDLCEHCTMI-QFBILLFUSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597128941 1040658742 /nfs/dbraw/zinc/65/87/42/1040658742.db2.gz KXKWKOBNDNHYMK-UHFFFAOYSA-N 2 1 311.473 3.550 20 30 DHEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CC#N)C1 ZINC000597172527 1040668152 /nfs/dbraw/zinc/66/81/52/1040668152.db2.gz CALRKUZMBDXUGD-LJQANCHMSA-N 2 1 313.489 3.770 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CC#N)C1 ZINC000597172527 1040668156 /nfs/dbraw/zinc/66/81/56/1040668156.db2.gz CALRKUZMBDXUGD-LJQANCHMSA-N 2 1 313.489 3.770 20 30 DHEDMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597172527 1040668159 /nfs/dbraw/zinc/66/81/59/1040668159.db2.gz CALRKUZMBDXUGD-LJQANCHMSA-N 2 1 313.489 3.770 20 30 DHEDMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597172527 1040668164 /nfs/dbraw/zinc/66/81/64/1040668164.db2.gz CALRKUZMBDXUGD-LJQANCHMSA-N 2 1 313.489 3.770 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000602515272 1041061811 /nfs/dbraw/zinc/06/18/11/1041061811.db2.gz PIYZUKLSEVTLKG-MSOLQXFVSA-N 2 1 313.489 3.948 20 30 DHEDMP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000602565542 1041099033 /nfs/dbraw/zinc/09/90/33/1041099033.db2.gz RZFFPYDYUJOUDG-CLPROHDKSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000602565542 1041099046 /nfs/dbraw/zinc/09/90/46/1041099046.db2.gz RZFFPYDYUJOUDG-CLPROHDKSA-N 2 1 311.473 3.711 20 30 DHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000602551234 1041102786 /nfs/dbraw/zinc/10/27/86/1041102786.db2.gz OLRZVHYRVUAAHW-OQGULXLBSA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000602551234 1041102793 /nfs/dbraw/zinc/10/27/93/1041102793.db2.gz OLRZVHYRVUAAHW-OQGULXLBSA-N 2 1 317.502 3.803 20 30 DHEDMP N#CCC1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000602785855 1041213476 /nfs/dbraw/zinc/21/34/76/1041213476.db2.gz WHASHWXCUNDPIO-OAQYLSRUSA-N 2 1 323.484 3.668 20 30 DHEDMP N#CCC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000602785855 1041213488 /nfs/dbraw/zinc/21/34/88/1041213488.db2.gz WHASHWXCUNDPIO-OAQYLSRUSA-N 2 1 323.484 3.668 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000602785855 1041213502 /nfs/dbraw/zinc/21/35/02/1041213502.db2.gz WHASHWXCUNDPIO-OAQYLSRUSA-N 2 1 323.484 3.668 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000602785855 1041213586 /nfs/dbraw/zinc/21/35/86/1041213586.db2.gz WHASHWXCUNDPIO-OAQYLSRUSA-N 2 1 323.484 3.668 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153018046 332340007 /nfs/dbraw/zinc/34/00/07/332340007.db2.gz UIOFNCNKHUXTSI-GOSISDBHSA-N 2 1 317.433 3.676 20 30 DHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174313008 333084725 /nfs/dbraw/zinc/08/47/25/333084725.db2.gz GWQIHIFBPWEVDP-UHFFFAOYSA-N 2 1 301.478 3.946 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000185850884 333214912 /nfs/dbraw/zinc/21/49/12/333214912.db2.gz WITMSFHWGMOWOB-MDNKFWRPSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000185850884 333214914 /nfs/dbraw/zinc/21/49/14/333214914.db2.gz WITMSFHWGMOWOB-MDNKFWRPSA-N 2 1 311.473 3.711 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(CCOC)CCCCC2)CC1 ZINC000189169283 334887902 /nfs/dbraw/zinc/88/79/02/334887902.db2.gz MUKJEHLEIYIUGF-UHFFFAOYSA-N 2 1 308.510 3.604 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532515396 336253180 /nfs/dbraw/zinc/25/31/80/336253180.db2.gz UDIPOEMFKNDPHA-SFHVURJKSA-N 2 1 304.865 3.957 20 30 DHEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301401647 336304477 /nfs/dbraw/zinc/30/44/77/336304477.db2.gz QMNLZFBYSFOXSR-UHFFFAOYSA-N 2 1 301.821 3.951 20 30 DHEDMP C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000374983065 337000920 /nfs/dbraw/zinc/00/09/20/337000920.db2.gz UXLFIYXACVJZQG-UHFFFAOYSA-N 2 1 311.473 3.548 20 30 DHEDMP C[N@H+]1CCCC12CC[NH+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000374983065 337000921 /nfs/dbraw/zinc/00/09/21/337000921.db2.gz UXLFIYXACVJZQG-UHFFFAOYSA-N 2 1 311.473 3.548 20 30 DHEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437664 338369514 /nfs/dbraw/zinc/36/95/14/338369514.db2.gz IFZNGYJOLVYHLR-BBRMVZONSA-N 2 1 305.853 3.516 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479617654 339543897 /nfs/dbraw/zinc/54/38/97/339543897.db2.gz VTTXDEXSJZUJQM-GOSISDBHSA-N 2 1 304.865 3.957 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000249293969 341396078 /nfs/dbraw/zinc/39/60/78/341396078.db2.gz BONGQGORFJXYQB-IAGOWNOFSA-N 2 1 315.461 3.504 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442711059 1014718926 /nfs/dbraw/zinc/71/89/26/1014718926.db2.gz REDGSYCQPAVTLW-UXPWSPDFSA-N 2 1 311.473 3.843 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318361 1014793656 /nfs/dbraw/zinc/79/36/56/1014793656.db2.gz YNQHMYIGVHPGGK-UWJYYQICSA-N 2 1 319.452 3.558 20 30 DHEDMP C#CC1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056171 1016960321 /nfs/dbraw/zinc/96/03/21/1016960321.db2.gz CUNWWIRWNWLNMX-RMFSNUHRSA-N 2 1 310.485 3.773 20 30 DHEDMP C#CC1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056171 1016960328 /nfs/dbraw/zinc/96/03/28/1016960328.db2.gz CUNWWIRWNWLNMX-RMFSNUHRSA-N 2 1 310.485 3.773 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000123195243 1032647912 /nfs/dbraw/zinc/64/79/12/1032647912.db2.gz OTDQRPGWZHGZDD-UHFFFAOYSA-N 2 1 304.400 3.738 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000339009336 1032730131 /nfs/dbraw/zinc/73/01/31/1032730131.db2.gz HOQOXSHCYHBEGJ-NJDAHSKKSA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000339009336 1032730147 /nfs/dbraw/zinc/73/01/47/1032730147.db2.gz HOQOXSHCYHBEGJ-NJDAHSKKSA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000339009336 1032730169 /nfs/dbraw/zinc/73/01/69/1032730169.db2.gz HOQOXSHCYHBEGJ-NJDAHSKKSA-N 2 1 323.484 3.667 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000174373024 1018424059 /nfs/dbraw/zinc/42/40/59/1018424059.db2.gz AJRLMAPJGIPAQV-SFHVURJKSA-N 2 1 305.510 3.951 20 30 DHEDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585557 1018429902 /nfs/dbraw/zinc/42/99/02/1018429902.db2.gz KLXFUFQYYPIZLL-ICSRJNTNSA-N 2 1 313.489 3.967 20 30 DHEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127269 1018442068 /nfs/dbraw/zinc/44/20/68/1018442068.db2.gz DOWUQBKQHPFVLP-ZWKOTPCHSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127269 1018442072 /nfs/dbraw/zinc/44/20/72/1018442072.db2.gz DOWUQBKQHPFVLP-ZWKOTPCHSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127269 1018442079 /nfs/dbraw/zinc/44/20/79/1018442079.db2.gz DOWUQBKQHPFVLP-ZWKOTPCHSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127269 1018442088 /nfs/dbraw/zinc/44/20/88/1018442088.db2.gz DOWUQBKQHPFVLP-ZWKOTPCHSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166961 1019077961 /nfs/dbraw/zinc/07/79/61/1019077961.db2.gz ZIBNZFPCHKLELT-ZOBUZTSGSA-N 2 1 322.880 3.951 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166961 1019077978 /nfs/dbraw/zinc/07/79/78/1019077978.db2.gz ZIBNZFPCHKLELT-ZOBUZTSGSA-N 2 1 322.880 3.951 20 30 DHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921606366 1019106625 /nfs/dbraw/zinc/10/66/25/1019106625.db2.gz INIUPZNPORCZIF-UHFFFAOYSA-N 2 1 313.470 3.750 20 30 DHEDMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000123774718 1020100578 /nfs/dbraw/zinc/10/05/78/1020100578.db2.gz RBYYFWRIOQVLCR-KRWDZBQOSA-N 2 1 319.452 3.873 20 30 DHEDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000414174642 1020962929 /nfs/dbraw/zinc/96/29/29/1020962929.db2.gz GQZZHKNYHGCWJL-JXFKEZNVSA-N 2 1 311.473 3.647 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374277199 1021136743 /nfs/dbraw/zinc/13/67/43/1021136743.db2.gz JELOTVZEPISQQT-FQEVSTJZSA-N 2 1 313.489 3.818 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987709 1032972543 /nfs/dbraw/zinc/97/25/43/1032972543.db2.gz HUBGCDWZZAIIGK-QUCCMNQESA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987709 1032972553 /nfs/dbraw/zinc/97/25/53/1032972553.db2.gz HUBGCDWZZAIIGK-QUCCMNQESA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987709 1032972561 /nfs/dbraw/zinc/97/25/61/1032972561.db2.gz HUBGCDWZZAIIGK-QUCCMNQESA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987709 1032972578 /nfs/dbraw/zinc/97/25/78/1032972578.db2.gz HUBGCDWZZAIIGK-QUCCMNQESA-N 2 1 310.485 3.775 20 30 DHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000850426332 1021525474 /nfs/dbraw/zinc/52/54/74/1021525474.db2.gz UGBZMLNDHDZJRT-QZTJIDSGSA-N 2 1 310.445 3.800 20 30 DHEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000850426334 1021526181 /nfs/dbraw/zinc/52/61/81/1021526181.db2.gz UGBZMLNDHDZJRT-ZWKOTPCHSA-N 2 1 310.445 3.800 20 30 DHEDMP C#C[C@](C)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069236 1032995919 /nfs/dbraw/zinc/99/59/19/1032995919.db2.gz HPNOUIZENAZIGT-MXEMCNAFSA-N 2 1 310.485 3.964 20 30 DHEDMP C#C[C@](C)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069236 1032995935 /nfs/dbraw/zinc/99/59/35/1032995935.db2.gz HPNOUIZENAZIGT-MXEMCNAFSA-N 2 1 310.485 3.964 20 30 DHEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124261 1033022138 /nfs/dbraw/zinc/02/21/38/1033022138.db2.gz KBMDZUKCJCBMJM-XODKDNOYSA-N 2 1 308.469 3.624 20 30 DHEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124261 1033022150 /nfs/dbraw/zinc/02/21/50/1033022150.db2.gz KBMDZUKCJCBMJM-XODKDNOYSA-N 2 1 308.469 3.624 20 30 DHEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124261 1033022158 /nfs/dbraw/zinc/02/21/58/1033022158.db2.gz KBMDZUKCJCBMJM-XODKDNOYSA-N 2 1 308.469 3.624 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153658111 1022234730 /nfs/dbraw/zinc/23/47/30/1022234730.db2.gz IWSXGYFQPQWSPY-AWEZNQCLSA-N 2 1 306.425 3.525 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768168289 1022911503 /nfs/dbraw/zinc/91/15/03/1022911503.db2.gz HOMFDOJFSYCRCB-UHFFFAOYSA-N 2 1 324.468 3.945 20 30 DHEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510691 1033088920 /nfs/dbraw/zinc/08/89/20/1033088920.db2.gz DKDARDXSGSEJTH-CVEARBPZSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510691 1033088935 /nfs/dbraw/zinc/08/89/35/1033088935.db2.gz DKDARDXSGSEJTH-CVEARBPZSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510692 1033089627 /nfs/dbraw/zinc/08/96/27/1033089627.db2.gz DKDARDXSGSEJTH-HOTGVXAUSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510692 1033089639 /nfs/dbraw/zinc/08/96/39/1033089639.db2.gz DKDARDXSGSEJTH-HOTGVXAUSA-N 2 1 317.452 3.716 20 30 DHEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353384779 1025046129 /nfs/dbraw/zinc/04/61/29/1025046129.db2.gz LAHKPRSVZUWUTK-OXJNMPFZSA-N 2 1 311.473 3.647 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000809623604 1026575723 /nfs/dbraw/zinc/57/57/23/1026575723.db2.gz YLWBCBAGLNQUOM-QUCCMNQESA-N 2 1 324.493 3.902 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000809623604 1026575731 /nfs/dbraw/zinc/57/57/31/1026575731.db2.gz YLWBCBAGLNQUOM-QUCCMNQESA-N 2 1 324.493 3.902 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624081 1026575815 /nfs/dbraw/zinc/57/58/15/1026575815.db2.gz GEWQIDCPKSKEDS-XMSQKQJNSA-N 2 1 318.464 3.668 20 30 DHEDMP C=CCOc1ccccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739010 1026610705 /nfs/dbraw/zinc/61/07/05/1026610705.db2.gz TVELFPKREZFUAJ-UHFFFAOYSA-N 2 1 324.468 3.945 20 30 DHEDMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421356940 1026972435 /nfs/dbraw/zinc/97/24/35/1026972435.db2.gz YVBMVJFHPQWURB-KBXCAEBGSA-N 2 1 317.502 3.752 20 30 DHEDMP C=C(Cl)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370969 1027622711 /nfs/dbraw/zinc/62/27/11/1027622711.db2.gz MKULWERXCROMAL-UHFFFAOYSA-N 2 1 304.865 3.727 20 30 DHEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000365598212 1027980121 /nfs/dbraw/zinc/98/01/21/1027980121.db2.gz KQAATSIBIZYPBE-SJLPKXTDSA-N 2 1 303.494 3.655 20 30 DHEDMP CC(C)(C#N)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365598212 1027980137 /nfs/dbraw/zinc/98/01/37/1027980137.db2.gz KQAATSIBIZYPBE-SJLPKXTDSA-N 2 1 303.494 3.655 20 30 DHEDMP CC(C)(C#N)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000365598212 1027980157 /nfs/dbraw/zinc/98/01/57/1027980157.db2.gz KQAATSIBIZYPBE-SJLPKXTDSA-N 2 1 303.494 3.655 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138775 1028001598 /nfs/dbraw/zinc/00/15/98/1028001598.db2.gz YDPAGBOAGVCSRX-MJGOQNOKSA-N 2 1 313.489 3.674 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000815652552 1028596056 /nfs/dbraw/zinc/59/60/56/1028596056.db2.gz HVJGCOLGRMJXTD-CYBMUJFWSA-N 2 1 312.429 3.607 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000815652552 1028596065 /nfs/dbraw/zinc/59/60/65/1028596065.db2.gz HVJGCOLGRMJXTD-CYBMUJFWSA-N 2 1 312.429 3.607 20 30 DHEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449486161 1028697463 /nfs/dbraw/zinc/69/74/63/1028697463.db2.gz QQFORWFRNYHCBO-UHFFFAOYSA-N 2 1 304.453 3.634 20 30 DHEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449547477 1028776544 /nfs/dbraw/zinc/77/65/44/1028776544.db2.gz IHHVYKZEAYOTOD-KYNGSXCRSA-N 2 1 311.429 3.565 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](CC2(C#N)CCC2)CC1)CC(C)C ZINC000450644773 1029587221 /nfs/dbraw/zinc/58/72/21/1029587221.db2.gz DSSLEKVZQNMNMV-UHFFFAOYSA-N 2 1 305.510 3.760 20 30 DHEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@H](C[NH3+])CC(C)C ZINC001246017241 1029635620 /nfs/dbraw/zinc/63/56/20/1029635620.db2.gz XXCXQAPCCPSYTL-ROUUACIJSA-N 2 1 300.531 3.841 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000559111260 1031129227 /nfs/dbraw/zinc/12/92/27/1031129227.db2.gz QFXUTEUNDDQPAC-NEWSRXKRSA-N 2 1 303.494 3.655 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000872138965 1031534037 /nfs/dbraw/zinc/53/40/37/1031534037.db2.gz CHNIEJYCRBXOHC-HMXCVIKNSA-N 2 1 322.496 3.965 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000872138965 1031534046 /nfs/dbraw/zinc/53/40/46/1031534046.db2.gz CHNIEJYCRBXOHC-HMXCVIKNSA-N 2 1 322.496 3.965 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929644972 1031566584 /nfs/dbraw/zinc/56/65/84/1031566584.db2.gz YYWQXBRMUCQGCJ-FVELJTHGSA-N 2 1 317.521 3.903 20 30 DHEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929690818 1031580021 /nfs/dbraw/zinc/58/00/21/1031580021.db2.gz WHUBZWSQQXNKTJ-LJQANCHMSA-N 2 1 311.473 3.625 20 30 DHEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCC2(C#N)CCC2)C1 ZINC000929762800 1031602346 /nfs/dbraw/zinc/60/23/46/1031602346.db2.gz IZJPIBCSFGICLB-SFHVURJKSA-N 2 1 303.494 3.514 20 30 DHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929762800 1031602348 /nfs/dbraw/zinc/60/23/48/1031602348.db2.gz IZJPIBCSFGICLB-SFHVURJKSA-N 2 1 303.494 3.514 20 30 DHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929762800 1031602353 /nfs/dbraw/zinc/60/23/53/1031602353.db2.gz IZJPIBCSFGICLB-SFHVURJKSA-N 2 1 303.494 3.514 20 30 DHEDMP CC(C)C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201656 1031761022 /nfs/dbraw/zinc/76/10/22/1031761022.db2.gz PPJLDUARIKZIPW-VDGAXYAQSA-N 2 1 313.489 3.717 20 30 DHEDMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000151380506 1033443929 /nfs/dbraw/zinc/44/39/29/1033443929.db2.gz YUOPBRBVZKCIFM-UZLBHIALSA-N 2 1 311.473 3.691 20 30 DHEDMP CCCCCCCC[C@H](CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173308610 1033662643 /nfs/dbraw/zinc/66/26/43/1033662643.db2.gz BKWJULXNMHNOBY-SJORKVTESA-N 2 1 309.498 3.837 20 30 DHEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174272168 1033919188 /nfs/dbraw/zinc/91/91/88/1033919188.db2.gz XLIMGCMFMHGYEM-MRXNPFEDSA-N 2 1 323.440 3.815 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174272168 1033919194 /nfs/dbraw/zinc/91/91/94/1033919194.db2.gz XLIMGCMFMHGYEM-MRXNPFEDSA-N 2 1 323.440 3.815 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000539608558 1035791485 /nfs/dbraw/zinc/79/14/85/1035791485.db2.gz RFVKLECFLCDGIC-OWCLPIDISA-N 2 1 317.452 3.716 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000539608558 1035791494 /nfs/dbraw/zinc/79/14/94/1035791494.db2.gz RFVKLECFLCDGIC-OWCLPIDISA-N 2 1 317.452 3.716 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000539817767 1035871667 /nfs/dbraw/zinc/87/16/67/1035871667.db2.gz NERVYZOYRKVPIA-WMZOPIPTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000539817767 1035871690 /nfs/dbraw/zinc/87/16/90/1035871690.db2.gz NERVYZOYRKVPIA-WMZOPIPTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000539817767 1035871714 /nfs/dbraw/zinc/87/17/14/1035871714.db2.gz NERVYZOYRKVPIA-WMZOPIPTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccccc1CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000539818363 1035872959 /nfs/dbraw/zinc/87/29/59/1035872959.db2.gz XHBDHSMJUYBTPD-AEFFLSMTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000539837968 1035880313 /nfs/dbraw/zinc/88/03/13/1035880313.db2.gz GFIDHQVTMJAALT-FUHWJXTLSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000539837968 1035880373 /nfs/dbraw/zinc/88/03/73/1035880373.db2.gz GFIDHQVTMJAALT-FUHWJXTLSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000539837968 1035880400 /nfs/dbraw/zinc/88/04/00/1035880400.db2.gz GFIDHQVTMJAALT-FUHWJXTLSA-N 2 1 302.462 3.556 20 30 DHEDMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540706951 1036132006 /nfs/dbraw/zinc/13/20/06/1036132006.db2.gz KRYLSSPRVUVSPG-OAHLLOKOSA-N 2 1 305.441 3.860 20 30 DHEDMP C#C[C@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001195558819 1036288115 /nfs/dbraw/zinc/28/81/15/1036288115.db2.gz QUPLHRFNOWDSNL-FQEVSTJZSA-N 2 1 324.512 3.676 20 30 DHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272219331 1036335536 /nfs/dbraw/zinc/33/55/36/1036335536.db2.gz RPYKOEZJIVIXCF-UWJYYQICSA-N 2 1 319.452 3.558 20 30 DHEDMP C[N@H+](CC#Cc1ccccc1Cl)CCCC[NH+]1CCCCC1 ZINC001197284769 1036736002 /nfs/dbraw/zinc/73/60/02/1036736002.db2.gz LLXHGXSOSYXYLY-UHFFFAOYSA-N 2 1 318.892 3.889 20 30 DHEDMP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062426608 1039773952 /nfs/dbraw/zinc/77/39/52/1039773952.db2.gz ZDILQHGZYNVWRB-OAQYLSRUSA-N 2 1 319.452 3.560 20 30 DHEDMP C[C@H](CCC#N)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000602481952 1041054813 /nfs/dbraw/zinc/05/48/13/1041054813.db2.gz DQUMUEFHDQSRQD-MSOLQXFVSA-N 2 1 305.510 3.903 20 30 DHEDMP N#CCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643412 1041129594 /nfs/dbraw/zinc/12/95/94/1041129594.db2.gz QOAGSVLPYOQBHB-PKOBYXMFSA-N 2 1 309.457 3.638 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284299257 335011164 /nfs/dbraw/zinc/01/11/64/335011164.db2.gz YONVVUAVAPYPGV-MRXNPFEDSA-N 2 1 302.462 3.700 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000185850907 333215047 /nfs/dbraw/zinc/21/50/47/333215047.db2.gz WITMSFHWGMOWOB-FFGOWVMKSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000185850907 333215049 /nfs/dbraw/zinc/21/50/49/333215049.db2.gz WITMSFHWGMOWOB-FFGOWVMKSA-N 2 1 311.473 3.711 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414078619 333892586 /nfs/dbraw/zinc/89/25/86/333892586.db2.gz BHTLMTYGMQZCRG-MRXNPFEDSA-N 2 1 302.462 3.695 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295136086 334219622 /nfs/dbraw/zinc/21/96/22/334219622.db2.gz YTOQZURJGBDPRE-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000296373617 334233119 /nfs/dbraw/zinc/23/31/19/334233119.db2.gz JHSJNEURTCZAPX-RKFFNLMFSA-N 2 1 323.484 3.854 20 30 DHEDMP C[C@H](CCC#N)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000298706678 334250881 /nfs/dbraw/zinc/25/08/81/334250881.db2.gz TXJFEPRZEYCVET-YZGWKJHDSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000298706678 334250884 /nfs/dbraw/zinc/25/08/84/334250884.db2.gz TXJFEPRZEYCVET-YZGWKJHDSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000298706678 334250885 /nfs/dbraw/zinc/25/08/85/334250885.db2.gz TXJFEPRZEYCVET-YZGWKJHDSA-N 2 1 311.473 3.665 20 30 DHEDMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)[nH+]1 ZINC000181766224 337184638 /nfs/dbraw/zinc/18/46/38/337184638.db2.gz VFEZAJMSHNRDKH-MRXNPFEDSA-N 2 1 320.440 3.581 20 30 DHEDMP C=CCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463274554 339112825 /nfs/dbraw/zinc/11/28/25/339112825.db2.gz FWOLEMLCZOMOAD-UHFFFAOYSA-N 2 1 304.453 3.779 20 30 DHEDMP C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654737 340371257 /nfs/dbraw/zinc/37/12/57/340371257.db2.gz OHXYNHPLUYHVHM-XHSDSOJGSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665886 340371920 /nfs/dbraw/zinc/37/19/20/340371920.db2.gz HVGBSKHZVHWWRK-NVXWUHKLSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665886 340371921 /nfs/dbraw/zinc/37/19/21/340371921.db2.gz HVGBSKHZVHWWRK-NVXWUHKLSA-N 2 1 317.452 3.716 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000538426667 340823272 /nfs/dbraw/zinc/82/32/72/340823272.db2.gz PEDHSHPDBQZAEU-WMLDXEAASA-N 2 1 305.491 3.610 20 30 DHEDMP C[C@@H](CCNCc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000080206558 341270776 /nfs/dbraw/zinc/27/07/76/341270776.db2.gz BIAOYXIVUHCRAV-KRWDZBQOSA-N 2 1 307.441 3.558 20 30 DHEDMP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000080206558 341270778 /nfs/dbraw/zinc/27/07/78/341270778.db2.gz BIAOYXIVUHCRAV-KRWDZBQOSA-N 2 1 307.441 3.558 20 30 DHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000248403837 341376603 /nfs/dbraw/zinc/37/66/03/341376603.db2.gz PFYIDFYOESMIAI-BXWFABGCSA-N 2 1 311.473 3.862 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000152998715 341516589 /nfs/dbraw/zinc/51/65/89/341516589.db2.gz FEHXDXABWBZAEM-AWEZNQCLSA-N 2 1 304.503 3.928 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000048716615 1013931646 /nfs/dbraw/zinc/93/16/46/1013931646.db2.gz WEDSCMCCZVQMMT-UHFFFAOYSA-N 2 1 319.452 3.621 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442710947 1014720562 /nfs/dbraw/zinc/72/05/62/1014720562.db2.gz REDGSYCQPAVTLW-AHRSYUTCSA-N 2 1 311.473 3.843 20 30 DHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442780722 1014730317 /nfs/dbraw/zinc/73/03/17/1014730317.db2.gz NITKIJIZNIZIEY-QFBILLFUSA-N 2 1 323.440 3.693 20 30 DHEDMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000442833937 1014747717 /nfs/dbraw/zinc/74/77/17/1014747717.db2.gz VTOTZBGGHWJNHD-BTHPGYMESA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)CN1CCC([NH2+]Cc2ccccc2OC(C)C)CC1 ZINC000106246330 1015181617 /nfs/dbraw/zinc/18/16/17/1015181617.db2.gz SAODPLHUCIVRNA-UHFFFAOYSA-N 2 1 302.462 3.604 20 30 DHEDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000342861634 1017612849 /nfs/dbraw/zinc/61/28/49/1017612849.db2.gz YMIRVVHBLJGVRD-UHFFFAOYSA-N 2 1 310.445 3.612 20 30 DHEDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000342861634 1017612860 /nfs/dbraw/zinc/61/28/60/1017612860.db2.gz YMIRVVHBLJGVRD-UHFFFAOYSA-N 2 1 310.445 3.612 20 30 DHEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000339009335 1032730700 /nfs/dbraw/zinc/73/07/00/1032730700.db2.gz HOQOXSHCYHBEGJ-HKBOAZHASA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000339009335 1032730711 /nfs/dbraw/zinc/73/07/11/1032730711.db2.gz HOQOXSHCYHBEGJ-HKBOAZHASA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000339009335 1032730726 /nfs/dbraw/zinc/73/07/26/1032730726.db2.gz HOQOXSHCYHBEGJ-HKBOAZHASA-N 2 1 323.484 3.667 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166958 1019077354 /nfs/dbraw/zinc/07/73/54/1019077354.db2.gz ZIBNZFPCHKLELT-HLLBOEOZSA-N 2 1 322.880 3.951 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166958 1019077360 /nfs/dbraw/zinc/07/73/60/1019077360.db2.gz ZIBNZFPCHKLELT-HLLBOEOZSA-N 2 1 322.880 3.951 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393457 1019469077 /nfs/dbraw/zinc/46/90/77/1019469077.db2.gz UJZWIJXZMIHYTM-LJQANCHMSA-N 2 1 308.429 3.511 20 30 DHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)o1 ZINC000283010980 1020378888 /nfs/dbraw/zinc/37/88/88/1020378888.db2.gz OTKUTMHSHYMHMH-LJQANCHMSA-N 2 1 323.440 3.542 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000829180796 1020845133 /nfs/dbraw/zinc/84/51/33/1020845133.db2.gz YBYMHIXUWJUKJY-YQVWRLOYSA-N 2 1 313.489 3.815 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000829180796 1020845141 /nfs/dbraw/zinc/84/51/41/1020845141.db2.gz YBYMHIXUWJUKJY-YQVWRLOYSA-N 2 1 313.489 3.815 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850433029 1021528231 /nfs/dbraw/zinc/52/82/31/1021528231.db2.gz ICILBJCUHIMIRJ-INIZCTEOSA-N 2 1 314.473 3.703 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000152998826 1021915903 /nfs/dbraw/zinc/91/59/03/1021915903.db2.gz FEHXDXABWBZAEM-CQSZACIVSA-N 2 1 304.503 3.928 20 30 DHEDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308693 1033079996 /nfs/dbraw/zinc/07/99/96/1033079996.db2.gz ZBRICZHKZYXIKO-QGZVFWFLSA-N 2 1 313.489 3.541 20 30 DHEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510693 1033091042 /nfs/dbraw/zinc/09/10/42/1033091042.db2.gz DKDARDXSGSEJTH-HZPDHXFCSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510693 1033091054 /nfs/dbraw/zinc/09/10/54/1033091054.db2.gz DKDARDXSGSEJTH-HZPDHXFCSA-N 2 1 317.452 3.716 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000695866005 1023037812 /nfs/dbraw/zinc/03/78/12/1023037812.db2.gz WZVMXZRRXOGLQB-IEBWSBKVSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181436805 1023093205 /nfs/dbraw/zinc/09/32/05/1023093205.db2.gz FDQQBYBZGLBOMQ-QGZVFWFLSA-N 2 1 319.452 3.657 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000181436805 1023093218 /nfs/dbraw/zinc/09/32/18/1023093218.db2.gz FDQQBYBZGLBOMQ-QGZVFWFLSA-N 2 1 319.452 3.657 20 30 DHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172299211 1033104698 /nfs/dbraw/zinc/10/46/98/1033104698.db2.gz KFJBDZUVTXVFLV-ZWKOTPCHSA-N 2 1 321.468 3.586 20 30 DHEDMP C[C@H](CCCC#N)[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486493 1033198086 /nfs/dbraw/zinc/19/80/86/1033198086.db2.gz FMYYDZNQJYRIND-KBAYOESNSA-N 2 1 317.452 3.980 20 30 DHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)c(C)c1 ZINC000349005836 1024660446 /nfs/dbraw/zinc/66/04/46/1024660446.db2.gz LOIZYDCOMXZWJH-UHFFFAOYSA-N 2 1 321.468 3.950 20 30 DHEDMP N#CCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CC1 ZINC000411305421 1025936645 /nfs/dbraw/zinc/93/66/45/1025936645.db2.gz JPUOERMRJSEILJ-UHFFFAOYSA-N 2 1 311.473 3.798 20 30 DHEDMP N#CCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CC1 ZINC000411305421 1025936663 /nfs/dbraw/zinc/93/66/63/1025936663.db2.gz JPUOERMRJSEILJ-UHFFFAOYSA-N 2 1 311.473 3.798 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000809611281 1026563786 /nfs/dbraw/zinc/56/37/86/1026563786.db2.gz YFFHOCINHMOAJD-IBGZPJMESA-N 2 1 324.493 3.731 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000809611281 1026563791 /nfs/dbraw/zinc/56/37/91/1026563791.db2.gz YFFHOCINHMOAJD-IBGZPJMESA-N 2 1 324.493 3.731 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809635245 1026578991 /nfs/dbraw/zinc/57/89/91/1026578991.db2.gz VCXDQTNZSSIPCI-AVRDEDQJSA-N 2 1 318.464 3.668 20 30 DHEDMP N#C[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC000933548107 1027756184 /nfs/dbraw/zinc/75/61/84/1027756184.db2.gz QZILXXBLUXNGMU-ICSRJNTNSA-N 2 1 323.484 3.766 20 30 DHEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC000933548106 1027757788 /nfs/dbraw/zinc/75/77/88/1027757788.db2.gz QZILXXBLUXNGMU-AZUAARDMSA-N 2 1 323.484 3.766 20 30 DHEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000365598210 1027976830 /nfs/dbraw/zinc/97/68/30/1027976830.db2.gz KQAATSIBIZYPBE-AEFFLSMTSA-N 2 1 303.494 3.655 20 30 DHEDMP CC(C)(C#N)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365598210 1027976846 /nfs/dbraw/zinc/97/68/46/1027976846.db2.gz KQAATSIBIZYPBE-AEFFLSMTSA-N 2 1 303.494 3.655 20 30 DHEDMP C[N@@H+](CCCC(C)(C)C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367898803 1028257031 /nfs/dbraw/zinc/25/70/31/1028257031.db2.gz AZUWMAPDUHPZPU-UHFFFAOYSA-N 2 1 314.477 3.560 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000368515356 1028364694 /nfs/dbraw/zinc/36/46/94/1028364694.db2.gz USVAVHKIBAKEOK-FXAWDEMLSA-N 2 1 313.489 3.738 20 30 DHEDMP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000368649699 1028388686 /nfs/dbraw/zinc/38/86/86/1028388686.db2.gz HYOFVDQLPHHATE-AFYVEPGGSA-N 2 1 311.473 3.569 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000815652571 1028594127 /nfs/dbraw/zinc/59/41/27/1028594127.db2.gz IIIMUICIYWYJJY-QGZVFWFLSA-N 2 1 324.390 3.701 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000815652571 1028594138 /nfs/dbraw/zinc/59/41/38/1028594138.db2.gz IIIMUICIYWYJJY-QGZVFWFLSA-N 2 1 324.390 3.701 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000815652201 1028595242 /nfs/dbraw/zinc/59/52/42/1028595242.db2.gz UFCICQVLYYSRRF-HNNXBMFYSA-N 2 1 322.880 3.733 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000815652201 1028595253 /nfs/dbraw/zinc/59/52/53/1028595253.db2.gz UFCICQVLYYSRRF-HNNXBMFYSA-N 2 1 322.880 3.733 20 30 DHEDMP CC(C)(C#N)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390847973 1029722104 /nfs/dbraw/zinc/72/21/04/1029722104.db2.gz HXWGVEJXJRNNJS-GOSISDBHSA-N 2 1 313.489 3.817 20 30 DHEDMP CC(C)(C#N)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390847973 1029722108 /nfs/dbraw/zinc/72/21/08/1029722108.db2.gz HXWGVEJXJRNNJS-GOSISDBHSA-N 2 1 313.489 3.817 20 30 DHEDMP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402811 1030708625 /nfs/dbraw/zinc/70/86/25/1030708625.db2.gz YORLYQBVZDDNBH-SJORKVTESA-N 2 1 314.514 3.632 20 30 DHEDMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174272178 1033919549 /nfs/dbraw/zinc/91/95/49/1033919549.db2.gz XLIMGCMFMHGYEM-INIZCTEOSA-N 2 1 323.440 3.815 20 30 DHEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174272178 1033919563 /nfs/dbraw/zinc/91/95/63/1033919563.db2.gz XLIMGCMFMHGYEM-INIZCTEOSA-N 2 1 323.440 3.815 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1Cl ZINC000554888790 1034393983 /nfs/dbraw/zinc/39/39/83/1034393983.db2.gz SSLBFHMWAKNDIN-YOEHRIQHSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000554888790 1034393989 /nfs/dbraw/zinc/39/39/89/1034393989.db2.gz SSLBFHMWAKNDIN-YOEHRIQHSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000554888790 1034393996 /nfs/dbraw/zinc/39/39/96/1034393996.db2.gz SSLBFHMWAKNDIN-YOEHRIQHSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000554888790 1034394004 /nfs/dbraw/zinc/39/40/04/1034394004.db2.gz SSLBFHMWAKNDIN-YOEHRIQHSA-N 2 1 322.880 3.677 20 30 DHEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCc2ccccc21 ZINC001198104915 1036955176 /nfs/dbraw/zinc/95/51/76/1036955176.db2.gz VLZOUVPQRKTORJ-OAQYLSRUSA-N 2 1 321.468 3.985 20 30 DHEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCc2ccccc21 ZINC001198104915 1036955190 /nfs/dbraw/zinc/95/51/90/1036955190.db2.gz VLZOUVPQRKTORJ-OAQYLSRUSA-N 2 1 321.468 3.985 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000152961483 1037667046 /nfs/dbraw/zinc/66/70/46/1037667046.db2.gz DJAJPYODRNELLO-KRWDZBQOSA-N 2 1 315.505 3.834 20 30 DHEDMP C=CCCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000594960204 1039965056 /nfs/dbraw/zinc/96/50/56/1039965056.db2.gz NAMPHCPRJIDNJF-MJGOQNOKSA-N 2 1 318.530 3.938 20 30 DHEDMP C=CCCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000594960204 1039965070 /nfs/dbraw/zinc/96/50/70/1039965070.db2.gz NAMPHCPRJIDNJF-MJGOQNOKSA-N 2 1 318.530 3.938 20 30 DHEDMP C=CCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000594960202 1039966334 /nfs/dbraw/zinc/96/63/34/1039966334.db2.gz NAMPHCPRJIDNJF-IEBWSBKVSA-N 2 1 318.530 3.938 20 30 DHEDMP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000594960202 1039966352 /nfs/dbraw/zinc/96/63/52/1039966352.db2.gz NAMPHCPRJIDNJF-IEBWSBKVSA-N 2 1 318.530 3.938 20 30 DHEDMP C=CCCSCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595060184 1040024917 /nfs/dbraw/zinc/02/49/17/1040024917.db2.gz UDGVHCCCJRAYSB-MJGOQNOKSA-N 2 1 318.530 3.796 20 30 DHEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000575013994 1040124387 /nfs/dbraw/zinc/12/43/87/1040124387.db2.gz RGWPQILYIUADND-FQEVSTJZSA-N 2 1 324.472 3.596 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012023 1040624923 /nfs/dbraw/zinc/62/49/23/1040624923.db2.gz KNUKPDLCEHCTMI-APWZRJJASA-N 2 1 311.473 3.546 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012023 1040624929 /nfs/dbraw/zinc/62/49/29/1040624929.db2.gz KNUKPDLCEHCTMI-APWZRJJASA-N 2 1 311.473 3.546 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012023 1040624934 /nfs/dbraw/zinc/62/49/34/1040624934.db2.gz KNUKPDLCEHCTMI-APWZRJJASA-N 2 1 311.473 3.546 20 30 DHEDMP N#CC1(c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)CC1 ZINC000597013027 1040625460 /nfs/dbraw/zinc/62/54/60/1040625460.db2.gz ACYRKSBXRNNRFB-IBGZPJMESA-N 2 1 323.484 3.550 20 30 DHEDMP N#CC1(c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)CC1 ZINC000597013027 1040625462 /nfs/dbraw/zinc/62/54/62/1040625462.db2.gz ACYRKSBXRNNRFB-IBGZPJMESA-N 2 1 323.484 3.550 20 30 DHEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000597172526 1040667173 /nfs/dbraw/zinc/66/71/73/1040667173.db2.gz CALRKUZMBDXUGD-IBGZPJMESA-N 2 1 313.489 3.770 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000597172526 1040667181 /nfs/dbraw/zinc/66/71/81/1040667181.db2.gz CALRKUZMBDXUGD-IBGZPJMESA-N 2 1 313.489 3.770 20 30 DHEDMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597172526 1040667187 /nfs/dbraw/zinc/66/71/87/1040667187.db2.gz CALRKUZMBDXUGD-IBGZPJMESA-N 2 1 313.489 3.770 20 30 DHEDMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597172526 1040667191 /nfs/dbraw/zinc/66/71/91/1040667191.db2.gz CALRKUZMBDXUGD-IBGZPJMESA-N 2 1 313.489 3.770 20 30 DHEDMP N#CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000602548444 1041085517 /nfs/dbraw/zinc/08/55/17/1041085517.db2.gz XDOKNLIBSXBSGF-BKDYDCAMSA-N 2 1 323.484 3.854 20 30 DHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602564222 1041100116 /nfs/dbraw/zinc/10/01/16/1041100116.db2.gz RBLXYPKKMBMESS-KTLDDFEXSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602564222 1041100128 /nfs/dbraw/zinc/10/01/28/1041100128.db2.gz RBLXYPKKMBMESS-KTLDDFEXSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000602665891 1041150252 /nfs/dbraw/zinc/15/02/52/1041150252.db2.gz DLLBEEAFDRREDA-ICSRJNTNSA-N 2 1 313.489 3.818 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC3(CC#N)CC3)C2)s1 ZINC000602828822 1041249561 /nfs/dbraw/zinc/24/95/61/1041249561.db2.gz UZIYVBRJNNQPEL-INIZCTEOSA-N 2 1 317.502 3.504 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828822 1041249575 /nfs/dbraw/zinc/24/95/75/1041249575.db2.gz UZIYVBRJNNQPEL-INIZCTEOSA-N 2 1 317.502 3.504 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828822 1041249590 /nfs/dbraw/zinc/24/95/90/1041249590.db2.gz UZIYVBRJNNQPEL-INIZCTEOSA-N 2 1 317.502 3.504 20 30 DHEDMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 ZINC000518532810 332074907 /nfs/dbraw/zinc/07/49/07/332074907.db2.gz DCSCVCTWPNNHOA-LEWJYISDSA-N 2 1 319.452 3.678 20 30 DHEDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 ZINC000518532810 332074909 /nfs/dbraw/zinc/07/49/09/332074909.db2.gz DCSCVCTWPNNHOA-LEWJYISDSA-N 2 1 319.452 3.678 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000152970269 332332420 /nfs/dbraw/zinc/33/24/20/332332420.db2.gz USMHDFNWUIQDCV-QGZVFWFLSA-N 2 1 316.489 3.646 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(OC)cc2)CC1 ZINC000152986401 332334044 /nfs/dbraw/zinc/33/40/44/332334044.db2.gz QPSXPEVOJHNQRR-LJQANCHMSA-N 2 1 302.462 3.776 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000153010406 332338989 /nfs/dbraw/zinc/33/89/89/332338989.db2.gz NOBCHJXJSIKDGN-SJORKVTESA-N 2 1 316.489 3.817 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000153030785 332339044 /nfs/dbraw/zinc/33/90/44/332339044.db2.gz VUHACLKGBPHRSR-HXUWFJFHSA-N 2 1 314.473 3.703 20 30 DHEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000290309027 334172234 /nfs/dbraw/zinc/17/22/34/334172234.db2.gz ZOVJNAGSGLRZQO-QHGAOEGBSA-N 2 1 313.489 3.709 20 30 DHEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000290309027 334172235 /nfs/dbraw/zinc/17/22/35/334172235.db2.gz ZOVJNAGSGLRZQO-QHGAOEGBSA-N 2 1 313.489 3.709 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360838538 336723895 /nfs/dbraw/zinc/72/38/95/336723895.db2.gz CWWYKKGIFTWONO-NRFANRHFSA-N 2 1 323.484 3.956 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174276940 337140169 /nfs/dbraw/zinc/14/01/69/337140169.db2.gz WPEAPHPRFQJYQT-UHFFFAOYSA-N 2 1 313.489 3.879 20 30 DHEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000583235176 337281972 /nfs/dbraw/zinc/28/19/72/337281972.db2.gz ZOVJNAGSGLRZQO-KKXNLOMOSA-N 2 1 313.489 3.709 20 30 DHEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000583235176 337281973 /nfs/dbraw/zinc/28/19/73/337281973.db2.gz ZOVJNAGSGLRZQO-KKXNLOMOSA-N 2 1 313.489 3.709 20 30 DHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000116367465 337392638 /nfs/dbraw/zinc/39/26/38/337392638.db2.gz YEGWYXCLUWPSLU-QGZVFWFLSA-N 2 1 319.452 3.873 20 30 DHEDMP C=CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000472751689 339376855 /nfs/dbraw/zinc/37/68/55/339376855.db2.gz NVOIXPRVUSGFCU-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000472751689 339376856 /nfs/dbraw/zinc/37/68/56/339376856.db2.gz NVOIXPRVUSGFCU-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000472751689 339376857 /nfs/dbraw/zinc/37/68/57/339376857.db2.gz NVOIXPRVUSGFCU-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000472751689 339376858 /nfs/dbraw/zinc/37/68/58/339376858.db2.gz NVOIXPRVUSGFCU-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000506326338 340192318 /nfs/dbraw/zinc/19/23/18/340192318.db2.gz LMRFQGSGAQXLFD-UHFFFAOYSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000506326338 340192319 /nfs/dbraw/zinc/19/23/19/340192319.db2.gz LMRFQGSGAQXLFD-UHFFFAOYSA-N 2 1 302.462 3.556 20 30 DHEDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1F ZINC000512621429 340369586 /nfs/dbraw/zinc/36/95/86/340369586.db2.gz XWMJWMMCNGFDJT-GFCCVEGCSA-N 2 1 303.425 3.657 20 30 DHEDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000338006307 527421899 /nfs/dbraw/zinc/42/18/99/527421899.db2.gz AHTRMZJYULMLQG-IBGZPJMESA-N 2 1 308.429 3.511 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCC)cc2)CC1 ZINC000106246347 1032074390 /nfs/dbraw/zinc/07/43/90/1032074390.db2.gz PIVZOMVYAFXVRM-UHFFFAOYSA-N 2 1 302.462 3.606 20 30 DHEDMP N#CCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159120863 1016874025 /nfs/dbraw/zinc/87/40/25/1016874025.db2.gz SPLUVZJGMHXQFY-UXHICEINSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159120863 1016874031 /nfs/dbraw/zinc/87/40/31/1016874031.db2.gz SPLUVZJGMHXQFY-UXHICEINSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159120863 1016874046 /nfs/dbraw/zinc/87/40/46/1016874046.db2.gz SPLUVZJGMHXQFY-UXHICEINSA-N 2 1 311.473 3.667 20 30 DHEDMP C#C[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065509 1017232023 /nfs/dbraw/zinc/23/20/23/1017232023.db2.gz XBRHIXMSESPCCW-GBESFXJTSA-N 2 1 310.485 3.773 20 30 DHEDMP C#C[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065509 1017232031 /nfs/dbraw/zinc/23/20/31/1017232031.db2.gz XBRHIXMSESPCCW-GBESFXJTSA-N 2 1 310.485 3.773 20 30 DHEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000339009338 1032731336 /nfs/dbraw/zinc/73/13/36/1032731336.db2.gz HOQOXSHCYHBEGJ-QHAWAJNXSA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000339009338 1032731353 /nfs/dbraw/zinc/73/13/53/1032731353.db2.gz HOQOXSHCYHBEGJ-QHAWAJNXSA-N 2 1 323.484 3.667 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000339009338 1032731370 /nfs/dbraw/zinc/73/13/70/1032731370.db2.gz HOQOXSHCYHBEGJ-QHAWAJNXSA-N 2 1 323.484 3.667 20 30 DHEDMP C[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405067519 1018726841 /nfs/dbraw/zinc/72/68/41/1018726841.db2.gz BPTRPBDNEWESJB-PKOBYXMFSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405067519 1018726850 /nfs/dbraw/zinc/72/68/50/1018726850.db2.gz BPTRPBDNEWESJB-PKOBYXMFSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708537141 1018842794 /nfs/dbraw/zinc/84/27/94/1018842794.db2.gz IQOCCTRRLIQDCZ-YQVWRLOYSA-N 2 1 313.489 3.672 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390341 1019473454 /nfs/dbraw/zinc/47/34/54/1019473454.db2.gz UCOCKBLTLKZDTG-OXQOHEQNSA-N 2 1 311.473 3.790 20 30 DHEDMP C=CCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000658099284 1020144423 /nfs/dbraw/zinc/14/44/23/1020144423.db2.gz WDWHQWLXBCYGKJ-LJQANCHMSA-N 2 1 320.521 3.746 20 30 DHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000390899034 1020234285 /nfs/dbraw/zinc/23/42/85/1020234285.db2.gz PDVJIFYFDCLTIT-SFHVURJKSA-N 2 1 311.473 3.571 20 30 DHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000390899034 1020234290 /nfs/dbraw/zinc/23/42/90/1020234290.db2.gz PDVJIFYFDCLTIT-SFHVURJKSA-N 2 1 311.473 3.571 20 30 DHEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348025651 1020480232 /nfs/dbraw/zinc/48/02/32/1020480232.db2.gz COICNKVBNKAGJD-UYAOXDASSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348025651 1020480237 /nfs/dbraw/zinc/48/02/37/1020480237.db2.gz COICNKVBNKAGJD-UYAOXDASSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000348025651 1020480242 /nfs/dbraw/zinc/48/02/42/1020480242.db2.gz COICNKVBNKAGJD-UYAOXDASSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000348025651 1020480247 /nfs/dbraw/zinc/48/02/47/1020480247.db2.gz COICNKVBNKAGJD-UYAOXDASSA-N 2 1 316.489 3.564 20 30 DHEDMP C#CC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171986185 1032972495 /nfs/dbraw/zinc/97/24/95/1032972495.db2.gz GGUFLGRWQQRRIW-HXUWFJFHSA-N 2 1 310.485 3.775 20 30 DHEDMP C#CC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171986185 1032972507 /nfs/dbraw/zinc/97/25/07/1032972507.db2.gz GGUFLGRWQQRRIW-HXUWFJFHSA-N 2 1 310.485 3.775 20 30 DHEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563625 1021628155 /nfs/dbraw/zinc/62/81/55/1021628155.db2.gz HOTXZBTXBACOKN-LJQANCHMSA-N 2 1 314.473 3.702 20 30 DHEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563625 1021628160 /nfs/dbraw/zinc/62/81/60/1021628160.db2.gz HOTXZBTXBACOKN-LJQANCHMSA-N 2 1 314.473 3.702 20 30 DHEDMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)[nH+]c1 ZINC000181804811 1023735903 /nfs/dbraw/zinc/73/59/03/1023735903.db2.gz VAJCWONTHSSTIM-INIZCTEOSA-N 2 1 320.440 3.581 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001172486900 1033198464 /nfs/dbraw/zinc/19/84/64/1033198464.db2.gz IJGOTSZFGKWIJW-IEBWSBKVSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001172486900 1033198471 /nfs/dbraw/zinc/19/84/71/1033198471.db2.gz IJGOTSZFGKWIJW-IEBWSBKVSA-N 2 1 313.489 3.959 20 30 DHEDMP CCCCCCCC[C@@H](CC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001172503145 1033231615 /nfs/dbraw/zinc/23/16/15/1033231615.db2.gz PCFDBTNCOIPAOE-RTBURBONSA-N 2 1 309.542 3.528 20 30 DHEDMP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000572428643 1025324994 /nfs/dbraw/zinc/32/49/94/1025324994.db2.gz GSDBKFWJSCUBIB-SFTDATJTSA-N 2 1 319.452 3.526 20 30 DHEDMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000572428643 1025325005 /nfs/dbraw/zinc/32/50/05/1025325005.db2.gz GSDBKFWJSCUBIB-SFTDATJTSA-N 2 1 319.452 3.526 20 30 DHEDMP C[C@H](CCC#N)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306084 1025935442 /nfs/dbraw/zinc/93/54/42/1025935442.db2.gz LACIKBABWYSJFJ-UYAOXDASSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306084 1025935451 /nfs/dbraw/zinc/93/54/51/1025935451.db2.gz LACIKBABWYSJFJ-UYAOXDASSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306084 1025935463 /nfs/dbraw/zinc/93/54/63/1025935463.db2.gz LACIKBABWYSJFJ-UYAOXDASSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193686 1026705883 /nfs/dbraw/zinc/70/58/83/1026705883.db2.gz PFYIDFYOESMIAI-FRQCXROJSA-N 2 1 311.473 3.862 20 30 DHEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000931466431 1027133502 /nfs/dbraw/zinc/13/35/02/1027133502.db2.gz VTRZJYQUUHKTGJ-UHFFFAOYSA-N 2 1 311.473 3.625 20 30 DHEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363460734 1027643826 /nfs/dbraw/zinc/64/38/26/1027643826.db2.gz DGAXPGLQUDIGFV-JKSUJKDBSA-N 2 1 320.864 3.621 20 30 DHEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363460734 1027643827 /nfs/dbraw/zinc/64/38/27/1027643827.db2.gz DGAXPGLQUDIGFV-JKSUJKDBSA-N 2 1 320.864 3.621 20 30 DHEDMP N#CCCCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547172 1027756999 /nfs/dbraw/zinc/75/69/99/1027756999.db2.gz LRWWKKUNFAZVCJ-UHFFFAOYSA-N 2 1 311.473 3.767 20 30 DHEDMP Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000368649425 1028389063 /nfs/dbraw/zinc/38/90/63/1028389063.db2.gz DXMWESSDRYKWQN-PXNSSMCTSA-N 2 1 311.473 3.631 20 30 DHEDMP CC(C)(C#N)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369001395 1028434444 /nfs/dbraw/zinc/43/44/44/1028434444.db2.gz LPCLBRPMSIKEHQ-GOSISDBHSA-N 2 1 305.510 3.904 20 30 DHEDMP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449236519 1028456409 /nfs/dbraw/zinc/45/64/09/1028456409.db2.gz YEVYGAPWQCXIPY-INECWFNRSA-N 2 1 303.494 3.701 20 30 DHEDMP C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110055 1028559015 /nfs/dbraw/zinc/55/90/15/1028559015.db2.gz WXGIKKBVDQORMY-OAQYLSRUSA-N 2 1 319.452 3.512 20 30 DHEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110055 1028559027 /nfs/dbraw/zinc/55/90/27/1028559027.db2.gz WXGIKKBVDQORMY-OAQYLSRUSA-N 2 1 319.452 3.512 20 30 DHEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110055 1028559037 /nfs/dbraw/zinc/55/90/37/1028559037.db2.gz WXGIKKBVDQORMY-OAQYLSRUSA-N 2 1 319.452 3.512 20 30 DHEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110055 1028559050 /nfs/dbraw/zinc/55/90/50/1028559050.db2.gz WXGIKKBVDQORMY-OAQYLSRUSA-N 2 1 319.452 3.512 20 30 DHEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CCCC(C)(C)C#N)CC2)C1CC1 ZINC000374309440 1029286708 /nfs/dbraw/zinc/28/67/08/1029286708.db2.gz JFJZNLHGLOALLR-MRXNPFEDSA-N 2 1 303.494 3.513 20 30 DHEDMP C=CCCC[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536995496 1031482795 /nfs/dbraw/zinc/48/27/95/1031482795.db2.gz NUSJBBYEABJPOV-OKZBNKHCSA-N 2 1 308.510 3.552 20 30 DHEDMP C[N@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@H]2[C@H]1c1ccccc1 ZINC000360790283 1031563242 /nfs/dbraw/zinc/56/32/42/1031563242.db2.gz DJWHGYRADHKFPC-GUDVDZBRSA-N 2 1 311.473 3.551 20 30 DHEDMP C[NH+]1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@H]2[C@H]1c1ccccc1 ZINC000360790283 1031563256 /nfs/dbraw/zinc/56/32/56/1031563256.db2.gz DJWHGYRADHKFPC-GUDVDZBRSA-N 2 1 311.473 3.551 20 30 DHEDMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@H]2[C@H]1c1ccccc1 ZINC000360790283 1031563274 /nfs/dbraw/zinc/56/32/74/1031563274.db2.gz DJWHGYRADHKFPC-GUDVDZBRSA-N 2 1 311.473 3.551 20 30 DHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000360872099 1031596852 /nfs/dbraw/zinc/59/68/52/1031596852.db2.gz LVHGTTPEGUZZFQ-GRERDSQWSA-N 2 1 323.484 3.932 20 30 DHEDMP N#CC1(CCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000930060780 1031687878 /nfs/dbraw/zinc/68/78/78/1031687878.db2.gz LQJIPGVZZRCYHJ-PKOBYXMFSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CC1(CCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000930060780 1031687886 /nfs/dbraw/zinc/68/78/86/1031687886.db2.gz LQJIPGVZZRCYHJ-PKOBYXMFSA-N 2 1 315.505 3.799 20 30 DHEDMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232406 1032019396 /nfs/dbraw/zinc/01/93/96/1032019396.db2.gz RIZGTLLEDVZYGD-KRWDZBQOSA-N 2 1 313.489 3.686 20 30 DHEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)c1 ZINC000104178400 1033652514 /nfs/dbraw/zinc/65/25/14/1033652514.db2.gz AABYDQWJQSVVJM-UHFFFAOYSA-N 2 1 324.472 3.682 20 30 DHEDMP CCCCCCCC[C@@H](CCC)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001173310187 1033662166 /nfs/dbraw/zinc/66/21/66/1033662166.db2.gz RJPIFHUMJSACAL-IAGOWNOFSA-N 2 1 314.514 3.776 20 30 DHEDMP C=CCOC1CCC([NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001173326947 1033688718 /nfs/dbraw/zinc/68/87/18/1033688718.db2.gz WVLFULQZBWXLNP-NUVZVAJJSA-N 2 1 320.521 3.839 20 30 DHEDMP C=CCOC1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001173326947 1033688724 /nfs/dbraw/zinc/68/87/24/1033688724.db2.gz WVLFULQZBWXLNP-NUVZVAJJSA-N 2 1 320.521 3.839 20 30 DHEDMP C=CCOC1CCC([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001173326947 1033688731 /nfs/dbraw/zinc/68/87/31/1033688731.db2.gz WVLFULQZBWXLNP-NUVZVAJJSA-N 2 1 320.521 3.839 20 30 DHEDMP N#CCC1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173335764 1033691676 /nfs/dbraw/zinc/69/16/76/1033691676.db2.gz XPHVDUFFOMOWHG-JLAWEPINSA-N 2 1 303.494 3.799 20 30 DHEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001173316971 1033710994 /nfs/dbraw/zinc/71/09/94/1033710994.db2.gz QAVVCJHCVQZJCO-GPJFCIFZSA-N 2 1 320.521 3.744 20 30 DHEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001173316971 1033711007 /nfs/dbraw/zinc/71/10/07/1033711007.db2.gz QAVVCJHCVQZJCO-GPJFCIFZSA-N 2 1 320.521 3.744 20 30 DHEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183194743 1034359822 /nfs/dbraw/zinc/35/98/22/1034359822.db2.gz MJHMJZXQVUUCMM-FRQCXROJSA-N 2 1 311.473 3.862 20 30 DHEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000540314749 1036036077 /nfs/dbraw/zinc/03/60/77/1036036077.db2.gz WSFMMBJNWKWTJN-HRAATJIYSA-N 2 1 319.452 3.655 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](C)C2CC[NH+](CCC)CC2)c1 ZINC000123819564 1037868727 /nfs/dbraw/zinc/86/87/27/1037868727.db2.gz GLQOWTZEMOJZDK-UHFFFAOYSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)C2CC[NH+](CCC)CC2)c1 ZINC000123819564 1037868742 /nfs/dbraw/zinc/86/87/42/1037868742.db2.gz GLQOWTZEMOJZDK-UHFFFAOYSA-N 2 1 302.462 3.558 20 30 DHEDMP CCCCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201875260 1037923847 /nfs/dbraw/zinc/92/38/47/1037923847.db2.gz SPLOFCVHCUOWDS-UXHICEINSA-N 2 1 323.569 3.837 20 30 DHEDMP CC(C)[N@H+](C)CC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000571981685 1038284910 /nfs/dbraw/zinc/28/49/10/1038284910.db2.gz HVYGXWXRBGDCNV-UHFFFAOYSA-N 2 1 318.892 3.744 20 30 DHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000571981685 1038284917 /nfs/dbraw/zinc/28/49/17/1038284917.db2.gz HVYGXWXRBGDCNV-UHFFFAOYSA-N 2 1 318.892 3.744 20 30 DHEDMP C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000591026559 1038749356 /nfs/dbraw/zinc/74/93/56/1038749356.db2.gz UVIMUEUIPFHSCT-FQEVSTJZSA-N 2 1 311.473 3.798 20 30 DHEDMP C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000591026559 1038749361 /nfs/dbraw/zinc/74/93/61/1038749361.db2.gz UVIMUEUIPFHSCT-FQEVSTJZSA-N 2 1 311.473 3.798 20 30 DHEDMP CC[N@@H+](CCCNCc1cc(C#N)cs1)C1CCCCC1 ZINC000593660667 1038980266 /nfs/dbraw/zinc/98/02/66/1038980266.db2.gz NPCWQYGJSVORAR-UHFFFAOYSA-N 2 1 305.491 3.754 20 30 DHEDMP CC[N@H+](CCC[NH2+]Cc1cc(C#N)cs1)C1CCCCC1 ZINC000593660667 1038980272 /nfs/dbraw/zinc/98/02/72/1038980272.db2.gz NPCWQYGJSVORAR-UHFFFAOYSA-N 2 1 305.491 3.754 20 30 DHEDMP CC[N@@H+](CCC[NH2+]Cc1cc(C#N)cs1)C1CCCCC1 ZINC000593660667 1038980277 /nfs/dbraw/zinc/98/02/77/1038980277.db2.gz NPCWQYGJSVORAR-UHFFFAOYSA-N 2 1 305.491 3.754 20 30 DHEDMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404022 1039448957 /nfs/dbraw/zinc/44/89/57/1039448957.db2.gz UTMZGFAFOLPTNI-HBGVWJBISA-N 2 1 319.452 3.554 20 30 DHEDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594605527 1039869961 /nfs/dbraw/zinc/86/99/61/1039869961.db2.gz CAWOIXFFAVTZPN-UHFFFAOYSA-N 2 1 311.473 3.548 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918355 1039926881 /nfs/dbraw/zinc/92/68/81/1039926881.db2.gz NZRCQUFOQMKMGS-QGZVFWFLSA-N 2 1 311.473 3.596 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595292890 1040092131 /nfs/dbraw/zinc/09/21/31/1040092131.db2.gz DIDUEXTXJBOHMG-UHFFFAOYSA-N 2 1 313.489 3.545 20 30 DHEDMP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000575174891 1040193867 /nfs/dbraw/zinc/19/38/67/1040193867.db2.gz XWTYIIOFYLSCQR-HXUWFJFHSA-N 2 1 324.472 3.596 20 30 DHEDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015438 1040625233 /nfs/dbraw/zinc/62/52/33/1040625233.db2.gz ZXXAKJQSXVIGLQ-IBGZPJMESA-N 2 1 311.473 3.548 20 30 DHEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015438 1040625241 /nfs/dbraw/zinc/62/52/41/1040625241.db2.gz ZXXAKJQSXVIGLQ-IBGZPJMESA-N 2 1 311.473 3.548 20 30 DHEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015438 1040625250 /nfs/dbraw/zinc/62/52/50/1040625250.db2.gz ZXXAKJQSXVIGLQ-IBGZPJMESA-N 2 1 311.473 3.548 20 30 DHEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015438 1040625256 /nfs/dbraw/zinc/62/52/56/1040625256.db2.gz ZXXAKJQSXVIGLQ-IBGZPJMESA-N 2 1 311.473 3.548 20 30 DHEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015438 1040625265 /nfs/dbraw/zinc/62/52/65/1040625265.db2.gz ZXXAKJQSXVIGLQ-IBGZPJMESA-N 2 1 311.473 3.548 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000602515549 1041065264 /nfs/dbraw/zinc/06/52/64/1041065264.db2.gz PIYZUKLSEVTLKG-ZWKOTPCHSA-N 2 1 313.489 3.948 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602692126 1041154312 /nfs/dbraw/zinc/15/43/12/1041154312.db2.gz UJMCYGGMYVRIKX-IEBWSBKVSA-N 2 1 311.473 3.884 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602692126 1041154318 /nfs/dbraw/zinc/15/43/18/1041154318.db2.gz UJMCYGGMYVRIKX-IEBWSBKVSA-N 2 1 311.473 3.884 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602695533 1041156988 /nfs/dbraw/zinc/15/69/88/1041156988.db2.gz UZRYHTBWPUXLGV-QEEHTWDDSA-N 2 1 309.457 3.636 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602695533 1041156994 /nfs/dbraw/zinc/15/69/94/1041156994.db2.gz UZRYHTBWPUXLGV-QEEHTWDDSA-N 2 1 309.457 3.636 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602695531 1041157265 /nfs/dbraw/zinc/15/72/65/1041157265.db2.gz UZRYHTBWPUXLGV-MJKGWSOKSA-N 2 1 309.457 3.636 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602695531 1041157270 /nfs/dbraw/zinc/15/72/70/1041157270.db2.gz UZRYHTBWPUXLGV-MJKGWSOKSA-N 2 1 309.457 3.636 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000152983673 332332400 /nfs/dbraw/zinc/33/24/00/332332400.db2.gz FSGSOQPRGNOOEM-OAHLLOKOSA-N 2 1 317.433 3.594 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000185850847 333215019 /nfs/dbraw/zinc/21/50/19/333215019.db2.gz WITMSFHWGMOWOB-GSEOLPGOSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000185850847 333215021 /nfs/dbraw/zinc/21/50/21/333215021.db2.gz WITMSFHWGMOWOB-GSEOLPGOSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H](CCC#N)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000298398205 334248168 /nfs/dbraw/zinc/24/81/68/334248168.db2.gz OOOVWLVKCLDFCX-GOSISDBHSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093002 335374238 /nfs/dbraw/zinc/37/42/38/335374238.db2.gz ZTFOATRZEUVCLE-HUUCEWRRSA-N 2 1 303.425 3.612 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093002 335374239 /nfs/dbraw/zinc/37/42/39/335374239.db2.gz ZTFOATRZEUVCLE-HUUCEWRRSA-N 2 1 303.425 3.612 20 30 DHEDMP CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000174863942 337145071 /nfs/dbraw/zinc/14/50/71/337145071.db2.gz CJFSJHOSSJYFTB-SFHVURJKSA-N 2 1 305.510 3.904 20 30 DHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185830821 337250582 /nfs/dbraw/zinc/25/05/82/337250582.db2.gz QJPWTVRMJHCIKP-UWVAXJGDSA-N 2 1 311.473 3.884 20 30 DHEDMP C=CCOCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000470771788 339327508 /nfs/dbraw/zinc/32/75/08/339327508.db2.gz HFCGELQISQAQDK-SFHVURJKSA-N 2 1 308.510 3.556 20 30 DHEDMP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403839 341376658 /nfs/dbraw/zinc/37/66/58/341376658.db2.gz PFYIDFYOESMIAI-FCEWJHQRSA-N 2 1 311.473 3.862 20 30 DHEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010176 521879704 /nfs/dbraw/zinc/87/97/04/521879704.db2.gz HFAFPBDOOBZKLU-GOSISDBHSA-N 2 1 319.452 3.609 20 30 DHEDMP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C#N)cc1 ZINC001167964460 1013216383 /nfs/dbraw/zinc/21/63/83/1013216383.db2.gz QOVHROSNNNEAPR-IHWFROFDSA-N 2 1 323.484 3.788 20 30 DHEDMP CC[NH+](CC)CC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441143828 1013673945 /nfs/dbraw/zinc/67/39/45/1013673945.db2.gz IRPRWMPWEXIRNB-UHFFFAOYSA-N 2 1 318.892 3.745 20 30 DHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000177684964 1013978577 /nfs/dbraw/zinc/97/85/77/1013978577.db2.gz RUWBYKBZCGXJMY-UHFFFAOYSA-N 2 1 313.470 3.750 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318354 1014793042 /nfs/dbraw/zinc/79/30/42/1014793042.db2.gz YNQHMYIGVHPGGK-LAUBAEHRSA-N 2 1 319.452 3.558 20 30 DHEDMP C[C@H](CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000346881596 1016612845 /nfs/dbraw/zinc/61/28/45/1016612845.db2.gz NZEYIRBAKSPSBE-HUUCEWRRSA-N 2 1 303.425 3.612 20 30 DHEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)c1 ZINC000303903075 1017458909 /nfs/dbraw/zinc/45/89/09/1017458909.db2.gz YEYVAJUSZXQUCD-UHFFFAOYSA-N 2 1 324.472 3.682 20 30 DHEDMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000765013321 1018448753 /nfs/dbraw/zinc/44/87/53/1018448753.db2.gz HBGKHXYYRPIWKM-JXFKEZNVSA-N 2 1 311.473 3.691 20 30 DHEDMP N#CC1(CCCC[NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000929286232 1019929853 /nfs/dbraw/zinc/92/98/53/1019929853.db2.gz IZKJIIUQBUMBIY-UHFFFAOYSA-N 2 1 303.494 3.801 20 30 DHEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000129209301 1021452029 /nfs/dbraw/zinc/45/20/29/1021452029.db2.gz PRJAMFFYTCPMAI-IBGZPJMESA-N 2 1 314.473 3.702 20 30 DHEDMP C=CCOc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000129209301 1021452050 /nfs/dbraw/zinc/45/20/50/1021452050.db2.gz PRJAMFFYTCPMAI-IBGZPJMESA-N 2 1 314.473 3.702 20 30 DHEDMP C#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172081185 1032981417 /nfs/dbraw/zinc/98/14/17/1032981417.db2.gz DGURFKPHFVGKIU-KOUNCHBCSA-N 2 1 322.496 3.917 20 30 DHEDMP C#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172081185 1032981422 /nfs/dbraw/zinc/98/14/22/1032981422.db2.gz DGURFKPHFVGKIU-KOUNCHBCSA-N 2 1 322.496 3.917 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129777482 1021571960 /nfs/dbraw/zinc/57/19/60/1021571960.db2.gz IAUYXXXTGGMTQE-DZGCQCFKSA-N 2 1 304.400 3.738 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000152963611 1021907913 /nfs/dbraw/zinc/90/79/13/1021907913.db2.gz CLRRCMJYRHXSDE-IBGZPJMESA-N 2 1 314.473 3.839 20 30 DHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001172113770 1033020900 /nfs/dbraw/zinc/02/09/00/1033020900.db2.gz LUJMUDUSAXUQAN-PMOLBWCYSA-N 2 1 323.484 3.559 20 30 DHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001172113770 1033020913 /nfs/dbraw/zinc/02/09/13/1033020913.db2.gz LUJMUDUSAXUQAN-PMOLBWCYSA-N 2 1 323.484 3.559 20 30 DHEDMP CC1(C)C[N@H+](CCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453019399 1024276713 /nfs/dbraw/zinc/27/67/13/1024276713.db2.gz OWDFZBAGEUUAQQ-IBGZPJMESA-N 2 1 311.473 3.523 20 30 DHEDMP CC1(C)C[N@@H+](CCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453019399 1024276721 /nfs/dbraw/zinc/27/67/21/1024276721.db2.gz OWDFZBAGEUUAQQ-IBGZPJMESA-N 2 1 311.473 3.523 20 30 DHEDMP C=CCC[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663464967 1024398227 /nfs/dbraw/zinc/39/82/27/1024398227.db2.gz HOYAHCJGASDBCT-ZWKOTPCHSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663464967 1024398242 /nfs/dbraw/zinc/39/82/42/1024398242.db2.gz HOYAHCJGASDBCT-ZWKOTPCHSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663464967 1024398259 /nfs/dbraw/zinc/39/82/59/1024398259.db2.gz HOYAHCJGASDBCT-ZWKOTPCHSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663464965 1024400059 /nfs/dbraw/zinc/40/00/59/1024400059.db2.gz HOYAHCJGASDBCT-ROUUACIJSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663464965 1024400070 /nfs/dbraw/zinc/40/00/70/1024400070.db2.gz HOYAHCJGASDBCT-ROUUACIJSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663464965 1024400079 /nfs/dbraw/zinc/40/00/79/1024400079.db2.gz HOYAHCJGASDBCT-ROUUACIJSA-N 2 1 302.462 3.999 20 30 DHEDMP C[C@H](CCCC#N)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172492606 1033227004 /nfs/dbraw/zinc/22/70/04/1033227004.db2.gz MYLIRKFTAQGEBY-NSISKUIASA-N 2 1 324.472 3.713 20 30 DHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498291 1033228948 /nfs/dbraw/zinc/22/89/48/1033228948.db2.gz LCNPGHAYNINKEI-MISYRCLQSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498291 1033228959 /nfs/dbraw/zinc/22/89/59/1033228959.db2.gz LCNPGHAYNINKEI-MISYRCLQSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498291 1033228966 /nfs/dbraw/zinc/22/89/66/1033228966.db2.gz LCNPGHAYNINKEI-MISYRCLQSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](NCC#Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205327 1024741886 /nfs/dbraw/zinc/74/18/86/1024741886.db2.gz CSMDFEPETLPJTK-SIKLNZKXSA-N 2 1 318.464 3.538 20 30 DHEDMP C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310205327 1024741889 /nfs/dbraw/zinc/74/18/89/1024741889.db2.gz CSMDFEPETLPJTK-SIKLNZKXSA-N 2 1 318.464 3.538 20 30 DHEDMP C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205327 1024741902 /nfs/dbraw/zinc/74/19/02/1024741902.db2.gz CSMDFEPETLPJTK-SIKLNZKXSA-N 2 1 318.464 3.538 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000187178527 1024964053 /nfs/dbraw/zinc/96/40/53/1024964053.db2.gz KMXIXWQMSWRACH-FQEVSTJZSA-N 2 1 300.490 3.884 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886617318 1025745225 /nfs/dbraw/zinc/74/52/25/1025745225.db2.gz KKXMKEZFBOMKFS-MQBSTWLZSA-N 2 1 323.484 3.711 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169070 1025791243 /nfs/dbraw/zinc/79/12/43/1025791243.db2.gz QNPVNOJMLYXGKG-QFBILLFUSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169070 1025791258 /nfs/dbraw/zinc/79/12/58/1025791258.db2.gz QNPVNOJMLYXGKG-QFBILLFUSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169070 1025791276 /nfs/dbraw/zinc/79/12/76/1025791276.db2.gz QNPVNOJMLYXGKG-QFBILLFUSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169068 1025793282 /nfs/dbraw/zinc/79/32/82/1025793282.db2.gz QNPVNOJMLYXGKG-APWZRJJASA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169068 1025793294 /nfs/dbraw/zinc/79/32/94/1025793294.db2.gz QNPVNOJMLYXGKG-APWZRJJASA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169068 1025793301 /nfs/dbraw/zinc/79/33/01/1025793301.db2.gz QNPVNOJMLYXGKG-APWZRJJASA-N 2 1 313.489 3.792 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000809623603 1026575374 /nfs/dbraw/zinc/57/53/74/1026575374.db2.gz YLWBCBAGLNQUOM-ICSRJNTNSA-N 2 1 324.493 3.902 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000809623603 1026575383 /nfs/dbraw/zinc/57/53/83/1026575383.db2.gz YLWBCBAGLNQUOM-ICSRJNTNSA-N 2 1 324.493 3.902 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809635246 1026578476 /nfs/dbraw/zinc/57/84/76/1026578476.db2.gz VCXDQTNZSSIPCI-GCJKJVERSA-N 2 1 318.464 3.668 20 30 DHEDMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421356942 1026971667 /nfs/dbraw/zinc/97/16/67/1026971667.db2.gz YVBMVJFHPQWURB-KSSFIOAISA-N 2 1 317.502 3.752 20 30 DHEDMP N#CCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374052398 1029193005 /nfs/dbraw/zinc/19/30/05/1029193005.db2.gz DNTRLWKOBWQHPM-HXUWFJFHSA-N 2 1 311.473 3.668 20 30 DHEDMP N#CCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374052398 1029193012 /nfs/dbraw/zinc/19/30/12/1029193012.db2.gz DNTRLWKOBWQHPM-HXUWFJFHSA-N 2 1 311.473 3.668 20 30 DHEDMP N#CCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374052398 1029193022 /nfs/dbraw/zinc/19/30/22/1029193022.db2.gz DNTRLWKOBWQHPM-HXUWFJFHSA-N 2 1 311.473 3.668 20 30 DHEDMP CCCCCCCCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246149964 1029898762 /nfs/dbraw/zinc/89/87/62/1029898762.db2.gz DEMCIEALDRHRNS-IRXDYDNUSA-N 2 1 314.514 3.776 20 30 DHEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000924660181 1030155110 /nfs/dbraw/zinc/15/51/10/1030155110.db2.gz XHRBFLOPYNGPDS-MRXNPFEDSA-N 2 1 301.478 3.945 20 30 DHEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000924827178 1030197130 /nfs/dbraw/zinc/19/71/30/1030197130.db2.gz AMLZRAQUPRZAEN-INIZCTEOSA-N 2 1 301.478 3.945 20 30 DHEDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H]1c1cccs1 ZINC000248750887 1030763494 /nfs/dbraw/zinc/76/34/94/1030763494.db2.gz BVLIUEBBWDVHHY-KONPQCLYSA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H]1c1cccs1 ZINC000248750887 1030763509 /nfs/dbraw/zinc/76/35/09/1030763509.db2.gz BVLIUEBBWDVHHY-KONPQCLYSA-N 2 1 317.502 3.803 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929644971 1031566963 /nfs/dbraw/zinc/56/69/63/1031566963.db2.gz YYWQXBRMUCQGCJ-DCCYDQLOSA-N 2 1 317.521 3.903 20 30 DHEDMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000151380653 1033443945 /nfs/dbraw/zinc/44/39/45/1033443945.db2.gz YUOPBRBVZKCIFM-OXQOHEQNSA-N 2 1 311.473 3.691 20 30 DHEDMP CCCCCCCC[C@H](CCC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001173310046 1033663047 /nfs/dbraw/zinc/66/30/47/1033663047.db2.gz OFWQJVAGHKOFKW-PMACEKPBSA-N 2 1 323.569 3.918 20 30 DHEDMP N#CCC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173325614 1033686287 /nfs/dbraw/zinc/68/62/87/1033686287.db2.gz LOTAYTHTHFCZPW-SKINQDTJSA-N 2 1 311.473 3.571 20 30 DHEDMP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)o1 ZINC000174323379 1033925138 /nfs/dbraw/zinc/92/51/38/1033925138.db2.gz QUFVDPOOQNDNHL-UHFFFAOYSA-N 2 1 323.440 3.817 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898519696 1034082719 /nfs/dbraw/zinc/08/27/19/1034082719.db2.gz QFGHJEFYNCSHRM-YMQHIKHWSA-N 2 1 323.484 3.569 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000898519690 1034083931 /nfs/dbraw/zinc/08/39/31/1034083931.db2.gz QFGHJEFYNCSHRM-CRSSMBPESA-N 2 1 323.484 3.569 20 30 DHEDMP C#CC[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001176070155 1035190559 /nfs/dbraw/zinc/19/05/59/1035190559.db2.gz NCVSIZOXIVGRPE-JOCHJYFZSA-N 2 1 324.512 3.676 20 30 DHEDMP C=CCC[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193472016 1035639723 /nfs/dbraw/zinc/63/97/23/1035639723.db2.gz BEKRTFFOQXOUBZ-UHFFFAOYSA-N 2 1 300.490 3.839 20 30 DHEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC001198908337 1037167980 /nfs/dbraw/zinc/16/79/80/1037167980.db2.gz QBUYNMYPSYTMHV-UHFFFAOYSA-N 2 1 313.489 3.919 20 30 DHEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC001198908337 1037167990 /nfs/dbraw/zinc/16/79/90/1037167990.db2.gz QBUYNMYPSYTMHV-UHFFFAOYSA-N 2 1 313.489 3.919 20 30 DHEDMP CCCCCCCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001201826131 1037912615 /nfs/dbraw/zinc/91/26/15/1037912615.db2.gz NRCSHLZVYDXZIL-IBGZPJMESA-N 2 1 310.526 3.922 20 30 DHEDMP CCCCCCCC[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001201826131 1037912628 /nfs/dbraw/zinc/91/26/28/1037912628.db2.gz NRCSHLZVYDXZIL-IBGZPJMESA-N 2 1 310.526 3.922 20 30 DHEDMP C[C@]1(C#N)CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000591026560 1038749922 /nfs/dbraw/zinc/74/99/22/1038749922.db2.gz UVIMUEUIPFHSCT-HXUWFJFHSA-N 2 1 311.473 3.798 20 30 DHEDMP C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000591026560 1038749930 /nfs/dbraw/zinc/74/99/30/1038749930.db2.gz UVIMUEUIPFHSCT-HXUWFJFHSA-N 2 1 311.473 3.798 20 30 DHEDMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594514725 1039815961 /nfs/dbraw/zinc/81/59/61/1039815961.db2.gz LBHQHYNPXKXGHE-UHFFFAOYSA-N 2 1 311.473 3.790 20 30 DHEDMP C=CCCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000594960200 1039964893 /nfs/dbraw/zinc/96/48/93/1039964893.db2.gz NAMPHCPRJIDNJF-HKUYNNGSSA-N 2 1 318.530 3.938 20 30 DHEDMP C=CCCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000594960200 1039964910 /nfs/dbraw/zinc/96/49/10/1039964910.db2.gz NAMPHCPRJIDNJF-HKUYNNGSSA-N 2 1 318.530 3.938 20 30 DHEDMP N#CC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595623219 1040194908 /nfs/dbraw/zinc/19/49/08/1040194908.db2.gz KFQLSHMISIBURT-GOSISDBHSA-N 2 1 311.473 3.798 20 30 DHEDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094359 1040307393 /nfs/dbraw/zinc/30/73/93/1040307393.db2.gz LCNBEHRMFCGDPZ-UYAOXDASSA-N 2 1 311.473 3.721 20 30 DHEDMP C[C@H](CCC#N)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000602481975 1041053219 /nfs/dbraw/zinc/05/32/19/1041053219.db2.gz DQUMUEFHDQSRQD-QZTJIDSGSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602569660 1041100557 /nfs/dbraw/zinc/10/05/57/1041100557.db2.gz RAVAJVCPBLUYLU-PNYFIKQUSA-N 2 1 313.489 3.672 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602569957 1041102880 /nfs/dbraw/zinc/10/28/80/1041102880.db2.gz FCCUPQPMYDVNSS-NXVRBGIVSA-N 2 1 308.429 3.914 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC3(CC#N)CC3)C2)s1 ZINC000602828823 1041247669 /nfs/dbraw/zinc/24/76/69/1041247669.db2.gz UZIYVBRJNNQPEL-MRXNPFEDSA-N 2 1 317.502 3.504 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828823 1041247688 /nfs/dbraw/zinc/24/76/88/1041247688.db2.gz UZIYVBRJNNQPEL-MRXNPFEDSA-N 2 1 317.502 3.504 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828823 1041247705 /nfs/dbraw/zinc/24/77/05/1041247705.db2.gz UZIYVBRJNNQPEL-MRXNPFEDSA-N 2 1 317.502 3.504 20 30 DHEDMP CC1([NH+]2CCCC2)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000602953961 1041324980 /nfs/dbraw/zinc/32/49/80/1041324980.db2.gz FKIRRWHQANFMPR-UHFFFAOYSA-N 2 1 303.494 3.801 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCC)CC2)cc1 ZINC000092165302 332114288 /nfs/dbraw/zinc/11/42/88/332114288.db2.gz JNHJKVMHNQWYLH-UHFFFAOYSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CCC)CC2)cc1 ZINC000092165302 332114289 /nfs/dbraw/zinc/11/42/89/332114289.db2.gz JNHJKVMHNQWYLH-UHFFFAOYSA-N 2 1 302.462 3.558 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000174325122 333084958 /nfs/dbraw/zinc/08/49/58/333084958.db2.gz JLMSCBGHHUXXID-INIZCTEOSA-N 2 1 319.518 3.880 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000174325122 333084959 /nfs/dbraw/zinc/08/49/59/333084959.db2.gz JLMSCBGHHUXXID-INIZCTEOSA-N 2 1 319.518 3.880 20 30 DHEDMP CC(C)(C#N)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285471444 334148134 /nfs/dbraw/zinc/14/81/34/334148134.db2.gz HMBHGXURGIERBW-HXUWFJFHSA-N 2 1 311.473 3.524 20 30 DHEDMP CC(C)(C#N)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285471444 334148135 /nfs/dbraw/zinc/14/81/35/334148135.db2.gz HMBHGXURGIERBW-HXUWFJFHSA-N 2 1 311.473 3.524 20 30 DHEDMP CC(C)(C#N)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285471444 334148137 /nfs/dbraw/zinc/14/81/37/334148137.db2.gz HMBHGXURGIERBW-HXUWFJFHSA-N 2 1 311.473 3.524 20 30 DHEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000292829369 334193048 /nfs/dbraw/zinc/19/30/48/334193048.db2.gz OPUDVVJJCZNXSH-IVAOSVALSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000292829369 334193050 /nfs/dbraw/zinc/19/30/50/334193050.db2.gz OPUDVVJJCZNXSH-IVAOSVALSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000292829369 334193052 /nfs/dbraw/zinc/19/30/52/334193052.db2.gz OPUDVVJJCZNXSH-IVAOSVALSA-N 2 1 323.484 3.665 20 30 DHEDMP C=CCOc1ccccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535081619 334366208 /nfs/dbraw/zinc/36/62/08/334366208.db2.gz FCGILDDHVZFJRH-UHFFFAOYSA-N 2 1 316.489 3.804 20 30 DHEDMP C[C@H](c1ccco1)N(C)CC#CC[N@@H+](C)[C@H](C)c1ccco1 ZINC000351614762 336050691 /nfs/dbraw/zinc/05/06/91/336050691.db2.gz IODDCWYMVVIJMO-HZPDHXFCSA-N 2 1 300.402 3.562 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872546 336278465 /nfs/dbraw/zinc/27/84/65/336278465.db2.gz QHXLHDMJXMHGTJ-QGZVFWFLSA-N 2 1 307.441 3.731 20 30 DHEDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000192918880 336284275 /nfs/dbraw/zinc/28/42/75/336284275.db2.gz BONGQGORFJXYQB-IRXDYDNUSA-N 2 1 315.461 3.504 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193906374 337081256 /nfs/dbraw/zinc/08/12/56/337081256.db2.gz DSAONPIBSGTRMA-UHFFFAOYSA-N 2 1 304.503 3.550 20 30 DHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000268776748 337635419 /nfs/dbraw/zinc/63/54/19/337635419.db2.gz ASOPPWHGDRUCOP-CQSZACIVSA-N 2 1 319.836 3.674 20 30 DHEDMP C=CC[N@H+](C)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000428367925 338049094 /nfs/dbraw/zinc/04/90/94/338049094.db2.gz AROIVPCHBWWUDT-UHFFFAOYSA-N 2 1 321.424 3.840 20 30 DHEDMP C=CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000472751688 339376924 /nfs/dbraw/zinc/37/69/24/339376924.db2.gz NVOIXPRVUSGFCU-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000472751688 339376925 /nfs/dbraw/zinc/37/69/25/339376925.db2.gz NVOIXPRVUSGFCU-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000472751688 339376926 /nfs/dbraw/zinc/37/69/26/339376926.db2.gz NVOIXPRVUSGFCU-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000472751688 339376927 /nfs/dbraw/zinc/37/69/27/339376927.db2.gz NVOIXPRVUSGFCU-GOSISDBHSA-N 2 1 302.462 3.558 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000482630022 339638188 /nfs/dbraw/zinc/63/81/88/339638188.db2.gz MFAWXSHARXQVAG-NRFANRHFSA-N 2 1 312.501 3.946 20 30 DHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000510957464 340316106 /nfs/dbraw/zinc/31/61/06/340316106.db2.gz GYYMAXLGFHQALH-OTWHNJEPSA-N 2 1 311.473 3.569 20 30 DHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000510957464 340316107 /nfs/dbraw/zinc/31/61/07/340316107.db2.gz GYYMAXLGFHQALH-OTWHNJEPSA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000544611046 341088767 /nfs/dbraw/zinc/08/87/67/341088767.db2.gz GGNUADNNFNREQY-ONEGZZNKSA-N 2 1 306.400 3.608 20 30 DHEDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255335 341234352 /nfs/dbraw/zinc/23/43/52/341234352.db2.gz LXSVIIKJWMSBLW-GOSISDBHSA-N 2 1 313.489 3.794 20 30 DHEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255335 341234353 /nfs/dbraw/zinc/23/43/53/341234353.db2.gz LXSVIIKJWMSBLW-GOSISDBHSA-N 2 1 313.489 3.794 20 30 DHEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255335 341234354 /nfs/dbraw/zinc/23/43/54/341234354.db2.gz LXSVIIKJWMSBLW-GOSISDBHSA-N 2 1 313.489 3.794 20 30 DHEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255335 341234355 /nfs/dbraw/zinc/23/43/55/341234355.db2.gz LXSVIIKJWMSBLW-GOSISDBHSA-N 2 1 313.489 3.794 20 30 DHEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255335 341234356 /nfs/dbraw/zinc/23/43/56/341234356.db2.gz LXSVIIKJWMSBLW-GOSISDBHSA-N 2 1 313.489 3.794 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000153034555 341521604 /nfs/dbraw/zinc/52/16/04/341521604.db2.gz GPYURLOIYNUMOB-GOSISDBHSA-N 2 1 304.865 3.957 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000191470507 521662900 /nfs/dbraw/zinc/66/29/00/521662900.db2.gz IHJXWBAPDICAIH-MRXNPFEDSA-N 2 1 310.445 3.790 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000191470507 521662904 /nfs/dbraw/zinc/66/29/04/521662904.db2.gz IHJXWBAPDICAIH-MRXNPFEDSA-N 2 1 310.445 3.790 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000180221312 524810350 /nfs/dbraw/zinc/81/03/50/524810350.db2.gz CRLWNFHPVLSASE-JXFKEZNVSA-N 2 1 319.452 3.798 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120892326 1013708871 /nfs/dbraw/zinc/70/88/71/1013708871.db2.gz WTIJIESUWAICAT-UHFFFAOYSA-N 2 1 317.452 3.641 20 30 DHEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000177691598 1013979983 /nfs/dbraw/zinc/97/99/83/1013979983.db2.gz GWFZHMCCYLVUEB-UHFFFAOYSA-N 2 1 313.470 3.750 20 30 DHEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341584607 1015553983 /nfs/dbraw/zinc/55/39/83/1015553983.db2.gz FSUSISZIIHNWLU-SJORKVTESA-N 2 1 308.510 3.600 20 30 DHEDMP C=CCOC1CCC([N@H+](C)C2CC[NH+](CCCC)CC2)CC1 ZINC001173325935 1033684695 /nfs/dbraw/zinc/68/46/95/1033684695.db2.gz UESKPNOUYFFAFS-UHFFFAOYSA-N 2 1 308.510 3.697 20 30 DHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158261546 1016717788 /nfs/dbraw/zinc/71/77/88/1016717788.db2.gz BUBUESLLAFXUQC-CVEARBPZSA-N 2 1 322.880 3.810 20 30 DHEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](CCCC)CC2)cc1 ZINC000122962551 1032591076 /nfs/dbraw/zinc/59/10/76/1032591076.db2.gz SWZJZKSXLKQTBD-UHFFFAOYSA-N 2 1 302.462 3.606 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000424319613 1011976211 /nfs/dbraw/zinc/97/62/11/1011976211.db2.gz FFXIGINLSKGHMU-XNTOXWQXSA-N 2 1 323.484 3.711 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](CC)CCC[NH+]2CCCC2)cc1 ZINC000515332398 1012604495 /nfs/dbraw/zinc/60/44/95/1012604495.db2.gz DFANMRSJRYHNPE-UHFFFAOYSA-N 2 1 302.462 3.559 20 30 DHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000515609989 1012677522 /nfs/dbraw/zinc/67/75/22/1012677522.db2.gz HLIGALZWYCLCIL-UHFFFAOYSA-N 2 1 305.510 3.903 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000134167165 1017775003 /nfs/dbraw/zinc/77/50/03/1017775003.db2.gz SDSPVSYNLFSBQW-UHFFFAOYSA-N 2 1 305.491 3.564 20 30 DHEDMP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000701831624 1018108913 /nfs/dbraw/zinc/10/89/13/1018108913.db2.gz YQTLYSZRMGAVSQ-UHFFFAOYSA-N 2 1 319.452 3.621 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000152993268 1018711737 /nfs/dbraw/zinc/71/17/37/1018711737.db2.gz MBVHKSSIMGCTOA-OAHLLOKOSA-N 2 1 317.433 3.594 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708537145 1018842463 /nfs/dbraw/zinc/84/24/63/1018842463.db2.gz IQOCCTRRLIQDCZ-ZHALLVOQSA-N 2 1 313.489 3.672 20 30 DHEDMP C[NH+]1C(C)(C)CC([N@@H+]2CCc3ccc(C#N)cc3C2)CC1(C)C ZINC001171631357 1032793382 /nfs/dbraw/zinc/79/33/82/1032793382.db2.gz HJNKJTBMDVKNSA-UHFFFAOYSA-N 2 1 311.473 3.568 20 30 DHEDMP C[NH+]1C(C)(C)CC([N@H+]2CCc3ccc(C#N)cc3C2)CC1(C)C ZINC001171631357 1032793411 /nfs/dbraw/zinc/79/34/11/1032793411.db2.gz HJNKJTBMDVKNSA-UHFFFAOYSA-N 2 1 311.473 3.568 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657876132 1019728086 /nfs/dbraw/zinc/72/80/86/1019728086.db2.gz UQPQQCMMHXDPBH-AWEZNQCLSA-N 2 1 315.486 3.987 20 30 DHEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348025643 1020479234 /nfs/dbraw/zinc/47/92/34/1020479234.db2.gz COICNKVBNKAGJD-AZUAARDMSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348025643 1020479242 /nfs/dbraw/zinc/47/92/42/1020479242.db2.gz COICNKVBNKAGJD-AZUAARDMSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000348025643 1020479249 /nfs/dbraw/zinc/47/92/49/1020479249.db2.gz COICNKVBNKAGJD-AZUAARDMSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000348025643 1020479255 /nfs/dbraw/zinc/47/92/55/1020479255.db2.gz COICNKVBNKAGJD-AZUAARDMSA-N 2 1 316.489 3.564 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000829180794 1020844690 /nfs/dbraw/zinc/84/46/90/1020844690.db2.gz YBYMHIXUWJUKJY-LMMKCTJWSA-N 2 1 313.489 3.815 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000829180794 1020844697 /nfs/dbraw/zinc/84/46/97/1020844697.db2.gz YBYMHIXUWJUKJY-LMMKCTJWSA-N 2 1 313.489 3.815 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987708 1032970501 /nfs/dbraw/zinc/97/05/01/1032970501.db2.gz HUBGCDWZZAIIGK-ICSRJNTNSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987708 1032970512 /nfs/dbraw/zinc/97/05/12/1032970512.db2.gz HUBGCDWZZAIIGK-ICSRJNTNSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987708 1032970525 /nfs/dbraw/zinc/97/05/25/1032970525.db2.gz HUBGCDWZZAIIGK-ICSRJNTNSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987708 1032970538 /nfs/dbraw/zinc/97/05/38/1032970538.db2.gz HUBGCDWZZAIIGK-ICSRJNTNSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172084375 1032981600 /nfs/dbraw/zinc/98/16/00/1032981600.db2.gz WWLYMGHWJLMPKR-PSWRPDDJSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172084375 1032981610 /nfs/dbraw/zinc/98/16/10/1032981610.db2.gz WWLYMGHWJLMPKR-PSWRPDDJSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172084375 1032981622 /nfs/dbraw/zinc/98/16/22/1032981622.db2.gz WWLYMGHWJLMPKR-PSWRPDDJSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172084375 1032981628 /nfs/dbraw/zinc/98/16/28/1032981628.db2.gz WWLYMGHWJLMPKR-PSWRPDDJSA-N 2 1 322.496 3.917 20 30 DHEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000850426333 1021526527 /nfs/dbraw/zinc/52/65/27/1021526527.db2.gz UGBZMLNDHDZJRT-ROUUACIJSA-N 2 1 310.445 3.800 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000153026910 1021929063 /nfs/dbraw/zinc/92/90/63/1021929063.db2.gz WHMYALVTSCZPLO-LJQANCHMSA-N 2 1 316.514 3.647 20 30 DHEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124258 1033025940 /nfs/dbraw/zinc/02/59/40/1033025940.db2.gz KBMDZUKCJCBMJM-RCLSDMTESA-N 2 1 308.469 3.624 20 30 DHEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124258 1033025947 /nfs/dbraw/zinc/02/59/47/1033025947.db2.gz KBMDZUKCJCBMJM-RCLSDMTESA-N 2 1 308.469 3.624 20 30 DHEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124258 1033025958 /nfs/dbraw/zinc/02/59/58/1033025958.db2.gz KBMDZUKCJCBMJM-RCLSDMTESA-N 2 1 308.469 3.624 20 30 DHEDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299207 1033103637 /nfs/dbraw/zinc/10/36/37/1033103637.db2.gz KFJBDZUVTXVFLV-MSOLQXFVSA-N 2 1 321.468 3.586 20 30 DHEDMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299210 1033104339 /nfs/dbraw/zinc/10/43/39/1033104339.db2.gz KFJBDZUVTXVFLV-ROUUACIJSA-N 2 1 321.468 3.586 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000187178505 1024963634 /nfs/dbraw/zinc/96/36/34/1024963634.db2.gz KMXIXWQMSWRACH-HXUWFJFHSA-N 2 1 300.490 3.884 20 30 DHEDMP C=CCCCCC[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000793525257 1025074974 /nfs/dbraw/zinc/07/49/74/1025074974.db2.gz KIVINNKSAVCSON-SFHVURJKSA-N 2 1 308.510 3.746 20 30 DHEDMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171698 1025800006 /nfs/dbraw/zinc/80/00/06/1025800006.db2.gz WUBIRLLLDCERFM-MOPGFXCFSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171698 1025800018 /nfs/dbraw/zinc/80/00/18/1025800018.db2.gz WUBIRLLLDCERFM-MOPGFXCFSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171698 1025800046 /nfs/dbraw/zinc/80/00/46/1025800046.db2.gz WUBIRLLLDCERFM-MOPGFXCFSA-N 2 1 311.473 3.546 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000809625014 1026574885 /nfs/dbraw/zinc/57/48/85/1026574885.db2.gz UASJNZDRNOPUJT-PGRDOPGGSA-N 2 1 318.464 3.811 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000809625014 1026574889 /nfs/dbraw/zinc/57/48/89/1026574889.db2.gz UASJNZDRNOPUJT-PGRDOPGGSA-N 2 1 318.464 3.811 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809635248 1026578887 /nfs/dbraw/zinc/57/88/87/1026578887.db2.gz VCXDQTNZSSIPCI-PGRDOPGGSA-N 2 1 318.464 3.668 20 30 DHEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367208168 1028148224 /nfs/dbraw/zinc/14/82/24/1028148224.db2.gz HWIHZEIXNCWORV-QFBILLFUSA-N 2 1 323.484 3.816 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCC#N)cc1F ZINC000367659479 1028221289 /nfs/dbraw/zinc/22/12/89/1028221289.db2.gz LTFNVAHNZQOCKW-ZDUSSCGKSA-N 2 1 300.381 3.664 20 30 DHEDMP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449294952 1028516556 /nfs/dbraw/zinc/51/65/56/1028516556.db2.gz OIZIPBQGKRQTRP-XEVCZEQESA-N 2 1 311.473 3.571 20 30 DHEDMP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110054 1028557395 /nfs/dbraw/zinc/55/73/95/1028557395.db2.gz WXGIKKBVDQORMY-NRFANRHFSA-N 2 1 319.452 3.512 20 30 DHEDMP C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110054 1028557403 /nfs/dbraw/zinc/55/74/03/1028557403.db2.gz WXGIKKBVDQORMY-NRFANRHFSA-N 2 1 319.452 3.512 20 30 DHEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110054 1028557412 /nfs/dbraw/zinc/55/74/12/1028557412.db2.gz WXGIKKBVDQORMY-NRFANRHFSA-N 2 1 319.452 3.512 20 30 DHEDMP C[NH+](Cc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110054 1028557421 /nfs/dbraw/zinc/55/74/21/1028557421.db2.gz WXGIKKBVDQORMY-NRFANRHFSA-N 2 1 319.452 3.512 20 30 DHEDMP CC(C)c1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000374274633 1029270660 /nfs/dbraw/zinc/27/06/60/1029270660.db2.gz ZXMJMPHAWKJURC-AWEZNQCLSA-N 2 1 314.458 3.777 20 30 DHEDMP CC(C)c1nccn1[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000374274633 1029270673 /nfs/dbraw/zinc/27/06/73/1029270673.db2.gz ZXMJMPHAWKJURC-AWEZNQCLSA-N 2 1 314.458 3.777 20 30 DHEDMP C#CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820820785 1029770802 /nfs/dbraw/zinc/77/08/02/1029770802.db2.gz BKLVRPFVKNFJOY-SEJPIABJSA-N 2 1 310.485 3.965 20 30 DHEDMP CCCCCCCCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246149966 1029896375 /nfs/dbraw/zinc/89/63/75/1029896375.db2.gz DEMCIEALDRHRNS-SJORKVTESA-N 2 1 314.514 3.776 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000872139708 1031533303 /nfs/dbraw/zinc/53/33/03/1031533303.db2.gz OASJLEOHSKPAKA-WSJSTIOHSA-N 2 1 322.496 3.964 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000872138966 1031533486 /nfs/dbraw/zinc/53/34/86/1031533486.db2.gz CHNIEJYCRBXOHC-JBACZVJFSA-N 2 1 322.496 3.965 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000872138966 1031533493 /nfs/dbraw/zinc/53/34/93/1031533493.db2.gz CHNIEJYCRBXOHC-JBACZVJFSA-N 2 1 322.496 3.965 20 30 DHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929762798 1031599263 /nfs/dbraw/zinc/59/92/63/1031599263.db2.gz IZJPIBCSFGICLB-GOSISDBHSA-N 2 1 303.494 3.514 20 30 DHEDMP Cc1cccc(NC(=[NH2+])NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000104162916 1033654201 /nfs/dbraw/zinc/65/42/01/1033654201.db2.gz ZYLKKXXTVPRMNN-UHFFFAOYSA-N 2 1 324.472 3.762 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000080338231 1034859402 /nfs/dbraw/zinc/85/94/02/1034859402.db2.gz MVWDCKCDLKUSEV-IEBWSBKVSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000080338231 1034859412 /nfs/dbraw/zinc/85/94/12/1034859412.db2.gz MVWDCKCDLKUSEV-IEBWSBKVSA-N 2 1 313.489 3.959 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC001178826744 1035450001 /nfs/dbraw/zinc/45/00/01/1035450001.db2.gz HYDVZYWHMGOQHA-UHFFFAOYSA-N 2 1 320.889 3.908 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC001178826744 1035450003 /nfs/dbraw/zinc/45/00/03/1035450003.db2.gz HYDVZYWHMGOQHA-UHFFFAOYSA-N 2 1 320.889 3.908 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)CCc2ccccc2)CC1 ZINC000540603017 1036111610 /nfs/dbraw/zinc/11/16/10/1036111610.db2.gz GOJPPZRGQRDFDH-GOSISDBHSA-N 2 1 300.490 3.885 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929644974 1036197188 /nfs/dbraw/zinc/19/71/88/1036197188.db2.gz YYWQXBRMUCQGCJ-YNIZLOQISA-N 2 1 317.521 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929644974 1036197198 /nfs/dbraw/zinc/19/71/98/1036197198.db2.gz YYWQXBRMUCQGCJ-YNIZLOQISA-N 2 1 317.521 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929644974 1036197209 /nfs/dbraw/zinc/19/72/09/1036197209.db2.gz YYWQXBRMUCQGCJ-YNIZLOQISA-N 2 1 317.521 3.903 20 30 DHEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCc2ccccc21 ZINC001198104913 1036953767 /nfs/dbraw/zinc/95/37/67/1036953767.db2.gz VLZOUVPQRKTORJ-NRFANRHFSA-N 2 1 321.468 3.985 20 30 DHEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCc2ccccc21 ZINC001198104913 1036953784 /nfs/dbraw/zinc/95/37/84/1036953784.db2.gz VLZOUVPQRKTORJ-NRFANRHFSA-N 2 1 321.468 3.985 20 30 DHEDMP Cc1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000443996862 1037004557 /nfs/dbraw/zinc/00/45/57/1037004557.db2.gz KOEOCEWAXXJRCM-SFHVURJKSA-N 2 1 321.468 3.867 20 30 DHEDMP Cc1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000443996862 1037004574 /nfs/dbraw/zinc/00/45/74/1037004574.db2.gz KOEOCEWAXXJRCM-SFHVURJKSA-N 2 1 321.468 3.867 20 30 DHEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058690 1037905404 /nfs/dbraw/zinc/90/54/04/1037905404.db2.gz HBAGGZQASSOSFQ-FQEVSTJZSA-N 2 1 311.473 3.646 20 30 DHEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491058690 1037905416 /nfs/dbraw/zinc/90/54/16/1037905416.db2.gz HBAGGZQASSOSFQ-FQEVSTJZSA-N 2 1 311.473 3.646 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030872 1039362278 /nfs/dbraw/zinc/36/22/78/1039362278.db2.gz PIXCPZRNKNNPON-BBWFWOEESA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030872 1039362291 /nfs/dbraw/zinc/36/22/91/1039362291.db2.gz PIXCPZRNKNNPON-BBWFWOEESA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030872 1039362301 /nfs/dbraw/zinc/36/23/01/1039362301.db2.gz PIXCPZRNKNNPON-BBWFWOEESA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030872 1039362314 /nfs/dbraw/zinc/36/23/14/1039362314.db2.gz PIXCPZRNKNNPON-BBWFWOEESA-N 2 1 317.502 3.503 20 30 DHEDMP N#CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602523907 1041071160 /nfs/dbraw/zinc/07/11/60/1041071160.db2.gz IBOSGRMFWUYNPI-SYYJFZTOSA-N 2 1 311.473 3.571 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602546619 1041086275 /nfs/dbraw/zinc/08/62/75/1041086275.db2.gz VTLGVESUPQFEEO-PKOBYXMFSA-N 2 1 316.514 3.863 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602546619 1041086288 /nfs/dbraw/zinc/08/62/88/1041086288.db2.gz VTLGVESUPQFEEO-PKOBYXMFSA-N 2 1 316.514 3.863 20 30 DHEDMP C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602590063 1041104795 /nfs/dbraw/zinc/10/47/95/1041104795.db2.gz VSSVELDIJXUAGL-PYXOFJJQSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000602665890 1041149308 /nfs/dbraw/zinc/14/93/08/1041149308.db2.gz DLLBEEAFDRREDA-AZUAARDMSA-N 2 1 313.489 3.818 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](CC2(CC#N)CC2)CC1)CC1CC1 ZINC000602796224 1041218454 /nfs/dbraw/zinc/21/84/54/1041218454.db2.gz DMVURLNTGOGXTP-UHFFFAOYSA-N 2 1 303.494 3.514 20 30 DHEDMP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000602967989 1041333424 /nfs/dbraw/zinc/33/34/24/1041333424.db2.gz VWPNCVFSARHRLD-UHFFFAOYSA-N 2 1 313.489 3.794 20 30 DHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000152977901 332338172 /nfs/dbraw/zinc/33/81/72/332338172.db2.gz NDJJIYDJHWWWJK-QGZVFWFLSA-N 2 1 302.462 3.923 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000152977901 332338174 /nfs/dbraw/zinc/33/81/74/332338174.db2.gz NDJJIYDJHWWWJK-QGZVFWFLSA-N 2 1 302.462 3.923 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC)cc2)CC1 ZINC000153046646 332338951 /nfs/dbraw/zinc/33/89/51/332338951.db2.gz SJPZWRZWNIDITK-MRXNPFEDSA-N 2 1 302.462 3.776 20 30 DHEDMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271054732 334017542 /nfs/dbraw/zinc/01/75/42/334017542.db2.gz CNJJHEXFCCUNII-UHFFFAOYSA-N 2 1 313.489 3.710 20 30 DHEDMP C=CCC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1CC1 ZINC000438993681 334144322 /nfs/dbraw/zinc/14/43/22/334144322.db2.gz CHHLAXINXHUGRS-IBGZPJMESA-N 2 1 320.521 3.744 20 30 DHEDMP C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295123170 334219088 /nfs/dbraw/zinc/21/90/88/334219088.db2.gz WWZYGWDGXBIQAZ-XEYPJELSSA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417307784 334704748 /nfs/dbraw/zinc/70/47/48/334704748.db2.gz HHSKAFGDKUNPCS-BHYGNILZSA-N 2 1 304.503 3.870 20 30 DHEDMP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000366890237 335302595 /nfs/dbraw/zinc/30/25/95/335302595.db2.gz YOISCGQMTOZBID-UHFFFAOYSA-N 2 1 317.864 3.519 20 30 DHEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000366890237 335302597 /nfs/dbraw/zinc/30/25/97/335302597.db2.gz YOISCGQMTOZBID-UHFFFAOYSA-N 2 1 317.864 3.519 20 30 DHEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093000 335374269 /nfs/dbraw/zinc/37/42/69/335374269.db2.gz ZTFOATRZEUVCLE-CABCVRRESA-N 2 1 303.425 3.612 20 30 DHEDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093000 335374270 /nfs/dbraw/zinc/37/42/70/335374270.db2.gz ZTFOATRZEUVCLE-CABCVRRESA-N 2 1 303.425 3.612 20 30 DHEDMP C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375753312 337018755 /nfs/dbraw/zinc/01/87/55/337018755.db2.gz JTSPJAUKIOXAPM-JWTNVVGKSA-N 2 1 311.473 3.545 20 30 DHEDMP C[NH+](Cc1ccccc1C(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375753312 337018756 /nfs/dbraw/zinc/01/87/56/337018756.db2.gz JTSPJAUKIOXAPM-JWTNVVGKSA-N 2 1 311.473 3.545 20 30 DHEDMP C[NH+](Cc1ccccc1C(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375753312 337018757 /nfs/dbraw/zinc/01/87/57/337018757.db2.gz JTSPJAUKIOXAPM-JWTNVVGKSA-N 2 1 311.473 3.545 20 30 DHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515179 337075011 /nfs/dbraw/zinc/07/50/11/337075011.db2.gz FXHWLNLYEQABJS-ZLGUVYLKSA-N 2 1 319.452 3.902 20 30 DHEDMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(C#N)s1 ZINC000183364981 337191508 /nfs/dbraw/zinc/19/15/08/337191508.db2.gz OOONQCBDICIWTC-AWEZNQCLSA-N 2 1 317.502 3.925 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000469988656 339307179 /nfs/dbraw/zinc/30/71/79/339307179.db2.gz DCXHAVGXGSCITR-XYPWUTKMSA-N 2 1 320.864 3.620 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000469988656 339307180 /nfs/dbraw/zinc/30/71/80/339307180.db2.gz DCXHAVGXGSCITR-XYPWUTKMSA-N 2 1 320.864 3.620 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000506380168 340193632 /nfs/dbraw/zinc/19/36/32/340193632.db2.gz KUKBPFCMBMRLNJ-UHFFFAOYSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000506380168 340193633 /nfs/dbraw/zinc/19/36/33/340193633.db2.gz KUKBPFCMBMRLNJ-UHFFFAOYSA-N 2 1 302.462 3.556 20 30 DHEDMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1c1ccccc1 ZINC000550794944 341323105 /nfs/dbraw/zinc/32/31/05/341323105.db2.gz NHZZTJFLPLLGQN-TZJYRCSTSA-N 2 1 311.473 3.741 20 30 DHEDMP C[N@H+]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1c1ccccc1 ZINC000550794944 341323106 /nfs/dbraw/zinc/32/31/06/341323106.db2.gz NHZZTJFLPLLGQN-TZJYRCSTSA-N 2 1 311.473 3.741 20 30 DHEDMP C#CCCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001209266849 1013139111 /nfs/dbraw/zinc/13/91/11/1013139111.db2.gz DTNBUFHONOVSAF-YTQUADARSA-N 2 1 316.514 3.694 20 30 DHEDMP C#CCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209266849 1013139117 /nfs/dbraw/zinc/13/91/17/1013139117.db2.gz DTNBUFHONOVSAF-YTQUADARSA-N 2 1 316.514 3.694 20 30 DHEDMP C[C@H](CC[NH2+]CC(C)(C)CCC#N)[N@@H+](C)Cc1ccccc1 ZINC000080206524 1013909859 /nfs/dbraw/zinc/90/98/59/1013909859.db2.gz FQCPGKCWGCCVQG-QGZVFWFLSA-N 2 1 301.478 3.817 20 30 DHEDMP CCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000119134568 1014161665 /nfs/dbraw/zinc/16/16/65/1014161665.db2.gz WVQINCPNYUVCAL-UHFFFAOYSA-N 2 1 310.445 3.756 20 30 DHEDMP CCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000119134568 1014161670 /nfs/dbraw/zinc/16/16/70/1014161670.db2.gz WVQINCPNYUVCAL-UHFFFAOYSA-N 2 1 310.445 3.756 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442706551 1014718677 /nfs/dbraw/zinc/71/86/77/1014718677.db2.gz DUOUXNQHUJIKHR-UWVAXJGDSA-N 2 1 311.473 3.843 20 30 DHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442780714 1014730006 /nfs/dbraw/zinc/73/00/06/1014730006.db2.gz NITKIJIZNIZIEY-APWZRJJASA-N 2 1 323.440 3.693 20 30 DHEDMP N#CCC1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173335765 1033692375 /nfs/dbraw/zinc/69/23/75/1033692375.db2.gz XPHVDUFFOMOWHG-XBMUEBEBSA-N 2 1 303.494 3.799 20 30 DHEDMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000346881599 1016612493 /nfs/dbraw/zinc/61/24/93/1016612493.db2.gz NZEYIRBAKSPSBE-LSDHHAIUSA-N 2 1 303.425 3.612 20 30 DHEDMP C#CC1CC[NH+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168056168 1016958091 /nfs/dbraw/zinc/95/80/91/1016958091.db2.gz CUNWWIRWNWLNMX-QZTJIDSGSA-N 2 1 310.485 3.773 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424324909 1011981984 /nfs/dbraw/zinc/98/19/84/1011981984.db2.gz KKEGMVQRNMBLQN-XDWAVFMPSA-N 2 1 323.484 3.569 20 30 DHEDMP C=CCOc1cccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000517536499 1013005531 /nfs/dbraw/zinc/00/55/31/1013005531.db2.gz OIPZRPALSPKONQ-ROUUACIJSA-N 2 1 316.489 3.709 20 30 DHEDMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000765013050 1018448137 /nfs/dbraw/zinc/44/81/37/1018448137.db2.gz GQCNKDWDUMTYRI-OXQOHEQNSA-N 2 1 311.473 3.691 20 30 DHEDMP C[C@]12C[NH+](CCCCC#N)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705688870 1018672373 /nfs/dbraw/zinc/67/23/73/1018672373.db2.gz XLARCHIEHLIEBP-WOJBJXKFSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405067518 1018725138 /nfs/dbraw/zinc/72/51/38/1018725138.db2.gz BPTRPBDNEWESJB-MJGOQNOKSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405067518 1018725154 /nfs/dbraw/zinc/72/51/54/1018725154.db2.gz BPTRPBDNEWESJB-MJGOQNOKSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405067517 1018725953 /nfs/dbraw/zinc/72/59/53/1018725953.db2.gz BPTRPBDNEWESJB-IEBWSBKVSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405067517 1018725965 /nfs/dbraw/zinc/72/59/65/1018725965.db2.gz BPTRPBDNEWESJB-IEBWSBKVSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708537137 1018841289 /nfs/dbraw/zinc/84/12/89/1018841289.db2.gz IQOCCTRRLIQDCZ-SCTDSRPQSA-N 2 1 313.489 3.672 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338971 1019859856 /nfs/dbraw/zinc/85/98/56/1019859856.db2.gz LPGZSQCHBMLRLK-UTKZUKDTSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338971 1019859869 /nfs/dbraw/zinc/85/98/69/1019859869.db2.gz LPGZSQCHBMLRLK-UTKZUKDTSA-N 2 1 319.452 3.701 20 30 DHEDMP C=C(Br)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647903 1021662458 /nfs/dbraw/zinc/66/24/58/1021662458.db2.gz LGXQGGQCCBZKID-ZBFHGGJFSA-N 2 1 323.278 3.538 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000152963741 1021908741 /nfs/dbraw/zinc/90/87/41/1021908741.db2.gz CLRRCMJYRHXSDE-LJQANCHMSA-N 2 1 314.473 3.839 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2cccc(C)c2)CC1 ZINC000152990221 1021914523 /nfs/dbraw/zinc/91/45/23/1021914523.db2.gz SUABDFONVWKMOW-SFHVURJKSA-N 2 1 300.490 3.946 20 30 DHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136566 1021923149 /nfs/dbraw/zinc/92/31/49/1021923149.db2.gz KLXQBNDKJZPKRD-PXNSSMCTSA-N 2 1 319.452 3.731 20 30 DHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N(CC[NH3+])c2cccnc2)cc1 ZINC001168838797 1022147926 /nfs/dbraw/zinc/14/79/26/1022147926.db2.gz OKOVIARSRPKFKJ-HXUWFJFHSA-N 2 1 322.456 3.501 20 30 DHEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768262349 1022936971 /nfs/dbraw/zinc/93/69/71/1022936971.db2.gz IZUPIHQVBHODMH-INIZCTEOSA-N 2 1 307.441 3.813 20 30 DHEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172353983 1033137234 /nfs/dbraw/zinc/13/72/34/1033137234.db2.gz CUMISUIYPVCJAQ-SLFFLAALSA-N 2 1 323.569 3.836 20 30 DHEDMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)[nH+]c1 ZINC000181804681 1023734499 /nfs/dbraw/zinc/73/44/99/1023734499.db2.gz GUMQYJRAFYKYPF-INIZCTEOSA-N 2 1 320.440 3.581 20 30 DHEDMP C=CCC[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883173138 1024268144 /nfs/dbraw/zinc/26/81/44/1024268144.db2.gz CSNPYLIDWKVNCB-GUDVDZBRSA-N 2 1 314.473 3.617 20 30 DHEDMP C=CCCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000883175857 1024269288 /nfs/dbraw/zinc/26/92/88/1024269288.db2.gz QJCPUOGUEDPAOY-FQEVSTJZSA-N 2 1 316.489 3.520 20 30 DHEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001172486899 1033198536 /nfs/dbraw/zinc/19/85/36/1033198536.db2.gz IJGOTSZFGKWIJW-HKUYNNGSSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001172486899 1033198541 /nfs/dbraw/zinc/19/85/41/1033198541.db2.gz IJGOTSZFGKWIJW-HKUYNNGSSA-N 2 1 313.489 3.959 20 30 DHEDMP C=CCC[C@@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883227480 1024302857 /nfs/dbraw/zinc/30/28/57/1024302857.db2.gz RMOXADFXRWDMIR-QBUWPKIASA-N 2 1 314.473 3.615 20 30 DHEDMP C[C@H](CCCC#N)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001172490537 1033222378 /nfs/dbraw/zinc/22/23/78/1033222378.db2.gz HNEHSZMWNYXNKR-GGPKGHCWSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H](CCCC#N)[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172490842 1033222914 /nfs/dbraw/zinc/22/29/14/1033222914.db2.gz AZDUCDRQFBJZIL-ATZDWAIDSA-N 2 1 317.452 3.980 20 30 DHEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869363 1033249558 /nfs/dbraw/zinc/24/95/58/1033249558.db2.gz ARCSQHHSPYBHFC-QKYXUNIQSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869363 1033249563 /nfs/dbraw/zinc/24/95/63/1033249563.db2.gz ARCSQHHSPYBHFC-QKYXUNIQSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869363 1033249569 /nfs/dbraw/zinc/24/95/69/1033249569.db2.gz ARCSQHHSPYBHFC-QKYXUNIQSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869363 1033249580 /nfs/dbraw/zinc/24/95/80/1033249580.db2.gz ARCSQHHSPYBHFC-QKYXUNIQSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449236518 1028457729 /nfs/dbraw/zinc/45/77/29/1028457729.db2.gz YEVYGAPWQCXIPY-HNXFYBAISA-N 2 1 303.494 3.701 20 30 DHEDMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571716 1030539921 /nfs/dbraw/zinc/53/99/21/1030539921.db2.gz PKAUJLAAIVHWIW-CABCVRRESA-N 2 1 303.425 3.612 20 30 DHEDMP N#CCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248163824 1030722461 /nfs/dbraw/zinc/72/24/61/1030722461.db2.gz SPLUVZJGMHXQFY-VQTJNVASSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248163824 1030722477 /nfs/dbraw/zinc/72/24/77/1030722477.db2.gz SPLUVZJGMHXQFY-VQTJNVASSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248163824 1030722496 /nfs/dbraw/zinc/72/24/96/1030722496.db2.gz SPLUVZJGMHXQFY-VQTJNVASSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248869327 1030771892 /nfs/dbraw/zinc/77/18/92/1030771892.db2.gz QJPWTVRMJHCIKP-HLIPFELVSA-N 2 1 311.473 3.884 20 30 DHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000248850948 1030774156 /nfs/dbraw/zinc/77/41/56/1030774156.db2.gz OSVXEAZULZFAGZ-BRWVUGGUSA-N 2 1 317.502 3.632 20 30 DHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000248850948 1030774168 /nfs/dbraw/zinc/77/41/68/1030774168.db2.gz OSVXEAZULZFAGZ-BRWVUGGUSA-N 2 1 317.502 3.632 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271881049 1031264616 /nfs/dbraw/zinc/26/46/16/1031264616.db2.gz PJKUUXHTSVZENB-HNNXBMFYSA-N 2 1 320.864 3.730 20 30 DHEDMP C=CCCC[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536995495 1031483649 /nfs/dbraw/zinc/48/36/49/1031483649.db2.gz NUSJBBYEABJPOV-KURKYZTESA-N 2 1 308.510 3.552 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872139999 1031533167 /nfs/dbraw/zinc/53/31/67/1031533167.db2.gz VAVCAWGFYCUIAS-VURPSTOHSA-N 2 1 310.485 3.679 20 30 DHEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831440 1031578622 /nfs/dbraw/zinc/57/86/22/1031578622.db2.gz FIHWXTFNLAHGLT-YLJYHZDGSA-N 2 1 311.473 3.647 20 30 DHEDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171192884 1031635749 /nfs/dbraw/zinc/63/57/49/1031635749.db2.gz QLFMBKHHXQVRJH-QZTJIDSGSA-N 2 1 321.468 3.586 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001144568644 1031720894 /nfs/dbraw/zinc/72/08/94/1031720894.db2.gz BBVWCJWMBJWPOT-UHFFFAOYSA-N 2 1 308.469 3.508 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001144568644 1031720904 /nfs/dbraw/zinc/72/09/04/1031720904.db2.gz BBVWCJWMBJWPOT-UHFFFAOYSA-N 2 1 308.469 3.508 20 30 DHEDMP N#CCC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173325637 1033684982 /nfs/dbraw/zinc/68/49/82/1033684982.db2.gz OIEXFBMWLICRRM-UHFFFAOYSA-N 2 1 311.473 3.713 20 30 DHEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCC(C)(C#N)CC1 ZINC001173598286 1033785660 /nfs/dbraw/zinc/78/56/60/1033785660.db2.gz OOMUGALFNLJLJF-CXUOOODFSA-N 2 1 303.494 3.798 20 30 DHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173598286 1033785671 /nfs/dbraw/zinc/78/56/71/1033785671.db2.gz OOMUGALFNLJLJF-CXUOOODFSA-N 2 1 303.494 3.798 20 30 DHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173598286 1033785685 /nfs/dbraw/zinc/78/56/85/1033785685.db2.gz OOMUGALFNLJLJF-CXUOOODFSA-N 2 1 303.494 3.798 20 30 DHEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000482158636 1035062130 /nfs/dbraw/zinc/06/21/30/1035062130.db2.gz TVTORKDGFCOOBR-VQIMIIECSA-N 2 1 317.452 3.688 20 30 DHEDMP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001178249089 1035416537 /nfs/dbraw/zinc/41/65/37/1035416537.db2.gz HULCOZPEPJPDAE-LJQANCHMSA-N 2 1 316.489 3.709 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)CCc2ccccc2)CC1 ZINC000540603019 1036110430 /nfs/dbraw/zinc/11/04/30/1036110430.db2.gz GOJPPZRGQRDFDH-SFHVURJKSA-N 2 1 300.490 3.885 20 30 DHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272219325 1036338905 /nfs/dbraw/zinc/33/89/05/1036338905.db2.gz RPYKOEZJIVIXCF-UTKZUKDTSA-N 2 1 319.452 3.558 20 30 DHEDMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)ccc1C#N ZINC000443974442 1036958364 /nfs/dbraw/zinc/95/83/64/1036958364.db2.gz UOPUKXVNOCMMMW-UHFFFAOYSA-N 2 1 321.468 3.997 20 30 DHEDMP C#C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001198526327 1037046799 /nfs/dbraw/zinc/04/67/99/1037046799.db2.gz QJSXJOWGVYGVIB-JOCHJYFZSA-N 2 1 324.512 3.819 20 30 DHEDMP C#C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001198526327 1037046808 /nfs/dbraw/zinc/04/68/08/1037046808.db2.gz QJSXJOWGVYGVIB-JOCHJYFZSA-N 2 1 324.512 3.819 20 30 DHEDMP CCC[NH+]1CCN(c2ccccc2C=[NH+]Nc2ccccc2)CC1 ZINC000915932912 1037617623 /nfs/dbraw/zinc/61/76/23/1037617623.db2.gz FDUXHMRNJDPCFE-UHFFFAOYSA-N 2 1 322.456 3.665 20 30 DHEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062426552 1039773244 /nfs/dbraw/zinc/77/32/44/1039773244.db2.gz RUKJDEZYYRRPDF-OAQYLSRUSA-N 2 1 319.452 3.560 20 30 DHEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094810 1040305975 /nfs/dbraw/zinc/30/59/75/1040305975.db2.gz MKTGHHSEIMJKLS-NQIIRXRSSA-N 2 1 323.484 3.647 20 30 DHEDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094357 1040306538 /nfs/dbraw/zinc/30/65/38/1040306538.db2.gz LCNBEHRMFCGDPZ-ICSRJNTNSA-N 2 1 311.473 3.721 20 30 DHEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596992296 1040628268 /nfs/dbraw/zinc/62/82/68/1040628268.db2.gz VWRLLJBVUICQCR-UHFFFAOYSA-N 2 1 311.473 3.548 20 30 DHEDMP CC[N@@H+](C[C@H](C)CCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602479958 1041053804 /nfs/dbraw/zinc/05/38/04/1041053804.db2.gz CNWUGSXJWYOAQT-UYAOXDASSA-N 2 1 313.489 3.770 20 30 DHEDMP CC[NH+](C[C@H](C)CCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602479958 1041053821 /nfs/dbraw/zinc/05/38/21/1041053821.db2.gz CNWUGSXJWYOAQT-UYAOXDASSA-N 2 1 313.489 3.770 20 30 DHEDMP CC[NH+](C[C@H](C)CCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602479958 1041053838 /nfs/dbraw/zinc/05/38/38/1041053838.db2.gz CNWUGSXJWYOAQT-UYAOXDASSA-N 2 1 313.489 3.770 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000602515273 1041063664 /nfs/dbraw/zinc/06/36/64/1041063664.db2.gz PIYZUKLSEVTLKG-QZTJIDSGSA-N 2 1 313.489 3.948 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602564223 1041098873 /nfs/dbraw/zinc/09/88/73/1041098873.db2.gz RBLXYPKKMBMESS-OQUMVOOASA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602564223 1041098879 /nfs/dbraw/zinc/09/88/79/1041098879.db2.gz RBLXYPKKMBMESS-OQUMVOOASA-N 2 1 311.473 3.569 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](CC2(CC#N)CC2)CC1)CC(C)C ZINC000602796564 1041218344 /nfs/dbraw/zinc/21/83/44/1041218344.db2.gz BTZBFYLNPSOJDX-UHFFFAOYSA-N 2 1 305.510 3.760 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442708812 335035345 /nfs/dbraw/zinc/03/53/45/335035345.db2.gz LPOWHLLZNFPLJF-MBOZVWFJSA-N 2 1 311.473 3.700 20 30 DHEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2nccc3ccccc32)CC1 ZINC000289585856 335064699 /nfs/dbraw/zinc/06/46/99/335064699.db2.gz FCRSANNPUYBHDF-INIZCTEOSA-N 2 1 309.457 3.926 20 30 DHEDMP C=CCN1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180904299 332144874 /nfs/dbraw/zinc/14/48/74/332144874.db2.gz PWMZCOQPCOTXMF-UHFFFAOYSA-N 2 1 312.413 3.812 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(OC)cc2)CC1 ZINC000152986347 332332498 /nfs/dbraw/zinc/33/24/98/332332498.db2.gz QPSXPEVOJHNQRR-IBGZPJMESA-N 2 1 302.462 3.776 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000271067821 334017877 /nfs/dbraw/zinc/01/78/77/334017877.db2.gz KCJDDSVMDSISOX-OMYXNUHHSA-N 2 1 323.484 3.607 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000271067821 334017878 /nfs/dbraw/zinc/01/78/78/334017878.db2.gz KCJDDSVMDSISOX-OMYXNUHHSA-N 2 1 323.484 3.607 20 30 DHEDMP Cc1c[nH+]ccc1OC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000278799888 334101501 /nfs/dbraw/zinc/10/15/01/334101501.db2.gz XPZPVBZGLYSUFK-UHFFFAOYSA-N 2 1 301.434 3.563 20 30 DHEDMP C=CCC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1CC1 ZINC000438993685 334144309 /nfs/dbraw/zinc/14/43/09/334144309.db2.gz CHHLAXINXHUGRS-LJQANCHMSA-N 2 1 320.521 3.744 20 30 DHEDMP CC(C)(C#N)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285471439 334148092 /nfs/dbraw/zinc/14/80/92/334148092.db2.gz HMBHGXURGIERBW-FQEVSTJZSA-N 2 1 311.473 3.524 20 30 DHEDMP CC(C)(C#N)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285471439 334148093 /nfs/dbraw/zinc/14/80/93/334148093.db2.gz HMBHGXURGIERBW-FQEVSTJZSA-N 2 1 311.473 3.524 20 30 DHEDMP CC(C)(C#N)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285471439 334148094 /nfs/dbraw/zinc/14/80/94/334148094.db2.gz HMBHGXURGIERBW-FQEVSTJZSA-N 2 1 311.473 3.524 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c3ncccc3c2)CC1 ZINC000344072417 335215009 /nfs/dbraw/zinc/21/50/09/335215009.db2.gz ONCJAVHLGAMBRD-UHFFFAOYSA-N 2 1 309.457 3.673 20 30 DHEDMP CC(C)(C)C[N@@H+](CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000346154124 335382892 /nfs/dbraw/zinc/38/28/92/335382892.db2.gz QLGHLZLANMMCSM-UHFFFAOYSA-N 2 1 302.447 3.696 20 30 DHEDMP CC(C)(C)CN(CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000346154124 335382893 /nfs/dbraw/zinc/38/28/93/335382893.db2.gz QLGHLZLANMMCSM-UHFFFAOYSA-N 2 1 302.447 3.696 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC(C)C)cc2)CC1 ZINC000106469989 336390087 /nfs/dbraw/zinc/39/00/87/336390087.db2.gz PCAFDCSMNVHVIJ-UHFFFAOYSA-N 2 1 316.489 3.852 20 30 DHEDMP C=CCSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000180455683 337174767 /nfs/dbraw/zinc/17/47/67/337174767.db2.gz XWZVBBPTADJZHH-AWEZNQCLSA-N 2 1 301.459 3.751 20 30 DHEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428477317 338054503 /nfs/dbraw/zinc/05/45/03/338054503.db2.gz ZCUFOUIOWSUUJU-UHFFFAOYSA-N 2 1 317.452 3.641 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428477317 338054504 /nfs/dbraw/zinc/05/45/04/338054504.db2.gz ZCUFOUIOWSUUJU-UHFFFAOYSA-N 2 1 317.452 3.641 20 30 DHEDMP C=CCCC[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075599 340073783 /nfs/dbraw/zinc/07/37/83/340073783.db2.gz KBZFIDCKOCYZJS-QGZVFWFLSA-N 2 1 301.478 3.975 20 30 DHEDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507631460 340226907 /nfs/dbraw/zinc/22/69/07/340226907.db2.gz ZFBLCHMYSLTJOE-KKXNLOMOSA-N 2 1 313.489 3.710 20 30 DHEDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507631460 340226908 /nfs/dbraw/zinc/22/69/08/340226908.db2.gz ZFBLCHMYSLTJOE-KKXNLOMOSA-N 2 1 313.489 3.710 20 30 DHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000248401917 341376622 /nfs/dbraw/zinc/37/66/22/341376622.db2.gz MJHMJZXQVUUCMM-BXWFABGCSA-N 2 1 311.473 3.862 20 30 DHEDMP N#Cc1ccc(C2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167967848 1013341584 /nfs/dbraw/zinc/34/15/84/1013341584.db2.gz JOMSWVOAIHXVBI-IHWFROFDSA-N 2 1 321.468 3.542 20 30 DHEDMP N#Cc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167967848 1013341593 /nfs/dbraw/zinc/34/15/93/1013341593.db2.gz JOMSWVOAIHXVBI-IHWFROFDSA-N 2 1 321.468 3.542 20 30 DHEDMP N#Cc1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167967848 1013341604 /nfs/dbraw/zinc/34/16/04/1013341604.db2.gz JOMSWVOAIHXVBI-IHWFROFDSA-N 2 1 321.468 3.542 20 30 DHEDMP N#CC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000895133849 1014524236 /nfs/dbraw/zinc/52/42/36/1014524236.db2.gz QUPXSJIYGHUDFX-ZCNNSNEGSA-N 2 1 323.484 3.713 20 30 DHEDMP N#CC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000895133849 1014524257 /nfs/dbraw/zinc/52/42/57/1014524257.db2.gz QUPXSJIYGHUDFX-ZCNNSNEGSA-N 2 1 323.484 3.713 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000442721142 1014723668 /nfs/dbraw/zinc/72/36/68/1014723668.db2.gz UUPXUWHDQBHPST-AHRSYUTCSA-N 2 1 311.473 3.700 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000442721150 1014724527 /nfs/dbraw/zinc/72/45/27/1014724527.db2.gz UUPXUWHDQBHPST-UXPWSPDFSA-N 2 1 311.473 3.700 20 30 DHEDMP C=CCOC1CCC([NH2+]CC[NH+](CCCC)CCCC)CC1 ZINC001173312147 1033666578 /nfs/dbraw/zinc/66/65/78/1033666578.db2.gz BABPKSLTUDESHQ-UHFFFAOYSA-N 2 1 310.526 3.992 20 30 DHEDMP C=CCSCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716679418 1032701159 /nfs/dbraw/zinc/70/11/59/1032701159.db2.gz DCNZIKFGUHUWCR-FHWLQOOXSA-N 2 1 316.514 3.548 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246277803 1018441598 /nfs/dbraw/zinc/44/15/98/1018441598.db2.gz ARCSQHHSPYBHFC-MOXGXCLJSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246277803 1018441629 /nfs/dbraw/zinc/44/16/29/1018441629.db2.gz ARCSQHHSPYBHFC-MOXGXCLJSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246277803 1018441639 /nfs/dbraw/zinc/44/16/39/1018441639.db2.gz ARCSQHHSPYBHFC-MOXGXCLJSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246277803 1018441647 /nfs/dbraw/zinc/44/16/47/1018441647.db2.gz ARCSQHHSPYBHFC-MOXGXCLJSA-N 2 1 309.457 3.568 20 30 DHEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261141 1019074994 /nfs/dbraw/zinc/07/49/94/1019074994.db2.gz UVRYOVHXJYYJKM-QGZVFWFLSA-N 2 1 313.489 3.651 20 30 DHEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261141 1019075004 /nfs/dbraw/zinc/07/50/04/1019075004.db2.gz UVRYOVHXJYYJKM-QGZVFWFLSA-N 2 1 313.489 3.651 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000161564774 1019277763 /nfs/dbraw/zinc/27/77/63/1019277763.db2.gz UUGRCMXGWQRFMP-UHFFFAOYSA-N 2 1 310.445 3.754 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000161564774 1019277775 /nfs/dbraw/zinc/27/77/75/1019277775.db2.gz UUGRCMXGWQRFMP-UHFFFAOYSA-N 2 1 310.445 3.754 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390342 1019473861 /nfs/dbraw/zinc/47/38/61/1019473861.db2.gz UCOCKBLTLKZDTG-UZLBHIALSA-N 2 1 311.473 3.790 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390339 1019474724 /nfs/dbraw/zinc/47/47/24/1019474724.db2.gz UCOCKBLTLKZDTG-JXFKEZNVSA-N 2 1 311.473 3.790 20 30 DHEDMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000359865321 1020573369 /nfs/dbraw/zinc/57/33/69/1020573369.db2.gz DJQZDJGYNFSXAC-CQSZACIVSA-N 2 1 314.458 3.604 20 30 DHEDMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000359865321 1020573379 /nfs/dbraw/zinc/57/33/79/1020573379.db2.gz DJQZDJGYNFSXAC-CQSZACIVSA-N 2 1 314.458 3.604 20 30 DHEDMP N#CCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291389745 1020830951 /nfs/dbraw/zinc/83/09/51/1020830951.db2.gz CIZTWLOXXCJNOJ-UHFFFAOYSA-N 2 1 311.473 3.668 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000829180797 1020844456 /nfs/dbraw/zinc/84/44/56/1020844456.db2.gz YBYMHIXUWJUKJY-ZHALLVOQSA-N 2 1 313.489 3.815 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000829180797 1020844463 /nfs/dbraw/zinc/84/44/63/1020844463.db2.gz YBYMHIXUWJUKJY-ZHALLVOQSA-N 2 1 313.489 3.815 20 30 DHEDMP CCCCCCCCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000740878215 1020960882 /nfs/dbraw/zinc/96/08/82/1020960882.db2.gz UORDOZWLMUAGCY-HXUWFJFHSA-N 2 1 323.569 3.839 20 30 DHEDMP C[NH+](CCCC(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174881632 1021007344 /nfs/dbraw/zinc/00/73/44/1021007344.db2.gz DSAOFIGSMSBJIE-IBGZPJMESA-N 2 1 313.489 3.770 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129777969 1021572804 /nfs/dbraw/zinc/57/28/04/1021572804.db2.gz IAUYXXXTGGMTQE-UKRRQHHQSA-N 2 1 304.400 3.738 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118622 1033021936 /nfs/dbraw/zinc/02/19/36/1033021936.db2.gz SLWMGMALWJDEBQ-TVFCKZIOSA-N 2 1 314.473 3.917 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118622 1033021945 /nfs/dbraw/zinc/02/19/45/1033021945.db2.gz SLWMGMALWJDEBQ-TVFCKZIOSA-N 2 1 314.473 3.917 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118621 1033023857 /nfs/dbraw/zinc/02/38/57/1033023857.db2.gz SLWMGMALWJDEBQ-FJIDUMEYSA-N 2 1 314.473 3.917 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118621 1033023873 /nfs/dbraw/zinc/02/38/73/1033023873.db2.gz SLWMGMALWJDEBQ-FJIDUMEYSA-N 2 1 314.473 3.917 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000274855525 1022576020 /nfs/dbraw/zinc/57/60/20/1022576020.db2.gz SBEJQUZHFMXJJY-IEBWSBKVSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000274855525 1022576031 /nfs/dbraw/zinc/57/60/31/1022576031.db2.gz SBEJQUZHFMXJJY-IEBWSBKVSA-N 2 1 313.489 3.817 20 30 DHEDMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000859214095 1033099807 /nfs/dbraw/zinc/09/98/07/1033099807.db2.gz VPXKELQDWOKRLQ-UHFFFAOYSA-N 2 1 307.441 3.560 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000695865960 1023036372 /nfs/dbraw/zinc/03/63/72/1023036372.db2.gz VYGQEWQEKJGIMD-XLIONFOSSA-N 2 1 313.489 3.817 20 30 DHEDMP C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251402 1024033042 /nfs/dbraw/zinc/03/30/42/1024033042.db2.gz BNZHHBMFRMPZHW-UHFFFAOYSA-N 2 1 322.452 3.529 20 30 DHEDMP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000066990808 1024242498 /nfs/dbraw/zinc/24/24/98/1024242498.db2.gz RIQKCBPRXQVDSN-MRXNPFEDSA-N 2 1 322.880 3.725 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453106325 1024332950 /nfs/dbraw/zinc/33/29/50/1024332950.db2.gz IQUXIXKJWDCGKQ-ZCNNSNEGSA-N 2 1 311.473 3.713 20 30 DHEDMP C[C@H](CCCC#N)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172492282 1033223474 /nfs/dbraw/zinc/22/34/74/1033223474.db2.gz LXPOTBNGTZKZHM-NSISKUIASA-N 2 1 324.472 3.713 20 30 DHEDMP C[C@@H](CCCC#N)[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488215 1033221557 /nfs/dbraw/zinc/22/15/57/1033221557.db2.gz RIOFTQPEUZZZBX-SNRMKQJTSA-N 2 1 317.452 3.980 20 30 DHEDMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361852 1024752352 /nfs/dbraw/zinc/75/23/52/1024752352.db2.gz IDYWARFQCIGWTK-UHFFFAOYSA-N 2 1 311.473 3.592 20 30 DHEDMP CCCCCCC[C@H](CCC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172511070 1033237970 /nfs/dbraw/zinc/23/79/70/1033237970.db2.gz MIKDRBVGNZAVIW-IBGZPJMESA-N 2 1 311.558 3.695 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001172509946 1033239002 /nfs/dbraw/zinc/23/90/02/1033239002.db2.gz SUFAQCSEJMWZCW-MRXNPFEDSA-N 2 1 317.452 3.804 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001172509946 1033239005 /nfs/dbraw/zinc/23/90/05/1033239005.db2.gz SUFAQCSEJMWZCW-MRXNPFEDSA-N 2 1 317.452 3.804 20 30 DHEDMP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793543437 1025087539 /nfs/dbraw/zinc/08/75/39/1025087539.db2.gz UENOFVLLVNVUKY-IEBWSBKVSA-N 2 1 308.510 3.744 20 30 DHEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168946 1025791827 /nfs/dbraw/zinc/79/18/27/1025791827.db2.gz KHZFQAXAGGNGLL-SFHVURJKSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168946 1025791844 /nfs/dbraw/zinc/79/18/44/1025791844.db2.gz KHZFQAXAGGNGLL-SFHVURJKSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168946 1025791860 /nfs/dbraw/zinc/79/18/60/1025791860.db2.gz KHZFQAXAGGNGLL-SFHVURJKSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168946 1025791874 /nfs/dbraw/zinc/79/18/74/1025791874.db2.gz KHZFQAXAGGNGLL-SFHVURJKSA-N 2 1 313.489 3.651 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CCC[C@@]2(CCC[N@@H+]([C@@H](C)CCC#N)C2)C1 ZINC000411758790 1029204223 /nfs/dbraw/zinc/20/42/23/1029204223.db2.gz VJNKWVFBVBVHJO-CEXWTWQISA-N 2 1 316.493 3.549 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CCC[C@@]2(CCC[N@H+]([C@@H](C)CCC#N)C2)C1 ZINC000411758790 1029204234 /nfs/dbraw/zinc/20/42/34/1029204234.db2.gz VJNKWVFBVBVHJO-CEXWTWQISA-N 2 1 316.493 3.549 20 30 DHEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)CCC#N)C2)C1 ZINC000411758790 1029204244 /nfs/dbraw/zinc/20/42/44/1029204244.db2.gz VJNKWVFBVBVHJO-CEXWTWQISA-N 2 1 316.493 3.549 20 30 DHEDMP C[C@H](CCC#N)[N@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)CCC#N)C2)C1 ZINC000411758790 1029204252 /nfs/dbraw/zinc/20/42/52/1029204252.db2.gz VJNKWVFBVBVHJO-CEXWTWQISA-N 2 1 316.493 3.549 20 30 DHEDMP C=CCOC1CCC([N@H+](C)CC2CC[NH+](C(C)C)CC2)CC1 ZINC001173320009 1033716831 /nfs/dbraw/zinc/71/68/31/1033716831.db2.gz DRZKEPDZTQBTBE-UHFFFAOYSA-N 2 1 308.510 3.552 20 30 DHEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000160393638 1035181793 /nfs/dbraw/zinc/18/17/93/1035181793.db2.gz XHVOHZBXHFDWQY-UHFFFAOYSA-N 2 1 317.452 3.641 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000160393638 1035181803 /nfs/dbraw/zinc/18/18/03/1035181803.db2.gz XHVOHZBXHFDWQY-UHFFFAOYSA-N 2 1 317.452 3.641 20 30 DHEDMP C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000539837967 1035881540 /nfs/dbraw/zinc/88/15/40/1035881540.db2.gz GFIDHQVTMJAALT-AEFFLSMTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000539837967 1035881568 /nfs/dbraw/zinc/88/15/68/1035881568.db2.gz GFIDHQVTMJAALT-AEFFLSMTSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000539837967 1035881588 /nfs/dbraw/zinc/88/15/88/1035881588.db2.gz GFIDHQVTMJAALT-AEFFLSMTSA-N 2 1 302.462 3.556 20 30 DHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271940593 1036714315 /nfs/dbraw/zinc/71/43/15/1036714315.db2.gz OORKSGDQNQMHOW-JKSUJKDBSA-N 2 1 317.452 3.860 20 30 DHEDMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271969272 1036804932 /nfs/dbraw/zinc/80/49/32/1036804932.db2.gz TZINDVDLFJSEFN-ZDUSSCGKSA-N 2 1 303.425 3.611 20 30 DHEDMP C#C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001198526328 1037048857 /nfs/dbraw/zinc/04/88/57/1037048857.db2.gz QJSXJOWGVYGVIB-QFIPXVFZSA-N 2 1 324.512 3.819 20 30 DHEDMP C#C[C@H]1CCCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001198526328 1037048860 /nfs/dbraw/zinc/04/88/60/1037048860.db2.gz QJSXJOWGVYGVIB-QFIPXVFZSA-N 2 1 324.512 3.819 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183703205 1037702180 /nfs/dbraw/zinc/70/21/80/1037702180.db2.gz BSMYSIKRZFCCNK-UHFFFAOYSA-N 2 1 318.427 3.985 20 30 DHEDMP CCCCCCCCCCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201631271 1037802085 /nfs/dbraw/zinc/80/20/85/1037802085.db2.gz NQHGQCPRMLNVAG-UHFFFAOYSA-N 2 1 311.558 3.696 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606565 1038475851 /nfs/dbraw/zinc/47/58/51/1038475851.db2.gz XUZHRVWZLLCPKV-GDBMZVCRSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606565 1038475856 /nfs/dbraw/zinc/47/58/56/1038475856.db2.gz XUZHRVWZLLCPKV-GDBMZVCRSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606565 1038475861 /nfs/dbraw/zinc/47/58/61/1038475861.db2.gz XUZHRVWZLLCPKV-GDBMZVCRSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606565 1038475866 /nfs/dbraw/zinc/47/58/66/1038475866.db2.gz XUZHRVWZLLCPKV-GDBMZVCRSA-N 2 1 305.491 3.503 20 30 DHEDMP CC1(C)CC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000158450148 1038711777 /nfs/dbraw/zinc/71/17/77/1038711777.db2.gz VSUDSTTYQZPKSV-UHFFFAOYSA-N 2 1 311.473 3.509 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000602665893 1041149862 /nfs/dbraw/zinc/14/98/62/1041149862.db2.gz DLLBEEAFDRREDA-UYAOXDASSA-N 2 1 313.489 3.818 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602692128 1041154232 /nfs/dbraw/zinc/15/42/32/1041154232.db2.gz UJMCYGGMYVRIKX-MJGOQNOKSA-N 2 1 311.473 3.884 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602692128 1041154240 /nfs/dbraw/zinc/15/42/40/1041154240.db2.gz UJMCYGGMYVRIKX-MJGOQNOKSA-N 2 1 311.473 3.884 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602789666 1041208989 /nfs/dbraw/zinc/20/89/89/1041208989.db2.gz YALMDPWPGUZAHN-KRWDZBQOSA-N 2 1 303.494 3.657 20 30 DHEDMP N#CCC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000602797282 1041222524 /nfs/dbraw/zinc/22/25/24/1041222524.db2.gz IQJNEKMJKMXXNC-UHFFFAOYSA-N 2 1 323.484 3.668 20 30 DHEDMP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000602950247 1041322504 /nfs/dbraw/zinc/32/25/04/1041322504.db2.gz LZNZKKRFRCKZDM-UHFFFAOYSA-N 2 1 311.473 3.593 20 30 DHEDMP CC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000340592540 132046152 /nfs/dbraw/zinc/04/61/52/132046152.db2.gz AEEYQNQMYLHAHL-UHFFFAOYSA-N 2 1 307.441 3.642 20 30 DHEDMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 ZINC000518532812 332074896 /nfs/dbraw/zinc/07/48/96/332074896.db2.gz DCSCVCTWPNNHOA-RTWAWAEBSA-N 2 1 319.452 3.678 20 30 DHEDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 ZINC000518532812 332074897 /nfs/dbraw/zinc/07/48/97/332074897.db2.gz DCSCVCTWPNNHOA-RTWAWAEBSA-N 2 1 319.452 3.678 20 30 DHEDMP C=C(C)COCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000560545362 332356695 /nfs/dbraw/zinc/35/66/95/332356695.db2.gz LIDHQTOJXUJBBF-UHFFFAOYSA-N 2 1 316.489 3.612 20 30 DHEDMP Cc1c[nH+]ccc1OC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000289396478 334164802 /nfs/dbraw/zinc/16/48/02/334164802.db2.gz NGNAUCXCIUWCEP-UHFFFAOYSA-N 2 1 315.461 3.953 20 30 DHEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000292829373 334192942 /nfs/dbraw/zinc/19/29/42/334192942.db2.gz OPUDVVJJCZNXSH-MXEMCNAFSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000292829373 334192943 /nfs/dbraw/zinc/19/29/43/334192943.db2.gz OPUDVVJJCZNXSH-MXEMCNAFSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000292829373 334192945 /nfs/dbraw/zinc/19/29/45/334192945.db2.gz OPUDVVJJCZNXSH-MXEMCNAFSA-N 2 1 323.484 3.665 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000294955450 334214778 /nfs/dbraw/zinc/21/47/78/334214778.db2.gz DLPCKWGKPXSEKR-JOZSIVFUSA-N 2 1 323.484 3.569 20 30 DHEDMP C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCC[NH+](CCC(C)(C)C#N)CC1 ZINC000345731726 335346433 /nfs/dbraw/zinc/34/64/33/335346433.db2.gz TVOXGBYTHQNJOY-QGZVFWFLSA-N 2 1 318.509 3.652 20 30 DHEDMP C[NH+](CCC(C)(C)C#N)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000345731726 335346434 /nfs/dbraw/zinc/34/64/34/335346434.db2.gz TVOXGBYTHQNJOY-QGZVFWFLSA-N 2 1 318.509 3.652 20 30 DHEDMP C[NH+](CCC(C)(C)C#N)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000345731726 335346436 /nfs/dbraw/zinc/34/64/36/335346436.db2.gz TVOXGBYTHQNJOY-QGZVFWFLSA-N 2 1 318.509 3.652 20 30 DHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000532621484 336257067 /nfs/dbraw/zinc/25/70/67/336257067.db2.gz WISVPVANWULLPQ-UHFFFAOYSA-N 2 1 318.892 3.744 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000106245104 336389097 /nfs/dbraw/zinc/38/90/97/336389097.db2.gz HYCOCSBTBBJWPW-UHFFFAOYSA-N 2 1 314.473 3.530 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000106245756 336389175 /nfs/dbraw/zinc/38/91/75/336389175.db2.gz RWLXPIVWYYKVQB-UHFFFAOYSA-N 2 1 312.379 3.836 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248926561 337568735 /nfs/dbraw/zinc/56/87/35/337568735.db2.gz XHJOHBBVMZTCHZ-LESCRADOSA-N 2 1 308.429 3.914 20 30 DHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000510957518 340316230 /nfs/dbraw/zinc/31/62/30/340316230.db2.gz GYYMAXLGFHQALH-QYZOEREBSA-N 2 1 311.473 3.569 20 30 DHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000510957518 340316231 /nfs/dbraw/zinc/31/62/31/340316231.db2.gz GYYMAXLGFHQALH-QYZOEREBSA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000538394433 340820664 /nfs/dbraw/zinc/82/06/64/340820664.db2.gz ZXCSXMVVFHNUQV-ROUUACIJSA-N 2 1 308.510 3.600 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000540594728 340937334 /nfs/dbraw/zinc/93/73/34/340937334.db2.gz ZFMPMVGQWZLPPG-RBUKOAKNSA-N 2 1 320.521 3.744 20 30 DHEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001279144818 1016847398 /nfs/dbraw/zinc/84/73/98/1016847398.db2.gz APNBEYQGEOKQJD-UHFFFAOYSA-N 2 1 323.484 3.789 20 30 DHEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127266 1018443022 /nfs/dbraw/zinc/44/30/22/1018443022.db2.gz DOWUQBKQHPFVLP-ROUUACIJSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127266 1018443037 /nfs/dbraw/zinc/44/30/37/1018443037.db2.gz DOWUQBKQHPFVLP-ROUUACIJSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127266 1018443041 /nfs/dbraw/zinc/44/30/41/1018443041.db2.gz DOWUQBKQHPFVLP-ROUUACIJSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127266 1018443045 /nfs/dbraw/zinc/44/30/45/1018443045.db2.gz DOWUQBKQHPFVLP-ROUUACIJSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127262 1018444421 /nfs/dbraw/zinc/44/44/21/1018444421.db2.gz DOWUQBKQHPFVLP-MSOLQXFVSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766127262 1018444432 /nfs/dbraw/zinc/44/44/32/1018444432.db2.gz DOWUQBKQHPFVLP-MSOLQXFVSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766127262 1018444437 /nfs/dbraw/zinc/44/44/37/1018444437.db2.gz DOWUQBKQHPFVLP-MSOLQXFVSA-N 2 1 304.865 3.725 20 30 DHEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127262 1018444440 /nfs/dbraw/zinc/44/44/40/1018444440.db2.gz DOWUQBKQHPFVLP-MSOLQXFVSA-N 2 1 304.865 3.725 20 30 DHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000131780415 1018761297 /nfs/dbraw/zinc/76/12/97/1018761297.db2.gz ROXBJPRQNQBNJS-HKUYNNGSSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000131780415 1018761312 /nfs/dbraw/zinc/76/13/12/1018761312.db2.gz ROXBJPRQNQBNJS-HKUYNNGSSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H]1C[C@@H]([N@H+](C)CCC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000131780415 1018761324 /nfs/dbraw/zinc/76/13/24/1018761324.db2.gz ROXBJPRQNQBNJS-HKUYNNGSSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000131780415 1018761339 /nfs/dbraw/zinc/76/13/39/1018761339.db2.gz ROXBJPRQNQBNJS-HKUYNNGSSA-N 2 1 313.489 3.911 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000159323907 1019042201 /nfs/dbraw/zinc/04/22/01/1019042201.db2.gz FQXXBPORKJWLSE-HNNXBMFYSA-N 2 1 322.880 3.953 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249397 1019075290 /nfs/dbraw/zinc/07/52/90/1019075290.db2.gz IDUNOFBHQLAASM-APWZRJJASA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249397 1019075304 /nfs/dbraw/zinc/07/53/04/1019075304.db2.gz IDUNOFBHQLAASM-APWZRJJASA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249397 1019075315 /nfs/dbraw/zinc/07/53/15/1019075315.db2.gz IDUNOFBHQLAASM-APWZRJJASA-N 2 1 313.489 3.650 20 30 DHEDMP CCCCCCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000740876568 1020958684 /nfs/dbraw/zinc/95/86/84/1020958684.db2.gz UIBFQDQFSOXUFG-BGYRXZFFSA-N 2 1 323.569 3.837 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414175305 1020962815 /nfs/dbraw/zinc/96/28/15/1020962815.db2.gz YZMCZMQGDOZUDM-LDLYASANSA-N 2 1 311.473 3.711 20 30 DHEDMP C#C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172084379 1032982967 /nfs/dbraw/zinc/98/29/67/1032982967.db2.gz WWLYMGHWJLMPKR-VXSCBNMQSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172084379 1032982976 /nfs/dbraw/zinc/98/29/76/1032982976.db2.gz WWLYMGHWJLMPKR-VXSCBNMQSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172084379 1032982987 /nfs/dbraw/zinc/98/29/87/1032982987.db2.gz WWLYMGHWJLMPKR-VXSCBNMQSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172084379 1032982996 /nfs/dbraw/zinc/98/29/96/1032982996.db2.gz WWLYMGHWJLMPKR-VXSCBNMQSA-N 2 1 322.496 3.917 20 30 DHEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563624 1021627425 /nfs/dbraw/zinc/62/74/25/1021627425.db2.gz HOTXZBTXBACOKN-IBGZPJMESA-N 2 1 314.473 3.702 20 30 DHEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563624 1021627433 /nfs/dbraw/zinc/62/74/33/1021627433.db2.gz HOTXZBTXBACOKN-IBGZPJMESA-N 2 1 314.473 3.702 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153658213 1022234155 /nfs/dbraw/zinc/23/41/55/1022234155.db2.gz IWSXGYFQPQWSPY-CQSZACIVSA-N 2 1 306.425 3.525 20 30 DHEDMP C#C[C@@](C)(CC)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001169697409 1022505500 /nfs/dbraw/zinc/50/55/00/1022505500.db2.gz LDIYPHOEGXCCPG-LPHOPBHVSA-N 2 1 310.445 3.565 20 30 DHEDMP C=C(C)C[N@H+](CC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000159002492 1022682107 /nfs/dbraw/zinc/68/21/07/1022682107.db2.gz PSQYEPVWZKIZBR-UHFFFAOYSA-N 2 1 315.505 3.615 20 30 DHEDMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)[nH+]c1 ZINC000181804699 1023733671 /nfs/dbraw/zinc/73/36/71/1023733671.db2.gz GUMQYJRAFYKYPF-MRXNPFEDSA-N 2 1 320.440 3.581 20 30 DHEDMP C[C@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121532 1024179900 /nfs/dbraw/zinc/17/99/00/1024179900.db2.gz MWXFNPDDBDLARJ-KNTRFNDTSA-N 2 1 311.473 3.819 20 30 DHEDMP C=CCC[C@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883227479 1024303040 /nfs/dbraw/zinc/30/30/40/1024303040.db2.gz RMOXADFXRWDMIR-MVCQKVDPSA-N 2 1 314.473 3.615 20 30 DHEDMP C[NH+]1CCC(N(Cc2ccccc2)Cc2cccc(C#N)c2)CC1 ZINC000270645315 1024411611 /nfs/dbraw/zinc/41/16/11/1024411611.db2.gz KNTUUVJRPRUWMB-UHFFFAOYSA-N 2 1 319.452 3.655 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001172494330 1033224963 /nfs/dbraw/zinc/22/49/63/1033224963.db2.gz YYEMLBHHAHDFNM-AWEZNQCLSA-N 2 1 305.853 3.672 20 30 DHEDMP C[C@@H](CCCC#N)[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172490844 1033223855 /nfs/dbraw/zinc/22/38/55/1033223855.db2.gz AZDUCDRQFBJZIL-SNRMKQJTSA-N 2 1 317.452 3.980 20 30 DHEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172499492 1033229705 /nfs/dbraw/zinc/22/97/05/1033229705.db2.gz DNZOZUKKUBLEMN-ICSRJNTNSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172499492 1033229714 /nfs/dbraw/zinc/22/97/14/1033229714.db2.gz DNZOZUKKUBLEMN-ICSRJNTNSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172499492 1033229724 /nfs/dbraw/zinc/22/97/24/1033229724.db2.gz DNZOZUKKUBLEMN-ICSRJNTNSA-N 2 1 311.473 3.667 20 30 DHEDMP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000353681683 1025196580 /nfs/dbraw/zinc/19/65/80/1025196580.db2.gz WTGWCYHZGGACMH-UQASEVPWSA-N 2 1 323.484 3.788 20 30 DHEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261823 1033269942 /nfs/dbraw/zinc/26/99/42/1033269942.db2.gz FXVCIUPBHUIUCK-QGZVFWFLSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261823 1033269954 /nfs/dbraw/zinc/26/99/54/1033269954.db2.gz FXVCIUPBHUIUCK-QGZVFWFLSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261823 1033269961 /nfs/dbraw/zinc/26/99/61/1033269961.db2.gz FXVCIUPBHUIUCK-QGZVFWFLSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261823 1033269970 /nfs/dbraw/zinc/26/99/70/1033269970.db2.gz FXVCIUPBHUIUCK-QGZVFWFLSA-N 2 1 313.489 3.651 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886650374 1025763286 /nfs/dbraw/zinc/76/32/86/1025763286.db2.gz VHMQERGFQNNYAW-YOESJJQFSA-N 2 1 322.496 3.821 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175413 1025808576 /nfs/dbraw/zinc/80/85/76/1025808576.db2.gz MFAPOHDVWMMXBA-VQIMIIECSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175413 1025808600 /nfs/dbraw/zinc/80/86/00/1025808600.db2.gz MFAPOHDVWMMXBA-VQIMIIECSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175413 1025808623 /nfs/dbraw/zinc/80/86/23/1025808623.db2.gz MFAPOHDVWMMXBA-VQIMIIECSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175410 1025809677 /nfs/dbraw/zinc/80/96/77/1025809677.db2.gz MFAPOHDVWMMXBA-APWZRJJASA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175410 1025809701 /nfs/dbraw/zinc/80/97/01/1025809701.db2.gz MFAPOHDVWMMXBA-APWZRJJASA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175410 1025809729 /nfs/dbraw/zinc/80/97/29/1025809729.db2.gz MFAPOHDVWMMXBA-APWZRJJASA-N 2 1 313.489 3.650 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093844536 1026129792 /nfs/dbraw/zinc/12/97/92/1026129792.db2.gz CCIXYWNCOWRNJC-MRXNPFEDSA-N 2 1 315.461 3.628 20 30 DHEDMP CCCC[N@@H+](C)C[C@H](C)/[NH+]=C/c1ccc(N(CC)CC)cc1O ZINC000809144002 1026461478 /nfs/dbraw/zinc/46/14/78/1026461478.db2.gz ACDFVBBHMGAKHZ-RZKQZQCBSA-N 2 1 319.493 3.778 20 30 DHEDMP C#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000809556254 1026558916 /nfs/dbraw/zinc/55/89/16/1026558916.db2.gz KAHSPZNKLJYPOL-NRFANRHFSA-N 2 1 310.485 3.612 20 30 DHEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000809556254 1026558920 /nfs/dbraw/zinc/55/89/20/1026558920.db2.gz KAHSPZNKLJYPOL-NRFANRHFSA-N 2 1 310.485 3.612 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809610792 1026562539 /nfs/dbraw/zinc/56/25/39/1026562539.db2.gz DYESSMCUBAUSEY-QFIPXVFZSA-N 2 1 318.464 3.670 20 30 DHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421336940 1026961283 /nfs/dbraw/zinc/96/12/83/1026961283.db2.gz XPORJNZVWGBHNH-IYBDPMFKSA-N 2 1 317.452 3.545 20 30 DHEDMP C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000368649701 1028387314 /nfs/dbraw/zinc/38/73/14/1028387314.db2.gz HYOFVDQLPHHATE-MDNKFWRPSA-N 2 1 311.473 3.569 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000374018902 1029188170 /nfs/dbraw/zinc/18/81/70/1029188170.db2.gz QAMFEMIYOPYMCB-SLFFLAALSA-N 2 1 323.484 3.571 20 30 DHEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817919972 1029277284 /nfs/dbraw/zinc/27/72/84/1029277284.db2.gz XSLLTOFDLQMWQI-UIAACRFSSA-N 2 1 321.424 3.602 20 30 DHEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCCC(C)(C)C#N)CC2)C1CC1 ZINC000374309438 1029283679 /nfs/dbraw/zinc/28/36/79/1029283679.db2.gz JFJZNLHGLOALLR-INIZCTEOSA-N 2 1 303.494 3.513 20 30 DHEDMP CCCCCCCC[C@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246149145 1029895205 /nfs/dbraw/zinc/89/52/05/1029895205.db2.gz ABRLFAJYLSWXPI-IRXDYDNUSA-N 2 1 314.514 3.776 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358453525 1030494921 /nfs/dbraw/zinc/49/49/21/1030494921.db2.gz QKTWMASMOJBWBW-AEFFLSMTSA-N 2 1 304.503 3.548 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358453525 1030494931 /nfs/dbraw/zinc/49/49/31/1030494931.db2.gz QKTWMASMOJBWBW-AEFFLSMTSA-N 2 1 304.503 3.548 20 30 DHEDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cccs1 ZINC000248750891 1030762828 /nfs/dbraw/zinc/76/28/28/1030762828.db2.gz BVLIUEBBWDVHHY-YFHUEUNASA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cccs1 ZINC000248750891 1030762849 /nfs/dbraw/zinc/76/28/49/1030762849.db2.gz BVLIUEBBWDVHHY-YFHUEUNASA-N 2 1 317.502 3.803 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000248918154 1030775957 /nfs/dbraw/zinc/77/59/57/1030775957.db2.gz WITMSFHWGMOWOB-RSPOEFSDSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000248918154 1030775979 /nfs/dbraw/zinc/77/59/79/1030775979.db2.gz WITMSFHWGMOWOB-RSPOEFSDSA-N 2 1 311.473 3.711 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872139998 1031533931 /nfs/dbraw/zinc/53/39/31/1031533931.db2.gz VAVCAWGFYCUIAS-RMVXJAJNSA-N 2 1 310.485 3.679 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000482158634 1035061755 /nfs/dbraw/zinc/06/17/55/1035061755.db2.gz TVTORKDGFCOOBR-LPHOPBHVSA-N 2 1 317.452 3.688 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000482630023 1035150014 /nfs/dbraw/zinc/15/00/14/1035150014.db2.gz MFAWXSHARXQVAG-OAQYLSRUSA-N 2 1 312.501 3.946 20 30 DHEDMP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236930 1036530631 /nfs/dbraw/zinc/53/06/31/1036530631.db2.gz VRRAOXBYALIKFR-UTKZUKDTSA-N 2 1 319.452 3.558 20 30 DHEDMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000488275944 1036943818 /nfs/dbraw/zinc/94/38/18/1036943818.db2.gz CFGYTWCTMMQECB-APWZRJJASA-N 2 1 311.473 3.609 20 30 DHEDMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000488275946 1036944034 /nfs/dbraw/zinc/94/40/34/1036944034.db2.gz CFGYTWCTMMQECB-QFBILLFUSA-N 2 1 311.473 3.609 20 30 DHEDMP CCCCCCC[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001201762365 1037883255 /nfs/dbraw/zinc/88/32/55/1037883255.db2.gz HPQKOALOLCATLB-IBGZPJMESA-N 2 1 310.526 3.780 20 30 DHEDMP CCCCCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201762365 1037883270 /nfs/dbraw/zinc/88/32/70/1037883270.db2.gz HPQKOALOLCATLB-IBGZPJMESA-N 2 1 310.526 3.780 20 30 DHEDMP CCCCCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201762365 1037883284 /nfs/dbraw/zinc/88/32/84/1037883284.db2.gz HPQKOALOLCATLB-IBGZPJMESA-N 2 1 310.526 3.780 20 30 DHEDMP CCCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201762365 1037883304 /nfs/dbraw/zinc/88/33/04/1037883304.db2.gz HPQKOALOLCATLB-IBGZPJMESA-N 2 1 310.526 3.780 20 30 DHEDMP CCCCCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201762365 1037883322 /nfs/dbraw/zinc/88/33/22/1037883322.db2.gz HPQKOALOLCATLB-IBGZPJMESA-N 2 1 310.526 3.780 20 30 DHEDMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000591571024 1038936788 /nfs/dbraw/zinc/93/67/88/1038936788.db2.gz WGUBYYWATICDBN-BEVDRBHNSA-N 2 1 305.425 3.702 20 30 DHEDMP CC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662104 1039249830 /nfs/dbraw/zinc/24/98/30/1039249830.db2.gz YTQVUUGHHKBMSP-UHFFFAOYSA-N 2 1 321.468 3.684 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158261672 1040184727 /nfs/dbraw/zinc/18/47/27/1040184727.db2.gz BUBUESLLAFXUQC-JKSUJKDBSA-N 2 1 322.880 3.810 20 30 DHEDMP CC[N@@H+](C[C@@H](C)CCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602479956 1041051836 /nfs/dbraw/zinc/05/18/36/1041051836.db2.gz CNWUGSXJWYOAQT-ICSRJNTNSA-N 2 1 313.489 3.770 20 30 DHEDMP CC[NH+](C[C@@H](C)CCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602479956 1041051848 /nfs/dbraw/zinc/05/18/48/1041051848.db2.gz CNWUGSXJWYOAQT-ICSRJNTNSA-N 2 1 313.489 3.770 20 30 DHEDMP CC[NH+](C[C@@H](C)CCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602479956 1041051860 /nfs/dbraw/zinc/05/18/60/1041051860.db2.gz CNWUGSXJWYOAQT-ICSRJNTNSA-N 2 1 313.489 3.770 20 30 DHEDMP CC[N@@H+](C[C@@H](C)CCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602479955 1041052958 /nfs/dbraw/zinc/05/29/58/1041052958.db2.gz CNWUGSXJWYOAQT-AZUAARDMSA-N 2 1 313.489 3.770 20 30 DHEDMP CC[NH+](C[C@@H](C)CCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602479955 1041052973 /nfs/dbraw/zinc/05/29/73/1041052973.db2.gz CNWUGSXJWYOAQT-AZUAARDMSA-N 2 1 313.489 3.770 20 30 DHEDMP CC[NH+](C[C@@H](C)CCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602479955 1041052989 /nfs/dbraw/zinc/05/29/89/1041052989.db2.gz CNWUGSXJWYOAQT-AZUAARDMSA-N 2 1 313.489 3.770 20 30 DHEDMP C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602590061 1041106364 /nfs/dbraw/zinc/10/63/64/1041106364.db2.gz VSSVELDIJXUAGL-BXXUTWAOSA-N 2 1 311.473 3.569 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602695526 1041157751 /nfs/dbraw/zinc/15/77/51/1041157751.db2.gz UZRYHTBWPUXLGV-HGKSCXNLSA-N 2 1 309.457 3.636 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602695526 1041157755 /nfs/dbraw/zinc/15/77/55/1041157755.db2.gz UZRYHTBWPUXLGV-HGKSCXNLSA-N 2 1 309.457 3.636 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc3c(c2)CCO3)CC1 ZINC000152975405 332332888 /nfs/dbraw/zinc/33/28/88/332332888.db2.gz GASXJWOEBJYDOW-IBGZPJMESA-N 2 1 314.473 3.703 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000152998135 332338882 /nfs/dbraw/zinc/33/88/82/332338882.db2.gz JOJJNLOPTWTLAD-IBGZPJMESA-N 2 1 314.473 3.839 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000153014902 332340033 /nfs/dbraw/zinc/34/00/33/332340033.db2.gz YAMUWCLVNJMQOT-QGZVFWFLSA-N 2 1 324.472 3.563 20 30 DHEDMP C=CCC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000560526971 332351458 /nfs/dbraw/zinc/35/14/58/332351458.db2.gz JPXQGRRXIHRPNU-KSZLIROESA-N 2 1 320.477 3.766 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309672971 333187075 /nfs/dbraw/zinc/18/70/75/333187075.db2.gz UOZPWFVKVOSDCC-LJQANCHMSA-N 2 1 313.489 3.818 20 30 DHEDMP C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278797513 334101251 /nfs/dbraw/zinc/10/12/51/334101251.db2.gz QXPDQFVDIWSTKJ-MTFMMBMASA-N 2 1 311.473 3.569 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000296373613 334233163 /nfs/dbraw/zinc/23/31/63/334233163.db2.gz JHSJNEURTCZAPX-BWUHRYBWSA-N 2 1 323.484 3.854 20 30 DHEDMP C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000298704515 334250695 /nfs/dbraw/zinc/25/06/95/334250695.db2.gz TXJFEPRZEYCVET-MISYRCLQSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000298704515 334250696 /nfs/dbraw/zinc/25/06/96/334250696.db2.gz TXJFEPRZEYCVET-MISYRCLQSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000298704515 334250697 /nfs/dbraw/zinc/25/06/97/334250697.db2.gz TXJFEPRZEYCVET-MISYRCLQSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000298704515 334250698 /nfs/dbraw/zinc/25/06/98/334250698.db2.gz TXJFEPRZEYCVET-MISYRCLQSA-N 2 1 311.473 3.665 20 30 DHEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360656756 336717830 /nfs/dbraw/zinc/71/78/30/336717830.db2.gz KGXWGTVCDWXZLR-FOIQADDNSA-N 2 1 322.456 3.757 20 30 DHEDMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000179241000 337168336 /nfs/dbraw/zinc/16/83/36/337168336.db2.gz YNELECKMTFVEQZ-INIZCTEOSA-N 2 1 310.445 3.927 20 30 DHEDMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000179241000 337168337 /nfs/dbraw/zinc/16/83/37/337168337.db2.gz YNELECKMTFVEQZ-INIZCTEOSA-N 2 1 310.445 3.927 20 30 DHEDMP C[C@@H](NCc1cc(C#N)ccc1F)c1cccc(-n2ccnc2)c1 ZINC000180648607 337176938 /nfs/dbraw/zinc/17/69/38/337176938.db2.gz VDZDAUZYFXUYIJ-CQSZACIVSA-N 2 1 320.371 3.734 20 30 DHEDMP C[C@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000120175290 337395549 /nfs/dbraw/zinc/39/55/49/337395549.db2.gz TTYWVTJPYSXOLS-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463252484 339112257 /nfs/dbraw/zinc/11/22/57/339112257.db2.gz NUFVBKUIFOPFMY-GOSISDBHSA-N 2 1 304.453 3.777 20 30 DHEDMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512667903 340372068 /nfs/dbraw/zinc/37/20/68/340372068.db2.gz RUWOZVFDSFEMBP-CXAGYDPISA-N 2 1 305.441 3.714 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000249293967 341396115 /nfs/dbraw/zinc/39/61/15/341396115.db2.gz BONGQGORFJXYQB-DLBZAZTESA-N 2 1 315.461 3.504 20 30 DHEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010181 521849881 /nfs/dbraw/zinc/84/98/81/521849881.db2.gz HFAFPBDOOBZKLU-SFHVURJKSA-N 2 1 319.452 3.609 20 30 DHEDMP C[C@@H](CC[NH2+]Cc1cc(C#N)cs1)[N@H+](C)Cc1ccccc1 ZINC000177708710 1014020704 /nfs/dbraw/zinc/02/07/04/1014020704.db2.gz GWDQWIUWVZGTCI-HNNXBMFYSA-N 2 1 313.470 3.620 20 30 DHEDMP C[C@@H](CC[NH2+]Cc1cc(C#N)cs1)[N@@H+](C)Cc1ccccc1 ZINC000177708710 1014020710 /nfs/dbraw/zinc/02/07/10/1014020710.db2.gz GWDQWIUWVZGTCI-HNNXBMFYSA-N 2 1 313.470 3.620 20 30 DHEDMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000442833939 1014748123 /nfs/dbraw/zinc/74/81/23/1014748123.db2.gz VTOTZBGGHWJNHD-LMCOJAPRSA-N 2 1 311.473 3.569 20 30 DHEDMP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc1C#N ZINC000443979959 1016557998 /nfs/dbraw/zinc/55/79/98/1016557998.db2.gz LMPQUUHBDLHVBF-UHFFFAOYSA-N 2 1 311.473 3.611 20 30 DHEDMP C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444674382 1017624470 /nfs/dbraw/zinc/62/44/70/1017624470.db2.gz PBZOBQYMTQEOAO-SJORKVTESA-N 2 1 305.510 3.949 20 30 DHEDMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000765013348 1018448417 /nfs/dbraw/zinc/44/84/17/1018448417.db2.gz HBGKHXYYRPIWKM-UZLBHIALSA-N 2 1 311.473 3.691 20 30 DHEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000825762375 1032784608 /nfs/dbraw/zinc/78/46/08/1032784608.db2.gz KKSASAALLIROFF-UHFFFAOYSA-N 2 1 323.484 3.550 20 30 DHEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348025648 1020480358 /nfs/dbraw/zinc/48/03/58/1020480358.db2.gz COICNKVBNKAGJD-QUCCMNQESA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348025648 1020480364 /nfs/dbraw/zinc/48/03/64/1020480364.db2.gz COICNKVBNKAGJD-QUCCMNQESA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000348025648 1020480368 /nfs/dbraw/zinc/48/03/68/1020480368.db2.gz COICNKVBNKAGJD-QUCCMNQESA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000348025648 1020480372 /nfs/dbraw/zinc/48/03/72/1020480372.db2.gz COICNKVBNKAGJD-QUCCMNQESA-N 2 1 316.489 3.564 20 30 DHEDMP C[N@H+](CCCC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000174861995 1021005928 /nfs/dbraw/zinc/00/59/28/1021005928.db2.gz ODBBUVBTPAVOQZ-UHFFFAOYSA-N 2 1 313.489 3.913 20 30 DHEDMP C[N@@H+](CCCC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000174861995 1021005935 /nfs/dbraw/zinc/00/59/35/1021005935.db2.gz ODBBUVBTPAVOQZ-UHFFFAOYSA-N 2 1 313.489 3.913 20 30 DHEDMP C#C[C@](C)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069239 1032994301 /nfs/dbraw/zinc/99/43/01/1032994301.db2.gz HPNOUIZENAZIGT-PLACYPQZSA-N 2 1 310.485 3.964 20 30 DHEDMP C#C[C@](C)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069239 1032994309 /nfs/dbraw/zinc/99/43/09/1032994309.db2.gz HPNOUIZENAZIGT-PLACYPQZSA-N 2 1 310.485 3.964 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000153027019 1021929093 /nfs/dbraw/zinc/92/90/93/1021929093.db2.gz WHMYALVTSCZPLO-IBGZPJMESA-N 2 1 316.514 3.647 20 30 DHEDMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312365 1033077935 /nfs/dbraw/zinc/07/79/35/1033077935.db2.gz GHEVGXWVTQDWBW-KRWDZBQOSA-N 2 1 313.489 3.686 20 30 DHEDMP C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121544 1024180315 /nfs/dbraw/zinc/18/03/15/1024180315.db2.gz NDOBCDZMEWTWDI-MVJPYGJCSA-N 2 1 311.473 3.819 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001172486901 1033197932 /nfs/dbraw/zinc/19/79/32/1033197932.db2.gz IJGOTSZFGKWIJW-MJGOQNOKSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001172486901 1033197934 /nfs/dbraw/zinc/19/79/34/1033197934.db2.gz IJGOTSZFGKWIJW-MJGOQNOKSA-N 2 1 313.489 3.959 20 30 DHEDMP Cc1[nH]c(C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)[nH+]c1C ZINC000886663013 1025770182 /nfs/dbraw/zinc/77/01/82/1025770182.db2.gz RETIPDFHGSKVIN-OAHLLOKOSA-N 2 1 308.429 3.839 20 30 DHEDMP C[C@H](CCC#N)N1CCCC2(CCC[N@H+]([C@H](C)CCC#N)C2)C1 ZINC000411758793 1026093321 /nfs/dbraw/zinc/09/33/21/1026093321.db2.gz VJNKWVFBVBVHJO-PWCSWUJKSA-N 2 1 316.493 3.549 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CCCC2(CCC[N@@H+]([C@H](C)CCC#N)C2)C1 ZINC000411758793 1026093339 /nfs/dbraw/zinc/09/33/39/1026093339.db2.gz VJNKWVFBVBVHJO-PWCSWUJKSA-N 2 1 316.493 3.549 20 30 DHEDMP C[C@H](CCC#N)[NH+]1CCCC2(CCC[N@H+]([C@H](C)CCC#N)C2)C1 ZINC000411758793 1026093356 /nfs/dbraw/zinc/09/33/56/1026093356.db2.gz VJNKWVFBVBVHJO-PWCSWUJKSA-N 2 1 316.493 3.549 20 30 DHEDMP N#CCC[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000576149346 1027571968 /nfs/dbraw/zinc/57/19/68/1027571968.db2.gz UIQCEDPETHDMGF-UHFFFAOYSA-N 2 1 319.452 3.953 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)CC(C)C ZINC000562763710 1027595532 /nfs/dbraw/zinc/59/55/32/1027595532.db2.gz OKPSUXQIIMXROQ-RBUKOAKNSA-N 2 1 305.510 3.759 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368021327 1028280710 /nfs/dbraw/zinc/28/07/10/1028280710.db2.gz YQHHYVNOUDLJDA-UHFFFAOYSA-N 2 1 320.427 3.841 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000565766901 1028632331 /nfs/dbraw/zinc/63/23/31/1028632331.db2.gz CLTBYHUYJCXPGQ-UHFFFAOYSA-N 2 1 310.844 3.652 20 30 DHEDMP C=CCC[C@@H](CC)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370662618 1028632395 /nfs/dbraw/zinc/63/23/95/1028632395.db2.gz MYPUUYGYSINDMU-LJQANCHMSA-N 3 1 321.553 3.517 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CC(C)(C)C#N)cc1F ZINC000924774906 1030184230 /nfs/dbraw/zinc/18/42/30/1030184230.db2.gz FKRDXEQWRVLSKT-CYBMUJFWSA-N 2 1 314.408 3.738 20 30 DHEDMP N#CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924942703 1030232245 /nfs/dbraw/zinc/23/22/45/1030232245.db2.gz PTMJWCHESGVYMU-IHWFROFDSA-N 2 1 311.473 3.856 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000248918152 1030777940 /nfs/dbraw/zinc/77/79/40/1030777940.db2.gz WITMSFHWGMOWOB-BTHPGYMESA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000248918152 1030777963 /nfs/dbraw/zinc/77/79/63/1030777963.db2.gz WITMSFHWGMOWOB-BTHPGYMESA-N 2 1 311.473 3.711 20 30 DHEDMP N#Cc1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000929274781 1031480988 /nfs/dbraw/zinc/48/09/88/1031480988.db2.gz ACGSRCIVIHKJMM-UHFFFAOYSA-N 2 1 317.864 3.519 20 30 DHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929507466 1031535548 /nfs/dbraw/zinc/53/55/48/1031535548.db2.gz XDUZDMYUNFMOGC-UHFFFAOYSA-N 2 1 305.510 3.903 20 30 DHEDMP C[N@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790285 1031564425 /nfs/dbraw/zinc/56/44/25/1031564425.db2.gz DJWHGYRADHKFPC-QYZOEREBSA-N 2 1 311.473 3.551 20 30 DHEDMP C[NH+]1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790285 1031564431 /nfs/dbraw/zinc/56/44/31/1031564431.db2.gz DJWHGYRADHKFPC-QYZOEREBSA-N 2 1 311.473 3.551 20 30 DHEDMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790285 1031564434 /nfs/dbraw/zinc/56/44/34/1031564434.db2.gz DJWHGYRADHKFPC-QYZOEREBSA-N 2 1 311.473 3.551 20 30 DHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360828762 1031577635 /nfs/dbraw/zinc/57/76/35/1031577635.db2.gz AHSDZUYCNOEMOR-GGPKGHCWSA-N 2 1 309.457 3.542 20 30 DHEDMP N#CC1(CCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000930060777 1031687482 /nfs/dbraw/zinc/68/74/82/1031687482.db2.gz LQJIPGVZZRCYHJ-HKUYNNGSSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CC1(CCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000930060777 1031687490 /nfs/dbraw/zinc/68/74/90/1031687490.db2.gz LQJIPGVZZRCYHJ-HKUYNNGSSA-N 2 1 315.505 3.799 20 30 DHEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCC(CC#N)CC1 ZINC001173337525 1033695136 /nfs/dbraw/zinc/69/51/36/1033695136.db2.gz NERHQOIZUFMIQK-WZOJCFFYSA-N 2 1 303.494 3.798 20 30 DHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337525 1033695143 /nfs/dbraw/zinc/69/51/43/1033695143.db2.gz NERHQOIZUFMIQK-WZOJCFFYSA-N 2 1 303.494 3.798 20 30 DHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173337525 1033695148 /nfs/dbraw/zinc/69/51/48/1033695148.db2.gz NERHQOIZUFMIQK-WZOJCFFYSA-N 2 1 303.494 3.798 20 30 DHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271940589 1036714883 /nfs/dbraw/zinc/71/48/83/1036714883.db2.gz OORKSGDQNQMHOW-HOTGVXAUSA-N 2 1 317.452 3.860 20 30 DHEDMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)ccc1C#N ZINC000443986627 1036977057 /nfs/dbraw/zinc/97/70/57/1036977057.db2.gz ZYAXXNOLJIPUJB-UHFFFAOYSA-N 2 1 321.468 3.997 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC)c2)CC1 ZINC000152990917 1038028330 /nfs/dbraw/zinc/02/83/30/1038028330.db2.gz RCARCWNCHPXMRL-MRXNPFEDSA-N 2 1 302.462 3.776 20 30 DHEDMP CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660930 1039260943 /nfs/dbraw/zinc/26/09/43/1039260943.db2.gz QKIWRICIELFBIJ-UHFFFAOYSA-N 2 1 321.468 3.836 20 30 DHEDMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404490 1039447094 /nfs/dbraw/zinc/44/70/94/1039447094.db2.gz YQPUPFCLRJEBQH-HBGVWJBISA-N 2 1 319.452 3.554 20 30 DHEDMP N#Cc1ccc(C2([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000594584745 1039861662 /nfs/dbraw/zinc/86/16/62/1039861662.db2.gz IESGAVMJIPFYNN-MOPGFXCFSA-N 2 1 303.409 3.672 20 30 DHEDMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 ZINC000518532811 332074916 /nfs/dbraw/zinc/07/49/16/332074916.db2.gz DCSCVCTWPNNHOA-NHCUHLMSSA-N 2 1 319.452 3.678 20 30 DHEDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]1c1ccccc1 ZINC000518532811 332074917 /nfs/dbraw/zinc/07/49/17/332074917.db2.gz DCSCVCTWPNNHOA-NHCUHLMSSA-N 2 1 319.452 3.678 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000152983789 332332286 /nfs/dbraw/zinc/33/22/86/332332286.db2.gz FSGSOQPRGNOOEM-HNNXBMFYSA-N 2 1 317.433 3.594 20 30 DHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000174268234 333084231 /nfs/dbraw/zinc/08/42/31/333084231.db2.gz AYSZKMYDOLOOSH-UHFFFAOYSA-N 2 1 301.478 3.946 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000174325130 333084986 /nfs/dbraw/zinc/08/49/86/333084986.db2.gz JLMSCBGHHUXXID-MRXNPFEDSA-N 2 1 319.518 3.880 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000174325130 333084985 /nfs/dbraw/zinc/08/49/85/333084985.db2.gz JLMSCBGHHUXXID-MRXNPFEDSA-N 2 1 319.518 3.880 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185783836 333214053 /nfs/dbraw/zinc/21/40/53/333214053.db2.gz AOBVRDCBSVJYGU-YLJYHZDGSA-N 2 1 311.473 3.631 20 30 DHEDMP C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278797515 334101158 /nfs/dbraw/zinc/10/11/58/334101158.db2.gz QXPDQFVDIWSTKJ-OJAHFUOMSA-N 2 1 311.473 3.569 20 30 DHEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000294955457 334214762 /nfs/dbraw/zinc/21/47/62/334214762.db2.gz DLPCKWGKPXSEKR-OFOKGCAXSA-N 2 1 323.484 3.569 20 30 DHEDMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295123130 334219154 /nfs/dbraw/zinc/21/91/54/334219154.db2.gz WVOOKIFCSGEHRO-QGZVKYPTSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000295123130 334219155 /nfs/dbraw/zinc/21/91/55/334219155.db2.gz WVOOKIFCSGEHRO-QGZVKYPTSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919265 336197073 /nfs/dbraw/zinc/19/70/73/336197073.db2.gz PCEXGICGJPNMOD-QGZVFWFLSA-N 2 1 307.441 3.731 20 30 DHEDMP N#CCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377195796 337048484 /nfs/dbraw/zinc/04/84/84/337048484.db2.gz GILCRLAXMGZAKS-UHFFFAOYSA-N 2 1 311.473 3.668 20 30 DHEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439437667 338369537 /nfs/dbraw/zinc/36/95/37/338369537.db2.gz IFZNGYJOLVYHLR-XJKSGUPXSA-N 2 1 305.853 3.516 20 30 DHEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665885 340371886 /nfs/dbraw/zinc/37/18/86/340371886.db2.gz HVGBSKHZVHWWRK-DOTOQJQBSA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665885 340371887 /nfs/dbraw/zinc/37/18/87/340371887.db2.gz HVGBSKHZVHWWRK-DOTOQJQBSA-N 2 1 317.452 3.716 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)Cc2ccc(C)cc2)CC1 ZINC000152977787 341514976 /nfs/dbraw/zinc/51/49/76/341514976.db2.gz HTDAUHQTGGKQIV-LJQANCHMSA-N 2 1 300.490 3.946 20 30 DHEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638757311 1013504392 /nfs/dbraw/zinc/50/43/92/1013504392.db2.gz KNCRIJLQTYOZAP-AZUAARDMSA-N 2 1 314.473 3.537 20 30 DHEDMP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638757311 1013504401 /nfs/dbraw/zinc/50/44/01/1013504401.db2.gz KNCRIJLQTYOZAP-AZUAARDMSA-N 2 1 314.473 3.537 20 30 DHEDMP C=CC[NH+]1CCC(NCc2ccsc2C(F)(F)F)CC1 ZINC000527656247 1027823654 /nfs/dbraw/zinc/82/36/54/1027823654.db2.gz FSVZYYMGOHRZAG-UHFFFAOYSA-N 2 1 304.381 3.507 20 30 DHEDMP C[NH+](C)CCCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187384751 1014576543 /nfs/dbraw/zinc/57/65/43/1014576543.db2.gz MITUBFRCXZYBEG-UHFFFAOYSA-N 2 1 319.880 3.765 20 30 DHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442780723 1014729565 /nfs/dbraw/zinc/72/95/65/1014729565.db2.gz NITKIJIZNIZIEY-VQIMIIECSA-N 2 1 323.440 3.693 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318350 1014786335 /nfs/dbraw/zinc/78/63/35/1014786335.db2.gz YNQHMYIGVHPGGK-DYESRHJHSA-N 2 1 319.452 3.558 20 30 DHEDMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000765013340 1018448054 /nfs/dbraw/zinc/44/80/54/1018448054.db2.gz HBGKHXYYRPIWKM-OXQOHEQNSA-N 2 1 311.473 3.691 20 30 DHEDMP C=C(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000675783579 1018590108 /nfs/dbraw/zinc/59/01/08/1018590108.db2.gz LMELSRDBLGHROJ-UHFFFAOYSA-N 2 1 320.480 3.997 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCCC#N)C2)s1 ZINC000584164987 1018994462 /nfs/dbraw/zinc/99/44/62/1018994462.db2.gz MAPKCYAUTYHECT-INIZCTEOSA-N 2 1 305.491 3.504 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCCC#N)C2)s1 ZINC000584164987 1018994473 /nfs/dbraw/zinc/99/44/73/1018994473.db2.gz MAPKCYAUTYHECT-INIZCTEOSA-N 2 1 305.491 3.504 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCCC#N)C2)s1 ZINC000584164987 1018994484 /nfs/dbraw/zinc/99/44/84/1018994484.db2.gz MAPKCYAUTYHECT-INIZCTEOSA-N 2 1 305.491 3.504 20 30 DHEDMP Cc1ccc(C(=[NH2+])N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1C ZINC001171742232 1032878152 /nfs/dbraw/zinc/87/81/52/1032878152.db2.gz UOYRRALXFWAZBF-FXAWDEMLSA-N 2 1 321.468 3.672 20 30 DHEDMP Cc1ccc(C(=[NH2+])N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1C ZINC001171742232 1032878171 /nfs/dbraw/zinc/87/81/71/1032878171.db2.gz UOYRRALXFWAZBF-FXAWDEMLSA-N 2 1 321.468 3.672 20 30 DHEDMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000359865320 1020574197 /nfs/dbraw/zinc/57/41/97/1020574197.db2.gz DJQZDJGYNFSXAC-AWEZNQCLSA-N 2 1 314.458 3.604 20 30 DHEDMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000359865320 1020574203 /nfs/dbraw/zinc/57/42/03/1020574203.db2.gz DJQZDJGYNFSXAC-AWEZNQCLSA-N 2 1 314.458 3.604 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374277200 1021136597 /nfs/dbraw/zinc/13/65/97/1021136597.db2.gz JELOTVZEPISQQT-HXUWFJFHSA-N 2 1 313.489 3.818 20 30 DHEDMP CC1(C)C[C@H]([NH+]2CCC(S)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987796 1032970119 /nfs/dbraw/zinc/97/01/19/1032970119.db2.gz JVPWNXFLCGDIIN-QGZVFWFLSA-N 2 1 318.530 3.824 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000153060397 1021943533 /nfs/dbraw/zinc/94/35/33/1021943533.db2.gz KKLBYWZMQFUQRP-IFXJQAMLSA-N 2 1 302.437 3.689 20 30 DHEDMP CCCCCCCCN(CC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117288 1033018562 /nfs/dbraw/zinc/01/85/62/1033018562.db2.gz KWLWQWQYQVRIMT-BWTSREIZSA-N 2 1 309.542 3.623 20 30 DHEDMP C#C[C@](C)(CC)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001169697411 1022506430 /nfs/dbraw/zinc/50/64/30/1022506430.db2.gz LDIYPHOEGXCCPG-QFBILLFUSA-N 2 1 310.445 3.565 20 30 DHEDMP CC(C)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304131 1033075352 /nfs/dbraw/zinc/07/53/52/1033075352.db2.gz HOTSAFRIWJFAJJ-NSISKUIASA-N 2 1 313.489 3.717 20 30 DHEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ccc(N)[nH+]c2C)cc1 ZINC001167788161 1023923750 /nfs/dbraw/zinc/92/37/50/1023923750.db2.gz QESCYNLZLAHBJU-IBGZPJMESA-N 2 1 322.456 3.907 20 30 DHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccc(N)[nH+]c2C)cc1 ZINC001167788161 1023923754 /nfs/dbraw/zinc/92/37/54/1023923754.db2.gz QESCYNLZLAHBJU-IBGZPJMESA-N 2 1 322.456 3.907 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602692124 1024168307 /nfs/dbraw/zinc/16/83/07/1024168307.db2.gz UJMCYGGMYVRIKX-HKUYNNGSSA-N 2 1 311.473 3.884 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602692124 1024168316 /nfs/dbraw/zinc/16/83/16/1024168316.db2.gz UJMCYGGMYVRIKX-HKUYNNGSSA-N 2 1 311.473 3.884 20 30 DHEDMP C[C@@H](CCCC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172481897 1033195972 /nfs/dbraw/zinc/19/59/72/1033195972.db2.gz ZDDCGTDNLCZVGW-FFGOWVMKSA-N 2 1 311.473 3.854 20 30 DHEDMP CCCCCCC[C@@H](CCC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172501194 1033231588 /nfs/dbraw/zinc/23/15/88/1033231588.db2.gz FRJFULKWJPBTGM-LJQANCHMSA-N 2 1 311.558 3.743 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362722540 1027358314 /nfs/dbraw/zinc/35/83/14/1027358314.db2.gz FEYVNZXZBCGLAI-UXHICEINSA-N 2 1 322.456 3.744 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362722540 1027358331 /nfs/dbraw/zinc/35/83/31/1027358331.db2.gz FEYVNZXZBCGLAI-UXHICEINSA-N 2 1 322.456 3.744 20 30 DHEDMP CC1CCC([NH+]2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC1 ZINC000371883412 1028772866 /nfs/dbraw/zinc/77/28/66/1028772866.db2.gz IYQDYQIQOUIBCK-UHFFFAOYSA-N 2 1 317.502 3.752 20 30 DHEDMP C=C(C)C[NH+](CC)Cc1cncc(C[N@@H+](CC)CC(=C)C)c1 ZINC000566837165 1028789858 /nfs/dbraw/zinc/78/98/58/1028789858.db2.gz BSIFSDBXWPPNSA-UHFFFAOYSA-N 2 1 301.478 3.878 20 30 DHEDMP C[C@H](C#N)C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411399257 1029122257 /nfs/dbraw/zinc/12/22/57/1029122257.db2.gz FSKIUNKUVDSIRX-QGZVFWFLSA-N 2 1 311.473 3.797 20 30 DHEDMP C[C@H](C#N)C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411399257 1029122264 /nfs/dbraw/zinc/12/22/64/1029122264.db2.gz FSKIUNKUVDSIRX-QGZVFWFLSA-N 2 1 311.473 3.797 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000374018903 1029189600 /nfs/dbraw/zinc/18/96/00/1029189600.db2.gz QAMFEMIYOPYMCB-VAMGGRTRSA-N 2 1 323.484 3.571 20 30 DHEDMP CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc(C#N)cc2)CC1 ZINC000374364606 1029314289 /nfs/dbraw/zinc/31/42/89/1029314289.db2.gz UJPQIKRQZZEBHH-UHFFFAOYSA-N 2 1 319.452 3.655 20 30 DHEDMP C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc(C#N)cc2)CC1 ZINC000374364606 1029314302 /nfs/dbraw/zinc/31/43/02/1029314302.db2.gz UJPQIKRQZZEBHH-UHFFFAOYSA-N 2 1 319.452 3.655 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248404365 1030743685 /nfs/dbraw/zinc/74/36/85/1030743685.db2.gz QCXCIBGJEMDRGT-HSALFYBXSA-N 2 1 311.473 3.571 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000536999158 1031487380 /nfs/dbraw/zinc/48/73/80/1031487380.db2.gz APSNVAYLUQOOAW-IBGZPJMESA-N 2 1 302.437 3.907 20 30 DHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360828763 1031578648 /nfs/dbraw/zinc/57/86/48/1031578648.db2.gz AHSDZUYCNOEMOR-HBFSDRIKSA-N 2 1 309.457 3.542 20 30 DHEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782294 1031608345 /nfs/dbraw/zinc/60/83/45/1031608345.db2.gz UNMABGOPHVHQFK-CXAGYDPISA-N 2 1 305.853 3.516 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782294 1031608356 /nfs/dbraw/zinc/60/83/56/1031608356.db2.gz UNMABGOPHVHQFK-CXAGYDPISA-N 2 1 305.853 3.516 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782294 1031608363 /nfs/dbraw/zinc/60/83/63/1031608363.db2.gz UNMABGOPHVHQFK-CXAGYDPISA-N 2 1 305.853 3.516 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782294 1031608370 /nfs/dbraw/zinc/60/83/70/1031608370.db2.gz UNMABGOPHVHQFK-CXAGYDPISA-N 2 1 305.853 3.516 20 30 DHEDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000271965103 1036800632 /nfs/dbraw/zinc/80/06/32/1036800632.db2.gz VIUKHMNIAOZFBI-LBPRGKRZSA-N 2 1 303.425 3.657 20 30 DHEDMP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000443976292 1036960235 /nfs/dbraw/zinc/96/02/35/1036960235.db2.gz CVVXDOMBBYUBSY-UHFFFAOYSA-N 2 1 319.452 3.621 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000494069147 1037638184 /nfs/dbraw/zinc/63/81/84/1037638184.db2.gz MUNRJVKXHFSUQB-UHFFFAOYSA-N 2 1 315.486 3.735 20 30 DHEDMP CCCCCCCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201826133 1037910502 /nfs/dbraw/zinc/91/05/02/1037910502.db2.gz NRCSHLZVYDXZIL-LJQANCHMSA-N 2 1 310.526 3.922 20 30 DHEDMP CCCCCCCC[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201826133 1037910511 /nfs/dbraw/zinc/91/05/11/1037910511.db2.gz NRCSHLZVYDXZIL-LJQANCHMSA-N 2 1 310.526 3.922 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030874 1039359619 /nfs/dbraw/zinc/35/96/19/1039359619.db2.gz PIXCPZRNKNNPON-GVDBMIGSSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030874 1039359765 /nfs/dbraw/zinc/35/97/65/1039359765.db2.gz PIXCPZRNKNNPON-GVDBMIGSSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030874 1039359781 /nfs/dbraw/zinc/35/97/81/1039359781.db2.gz PIXCPZRNKNNPON-GVDBMIGSSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030874 1039359793 /nfs/dbraw/zinc/35/97/93/1039359793.db2.gz PIXCPZRNKNNPON-GVDBMIGSSA-N 2 1 317.502 3.503 20 30 DHEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094812 1040306857 /nfs/dbraw/zinc/30/68/57/1040306857.db2.gz MKTGHHSEIMJKLS-WIYYLYMNSA-N 2 1 323.484 3.647 20 30 DHEDMP N#CC1(c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000597013297 1040624531 /nfs/dbraw/zinc/62/45/31/1040624531.db2.gz HNTPODSLUYEROQ-FQEVSTJZSA-N 2 1 323.484 3.692 20 30 DHEDMP N#CC1(c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000597013297 1040624539 /nfs/dbraw/zinc/62/45/39/1040624539.db2.gz HNTPODSLUYEROQ-FQEVSTJZSA-N 2 1 323.484 3.692 20 30 DHEDMP C[C@H](CCC#N)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000602474831 1041039234 /nfs/dbraw/zinc/03/92/34/1041039234.db2.gz NZVVLKZRAJBQSP-HBFSDRIKSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000602474831 1041039246 /nfs/dbraw/zinc/03/92/46/1041039246.db2.gz NZVVLKZRAJBQSP-HBFSDRIKSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602474831 1041039262 /nfs/dbraw/zinc/03/92/62/1041039262.db2.gz NZVVLKZRAJBQSP-HBFSDRIKSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602474831 1041039275 /nfs/dbraw/zinc/03/92/75/1041039275.db2.gz NZVVLKZRAJBQSP-HBFSDRIKSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602574980 1041110576 /nfs/dbraw/zinc/11/05/76/1041110576.db2.gz DCFFLJZJOYPFLT-HBFSDRIKSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602574981 1041111610 /nfs/dbraw/zinc/11/16/10/1041111610.db2.gz DCFFLJZJOYPFLT-QWFCFKBJSA-N 2 1 313.489 3.817 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602695528 1041157165 /nfs/dbraw/zinc/15/71/65/1041157165.db2.gz UZRYHTBWPUXLGV-HYJFEMIMSA-N 2 1 309.457 3.636 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602695528 1041157173 /nfs/dbraw/zinc/15/71/73/1041157173.db2.gz UZRYHTBWPUXLGV-HYJFEMIMSA-N 2 1 309.457 3.636 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285637055 335023839 /nfs/dbraw/zinc/02/38/39/335023839.db2.gz ALIDXLVPLNSQQP-ONEGZZNKSA-N 2 1 306.400 3.608 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc3c(c2)CCO3)CC1 ZINC000152975498 332332613 /nfs/dbraw/zinc/33/26/13/332332613.db2.gz GASXJWOEBJYDOW-LJQANCHMSA-N 2 1 314.473 3.703 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185783819 333214149 /nfs/dbraw/zinc/21/41/49/333214149.db2.gz AOBVRDCBSVJYGU-PXNSSMCTSA-N 2 1 311.473 3.631 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(C)(C)C#N ZINC000276205124 334075152 /nfs/dbraw/zinc/07/51/52/334075152.db2.gz JWOXCQONDCRMOT-DZFIZOCASA-N 2 1 313.489 3.672 20 30 DHEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000293598004 334199664 /nfs/dbraw/zinc/19/96/64/334199664.db2.gz OSZNQFMPRHGTHA-UXHICEINSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000297848306 334244513 /nfs/dbraw/zinc/24/45/13/334244513.db2.gz XHWYJVAASGLPLU-UHFFFAOYSA-N 2 1 323.484 3.607 20 30 DHEDMP C[C@@H](CCC#N)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000298398222 334248091 /nfs/dbraw/zinc/24/80/91/334248091.db2.gz OOOVWLVKCLDFCX-SFHVURJKSA-N 2 1 311.473 3.667 20 30 DHEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341584604 334458800 /nfs/dbraw/zinc/45/88/00/334458800.db2.gz FSUSISZIIHNWLU-IAGOWNOFSA-N 2 1 308.510 3.600 20 30 DHEDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000192918866 336284331 /nfs/dbraw/zinc/28/43/31/336284331.db2.gz BONGQGORFJXYQB-SJORKVTESA-N 2 1 315.461 3.504 20 30 DHEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000116367469 337392654 /nfs/dbraw/zinc/39/26/54/337392654.db2.gz VWUQGBABDIYOCO-KRWDZBQOSA-N 2 1 319.452 3.873 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474051065 339399286 /nfs/dbraw/zinc/39/92/86/339399286.db2.gz BSAMWIABPSTTPL-AWEZNQCLSA-N 2 1 300.437 3.831 20 30 DHEDMP C=CCC[C@H](CCC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594787 341405822 /nfs/dbraw/zinc/40/58/22/341405822.db2.gz HJZXAKXNVQWSMR-SFHVURJKSA-N 2 1 308.510 3.746 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000153060294 341522745 /nfs/dbraw/zinc/52/27/45/341522745.db2.gz KKLBYWZMQFUQRP-AUUYWEPGSA-N 2 1 302.437 3.689 20 30 DHEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000154754958 521022252 /nfs/dbraw/zinc/02/22/52/521022252.db2.gz QLGKFGNWJVPCLN-HXUWFJFHSA-N 2 1 311.473 3.502 20 30 DHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000154754958 521022262 /nfs/dbraw/zinc/02/22/62/521022262.db2.gz QLGKFGNWJVPCLN-HXUWFJFHSA-N 2 1 311.473 3.502 20 30 DHEDMP C#CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)C1CCCCC1 ZINC001167273755 1013488971 /nfs/dbraw/zinc/48/89/71/1013488971.db2.gz RLWYWTKNNBUCFM-UHFFFAOYSA-N 2 1 307.441 3.949 20 30 DHEDMP C=CCC[C@@H](NCc1ccc(-n2ccnc2C)nc1)c1ccco1 ZINC000276490484 1015211136 /nfs/dbraw/zinc/21/11/36/1015211136.db2.gz UWEIBRZOKPBNPX-QGZVFWFLSA-N 2 1 322.412 3.966 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187715314 1016219125 /nfs/dbraw/zinc/21/91/25/1016219125.db2.gz YJCBYWOEAKKNQL-XFQXTVEOSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187715314 1016219131 /nfs/dbraw/zinc/21/91/31/1016219131.db2.gz YJCBYWOEAKKNQL-XFQXTVEOSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187715314 1016219140 /nfs/dbraw/zinc/21/91/40/1016219140.db2.gz YJCBYWOEAKKNQL-XFQXTVEOSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187715314 1016219143 /nfs/dbraw/zinc/21/91/43/1016219143.db2.gz YJCBYWOEAKKNQL-XFQXTVEOSA-N 2 1 309.457 3.568 20 30 DHEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000120944393 1032405938 /nfs/dbraw/zinc/40/59/38/1032405938.db2.gz KNCLPXYJEWCKSI-CTNGQTDRSA-N 2 1 312.501 3.885 20 30 DHEDMP CCCCCCC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000711792270 1012148799 /nfs/dbraw/zinc/14/87/99/1012148799.db2.gz QGLSOHRODFKBRF-HXUWFJFHSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCCCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711792270 1012148808 /nfs/dbraw/zinc/14/88/08/1012148808.db2.gz QGLSOHRODFKBRF-HXUWFJFHSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCCCCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711792270 1012148811 /nfs/dbraw/zinc/14/88/11/1012148811.db2.gz QGLSOHRODFKBRF-HXUWFJFHSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCCCCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711792270 1012148820 /nfs/dbraw/zinc/14/88/20/1012148820.db2.gz QGLSOHRODFKBRF-HXUWFJFHSA-N 2 1 318.505 3.526 20 30 DHEDMP CCCCCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711792270 1012148828 /nfs/dbraw/zinc/14/88/28/1012148828.db2.gz QGLSOHRODFKBRF-HXUWFJFHSA-N 2 1 318.505 3.526 20 30 DHEDMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000765012916 1018448257 /nfs/dbraw/zinc/44/82/57/1018448257.db2.gz GQCNKDWDUMTYRI-JXFKEZNVSA-N 2 1 311.473 3.691 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCSCC#N)CC1 ZINC000158954195 1018963270 /nfs/dbraw/zinc/96/32/70/1018963270.db2.gz FGZBFMYMNJRWTQ-QGZVFWFLSA-N 2 1 323.550 3.610 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338973 1019858564 /nfs/dbraw/zinc/85/85/64/1019858564.db2.gz LPGZSQCHBMLRLK-UWJYYQICSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338973 1019858583 /nfs/dbraw/zinc/85/85/83/1019858583.db2.gz LPGZSQCHBMLRLK-UWJYYQICSA-N 2 1 319.452 3.701 20 30 DHEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000657915083 1020417397 /nfs/dbraw/zinc/41/73/97/1020417397.db2.gz HVCGPHIFFHYPKY-RTBURBONSA-N 2 1 320.521 3.746 20 30 DHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000921686483 1020444908 /nfs/dbraw/zinc/44/49/08/1020444908.db2.gz KPZYGXDAOINNHI-UHFFFAOYSA-N 2 1 321.468 3.917 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727293 1020451529 /nfs/dbraw/zinc/45/15/29/1020451529.db2.gz PTIGPZXGZCBEBV-MRXNPFEDSA-N 2 1 319.518 3.750 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727293 1020451535 /nfs/dbraw/zinc/45/15/35/1020451535.db2.gz PTIGPZXGZCBEBV-MRXNPFEDSA-N 2 1 319.518 3.750 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727293 1020451540 /nfs/dbraw/zinc/45/15/40/1020451540.db2.gz PTIGPZXGZCBEBV-MRXNPFEDSA-N 2 1 319.518 3.750 20 30 DHEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000129209497 1021452303 /nfs/dbraw/zinc/45/23/03/1021452303.db2.gz PRJAMFFYTCPMAI-LJQANCHMSA-N 2 1 314.473 3.702 20 30 DHEDMP C=CCOc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000129209497 1021452310 /nfs/dbraw/zinc/45/23/10/1021452310.db2.gz PRJAMFFYTCPMAI-LJQANCHMSA-N 2 1 314.473 3.702 20 30 DHEDMP C#C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172084381 1032981191 /nfs/dbraw/zinc/98/11/91/1032981191.db2.gz WWLYMGHWJLMPKR-YJMBLLCNSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172084381 1032981205 /nfs/dbraw/zinc/98/12/05/1032981205.db2.gz WWLYMGHWJLMPKR-YJMBLLCNSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172084381 1032981213 /nfs/dbraw/zinc/98/12/13/1032981213.db2.gz WWLYMGHWJLMPKR-YJMBLLCNSA-N 2 1 322.496 3.917 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172084381 1032981229 /nfs/dbraw/zinc/98/12/29/1032981229.db2.gz WWLYMGHWJLMPKR-YJMBLLCNSA-N 2 1 322.496 3.917 20 30 DHEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000236639146 1021608143 /nfs/dbraw/zinc/60/81/43/1021608143.db2.gz AWKUHNUWTKMEGY-UHFFFAOYSA-N 2 1 302.462 3.604 20 30 DHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683362 1021651759 /nfs/dbraw/zinc/65/17/59/1021651759.db2.gz MFFJTNCTGQLYOW-LJQANCHMSA-N 2 1 314.473 3.559 20 30 DHEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683362 1021651761 /nfs/dbraw/zinc/65/17/61/1021651761.db2.gz MFFJTNCTGQLYOW-LJQANCHMSA-N 2 1 314.473 3.559 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118624 1033025075 /nfs/dbraw/zinc/02/50/75/1033025075.db2.gz SLWMGMALWJDEBQ-ZJPYXAASSA-N 2 1 314.473 3.917 20 30 DHEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118624 1033025091 /nfs/dbraw/zinc/02/50/91/1033025091.db2.gz SLWMGMALWJDEBQ-ZJPYXAASSA-N 2 1 314.473 3.917 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000538394434 1033052020 /nfs/dbraw/zinc/05/20/20/1033052020.db2.gz ZXCSXMVVFHNUQV-ZWKOTPCHSA-N 2 1 308.510 3.600 20 30 DHEDMP C=CCC[N@H+](Cc1ccccc1)C1CC[NH+](CCCOC)CC1 ZINC001172255401 1033069325 /nfs/dbraw/zinc/06/93/25/1033069325.db2.gz PZPRZHSAPQUMOF-UHFFFAOYSA-N 2 1 316.489 3.566 20 30 DHEDMP C=CCC[N@@H+](Cc1ccccc1)C1CC[NH+](CCCOC)CC1 ZINC001172255401 1033069340 /nfs/dbraw/zinc/06/93/40/1033069340.db2.gz PZPRZHSAPQUMOF-UHFFFAOYSA-N 2 1 316.489 3.566 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768262350 1022937116 /nfs/dbraw/zinc/93/71/16/1022937116.db2.gz IZUPIHQVBHODMH-MRXNPFEDSA-N 2 1 307.441 3.813 20 30 DHEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300238 1033106146 /nfs/dbraw/zinc/10/61/46/1033106146.db2.gz UEYUTNWPOQVUMN-QSFXBCCZSA-N 2 1 311.473 3.614 20 30 DHEDMP C[N@@H+](CCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C1CC1 ZINC000453403780 1024501715 /nfs/dbraw/zinc/50/17/15/1024501715.db2.gz OWUMMGKNMYDGGK-HXUWFJFHSA-N 2 1 311.473 3.790 20 30 DHEDMP C[C@@H](CCCC#N)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172492608 1033226388 /nfs/dbraw/zinc/22/63/88/1033226388.db2.gz MYLIRKFTAQGEBY-VDGAXYAQSA-N 2 1 324.472 3.713 20 30 DHEDMP CCCCCCCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000792269883 1024656790 /nfs/dbraw/zinc/65/67/90/1024656790.db2.gz XXRITNWWDHQDLJ-WOJBJXKFSA-N 2 1 323.569 3.695 20 30 DHEDMP CCCCCCC[C@H](CCC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172501190 1033231837 /nfs/dbraw/zinc/23/18/37/1033231837.db2.gz FRJFULKWJPBTGM-IBGZPJMESA-N 2 1 311.558 3.743 20 30 DHEDMP CCCCCCCC[C@@H](CC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001172503139 1033232194 /nfs/dbraw/zinc/23/21/94/1033232194.db2.gz PCFDBTNCOIPAOE-MOPGFXCFSA-N 2 1 309.542 3.528 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001206047732 1024749191 /nfs/dbraw/zinc/74/91/91/1024749191.db2.gz LEDMNBKOYVUELR-SJLPKXTDSA-N 2 1 304.865 3.521 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001206047732 1024749204 /nfs/dbraw/zinc/74/92/04/1024749204.db2.gz LEDMNBKOYVUELR-SJLPKXTDSA-N 2 1 304.865 3.521 20 30 DHEDMP CCCCCCC[C@@H](CCC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001172508736 1033237350 /nfs/dbraw/zinc/23/73/50/1033237350.db2.gz NKZXCKXNZASHAD-RTBURBONSA-N 2 1 309.542 3.528 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001172509945 1033238445 /nfs/dbraw/zinc/23/84/45/1033238445.db2.gz SUFAQCSEJMWZCW-INIZCTEOSA-N 2 1 317.452 3.804 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001172509945 1033238452 /nfs/dbraw/zinc/23/84/52/1033238452.db2.gz SUFAQCSEJMWZCW-INIZCTEOSA-N 2 1 317.452 3.804 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000163197504 1024986037 /nfs/dbraw/zinc/98/60/37/1024986037.db2.gz FEYVNZXZBCGLAI-PMACEKPBSA-N 2 1 322.456 3.744 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000163197504 1024986046 /nfs/dbraw/zinc/98/60/46/1024986046.db2.gz FEYVNZXZBCGLAI-PMACEKPBSA-N 2 1 322.456 3.744 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)cc1C ZINC000191506340 1025157106 /nfs/dbraw/zinc/15/71/06/1025157106.db2.gz VARVPUZYHOKJEY-UHFFFAOYSA-N 2 1 310.445 3.538 20 30 DHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000191506340 1025157124 /nfs/dbraw/zinc/15/71/24/1025157124.db2.gz VARVPUZYHOKJEY-UHFFFAOYSA-N 2 1 310.445 3.538 20 30 DHEDMP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000353681682 1025195592 /nfs/dbraw/zinc/19/55/92/1025195592.db2.gz WTGWCYHZGGACMH-RRMPHLOHSA-N 2 1 323.484 3.788 20 30 DHEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261808 1033269747 /nfs/dbraw/zinc/26/97/47/1033269747.db2.gz FXVCIUPBHUIUCK-KRWDZBQOSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261808 1033269762 /nfs/dbraw/zinc/26/97/62/1033269762.db2.gz FXVCIUPBHUIUCK-KRWDZBQOSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261808 1033269770 /nfs/dbraw/zinc/26/97/70/1033269770.db2.gz FXVCIUPBHUIUCK-KRWDZBQOSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261808 1033269776 /nfs/dbraw/zinc/26/97/76/1033269776.db2.gz FXVCIUPBHUIUCK-KRWDZBQOSA-N 2 1 313.489 3.651 20 30 DHEDMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)[nH+]c1C ZINC000886662282 1025768517 /nfs/dbraw/zinc/76/85/17/1025768517.db2.gz ATIIXJMUGPLKOX-UHFFFAOYSA-N 2 1 308.429 3.586 20 30 DHEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168668 1025791915 /nfs/dbraw/zinc/79/19/15/1025791915.db2.gz ORVQBCYPIIOOSP-IBGZPJMESA-N 2 1 313.489 3.794 20 30 DHEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168668 1025791930 /nfs/dbraw/zinc/79/19/30/1025791930.db2.gz ORVQBCYPIIOOSP-IBGZPJMESA-N 2 1 313.489 3.794 20 30 DHEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168668 1025791944 /nfs/dbraw/zinc/79/19/44/1025791944.db2.gz ORVQBCYPIIOOSP-IBGZPJMESA-N 2 1 313.489 3.794 20 30 DHEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168668 1025791963 /nfs/dbraw/zinc/79/19/63/1025791963.db2.gz ORVQBCYPIIOOSP-IBGZPJMESA-N 2 1 313.489 3.794 20 30 DHEDMP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC000572428640 1027199145 /nfs/dbraw/zinc/19/91/45/1027199145.db2.gz GSDBKFWJSCUBIB-LEWJYISDSA-N 2 1 319.452 3.526 20 30 DHEDMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC000572428640 1027199159 /nfs/dbraw/zinc/19/91/59/1027199159.db2.gz GSDBKFWJSCUBIB-LEWJYISDSA-N 2 1 319.452 3.526 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC000933548109 1027757126 /nfs/dbraw/zinc/75/71/26/1027757126.db2.gz QZILXXBLUXNGMU-UYAOXDASSA-N 2 1 323.484 3.766 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138774 1028002612 /nfs/dbraw/zinc/00/26/12/1028002612.db2.gz YDPAGBOAGVCSRX-IEBWSBKVSA-N 2 1 313.489 3.674 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367208169 1028146971 /nfs/dbraw/zinc/14/69/71/1028146971.db2.gz HWIHZEIXNCWORV-VQIMIIECSA-N 2 1 323.484 3.816 20 30 DHEDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367804571 1028242100 /nfs/dbraw/zinc/24/21/00/1028242100.db2.gz VAWVQGOXTOPRQF-INIZCTEOSA-N 2 1 319.452 3.970 20 30 DHEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094962 1028369164 /nfs/dbraw/zinc/36/91/64/1028369164.db2.gz VGVLGJRRCVHKGL-GIOYIUAESA-N 2 1 305.510 3.805 20 30 DHEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449136837 1028388906 /nfs/dbraw/zinc/38/89/06/1028388906.db2.gz CLATXHULYKUDBG-LRYGQEGESA-N 2 1 305.510 3.949 20 30 DHEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449136837 1028388922 /nfs/dbraw/zinc/38/89/22/1028388922.db2.gz CLATXHULYKUDBG-LRYGQEGESA-N 2 1 305.510 3.949 20 30 DHEDMP C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568401599 1029060588 /nfs/dbraw/zinc/06/05/88/1029060588.db2.gz XUFWANDRGXMWHJ-UHFFFAOYSA-N 2 1 322.452 3.529 20 30 DHEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411299614 1029096033 /nfs/dbraw/zinc/09/60/33/1029096033.db2.gz LENWGPDJRYFWPK-SFHVURJKSA-N 2 1 303.494 3.514 20 30 DHEDMP N#CC1(F)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411723142 1029190437 /nfs/dbraw/zinc/19/04/37/1029190437.db2.gz SGDYUCPBQGUZME-UHFFFAOYSA-N 2 1 315.436 3.500 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2cccc3ccccc32)CC1 ZINC000819025058 1029464686 /nfs/dbraw/zinc/46/46/86/1029464686.db2.gz XBBQJOVYEXXZQG-NRFANRHFSA-N 2 1 324.468 3.503 20 30 DHEDMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571720 1030538661 /nfs/dbraw/zinc/53/86/61/1030538661.db2.gz PKAUJLAAIVHWIW-GJZGRUSLSA-N 2 1 303.425 3.612 20 30 DHEDMP CC[N@@H+](CCC1CCN(C[C@H](C#N)CCC#N)CC1)CC(C)C ZINC000358738870 1030607189 /nfs/dbraw/zinc/60/71/89/1030607189.db2.gz SRKBKIHHAPKZID-IBGZPJMESA-N 2 1 318.509 3.510 20 30 DHEDMP CC[N@H+](CCC1CC[NH+](C[C@H](C#N)CCC#N)CC1)CC(C)C ZINC000358738870 1030607195 /nfs/dbraw/zinc/60/71/95/1030607195.db2.gz SRKBKIHHAPKZID-IBGZPJMESA-N 2 1 318.509 3.510 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](C[C@H](C#N)CCC#N)CC1)CC(C)C ZINC000358738870 1030607201 /nfs/dbraw/zinc/60/72/01/1030607201.db2.gz SRKBKIHHAPKZID-IBGZPJMESA-N 2 1 318.509 3.510 20 30 DHEDMP N#CCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926345075 1030703735 /nfs/dbraw/zinc/70/37/35/1030703735.db2.gz NNTAEKWYJIDDMI-IHWFROFDSA-N 2 1 323.484 3.856 20 30 DHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929507299 1031536321 /nfs/dbraw/zinc/53/63/21/1031536321.db2.gz UVSUKYDNTXOXEH-UHFFFAOYSA-N 2 1 319.880 3.764 20 30 DHEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929690817 1031580599 /nfs/dbraw/zinc/58/05/99/1031580599.db2.gz WHUBZWSQQXNKTJ-IBGZPJMESA-N 2 1 311.473 3.625 20 30 DHEDMP N#CCC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336536 1033691521 /nfs/dbraw/zinc/69/15/21/1033691521.db2.gz CQYQMMDGTAEAKK-DLIHROTGSA-N 2 1 323.484 3.523 20 30 DHEDMP N#CCC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336536 1033691530 /nfs/dbraw/zinc/69/15/30/1033691530.db2.gz CQYQMMDGTAEAKK-DLIHROTGSA-N 2 1 323.484 3.523 20 30 DHEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCC(CC#N)CC1 ZINC001173337524 1033694638 /nfs/dbraw/zinc/69/46/38/1033694638.db2.gz NERHQOIZUFMIQK-BTRQGYIVSA-N 2 1 303.494 3.798 20 30 DHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337524 1033694660 /nfs/dbraw/zinc/69/46/60/1033694660.db2.gz NERHQOIZUFMIQK-BTRQGYIVSA-N 2 1 303.494 3.798 20 30 DHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173337524 1033694667 /nfs/dbraw/zinc/69/46/67/1033694667.db2.gz NERHQOIZUFMIQK-BTRQGYIVSA-N 2 1 303.494 3.798 20 30 DHEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCC(C)(C#N)CC1 ZINC001173598289 1033783241 /nfs/dbraw/zinc/78/32/41/1033783241.db2.gz OOMUGALFNLJLJF-YBXZHIRMSA-N 2 1 303.494 3.798 20 30 DHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173598289 1033783250 /nfs/dbraw/zinc/78/32/50/1033783250.db2.gz OOMUGALFNLJLJF-YBXZHIRMSA-N 2 1 303.494 3.798 20 30 DHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173598289 1033783256 /nfs/dbraw/zinc/78/32/56/1033783256.db2.gz OOMUGALFNLJLJF-YBXZHIRMSA-N 2 1 303.494 3.798 20 30 DHEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)o1 ZINC000174324344 1033924246 /nfs/dbraw/zinc/92/42/46/1033924246.db2.gz ZPJBPNLJMOEWSS-UHFFFAOYSA-N 2 1 323.440 3.817 20 30 DHEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)o1 ZINC000174384645 1033927913 /nfs/dbraw/zinc/92/79/13/1033927913.db2.gz ZUXRZAGLUXZJBY-UHFFFAOYSA-N 2 1 323.440 3.817 20 30 DHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187715293 1034727147 /nfs/dbraw/zinc/72/71/47/1034727147.db2.gz YJCBYWOEAKKNQL-QKYXUNIQSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187715293 1034727160 /nfs/dbraw/zinc/72/71/60/1034727160.db2.gz YJCBYWOEAKKNQL-QKYXUNIQSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187715293 1034727173 /nfs/dbraw/zinc/72/71/73/1034727173.db2.gz YJCBYWOEAKKNQL-QKYXUNIQSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187715293 1034727185 /nfs/dbraw/zinc/72/71/85/1034727185.db2.gz YJCBYWOEAKKNQL-QKYXUNIQSA-N 2 1 309.457 3.568 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000539837064 1035895235 /nfs/dbraw/zinc/89/52/35/1035895235.db2.gz XURQIOAHZHSMMF-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000539837064 1035895258 /nfs/dbraw/zinc/89/52/58/1035895258.db2.gz XURQIOAHZHSMMF-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000539837064 1035895280 /nfs/dbraw/zinc/89/52/80/1035895280.db2.gz XURQIOAHZHSMMF-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000539837064 1035895304 /nfs/dbraw/zinc/89/53/04/1035895304.db2.gz XURQIOAHZHSMMF-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](CCC(C)(C)C#N)CC1)CC1CC1 ZINC000540715755 1036137313 /nfs/dbraw/zinc/13/73/13/1036137313.db2.gz XHPJLPCDABFSCG-UHFFFAOYSA-N 2 1 305.510 3.760 20 30 DHEDMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000591571027 1038936024 /nfs/dbraw/zinc/93/60/24/1038936024.db2.gz WGUBYYWATICDBN-YSSFQJQWSA-N 2 1 305.425 3.702 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493896 1039795554 /nfs/dbraw/zinc/79/55/54/1039795554.db2.gz URVGHHHNUTXVDU-KRWDZBQOSA-N 2 1 313.489 3.842 20 30 DHEDMP C=CCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000595058655 1040023377 /nfs/dbraw/zinc/02/33/77/1040023377.db2.gz IHJJZKGGDYZQRK-PKOBYXMFSA-N 2 1 318.530 3.796 20 30 DHEDMP C[N@H+](CCC[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000575222211 1040189371 /nfs/dbraw/zinc/18/93/71/1040189371.db2.gz VGWMLWIBATWHLU-FQEVSTJZSA-N 2 1 311.473 3.790 20 30 DHEDMP C[N@@H+](CCC[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000575222211 1040189389 /nfs/dbraw/zinc/18/93/89/1040189389.db2.gz VGWMLWIBATWHLU-FQEVSTJZSA-N 2 1 311.473 3.790 20 30 DHEDMP C[N@H+](CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000575222212 1040190158 /nfs/dbraw/zinc/19/01/58/1040190158.db2.gz VGWMLWIBATWHLU-HXUWFJFHSA-N 2 1 311.473 3.790 20 30 DHEDMP C[N@@H+](CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000575222212 1040190168 /nfs/dbraw/zinc/19/01/68/1040190168.db2.gz VGWMLWIBATWHLU-HXUWFJFHSA-N 2 1 311.473 3.790 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012024 1040624998 /nfs/dbraw/zinc/62/49/98/1040624998.db2.gz KNUKPDLCEHCTMI-LPHOPBHVSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012024 1040625002 /nfs/dbraw/zinc/62/50/02/1040625002.db2.gz KNUKPDLCEHCTMI-LPHOPBHVSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012024 1040625010 /nfs/dbraw/zinc/62/50/10/1040625010.db2.gz KNUKPDLCEHCTMI-LPHOPBHVSA-N 2 1 311.473 3.546 20 30 DHEDMP C[C@@H](CCC#N)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000602458488 1041043075 /nfs/dbraw/zinc/04/30/75/1041043075.db2.gz MNXVSOIUHLATIK-SFHVURJKSA-N 2 1 313.489 3.770 20 30 DHEDMP N#CC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000602524686 1041087354 /nfs/dbraw/zinc/08/73/54/1041087354.db2.gz OXLHHAOYXZGBEJ-AQFXKWCLSA-N 2 1 317.502 3.632 20 30 DHEDMP N#CC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000602524686 1041087373 /nfs/dbraw/zinc/08/73/73/1041087373.db2.gz OXLHHAOYXZGBEJ-AQFXKWCLSA-N 2 1 317.502 3.632 20 30 DHEDMP C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602590065 1041105936 /nfs/dbraw/zinc/10/59/36/1041105936.db2.gz VSSVELDIJXUAGL-YMPIPDKKSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442708813 335035125 /nfs/dbraw/zinc/03/51/25/335035125.db2.gz LPOWHLLZNFPLJF-UWVAXJGDSA-N 2 1 311.473 3.700 20 30 DHEDMP CC1CCC([NH+]2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CC1 ZINC000363384008 331688146 /nfs/dbraw/zinc/68/81/46/331688146.db2.gz DZAYRMKMYKIWTF-UHFFFAOYSA-N 2 1 311.473 3.691 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000152973237 332332376 /nfs/dbraw/zinc/33/23/76/332332376.db2.gz LLOHCDDCOYFGBG-CQSZACIVSA-N 2 1 306.425 3.525 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(F)cc2)CC1 ZINC000153052670 332339854 /nfs/dbraw/zinc/33/98/54/332339854.db2.gz JWDVKMWCEQSQJR-MRXNPFEDSA-N 2 1 304.453 3.777 20 30 DHEDMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000365235815 333399523 /nfs/dbraw/zinc/39/95/23/333399523.db2.gz YZBXVDSJNRVEKY-LJQANCHMSA-N 2 1 307.441 3.523 20 30 DHEDMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000365235815 333399525 /nfs/dbraw/zinc/39/95/25/333399525.db2.gz YZBXVDSJNRVEKY-LJQANCHMSA-N 2 1 307.441 3.523 20 30 DHEDMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271073725 334017904 /nfs/dbraw/zinc/01/79/04/334017904.db2.gz MWQKBPVOYOMMDQ-UHFFFAOYSA-N 2 1 322.456 3.575 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000271067828 334017930 /nfs/dbraw/zinc/01/79/30/334017930.db2.gz KCJDDSVMDSISOX-YZDRJCRTSA-N 2 1 323.484 3.607 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000271067828 334017931 /nfs/dbraw/zinc/01/79/31/334017931.db2.gz KCJDDSVMDSISOX-YZDRJCRTSA-N 2 1 323.484 3.607 20 30 DHEDMP C=CCOc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000535082870 334366640 /nfs/dbraw/zinc/36/66/40/334366640.db2.gz OMCNYJBRSOXRHD-UHFFFAOYSA-N 2 1 316.489 3.804 20 30 DHEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000532563565 336255667 /nfs/dbraw/zinc/25/56/67/336255667.db2.gz DFZPKVVLMVODRQ-MJGOQNOKSA-N 2 1 317.452 3.688 20 30 DHEDMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872527 336278532 /nfs/dbraw/zinc/27/85/32/336278532.db2.gz QHXLHDMJXMHGTJ-KRWDZBQOSA-N 2 1 307.441 3.731 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c3ccccc23)CC1 ZINC000106245511 336389127 /nfs/dbraw/zinc/38/91/27/336389127.db2.gz SITASTUJVNLWRL-UHFFFAOYSA-N 2 1 324.468 3.979 20 30 DHEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360656759 336717699 /nfs/dbraw/zinc/71/76/99/336717699.db2.gz KGXWGTVCDWXZLR-YWZLYKJASA-N 2 1 322.456 3.757 20 30 DHEDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1cccs1 ZINC000192899033 337308033 /nfs/dbraw/zinc/30/80/33/337308033.db2.gz BVLIUEBBWDVHHY-BVIKNXMNSA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1cccs1 ZINC000192899033 337308034 /nfs/dbraw/zinc/30/80/34/337308034.db2.gz BVLIUEBBWDVHHY-BVIKNXMNSA-N 2 1 317.502 3.803 20 30 DHEDMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000119950864 337395236 /nfs/dbraw/zinc/39/52/36/337395236.db2.gz HQAPHFRLUOJHRS-QGZVFWFLSA-N 2 1 319.452 3.873 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273557701 337655551 /nfs/dbraw/zinc/65/55/51/337655551.db2.gz HFKCOVDYHPDMNI-INIZCTEOSA-N 2 1 302.462 3.700 20 30 DHEDMP C=C(C)C[NH+](C)Cc1cc(C[N@@H+](C)CC(=C)C)cc(OC)c1 ZINC000432853888 338170824 /nfs/dbraw/zinc/17/08/24/338170824.db2.gz LJNNHYPFVUHYOT-UHFFFAOYSA-N 2 1 302.462 3.711 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472062781 339361752 /nfs/dbraw/zinc/36/17/52/339361752.db2.gz LNHCUVYCQJQBSS-UHFFFAOYSA-N 2 1 311.473 3.915 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510730702 340308514 /nfs/dbraw/zinc/30/85/14/340308514.db2.gz GJPZZSDYSZZYEK-HNNXBMFYSA-N 2 1 322.443 3.916 20 30 DHEDMP C=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000303220474 340314001 /nfs/dbraw/zinc/31/40/01/340314001.db2.gz SUBYOVUKAJJBOL-UHFFFAOYSA-N 2 1 306.453 3.954 20 30 DHEDMP C=CC[NH+]1CCC([NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513506564 340411338 /nfs/dbraw/zinc/41/13/38/340411338.db2.gz RDCOMZWGGLQBAE-SQFISAMPSA-N 2 1 304.865 3.983 20 30 DHEDMP C=C(C)CN1CCC([NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000133106371 341154871 /nfs/dbraw/zinc/15/48/71/341154871.db2.gz YCQRPHYGBXQZJW-UHFFFAOYSA-N 2 1 305.491 3.541 20 30 DHEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000180221285 524924359 /nfs/dbraw/zinc/92/43/59/524924359.db2.gz CRLWNFHPVLSASE-OXJNMPFZSA-N 2 1 319.452 3.798 20 30 DHEDMP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000931222631 1032075037 /nfs/dbraw/zinc/07/50/37/1032075037.db2.gz BMXNVLCBEJVVBY-PLACYPQZSA-N 2 1 323.484 3.523 20 30 DHEDMP C[C@@H](CC[NH2+]CC(C)(C)CCC#N)[N@@H+](C)Cc1ccccc1 ZINC000080206522 1013909534 /nfs/dbraw/zinc/90/95/34/1013909534.db2.gz FQCPGKCWGCCVQG-KRWDZBQOSA-N 2 1 301.478 3.817 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413614 1014611103 /nfs/dbraw/zinc/61/11/03/1014611103.db2.gz UXNVFKDEIRPUDW-SJLPKXTDSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413614 1014611108 /nfs/dbraw/zinc/61/11/08/1014611108.db2.gz UXNVFKDEIRPUDW-SJLPKXTDSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413614 1014611115 /nfs/dbraw/zinc/61/11/15/1014611115.db2.gz UXNVFKDEIRPUDW-SJLPKXTDSA-N 2 1 313.489 3.792 20 30 DHEDMP CCc1ccc(NC(=[NH2+])NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000104178415 1016229795 /nfs/dbraw/zinc/22/97/95/1016229795.db2.gz OQLIPWKUHGQWQA-UHFFFAOYSA-N 2 1 324.472 3.628 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158261395 1016718395 /nfs/dbraw/zinc/71/83/95/1016718395.db2.gz BUBUESLLAFXUQC-HOTGVXAUSA-N 2 1 322.880 3.810 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065511 1017231127 /nfs/dbraw/zinc/23/11/27/1017231127.db2.gz XBRHIXMSESPCCW-JTJHWIPRSA-N 2 1 310.485 3.773 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065511 1017231135 /nfs/dbraw/zinc/23/11/35/1017231135.db2.gz XBRHIXMSESPCCW-JTJHWIPRSA-N 2 1 310.485 3.773 20 30 DHEDMP C#C[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065511 1017231142 /nfs/dbraw/zinc/23/11/42/1017231142.db2.gz XBRHIXMSESPCCW-JTJHWIPRSA-N 2 1 310.485 3.773 20 30 DHEDMP C#C[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065511 1017231147 /nfs/dbraw/zinc/23/11/47/1017231147.db2.gz XBRHIXMSESPCCW-JTJHWIPRSA-N 2 1 310.485 3.773 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000424319611 1011976789 /nfs/dbraw/zinc/97/67/89/1011976789.db2.gz FFXIGINLSKGHMU-IFLJBQAJSA-N 2 1 323.484 3.711 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424324903 1011982007 /nfs/dbraw/zinc/98/20/07/1011982007.db2.gz KKEGMVQRNMBLQN-CRSSMBPESA-N 2 1 323.484 3.569 20 30 DHEDMP C[C@@]12C[NH+](CCCCC#N)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705688868 1018672830 /nfs/dbraw/zinc/67/28/30/1018672830.db2.gz XLARCHIEHLIEBP-PMACEKPBSA-N 2 1 311.473 3.524 20 30 DHEDMP Cc1nccn1CCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412635 1020340223 /nfs/dbraw/zinc/34/02/23/1020340223.db2.gz KFPPAIZLJHECOT-UHFFFAOYSA-N 2 1 308.429 3.508 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412635 1020340235 /nfs/dbraw/zinc/34/02/35/1020340235.db2.gz KFPPAIZLJHECOT-UHFFFAOYSA-N 2 1 308.429 3.508 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412635 1020340246 /nfs/dbraw/zinc/34/02/46/1020340246.db2.gz KFPPAIZLJHECOT-UHFFFAOYSA-N 2 1 308.429 3.508 20 30 DHEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000065981962 1020622881 /nfs/dbraw/zinc/62/28/81/1020622881.db2.gz VDGVTKMNNFXIDE-UHFFFAOYSA-N 2 1 311.473 3.693 20 30 DHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000613254661 1020874958 /nfs/dbraw/zinc/87/49/58/1020874958.db2.gz QACXFZYNWLIZJX-QRVBRYPASA-N 2 1 303.494 3.703 20 30 DHEDMP C#CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781424820 1021366426 /nfs/dbraw/zinc/36/64/26/1021366426.db2.gz ZBGLORPSDIVFRH-PCCBWWKXSA-N 2 1 310.485 3.680 20 30 DHEDMP C=CCCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000850352131 1021482723 /nfs/dbraw/zinc/48/27/23/1021482723.db2.gz MNXDIJAABBRZGH-UHFFFAOYSA-N 2 1 307.507 3.821 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065649 1032987845 /nfs/dbraw/zinc/98/78/45/1032987845.db2.gz PTMJWCHESGVYMU-OWZKRDHZSA-N 2 1 311.473 3.856 20 30 DHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136211 1021917857 /nfs/dbraw/zinc/91/78/57/1021917857.db2.gz ZFPGAUMGNJBIBU-PXNSSMCTSA-N 2 1 319.452 3.731 20 30 DHEDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136245 1021923755 /nfs/dbraw/zinc/92/37/55/1021923755.db2.gz ZFPGAUMGNJBIBU-YLJYHZDGSA-N 2 1 319.452 3.731 20 30 DHEDMP C=CC[NH+]1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278833506 1023060939 /nfs/dbraw/zinc/06/09/39/1023060939.db2.gz IXIWMWYHWKFYES-UHFFFAOYSA-N 2 1 310.844 3.652 20 30 DHEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001172486902 1033197475 /nfs/dbraw/zinc/19/74/75/1033197475.db2.gz IJGOTSZFGKWIJW-PKOBYXMFSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001172486902 1033197485 /nfs/dbraw/zinc/19/74/85/1033197485.db2.gz IJGOTSZFGKWIJW-PKOBYXMFSA-N 2 1 313.489 3.959 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453210397 1024403547 /nfs/dbraw/zinc/40/35/47/1024403547.db2.gz JLUTZBVWNCRFRX-AQNXPRMDSA-N 2 1 323.484 3.713 20 30 DHEDMP C=CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1Cl ZINC000066973470 1024477212 /nfs/dbraw/zinc/47/72/12/1024477212.db2.gz RCGOJHTYSDTDNN-UHFFFAOYSA-N 2 1 319.836 3.590 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353384898 1025045754 /nfs/dbraw/zinc/04/57/54/1025045754.db2.gz LSBUPTUQSQQKOL-OXQOHEQNSA-N 2 1 311.473 3.790 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353384894 1025047467 /nfs/dbraw/zinc/04/74/67/1025047467.db2.gz LSBUPTUQSQQKOL-JXFKEZNVSA-N 2 1 311.473 3.790 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175412 1025810174 /nfs/dbraw/zinc/81/01/74/1025810174.db2.gz MFAPOHDVWMMXBA-QFBILLFUSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175412 1025810191 /nfs/dbraw/zinc/81/01/91/1025810191.db2.gz MFAPOHDVWMMXBA-QFBILLFUSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175412 1025810209 /nfs/dbraw/zinc/81/02/09/1025810209.db2.gz MFAPOHDVWMMXBA-QFBILLFUSA-N 2 1 313.489 3.650 20 30 DHEDMP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000809609485 1026563239 /nfs/dbraw/zinc/56/32/39/1026563239.db2.gz FFDWUWQVSAQRKV-UHFFFAOYSA-N 2 1 306.453 3.798 20 30 DHEDMP CC1([NH+]2CCCC2)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931464990 1027134192 /nfs/dbraw/zinc/13/41/92/1027134192.db2.gz NFFPPFPMDBYDAX-UHFFFAOYSA-N 2 1 303.494 3.801 20 30 DHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271940587 1027182077 /nfs/dbraw/zinc/18/20/77/1027182077.db2.gz OORKSGDQNQMHOW-CVEARBPZSA-N 2 1 317.452 3.860 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)CC(C)C ZINC000562763708 1027594943 /nfs/dbraw/zinc/59/49/43/1027594943.db2.gz OKPSUXQIIMXROQ-MOPGFXCFSA-N 2 1 305.510 3.759 20 30 DHEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614652 1027777242 /nfs/dbraw/zinc/77/72/42/1027777242.db2.gz UTFVRKPWNLCLHW-FQEVSTJZSA-N 2 1 311.473 3.612 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297575937 1027821028 /nfs/dbraw/zinc/82/10/28/1027821028.db2.gz GVMOIEUFRULLLK-INIZCTEOSA-N 2 1 319.880 3.743 20 30 DHEDMP CC(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCC(C)CC1 ZINC000449077985 1028342031 /nfs/dbraw/zinc/34/20/31/1028342031.db2.gz LGGAVMATZRLYGI-XBMUEBEBSA-N 2 1 305.510 3.805 20 30 DHEDMP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449236520 1028457636 /nfs/dbraw/zinc/45/76/36/1028457636.db2.gz YEVYGAPWQCXIPY-XNYRCJLNSA-N 2 1 303.494 3.701 20 30 DHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000533448777 1030357875 /nfs/dbraw/zinc/35/78/75/1030357875.db2.gz HUEGBMGRVOLEQW-IYBDPMFKSA-N 2 1 317.452 3.545 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)CC1CC1 ZINC000559147040 1031134876 /nfs/dbraw/zinc/13/48/76/1031134876.db2.gz RFELCKQZYOFMRQ-OALUTQOASA-N 2 1 303.494 3.513 20 30 DHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360828764 1031579055 /nfs/dbraw/zinc/57/90/55/1031579055.db2.gz AHSDZUYCNOEMOR-NSHGMRRFSA-N 2 1 309.457 3.542 20 30 DHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000360872101 1031595995 /nfs/dbraw/zinc/59/59/95/1031595995.db2.gz LVHGTTPEGUZZFQ-GZNCHQMQSA-N 2 1 323.484 3.932 20 30 DHEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001171192890 1031635344 /nfs/dbraw/zinc/63/53/44/1031635344.db2.gz QLFMBKHHXQVRJH-ZWKOTPCHSA-N 2 1 321.468 3.586 20 30 DHEDMP Cc1cc(C)cc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000104169914 1033653795 /nfs/dbraw/zinc/65/37/95/1033653795.db2.gz KNVLIHKLJQUGLB-OAHLLOKOSA-N 2 1 316.493 3.542 20 30 DHEDMP N#CCC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001173333703 1033691894 /nfs/dbraw/zinc/69/18/94/1033691894.db2.gz LXLKVFACAGNYGF-KVZIAJEVSA-N 2 1 303.494 3.703 20 30 DHEDMP N#CCC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001173333703 1033691898 /nfs/dbraw/zinc/69/18/98/1033691898.db2.gz LXLKVFACAGNYGF-KVZIAJEVSA-N 2 1 303.494 3.703 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190977697 1035650956 /nfs/dbraw/zinc/65/09/56/1035650956.db2.gz LSUFPOBMQKYDMM-UHFFFAOYSA-N 2 1 314.473 3.606 20 30 DHEDMP C=CCOc1ccccc1CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000539818366 1035876860 /nfs/dbraw/zinc/87/68/60/1035876860.db2.gz XHBDHSMJUYBTPD-SJLPKXTDSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000539817765 1035877214 /nfs/dbraw/zinc/87/72/14/1035877214.db2.gz NERVYZOYRKVPIA-FUHWJXTLSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000539817765 1035877231 /nfs/dbraw/zinc/87/72/31/1035877231.db2.gz NERVYZOYRKVPIA-FUHWJXTLSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000539817765 1035877252 /nfs/dbraw/zinc/87/72/52/1035877252.db2.gz NERVYZOYRKVPIA-FUHWJXTLSA-N 2 1 302.462 3.556 20 30 DHEDMP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236931 1036529539 /nfs/dbraw/zinc/52/95/39/1036529539.db2.gz VRRAOXBYALIKFR-UWJYYQICSA-N 2 1 319.452 3.558 20 30 DHEDMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000488275945 1036944651 /nfs/dbraw/zinc/94/46/51/1036944651.db2.gz CFGYTWCTMMQECB-LPHOPBHVSA-N 2 1 311.473 3.609 20 30 DHEDMP C=CC[NH+]1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183703156 1037703864 /nfs/dbraw/zinc/70/38/64/1037703864.db2.gz PTZKGAKJJBCMIS-UHFFFAOYSA-N 2 1 304.400 3.595 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606568 1038475469 /nfs/dbraw/zinc/47/54/69/1038475469.db2.gz XUZHRVWZLLCPKV-ZBFHGGJFSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606568 1038475475 /nfs/dbraw/zinc/47/54/75/1038475475.db2.gz XUZHRVWZLLCPKV-ZBFHGGJFSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606568 1038475480 /nfs/dbraw/zinc/47/54/80/1038475480.db2.gz XUZHRVWZLLCPKV-ZBFHGGJFSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606568 1038475488 /nfs/dbraw/zinc/47/54/88/1038475488.db2.gz XUZHRVWZLLCPKV-ZBFHGGJFSA-N 2 1 305.491 3.503 20 30 DHEDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094358 1040305833 /nfs/dbraw/zinc/30/58/33/1040305833.db2.gz LCNBEHRMFCGDPZ-QUCCMNQESA-N 2 1 311.473 3.721 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)CCC#N)CC1)CC1CC1 ZINC000602504567 1041071095 /nfs/dbraw/zinc/07/10/95/1041071095.db2.gz HBDZUMHQVCOZHF-KRWDZBQOSA-N 2 1 305.510 3.760 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000602552145 1041093330 /nfs/dbraw/zinc/09/33/30/1041093330.db2.gz UBTFDOPNOXLOMG-HLLBOEOZSA-N 2 1 305.491 3.660 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000602552145 1041093351 /nfs/dbraw/zinc/09/33/51/1041093351.db2.gz UBTFDOPNOXLOMG-HLLBOEOZSA-N 2 1 305.491 3.660 20 30 DHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285559285 131181789 /nfs/dbraw/zinc/18/17/89/131181789.db2.gz HDIOKGGAEXIZFI-INIZCTEOSA-N 2 1 311.429 3.666 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000152969503 332331910 /nfs/dbraw/zinc/33/19/10/332331910.db2.gz HFFXAWYZIOVHHJ-QGZVFWFLSA-N 2 1 302.487 3.854 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000153023253 332339307 /nfs/dbraw/zinc/33/93/07/332339307.db2.gz LENOBYGWMCEZMG-CQSZACIVSA-N 2 1 315.486 3.987 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000153010298 332339361 /nfs/dbraw/zinc/33/93/61/332339361.db2.gz NOBCHJXJSIKDGN-DLBZAZTESA-N 2 1 316.489 3.817 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000153030900 332339441 /nfs/dbraw/zinc/33/94/41/332339441.db2.gz VUHACLKGBPHRSR-FQEVSTJZSA-N 2 1 314.473 3.703 20 30 DHEDMP N#CCCCC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000183137809 333183164 /nfs/dbraw/zinc/18/31/64/333183164.db2.gz QCXCIBGJEMDRGT-ZCNNSNEGSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000185850867 333215123 /nfs/dbraw/zinc/21/51/23/333215123.db2.gz WITMSFHWGMOWOB-IJXRJRJASA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000185850867 333215124 /nfs/dbraw/zinc/21/51/24/333215124.db2.gz WITMSFHWGMOWOB-IJXRJRJASA-N 2 1 311.473 3.711 20 30 DHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC(C)(C)CCC#N ZINC000289469046 334165548 /nfs/dbraw/zinc/16/55/48/334165548.db2.gz PGVPPAPINVEWOV-UHFFFAOYSA-N 2 1 301.478 3.900 20 30 DHEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093001 335374325 /nfs/dbraw/zinc/37/43/25/335374325.db2.gz ZTFOATRZEUVCLE-GJZGRUSLSA-N 2 1 303.425 3.612 20 30 DHEDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093001 335374326 /nfs/dbraw/zinc/37/43/26/335374326.db2.gz ZTFOATRZEUVCLE-GJZGRUSLSA-N 2 1 303.425 3.612 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000106246003 336389117 /nfs/dbraw/zinc/38/91/17/336389117.db2.gz MDLUBOHZHUROJL-UHFFFAOYSA-N 2 1 323.278 3.579 20 30 DHEDMP C=CCCCC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000449223118 338603976 /nfs/dbraw/zinc/60/39/76/338603976.db2.gz JGILZXWSSCCZFD-HNNXBMFYSA-N 2 1 316.493 3.787 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510730703 340308467 /nfs/dbraw/zinc/30/84/67/340308467.db2.gz GJPZZSDYSZZYEK-OAHLLOKOSA-N 2 1 322.443 3.916 20 30 DHEDMP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000550794946 341323056 /nfs/dbraw/zinc/32/30/56/341323056.db2.gz NHZZTJFLPLLGQN-ZYKFHVCXSA-N 2 1 311.473 3.741 20 30 DHEDMP C[N@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000550794946 341323057 /nfs/dbraw/zinc/32/30/57/341323057.db2.gz NHZZTJFLPLLGQN-ZYKFHVCXSA-N 2 1 311.473 3.741 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772057 341356894 /nfs/dbraw/zinc/35/68/94/341356894.db2.gz IDUNOFBHQLAASM-LPHOPBHVSA-N 2 1 313.489 3.650 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000152943613 341513488 /nfs/dbraw/zinc/51/34/88/341513488.db2.gz OFCBJTDTHUPUDH-QGZVFWFLSA-N 2 1 300.490 3.983 20 30 DHEDMP C=CCCCCC[N@@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001209422833 1013256706 /nfs/dbraw/zinc/25/67/06/1013256706.db2.gz IWNGKWKYZKQXOU-LJQANCHMSA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001209422833 1013256711 /nfs/dbraw/zinc/25/67/11/1013256711.db2.gz IWNGKWKYZKQXOU-LJQANCHMSA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001209422833 1013256715 /nfs/dbraw/zinc/25/67/15/1013256715.db2.gz IWNGKWKYZKQXOU-LJQANCHMSA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001209422833 1013256718 /nfs/dbraw/zinc/25/67/18/1013256718.db2.gz IWNGKWKYZKQXOU-LJQANCHMSA-N 2 1 308.510 3.556 20 30 DHEDMP C=CCCCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001209422833 1013256729 /nfs/dbraw/zinc/25/67/29/1013256729.db2.gz IWNGKWKYZKQXOU-LJQANCHMSA-N 2 1 308.510 3.556 20 30 DHEDMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000151394946 1013672282 /nfs/dbraw/zinc/67/22/82/1013672282.db2.gz KNTMLNZTRIHKAR-UZLBHIALSA-N 2 1 311.473 3.691 20 30 DHEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000177562271 1013739532 /nfs/dbraw/zinc/73/95/32/1013739532.db2.gz SVYQGXLDMDLIER-KRWDZBQOSA-N 2 1 307.441 3.558 20 30 DHEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000177562271 1013739542 /nfs/dbraw/zinc/73/95/42/1013739542.db2.gz SVYQGXLDMDLIER-KRWDZBQOSA-N 2 1 307.441 3.558 20 30 DHEDMP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000931222632 1032074489 /nfs/dbraw/zinc/07/44/89/1032074489.db2.gz BMXNVLCBEJVVBY-UWHLTILDSA-N 2 1 323.484 3.523 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000442721145 1014723974 /nfs/dbraw/zinc/72/39/74/1014723974.db2.gz UUPXUWHDQBHPST-LSTHTHJFSA-N 2 1 311.473 3.700 20 30 DHEDMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000346881594 1016611853 /nfs/dbraw/zinc/61/18/53/1016611853.db2.gz NZEYIRBAKSPSBE-GJZGRUSLSA-N 2 1 303.425 3.612 20 30 DHEDMP N#CCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159120724 1016873785 /nfs/dbraw/zinc/87/37/85/1016873785.db2.gz SPLUVZJGMHXQFY-PMACEKPBSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159120724 1016873798 /nfs/dbraw/zinc/87/37/98/1016873798.db2.gz SPLUVZJGMHXQFY-PMACEKPBSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159120724 1016873812 /nfs/dbraw/zinc/87/38/12/1016873812.db2.gz SPLUVZJGMHXQFY-PMACEKPBSA-N 2 1 311.473 3.667 20 30 DHEDMP C[NH+](C)C1CCC([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001168326624 1032287663 /nfs/dbraw/zinc/28/76/63/1032287663.db2.gz CPRAXZMQVOYPCJ-UHFFFAOYSA-N 2 1 319.880 3.928 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924984334 1012345770 /nfs/dbraw/zinc/34/57/70/1012345770.db2.gz RUKVAMYKBJPWMU-MRXNPFEDSA-N 2 1 316.489 3.605 20 30 DHEDMP C[NH+](CCCC(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174881650 1021006857 /nfs/dbraw/zinc/00/68/57/1021006857.db2.gz DSAOFIGSMSBJIE-LJQANCHMSA-N 2 1 313.489 3.770 20 30 DHEDMP C[C@H]1C[C@H]([NH+](C)CCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000131779983 1032948784 /nfs/dbraw/zinc/94/87/84/1032948784.db2.gz ROXBJPRQNQBNJS-PKOBYXMFSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H]1C[C@H]([NH+](C)CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000131779983 1032948794 /nfs/dbraw/zinc/94/87/94/1032948794.db2.gz ROXBJPRQNQBNJS-PKOBYXMFSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H]1C[C@H]([N@H+](C)CCC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000131779983 1032948800 /nfs/dbraw/zinc/94/88/00/1032948800.db2.gz ROXBJPRQNQBNJS-PKOBYXMFSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000131779983 1032948810 /nfs/dbraw/zinc/94/88/10/1032948810.db2.gz ROXBJPRQNQBNJS-PKOBYXMFSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000274855529 1022577054 /nfs/dbraw/zinc/57/70/54/1022577054.db2.gz SBEJQUZHFMXJJY-PKOBYXMFSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000274855529 1022577061 /nfs/dbraw/zinc/57/70/61/1022577061.db2.gz SBEJQUZHFMXJJY-PKOBYXMFSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172481900 1033195658 /nfs/dbraw/zinc/19/56/58/1033195658.db2.gz ZDDCGTDNLCZVGW-RSPOEFSDSA-N 2 1 311.473 3.854 20 30 DHEDMP C[C@@H](CCCC#N)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001172490538 1033223757 /nfs/dbraw/zinc/22/37/57/1033223757.db2.gz HNEHSZMWNYXNKR-HBFSDRIKSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001172497584 1033230617 /nfs/dbraw/zinc/23/06/17/1033230617.db2.gz DKAKBXSPQYQBFK-QGZVFWFLSA-N 2 1 315.461 3.650 20 30 DHEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001172497579 1033230669 /nfs/dbraw/zinc/23/06/69/1033230669.db2.gz DKAKBXSPQYQBFK-KRWDZBQOSA-N 2 1 315.461 3.650 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000350561126 1024827605 /nfs/dbraw/zinc/82/76/05/1024827605.db2.gz RIPYSVYCAGXSBZ-OMYXNUHHSA-N 2 1 323.484 3.607 20 30 DHEDMP N#CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353669506 1025193363 /nfs/dbraw/zinc/19/33/63/1025193363.db2.gz CPLVAENJDRGJSF-SLFFLAALSA-N 2 1 311.473 3.571 20 30 DHEDMP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000353681681 1025194891 /nfs/dbraw/zinc/19/48/91/1025194891.db2.gz WTGWCYHZGGACMH-KLHJMIIUSA-N 2 1 323.484 3.788 20 30 DHEDMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000572428642 1025326078 /nfs/dbraw/zinc/32/60/78/1025326078.db2.gz GSDBKFWJSCUBIB-RTWAWAEBSA-N 2 1 319.452 3.526 20 30 DHEDMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC000572428642 1025326089 /nfs/dbraw/zinc/32/60/89/1025326089.db2.gz GSDBKFWJSCUBIB-RTWAWAEBSA-N 2 1 319.452 3.526 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169071 1025793084 /nfs/dbraw/zinc/79/30/84/1025793084.db2.gz QNPVNOJMLYXGKG-VQIMIIECSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169071 1025793098 /nfs/dbraw/zinc/79/30/98/1025793098.db2.gz QNPVNOJMLYXGKG-VQIMIIECSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169071 1025793108 /nfs/dbraw/zinc/79/31/08/1025793108.db2.gz QNPVNOJMLYXGKG-VQIMIIECSA-N 2 1 313.489 3.792 20 30 DHEDMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193665 1026705672 /nfs/dbraw/zinc/70/56/72/1026705672.db2.gz PFYIDFYOESMIAI-JTDSTZFVSA-N 2 1 311.473 3.862 20 30 DHEDMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000600860367 1027872911 /nfs/dbraw/zinc/87/29/11/1027872911.db2.gz VOLFFAITRJLWJM-UHFFFAOYSA-N 2 1 311.473 3.548 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449125385 1028377807 /nfs/dbraw/zinc/37/78/07/1028377807.db2.gz SBTZSMMWNNVIPY-MRXNPFEDSA-N 2 1 312.457 3.994 20 30 DHEDMP C[C@H](CC[NH2+]C1CCC(C)(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000449173405 1028415654 /nfs/dbraw/zinc/41/56/54/1028415654.db2.gz GAYUGTLKTNFDCA-QHGAOEGBSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449236517 1028457116 /nfs/dbraw/zinc/45/71/16/1028457116.db2.gz YEVYGAPWQCXIPY-AAILRHKWSA-N 2 1 303.494 3.701 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000815651737 1028594297 /nfs/dbraw/zinc/59/42/97/1028594297.db2.gz BTCBFIUOLSSMFI-HNNXBMFYSA-N 2 1 311.256 3.525 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000815651737 1028594304 /nfs/dbraw/zinc/59/43/04/1028594304.db2.gz BTCBFIUOLSSMFI-HNNXBMFYSA-N 2 1 311.256 3.525 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000818614961 1029419370 /nfs/dbraw/zinc/41/93/70/1029419370.db2.gz JYGNASFAPOGGRM-IAOVAPTHSA-N 2 1 308.853 3.738 20 30 DHEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000822526299 1030046702 /nfs/dbraw/zinc/04/67/02/1030046702.db2.gz SEABQIDFRRGJPB-INIZCTEOSA-N 2 1 307.441 3.813 20 30 DHEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1[O-] ZINC000866231953 1030167953 /nfs/dbraw/zinc/16/79/53/1030167953.db2.gz AVCYQSWRRSVZOK-HZPDHXFCSA-N 2 1 315.461 3.569 20 30 DHEDMP N#CC1(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000926627414 1030827956 /nfs/dbraw/zinc/82/79/56/1030827956.db2.gz OOHWZTKLZIGRJN-IHWFROFDSA-N 2 1 323.484 3.856 20 30 DHEDMP CCCCCCCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246488814 1030905722 /nfs/dbraw/zinc/90/57/22/1030905722.db2.gz LNYNVDDGUKZIHM-RBUKOAKNSA-N 2 1 311.558 3.837 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929295421 1031487132 /nfs/dbraw/zinc/48/71/32/1031487132.db2.gz HNGPNRBDJKPTSC-UHFFFAOYSA-N 2 1 305.510 3.760 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929644973 1031565132 /nfs/dbraw/zinc/56/51/32/1031565132.db2.gz YYWQXBRMUCQGCJ-OAHAVBBTSA-N 2 1 317.521 3.903 20 30 DHEDMP CCCCCCCC[C@H](CCC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001173310048 1033661839 /nfs/dbraw/zinc/66/18/39/1033661839.db2.gz OFWQJVAGHKOFKW-VQTJNVASSA-N 2 1 323.569 3.918 20 30 DHEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472981 1034344044 /nfs/dbraw/zinc/34/40/44/1034344044.db2.gz KMDSDKYSLMMYLM-UHFFFAOYSA-N 2 1 311.473 3.548 20 30 DHEDMP C=CCOc1ccccc1CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000539818367 1035873785 /nfs/dbraw/zinc/87/37/85/1035873785.db2.gz XHBDHSMJUYBTPD-WMZOPIPTSA-N 2 1 302.462 3.556 20 30 DHEDMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000540707509 1036133312 /nfs/dbraw/zinc/13/33/12/1036133312.db2.gz GIGLEFNDXVLTRI-OAHLLOKOSA-N 2 1 305.441 3.857 20 30 DHEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC001199336622 1037242033 /nfs/dbraw/zinc/24/20/33/1037242033.db2.gz SWWDORMHFZGJRR-GOSISDBHSA-N 2 1 313.489 3.919 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000152961365 1037666285 /nfs/dbraw/zinc/66/62/85/1037666285.db2.gz DJAJPYODRNELLO-QGZVFWFLSA-N 2 1 315.505 3.834 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606566 1038475367 /nfs/dbraw/zinc/47/53/67/1038475367.db2.gz XUZHRVWZLLCPKV-GOEBONIOSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606566 1038475372 /nfs/dbraw/zinc/47/53/72/1038475372.db2.gz XUZHRVWZLLCPKV-GOEBONIOSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606566 1038475386 /nfs/dbraw/zinc/47/53/86/1038475386.db2.gz XUZHRVWZLLCPKV-GOEBONIOSA-N 2 1 305.491 3.503 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606566 1038475391 /nfs/dbraw/zinc/47/53/91/1038475391.db2.gz XUZHRVWZLLCPKV-GOEBONIOSA-N 2 1 305.491 3.503 20 30 DHEDMP CC(C)(C#N)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000594525103 1039831150 /nfs/dbraw/zinc/83/11/50/1039831150.db2.gz RKTFTBFNNSOIGU-UHFFFAOYSA-N 2 1 311.473 3.594 20 30 DHEDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594942664 1039956894 /nfs/dbraw/zinc/95/68/94/1039956894.db2.gz YKZHPAOWDMDECE-UHFFFAOYSA-N 2 1 313.489 3.840 20 30 DHEDMP C=CCCSCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595060182 1040026165 /nfs/dbraw/zinc/02/61/65/1040026165.db2.gz UDGVHCCCJRAYSB-HKUYNNGSSA-N 2 1 318.530 3.796 20 30 DHEDMP C[C@H](CCC#N)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000602474809 1041039042 /nfs/dbraw/zinc/03/90/42/1041039042.db2.gz NZVVLKZRAJBQSP-GGPKGHCWSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000602474809 1041039055 /nfs/dbraw/zinc/03/90/55/1041039055.db2.gz NZVVLKZRAJBQSP-GGPKGHCWSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602474809 1041039068 /nfs/dbraw/zinc/03/90/68/1041039068.db2.gz NZVVLKZRAJBQSP-GGPKGHCWSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602474809 1041039076 /nfs/dbraw/zinc/03/90/76/1041039076.db2.gz NZVVLKZRAJBQSP-GGPKGHCWSA-N 2 1 313.489 3.911 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602546615 1041087686 /nfs/dbraw/zinc/08/76/86/1041087686.db2.gz VTLGVESUPQFEEO-MJGOQNOKSA-N 2 1 316.514 3.863 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602546615 1041087702 /nfs/dbraw/zinc/08/77/02/1041087702.db2.gz VTLGVESUPQFEEO-MJGOQNOKSA-N 2 1 316.514 3.863 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000602565544 1041100580 /nfs/dbraw/zinc/10/05/80/1041100580.db2.gz RZFFPYDYUJOUDG-OQUMVOOASA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000602565544 1041100590 /nfs/dbraw/zinc/10/05/90/1041100590.db2.gz RZFFPYDYUJOUDG-OQUMVOOASA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602660270 1041144387 /nfs/dbraw/zinc/14/43/87/1041144387.db2.gz BHPYMBDACJGGEI-AZUAARDMSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602660270 1041144391 /nfs/dbraw/zinc/14/43/91/1041144391.db2.gz BHPYMBDACJGGEI-AZUAARDMSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602660270 1041144400 /nfs/dbraw/zinc/14/44/00/1041144400.db2.gz BHPYMBDACJGGEI-AZUAARDMSA-N 2 1 311.473 3.524 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C)cc2O)CC1 ZINC000280193653 334961034 /nfs/dbraw/zinc/96/10/34/334961034.db2.gz SJOWQPVCESRJEX-SFHVURJKSA-N 2 1 302.462 3.782 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284299256 335011055 /nfs/dbraw/zinc/01/10/55/335011055.db2.gz YONVVUAVAPYPGV-INIZCTEOSA-N 2 1 302.462 3.700 20 30 DHEDMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 ZINC000518532813 332074831 /nfs/dbraw/zinc/07/48/31/332074831.db2.gz DCSCVCTWPNNHOA-SFTDATJTSA-N 2 1 319.452 3.678 20 30 DHEDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@H]1c1ccccc1 ZINC000518532813 332074832 /nfs/dbraw/zinc/07/48/32/332074832.db2.gz DCSCVCTWPNNHOA-SFTDATJTSA-N 2 1 319.452 3.678 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000152986103 332332351 /nfs/dbraw/zinc/33/23/51/332332351.db2.gz NJBXKARPVFLARW-AWEZNQCLSA-N 2 1 324.415 3.979 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccccc2F)CC1 ZINC000152993604 332333517 /nfs/dbraw/zinc/33/35/17/332333517.db2.gz BUQHGRKRVLVUNK-MRXNPFEDSA-N 2 1 304.453 3.777 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000152978009 332338302 /nfs/dbraw/zinc/33/83/02/332338302.db2.gz NDJJIYDJHWWWJK-KRWDZBQOSA-N 2 1 302.462 3.923 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccccc2OC)CC1 ZINC000153035642 332342471 /nfs/dbraw/zinc/34/24/71/332342471.db2.gz LDULKYZRYBSVMV-GOSISDBHSA-N 2 1 302.462 3.776 20 30 DHEDMP CC(C)(CCC#N)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000174266218 333084265 /nfs/dbraw/zinc/08/42/65/333084265.db2.gz BFVKKYNXGCYZIB-UHFFFAOYSA-N 2 1 313.489 3.613 20 30 DHEDMP C=CCC[C@@H](CC)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000462112575 333140803 /nfs/dbraw/zinc/14/08/03/333140803.db2.gz SHOCAODAUXJUOQ-QGZVFWFLSA-N 2 1 308.510 3.744 20 30 DHEDMP C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278797510 334101277 /nfs/dbraw/zinc/10/12/77/334101277.db2.gz QXPDQFVDIWSTKJ-IJXRJRJASA-N 2 1 311.473 3.569 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563956991 336388441 /nfs/dbraw/zinc/38/84/41/336388441.db2.gz BXGICPNWMIDHMR-GOSISDBHSA-N 2 1 311.473 3.713 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563956991 336388442 /nfs/dbraw/zinc/38/84/42/336388442.db2.gz BXGICPNWMIDHMR-GOSISDBHSA-N 2 1 311.473 3.713 20 30 DHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515174 337074918 /nfs/dbraw/zinc/07/49/18/337074918.db2.gz FXHWLNLYEQABJS-DQLDELGASA-N 2 1 319.452 3.902 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433030177 338177377 /nfs/dbraw/zinc/17/73/77/338177377.db2.gz VIXMSKLYXYUORE-IBGZPJMESA-N 2 1 310.445 3.997 20 30 DHEDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507631461 340226829 /nfs/dbraw/zinc/22/68/29/340226829.db2.gz ZFBLCHMYSLTJOE-QHGAOEGBSA-N 2 1 313.489 3.710 20 30 DHEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507631461 340226830 /nfs/dbraw/zinc/22/68/30/340226830.db2.gz ZFBLCHMYSLTJOE-QHGAOEGBSA-N 2 1 313.489 3.710 20 30 DHEDMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654736 340371337 /nfs/dbraw/zinc/37/13/37/340371337.db2.gz OHXYNHPLUYHVHM-OWCLPIDISA-N 2 1 317.452 3.716 20 30 DHEDMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245941857 341319096 /nfs/dbraw/zinc/31/90/96/341319096.db2.gz VABIHBYRDWZBSN-FGTMMUONSA-N 2 1 313.489 3.967 20 30 DHEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401918 341376583 /nfs/dbraw/zinc/37/65/83/341376583.db2.gz MJHMJZXQVUUCMM-FCEWJHQRSA-N 2 1 311.473 3.862 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(C)cc2)CC1 ZINC000152937181 341513160 /nfs/dbraw/zinc/51/31/60/341513160.db2.gz RYQUWIMHTRZWBK-GOSISDBHSA-N 2 1 300.490 3.946 20 30 DHEDMP C[C@H](CCNCc1ccc(C#N)s1)[N@@H+](C)Cc1ccccc1 ZINC000176981024 1013693767 /nfs/dbraw/zinc/69/37/67/1013693767.db2.gz DOJJKIMNRWMOLA-OAHLLOKOSA-N 2 1 313.470 3.620 20 30 DHEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)[N@H+](C)Cc1ccccc1 ZINC000176981024 1013693770 /nfs/dbraw/zinc/69/37/70/1013693770.db2.gz DOJJKIMNRWMOLA-OAHLLOKOSA-N 2 1 313.470 3.620 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000048716605 1013931939 /nfs/dbraw/zinc/93/19/39/1013931939.db2.gz FQCGRTKYIKRVKC-UHFFFAOYSA-N 2 1 319.452 3.621 20 30 DHEDMP C=CCC[C@H](NCc1ccc(-n2ccnc2C)nc1)c1ccco1 ZINC000276490483 1015211370 /nfs/dbraw/zinc/21/13/70/1015211370.db2.gz UWEIBRZOKPBNPX-KRWDZBQOSA-N 2 1 322.412 3.966 20 30 DHEDMP C=CCOc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000535815266 1015833892 /nfs/dbraw/zinc/83/38/92/1015833892.db2.gz WHXLEGMDCHEHSS-UHFFFAOYSA-N 2 1 316.489 3.804 20 30 DHEDMP C[C@@H]1C[C@@H]([NH+]2CCC(S)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065951 1017258462 /nfs/dbraw/zinc/25/84/62/1017258462.db2.gz ZINVKGRDDAPTRU-ALXJQNPVSA-N 2 1 318.530 3.822 20 30 DHEDMP C[C@@H]1C[C@@H]([NH+]2CCC(S)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065951 1017258469 /nfs/dbraw/zinc/25/84/69/1017258469.db2.gz ZINVKGRDDAPTRU-ALXJQNPVSA-N 2 1 318.530 3.822 20 30 DHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000067507079 1017370507 /nfs/dbraw/zinc/37/05/07/1017370507.db2.gz RUKJDEZYYRRPDF-NRFANRHFSA-N 2 1 319.452 3.560 20 30 DHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000245572356 1018229716 /nfs/dbraw/zinc/22/97/16/1018229716.db2.gz YEPKJMVPFGCBGW-HOTGVXAUSA-N 2 1 317.502 3.706 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246277785 1018442219 /nfs/dbraw/zinc/44/22/19/1018442219.db2.gz ARCSQHHSPYBHFC-BPAFIMBUSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246277785 1018442226 /nfs/dbraw/zinc/44/22/26/1018442226.db2.gz ARCSQHHSPYBHFC-BPAFIMBUSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246277785 1018442230 /nfs/dbraw/zinc/44/22/30/1018442230.db2.gz ARCSQHHSPYBHFC-BPAFIMBUSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246277785 1018442240 /nfs/dbraw/zinc/44/22/40/1018442240.db2.gz ARCSQHHSPYBHFC-BPAFIMBUSA-N 2 1 309.457 3.568 20 30 DHEDMP Cc1ccc(C(=[NH2+])N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1C ZINC001171742233 1032879166 /nfs/dbraw/zinc/87/91/66/1032879166.db2.gz UOYRRALXFWAZBF-YLJYHZDGSA-N 2 1 321.468 3.672 20 30 DHEDMP Cc1ccc(C(=[NH2+])N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1C ZINC001171742233 1032879176 /nfs/dbraw/zinc/87/91/76/1032879176.db2.gz UOYRRALXFWAZBF-YLJYHZDGSA-N 2 1 321.468 3.672 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414110910 1020903676 /nfs/dbraw/zinc/90/36/76/1020903676.db2.gz IMFUIHUCPDEDNN-IAGOWNOFSA-N 2 1 308.510 3.599 20 30 DHEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000414162447 1020950181 /nfs/dbraw/zinc/95/01/81/1020950181.db2.gz HAHMIOLHRBOKDE-UHFFFAOYSA-N 2 1 313.489 3.959 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987710 1032972252 /nfs/dbraw/zinc/97/22/52/1032972252.db2.gz HUBGCDWZZAIIGK-UYAOXDASSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987710 1032972261 /nfs/dbraw/zinc/97/22/61/1032972261.db2.gz HUBGCDWZZAIIGK-UYAOXDASSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987710 1032972268 /nfs/dbraw/zinc/97/22/68/1032972268.db2.gz HUBGCDWZZAIIGK-UYAOXDASSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987710 1032972276 /nfs/dbraw/zinc/97/22/76/1032972276.db2.gz HUBGCDWZZAIIGK-UYAOXDASSA-N 2 1 310.485 3.775 20 30 DHEDMP N#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172075643 1032982254 /nfs/dbraw/zinc/98/22/54/1032982254.db2.gz CUCFHGKJWGXIIG-WKCHPHFGSA-N 2 1 323.484 3.808 20 30 DHEDMP N#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172075643 1032982268 /nfs/dbraw/zinc/98/22/68/1032982268.db2.gz CUCFHGKJWGXIIG-WKCHPHFGSA-N 2 1 323.484 3.808 20 30 DHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000850426331 1021525843 /nfs/dbraw/zinc/52/58/43/1021525843.db2.gz UGBZMLNDHDZJRT-MSOLQXFVSA-N 2 1 310.445 3.800 20 30 DHEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069228 1032994616 /nfs/dbraw/zinc/99/46/16/1032994616.db2.gz HPNOUIZENAZIGT-BURNTYAHSA-N 2 1 310.485 3.964 20 30 DHEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069228 1032994625 /nfs/dbraw/zinc/99/46/25/1032994625.db2.gz HPNOUIZENAZIGT-BURNTYAHSA-N 2 1 310.485 3.964 20 30 DHEDMP C=C(Br)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647897 1021662417 /nfs/dbraw/zinc/66/24/17/1021662417.db2.gz LGXQGGQCCBZKID-GOEBONIOSA-N 2 1 323.278 3.538 20 30 DHEDMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172118531 1033024048 /nfs/dbraw/zinc/02/40/48/1033024048.db2.gz RGFHFRUQXQJZNH-YSTOQKLRSA-N 2 1 311.473 3.860 20 30 DHEDMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172118531 1033024061 /nfs/dbraw/zinc/02/40/61/1033024061.db2.gz RGFHFRUQXQJZNH-YSTOQKLRSA-N 2 1 311.473 3.860 20 30 DHEDMP C[C@@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000120229086 1022227244 /nfs/dbraw/zinc/22/72/44/1022227244.db2.gz IOZFCFSOWMIYRN-DYESRHJHSA-N 2 1 319.452 3.558 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108658 1022267780 /nfs/dbraw/zinc/26/77/80/1022267780.db2.gz USJNNBJGAXGHDQ-NXOAAHMSSA-N 2 1 300.446 3.527 20 30 DHEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108658 1022267788 /nfs/dbraw/zinc/26/77/88/1022267788.db2.gz USJNNBJGAXGHDQ-NXOAAHMSSA-N 2 1 300.446 3.527 20 30 DHEDMP C#C[C@@](C)(CC)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001169697407 1022505873 /nfs/dbraw/zinc/50/58/73/1022505873.db2.gz LDIYPHOEGXCCPG-APWZRJJASA-N 2 1 310.445 3.565 20 30 DHEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172353982 1033136109 /nfs/dbraw/zinc/13/61/09/1033136109.db2.gz CUMISUIYPVCJAQ-HSALFYBXSA-N 2 1 323.569 3.836 20 30 DHEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000651716417 1023486650 /nfs/dbraw/zinc/48/66/50/1023486650.db2.gz XGYKEPSJEZWGGJ-ZWKOTPCHSA-N 2 1 320.521 3.744 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000538735184 1033155527 /nfs/dbraw/zinc/15/55/27/1033155527.db2.gz GCALVSDDGWUWKK-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000538735184 1033155537 /nfs/dbraw/zinc/15/55/37/1033155537.db2.gz GCALVSDDGWUWKK-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000538735184 1033155550 /nfs/dbraw/zinc/15/55/50/1033155550.db2.gz GCALVSDDGWUWKK-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000538735184 1033155559 /nfs/dbraw/zinc/15/55/59/1033155559.db2.gz GCALVSDDGWUWKK-SFHVURJKSA-N 2 1 302.462 3.558 20 30 DHEDMP C=CCC[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883173141 1024267749 /nfs/dbraw/zinc/26/77/49/1024267749.db2.gz CSNPYLIDWKVNCB-QRVBRYPASA-N 2 1 314.473 3.617 20 30 DHEDMP C=CCCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000883175858 1024267906 /nfs/dbraw/zinc/26/79/06/1024267906.db2.gz QJCPUOGUEDPAOY-HXUWFJFHSA-N 2 1 316.489 3.520 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106322 1024332235 /nfs/dbraw/zinc/33/22/35/1024332235.db2.gz IQUXIXKJWDCGKQ-AQNXPRMDSA-N 2 1 311.473 3.713 20 30 DHEDMP C=CCC[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663464963 1024398543 /nfs/dbraw/zinc/39/85/43/1024398543.db2.gz HOYAHCJGASDBCT-MSOLQXFVSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663464963 1024398561 /nfs/dbraw/zinc/39/85/61/1024398561.db2.gz HOYAHCJGASDBCT-MSOLQXFVSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663464963 1024398578 /nfs/dbraw/zinc/39/85/78/1024398578.db2.gz HOYAHCJGASDBCT-MSOLQXFVSA-N 2 1 302.462 3.999 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccccc2Cl)CC1 ZINC001172491075 1033223960 /nfs/dbraw/zinc/22/39/60/1033223960.db2.gz CSLYFQVPYHPGLY-CQSZACIVSA-N 2 1 305.853 3.672 20 30 DHEDMP CCCCCCCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001172502551 1033233096 /nfs/dbraw/zinc/23/30/96/1033233096.db2.gz JOJNXMNURIQLKN-IRXDYDNUSA-N 2 1 314.514 3.776 20 30 DHEDMP CCCCCCC[C@@H](CCC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172511073 1033237508 /nfs/dbraw/zinc/23/75/08/1033237508.db2.gz MIKDRBVGNZAVIW-LJQANCHMSA-N 2 1 311.558 3.695 20 30 DHEDMP C=CCCCCC[N@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001279272010 1024797864 /nfs/dbraw/zinc/79/78/64/1024797864.db2.gz KTFNAPKZWAPIDS-HXUWFJFHSA-N 2 1 320.521 3.842 20 30 DHEDMP C=CC[NH+]1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000562199222 1027288010 /nfs/dbraw/zinc/28/80/10/1027288010.db2.gz PAAWEFQMBQSWON-UHFFFAOYSA-N 2 1 300.490 3.767 20 30 DHEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000365598213 1027978538 /nfs/dbraw/zinc/97/85/38/1027978538.db2.gz KQAATSIBIZYPBE-WMZOPIPTSA-N 2 1 303.494 3.655 20 30 DHEDMP CC(C)(C#N)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365598213 1027978555 /nfs/dbraw/zinc/97/85/55/1027978555.db2.gz KQAATSIBIZYPBE-WMZOPIPTSA-N 2 1 303.494 3.655 20 30 DHEDMP CC(C)(C#N)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000365598213 1027978567 /nfs/dbraw/zinc/97/85/67/1027978567.db2.gz KQAATSIBIZYPBE-WMZOPIPTSA-N 2 1 303.494 3.655 20 30 DHEDMP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000449303101 1028523958 /nfs/dbraw/zinc/52/39/58/1028523958.db2.gz WZMCJKFYNKGPER-CUYAVPTFSA-N 2 1 303.494 3.846 20 30 DHEDMP Cc1cccc(NC2CC[NH+](CC(C)(C)CCC#N)CC2)[nH+]1 ZINC000371399280 1028706371 /nfs/dbraw/zinc/70/63/71/1028706371.db2.gz ZBWBCVLMAUGEIO-UHFFFAOYSA-N 2 1 300.450 3.596 20 30 DHEDMP CC(C)(C#N)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390847979 1029722058 /nfs/dbraw/zinc/72/20/58/1029722058.db2.gz HXWGVEJXJRNNJS-SFHVURJKSA-N 2 1 313.489 3.817 20 30 DHEDMP CC(C)(C#N)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390847979 1029722065 /nfs/dbraw/zinc/72/20/65/1029722065.db2.gz HXWGVEJXJRNNJS-SFHVURJKSA-N 2 1 313.489 3.817 20 30 DHEDMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]1c1cccs1 ZINC000248750889 1030764084 /nfs/dbraw/zinc/76/40/84/1030764084.db2.gz BVLIUEBBWDVHHY-LHHMISFZSA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]1c1cccs1 ZINC000248750889 1030764096 /nfs/dbraw/zinc/76/40/96/1030764096.db2.gz BVLIUEBBWDVHHY-LHHMISFZSA-N 2 1 317.502 3.803 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)CC1CC1 ZINC000559147038 1031135126 /nfs/dbraw/zinc/13/51/26/1031135126.db2.gz RFELCKQZYOFMRQ-MOPGFXCFSA-N 2 1 303.494 3.513 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872139997 1031532578 /nfs/dbraw/zinc/53/25/78/1031532578.db2.gz VAVCAWGFYCUIAS-QIJZPMMNSA-N 2 1 310.485 3.679 20 30 DHEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782295 1031609261 /nfs/dbraw/zinc/60/92/61/1031609261.db2.gz UNMABGOPHVHQFK-DYVFJYSZSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782295 1031609268 /nfs/dbraw/zinc/60/92/68/1031609268.db2.gz UNMABGOPHVHQFK-DYVFJYSZSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782295 1031609276 /nfs/dbraw/zinc/60/92/76/1031609276.db2.gz UNMABGOPHVHQFK-DYVFJYSZSA-N 2 1 305.853 3.516 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782295 1031609283 /nfs/dbraw/zinc/60/92/83/1031609283.db2.gz UNMABGOPHVHQFK-DYVFJYSZSA-N 2 1 305.853 3.516 20 30 DHEDMP N#CCC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173325616 1033685113 /nfs/dbraw/zinc/68/51/13/1033685113.db2.gz LOTAYTHTHFCZPW-SYYJFZTOSA-N 2 1 311.473 3.571 20 30 DHEDMP C=CCOC1CCC([NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001173326946 1033688183 /nfs/dbraw/zinc/68/81/83/1033688183.db2.gz WVLFULQZBWXLNP-FUFFSDJGSA-N 2 1 320.521 3.839 20 30 DHEDMP C=CCOC1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001173326946 1033688194 /nfs/dbraw/zinc/68/81/94/1033688194.db2.gz WVLFULQZBWXLNP-FUFFSDJGSA-N 2 1 320.521 3.839 20 30 DHEDMP C=CCOC1CCC([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CC1 ZINC001173326946 1033688204 /nfs/dbraw/zinc/68/82/04/1033688204.db2.gz WVLFULQZBWXLNP-FUFFSDJGSA-N 2 1 320.521 3.839 20 30 DHEDMP CC(C)C[N@H+](Cc1ccc(CC#N)cc1)CC1CC[NH+](C)CC1 ZINC000879705045 1034091865 /nfs/dbraw/zinc/09/18/65/1034091865.db2.gz YSLJDCBIYJMDES-UHFFFAOYSA-N 2 1 313.489 3.552 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1Cl ZINC000554888788 1034391471 /nfs/dbraw/zinc/39/14/71/1034391471.db2.gz SSLBFHMWAKNDIN-WMLDXEAASA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000554888788 1034391477 /nfs/dbraw/zinc/39/14/77/1034391477.db2.gz SSLBFHMWAKNDIN-WMLDXEAASA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000554888788 1034391492 /nfs/dbraw/zinc/39/14/92/1034391492.db2.gz SSLBFHMWAKNDIN-WMLDXEAASA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000554888788 1034391503 /nfs/dbraw/zinc/39/15/03/1034391503.db2.gz SSLBFHMWAKNDIN-WMLDXEAASA-N 2 1 322.880 3.677 20 30 DHEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272219321 1036295322 /nfs/dbraw/zinc/29/53/22/1036295322.db2.gz RPYKOEZJIVIXCF-LAUBAEHRSA-N 2 1 319.452 3.558 20 30 DHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c1 ZINC000443960171 1036913509 /nfs/dbraw/zinc/91/35/09/1036913509.db2.gz CITQQYOOOHDPFY-UHFFFAOYSA-N 2 1 307.441 3.608 20 30 DHEDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404021 1039448263 /nfs/dbraw/zinc/44/82/63/1039448263.db2.gz UTMZGFAFOLPTNI-DQLDELGASA-N 2 1 319.452 3.554 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000602514734 1041063252 /nfs/dbraw/zinc/06/32/52/1041063252.db2.gz LVASOTZJXDYWFR-MSOLQXFVSA-N 2 1 313.489 3.948 20 30 DHEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000602660273 1041144995 /nfs/dbraw/zinc/14/49/95/1041144995.db2.gz BHPYMBDACJGGEI-UYAOXDASSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@H](CCC#N)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602660273 1041144999 /nfs/dbraw/zinc/14/49/99/1041144999.db2.gz BHPYMBDACJGGEI-UYAOXDASSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@H](CCC#N)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602660273 1041145009 /nfs/dbraw/zinc/14/50/09/1041145009.db2.gz BHPYMBDACJGGEI-UYAOXDASSA-N 2 1 311.473 3.524 20 30 DHEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000602659911 1041147849 /nfs/dbraw/zinc/14/78/49/1041147849.db2.gz YQZMYLPTAXZMFN-MJGOQNOKSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000602659911 1041147853 /nfs/dbraw/zinc/14/78/53/1041147853.db2.gz YQZMYLPTAXZMFN-MJGOQNOKSA-N 2 1 313.489 3.817 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2cccc(F)c2)CC1 ZINC000152989911 332332857 /nfs/dbraw/zinc/33/28/57/332332857.db2.gz VXOZPNYNICBVFN-INIZCTEOSA-N 2 1 304.453 3.777 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000152970155 332333996 /nfs/dbraw/zinc/33/39/96/332333996.db2.gz USMHDFNWUIQDCV-KRWDZBQOSA-N 2 1 316.489 3.646 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000153029244 332338791 /nfs/dbraw/zinc/33/87/91/332338791.db2.gz OPOLJMGFIFHEPO-CQSZACIVSA-N 2 1 324.415 3.979 20 30 DHEDMP C=CCC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000560526970 332351514 /nfs/dbraw/zinc/35/15/14/332351514.db2.gz JPXQGRRXIHRPNU-FGTMMUONSA-N 2 1 320.477 3.766 20 30 DHEDMP Cc1c[nH+]ccc1OC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000278757576 334100978 /nfs/dbraw/zinc/10/09/78/334100978.db2.gz XOENURZXBKBDMH-UHFFFAOYSA-N 2 1 301.434 3.563 20 30 DHEDMP C=CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000346142132 335380785 /nfs/dbraw/zinc/38/07/85/335380785.db2.gz ABQUQJPHWJCWAO-UHFFFAOYSA-N 2 1 318.424 3.764 20 30 DHEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301399158 336304386 /nfs/dbraw/zinc/30/43/86/336304386.db2.gz OXDVOXJRWYLDSE-UHFFFAOYSA-N 2 1 301.821 3.951 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c(OC)ccc3ccccc32)CC1 ZINC000106246133 336389207 /nfs/dbraw/zinc/38/92/07/336389207.db2.gz CPNKIWZSSLOLIG-UHFFFAOYSA-N 2 1 324.468 3.979 20 30 DHEDMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000174013716 337140581 /nfs/dbraw/zinc/14/05/81/337140581.db2.gz XPSNWTNWPRWXDM-INIZCTEOSA-N 2 1 311.473 3.863 20 30 DHEDMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000179241007 337168327 /nfs/dbraw/zinc/16/83/27/337168327.db2.gz YNELECKMTFVEQZ-MRXNPFEDSA-N 2 1 310.445 3.927 20 30 DHEDMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000179241007 337168328 /nfs/dbraw/zinc/16/83/28/337168328.db2.gz YNELECKMTFVEQZ-MRXNPFEDSA-N 2 1 310.445 3.927 20 30 DHEDMP C=CCSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000180455665 337174772 /nfs/dbraw/zinc/17/47/72/337174772.db2.gz XWZVBBPTADJZHH-CQSZACIVSA-N 2 1 301.459 3.751 20 30 DHEDMP C[N@@H+](CCCCC#N)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726872 337386725 /nfs/dbraw/zinc/38/67/25/337386725.db2.gz OBCCHYXIUXUBHV-UHFFFAOYSA-N 2 1 313.489 3.914 20 30 DHEDMP C[C@H](CCNCc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000080206560 341270724 /nfs/dbraw/zinc/27/07/24/341270724.db2.gz BIAOYXIVUHCRAV-QGZVFWFLSA-N 2 1 307.441 3.558 20 30 DHEDMP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000080206560 341270726 /nfs/dbraw/zinc/27/07/26/341270726.db2.gz BIAOYXIVUHCRAV-QGZVFWFLSA-N 2 1 307.441 3.558 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249412999 341397360 /nfs/dbraw/zinc/39/73/60/341397360.db2.gz YJCBYWOEAKKNQL-MOXGXCLJSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249412999 341397361 /nfs/dbraw/zinc/39/73/61/341397361.db2.gz YJCBYWOEAKKNQL-MOXGXCLJSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249412999 341397362 /nfs/dbraw/zinc/39/73/62/341397362.db2.gz YJCBYWOEAKKNQL-MOXGXCLJSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249412999 341397363 /nfs/dbraw/zinc/39/73/63/341397363.db2.gz YJCBYWOEAKKNQL-MOXGXCLJSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C1 ZINC000442721148 1014723608 /nfs/dbraw/zinc/72/36/08/1014723608.db2.gz UUPXUWHDQBHPST-NSISKUIASA-N 2 1 311.473 3.700 20 30 DHEDMP C=C(C)CN1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000106244889 1015180739 /nfs/dbraw/zinc/18/07/39/1015180739.db2.gz ZQDQTPXDEJMZEO-UHFFFAOYSA-N 2 1 307.507 3.571 20 30 DHEDMP C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444674380 1017625659 /nfs/dbraw/zinc/62/56/59/1017625659.db2.gz PBZOBQYMTQEOAO-IAGOWNOFSA-N 2 1 305.510 3.949 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246277818 1018443081 /nfs/dbraw/zinc/44/30/81/1018443081.db2.gz ARCSQHHSPYBHFC-ZTNFWEORSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246277818 1018443088 /nfs/dbraw/zinc/44/30/88/1018443088.db2.gz ARCSQHHSPYBHFC-ZTNFWEORSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246277818 1018443093 /nfs/dbraw/zinc/44/30/93/1018443093.db2.gz ARCSQHHSPYBHFC-ZTNFWEORSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246277818 1018443099 /nfs/dbraw/zinc/44/30/99/1018443099.db2.gz ARCSQHHSPYBHFC-ZTNFWEORSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000765013059 1018447641 /nfs/dbraw/zinc/44/76/41/1018447641.db2.gz GQCNKDWDUMTYRI-UZLBHIALSA-N 2 1 311.473 3.691 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCSCC#N)CC1 ZINC000158954337 1018963789 /nfs/dbraw/zinc/96/37/89/1018963789.db2.gz FGZBFMYMNJRWTQ-KRWDZBQOSA-N 2 1 323.550 3.610 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261120 1019075484 /nfs/dbraw/zinc/07/54/84/1019075484.db2.gz UVRYOVHXJYYJKM-KRWDZBQOSA-N 2 1 313.489 3.651 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261120 1019075500 /nfs/dbraw/zinc/07/55/00/1019075500.db2.gz UVRYOVHXJYYJKM-KRWDZBQOSA-N 2 1 313.489 3.651 20 30 DHEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000657915081 1019978263 /nfs/dbraw/zinc/97/82/63/1019978263.db2.gz HVCGPHIFFHYPKY-RBUKOAKNSA-N 2 1 320.521 3.746 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CSC)cc2)CC1 ZINC000921702162 1020528871 /nfs/dbraw/zinc/52/88/71/1020528871.db2.gz HOUYOAIWLAWWKC-UHFFFAOYSA-N 2 1 304.503 3.680 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414110911 1020904080 /nfs/dbraw/zinc/90/40/80/1020904080.db2.gz IMFUIHUCPDEDNN-IRXDYDNUSA-N 2 1 308.510 3.599 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000091334296 1021278055 /nfs/dbraw/zinc/27/80/55/1021278055.db2.gz ZXNHOZCAWODDPS-HNNXBMFYSA-N 2 1 306.881 3.901 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000892881593 1021658198 /nfs/dbraw/zinc/65/81/98/1021658198.db2.gz YPTMNEXWFFXRNX-UHFFFAOYSA-N 2 1 312.379 3.893 20 30 DHEDMP C#C[C@@](C)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069242 1032997323 /nfs/dbraw/zinc/99/73/23/1032997323.db2.gz HPNOUIZENAZIGT-WOZUAGRISA-N 2 1 310.485 3.964 20 30 DHEDMP C#C[C@@](C)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069242 1032997334 /nfs/dbraw/zinc/99/73/34/1032997334.db2.gz HPNOUIZENAZIGT-WOZUAGRISA-N 2 1 310.485 3.964 20 30 DHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001172113769 1033021169 /nfs/dbraw/zinc/02/11/69/1033021169.db2.gz LUJMUDUSAXUQAN-ACDBMABISA-N 2 1 323.484 3.559 20 30 DHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001172113769 1033021176 /nfs/dbraw/zinc/02/11/76/1033021176.db2.gz LUJMUDUSAXUQAN-ACDBMABISA-N 2 1 323.484 3.559 20 30 DHEDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172299209 1033104207 /nfs/dbraw/zinc/10/42/07/1033104207.db2.gz KFJBDZUVTXVFLV-QZTJIDSGSA-N 2 1 321.468 3.586 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172480659 1033192785 /nfs/dbraw/zinc/19/27/85/1033192785.db2.gz WNFWSRSCVIWHDY-GSEOLPGOSA-N 2 1 311.473 3.569 20 30 DHEDMP C=CCC[C@@H](COc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883167924 1024266185 /nfs/dbraw/zinc/26/61/85/1024266185.db2.gz KTKKPDAPZOWCAE-SFHVURJKSA-N 2 1 314.473 3.617 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106323 1024334046 /nfs/dbraw/zinc/33/40/46/1024334046.db2.gz IQUXIXKJWDCGKQ-VAMGGRTRSA-N 2 1 311.473 3.713 20 30 DHEDMP C=CCC[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663464964 1024399227 /nfs/dbraw/zinc/39/92/27/1024399227.db2.gz HOYAHCJGASDBCT-QZTJIDSGSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccco1 ZINC000663464964 1024399242 /nfs/dbraw/zinc/39/92/42/1024399242.db2.gz HOYAHCJGASDBCT-QZTJIDSGSA-N 2 1 302.462 3.999 20 30 DHEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000663464964 1024399250 /nfs/dbraw/zinc/39/92/50/1024399250.db2.gz HOYAHCJGASDBCT-QZTJIDSGSA-N 2 1 302.462 3.999 20 30 DHEDMP CCCCCCCC[C@H](CC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172502945 1033231823 /nfs/dbraw/zinc/23/18/23/1033231823.db2.gz NXOYONAXSARPFE-IBGZPJMESA-N 2 1 311.558 3.743 20 30 DHEDMP CCCCCCC[C@H](CCC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001172508734 1033238940 /nfs/dbraw/zinc/23/89/40/1033238940.db2.gz NKZXCKXNZASHAD-OALUTQOASA-N 2 1 309.542 3.528 20 30 DHEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000747099149 1024867550 /nfs/dbraw/zinc/86/75/50/1024867550.db2.gz SRLRGXNSJUHMGM-UHFFFAOYSA-N 2 1 321.468 3.806 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000747099149 1024867565 /nfs/dbraw/zinc/86/75/65/1024867565.db2.gz SRLRGXNSJUHMGM-UHFFFAOYSA-N 2 1 321.468 3.806 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000809556116 1026559347 /nfs/dbraw/zinc/55/93/47/1026559347.db2.gz ICTRBSNIMRNNJB-NQIIRXRSSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000809556116 1026559349 /nfs/dbraw/zinc/55/93/49/1026559349.db2.gz ICTRBSNIMRNNJB-NQIIRXRSSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000809556116 1026559352 /nfs/dbraw/zinc/55/93/52/1026559352.db2.gz ICTRBSNIMRNNJB-NQIIRXRSSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000809556116 1026559357 /nfs/dbraw/zinc/55/93/57/1026559357.db2.gz ICTRBSNIMRNNJB-NQIIRXRSSA-N 2 1 310.485 3.754 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933609853 1027773556 /nfs/dbraw/zinc/77/35/56/1027773556.db2.gz JSKQHPUCNSZMIP-UHFFFAOYSA-N 2 1 322.456 3.723 20 30 DHEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614653 1027775796 /nfs/dbraw/zinc/77/57/96/1027775796.db2.gz UTFVRKPWNLCLHW-HXUWFJFHSA-N 2 1 311.473 3.612 20 30 DHEDMP Cc1nccn1CCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367296625 1028160850 /nfs/dbraw/zinc/16/08/50/1028160850.db2.gz RBCJGPZBLBCQON-UHFFFAOYSA-N 2 1 320.440 3.633 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367296625 1028160861 /nfs/dbraw/zinc/16/08/61/1028160861.db2.gz RBCJGPZBLBCQON-UHFFFAOYSA-N 2 1 320.440 3.633 20 30 DHEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367296625 1028160869 /nfs/dbraw/zinc/16/08/69/1028160869.db2.gz RBCJGPZBLBCQON-UHFFFAOYSA-N 2 1 320.440 3.633 20 30 DHEDMP C[N@H+]1CCC[C@H](C[NH2+]CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000367488983 1028191447 /nfs/dbraw/zinc/19/14/47/1028191447.db2.gz HQBMMSUXIAKFFE-RTBURBONSA-N 2 1 313.489 3.989 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449123328 1028376784 /nfs/dbraw/zinc/37/67/84/1028376784.db2.gz NWDROZPOXKLRMG-UHFFFAOYSA-N 2 1 324.468 3.979 20 30 DHEDMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000368649700 1028389340 /nfs/dbraw/zinc/38/93/40/1028389340.db2.gz HYOFVDQLPHHATE-GSEOLPGOSA-N 2 1 311.473 3.569 20 30 DHEDMP C=CCCCC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000449223129 1028463661 /nfs/dbraw/zinc/46/36/61/1028463661.db2.gz JGILZXWSSCCZFD-OAHLLOKOSA-N 2 1 316.493 3.787 20 30 DHEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCC(C)(C)C#N)C1 ZINC000372678894 1028880546 /nfs/dbraw/zinc/88/05/46/1028880546.db2.gz FHEVKKPBOPBYIW-ROUUACIJSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000372678894 1028880560 /nfs/dbraw/zinc/88/05/60/1028880560.db2.gz FHEVKKPBOPBYIW-ROUUACIJSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000372678894 1028880578 /nfs/dbraw/zinc/88/05/78/1028880578.db2.gz FHEVKKPBOPBYIW-ROUUACIJSA-N 2 1 305.510 3.903 20 30 DHEDMP N#CC1(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000411397539 1029122381 /nfs/dbraw/zinc/12/23/81/1029122381.db2.gz HUSBFWYJLAVMQO-MJGOQNOKSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CC1(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000411397539 1029122388 /nfs/dbraw/zinc/12/23/88/1029122388.db2.gz HUSBFWYJLAVMQO-MJGOQNOKSA-N 2 1 315.505 3.799 20 30 DHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248756621 1030766798 /nfs/dbraw/zinc/76/67/98/1030766798.db2.gz GGMIWYUZHYEQEB-OWBSXZKWSA-N 2 1 323.484 3.854 20 30 DHEDMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000151380580 1033442931 /nfs/dbraw/zinc/44/29/31/1033442931.db2.gz YUOPBRBVZKCIFM-JXFKEZNVSA-N 2 1 311.473 3.691 20 30 DHEDMP C=CCOC1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173320945 1033685375 /nfs/dbraw/zinc/68/53/75/1033685375.db2.gz UJOQBMQOXNGQHS-XEVCZEQESA-N 2 1 320.521 3.841 20 30 DHEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000339057197 1034114169 /nfs/dbraw/zinc/11/41/69/1034114169.db2.gz AQXRAFLNLZCMEL-VQTJNVASSA-N 2 1 323.484 3.667 20 30 DHEDMP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000879952568 1034167277 /nfs/dbraw/zinc/16/72/77/1034167277.db2.gz XBTRODNPMWLZDH-UHFFFAOYSA-N 2 1 311.473 3.593 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1Cl ZINC000554888787 1034394399 /nfs/dbraw/zinc/39/43/99/1034394399.db2.gz SSLBFHMWAKNDIN-RHSMWYFYSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000554888787 1034394409 /nfs/dbraw/zinc/39/44/09/1034394409.db2.gz SSLBFHMWAKNDIN-RHSMWYFYSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000554888787 1034394423 /nfs/dbraw/zinc/39/44/23/1034394423.db2.gz SSLBFHMWAKNDIN-RHSMWYFYSA-N 2 1 322.880 3.677 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000554888787 1034394436 /nfs/dbraw/zinc/39/44/36/1034394436.db2.gz SSLBFHMWAKNDIN-RHSMWYFYSA-N 2 1 322.880 3.677 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339204 1034852394 /nfs/dbraw/zinc/85/23/94/1034852394.db2.gz ACZPYAAOUGFQFV-DYESRHJHSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339204 1034852399 /nfs/dbraw/zinc/85/23/99/1034852399.db2.gz ACZPYAAOUGFQFV-DYESRHJHSA-N 2 1 319.452 3.701 20 30 DHEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000539838069 1035877802 /nfs/dbraw/zinc/87/78/02/1035877802.db2.gz GFIDHQVTMJAALT-SJLPKXTDSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000539838069 1035877822 /nfs/dbraw/zinc/87/78/22/1035877822.db2.gz GFIDHQVTMJAALT-SJLPKXTDSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000539838069 1035877830 /nfs/dbraw/zinc/87/78/30/1035877830.db2.gz GFIDHQVTMJAALT-SJLPKXTDSA-N 2 1 302.462 3.556 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000539838069 1035877843 /nfs/dbraw/zinc/87/78/43/1035877843.db2.gz GFIDHQVTMJAALT-SJLPKXTDSA-N 2 1 302.462 3.556 20 30 DHEDMP C=C(Cl)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762927721 1037078019 /nfs/dbraw/zinc/07/80/19/1037078019.db2.gz UVCQJYXBMMTMRU-UHFFFAOYSA-N 2 1 304.865 3.727 20 30 DHEDMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000591571025 1038937356 /nfs/dbraw/zinc/93/73/56/1038937356.db2.gz WGUBYYWATICDBN-CWFSZBLJSA-N 2 1 305.425 3.702 20 30 DHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C#N)cc1C ZINC000599660276 1039261778 /nfs/dbraw/zinc/26/17/78/1039261778.db2.gz LTCJRYKQTJPRSV-UHFFFAOYSA-N 2 1 321.468 3.950 20 30 DHEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607516 1039869667 /nfs/dbraw/zinc/86/96/67/1039869667.db2.gz WRJLRJCMKZHGSI-UHFFFAOYSA-N 2 1 301.478 3.651 20 30 DHEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607462 1039870359 /nfs/dbraw/zinc/87/03/59/1039870359.db2.gz VOLLOTNKJIRMEY-UHFFFAOYSA-N 2 1 313.489 3.796 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918354 1039926134 /nfs/dbraw/zinc/92/61/34/1039926134.db2.gz NZRCQUFOQMKMGS-KRWDZBQOSA-N 2 1 311.473 3.596 20 30 DHEDMP C=CCCSCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000594959697 1039965964 /nfs/dbraw/zinc/96/59/64/1039965964.db2.gz AGYDYISHSFLSBG-UHFFFAOYSA-N 2 1 304.503 3.550 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643410 1041129779 /nfs/dbraw/zinc/12/97/79/1041129779.db2.gz QOAGSVLPYOQBHB-IEBWSBKVSA-N 2 1 309.457 3.638 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCCC)c2)CC1 ZINC000106245325 336389110 /nfs/dbraw/zinc/38/91/10/336389110.db2.gz NCIJCZFZKKXOJW-UHFFFAOYSA-N 2 1 302.462 3.606 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCC#N)cc1F ZINC000367659478 336827559 /nfs/dbraw/zinc/82/75/59/336827559.db2.gz LTFNVAHNZQOCKW-CYBMUJFWSA-N 2 1 300.381 3.664 20 30 DHEDMP C#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000368025978 336835178 /nfs/dbraw/zinc/83/51/78/336835178.db2.gz ZBCDMWFIDGACRX-UHFFFAOYSA-N 2 1 319.383 3.591 20 30 DHEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353584 337070885 /nfs/dbraw/zinc/07/08/85/337070885.db2.gz GEFNDOWNRPFQSL-HXUWFJFHSA-N 2 1 309.457 3.522 20 30 DHEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353584 337070886 /nfs/dbraw/zinc/07/08/86/337070886.db2.gz GEFNDOWNRPFQSL-HXUWFJFHSA-N 2 1 309.457 3.522 20 30 DHEDMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353584 337070887 /nfs/dbraw/zinc/07/08/87/337070887.db2.gz GEFNDOWNRPFQSL-HXUWFJFHSA-N 2 1 309.457 3.522 20 30 DHEDMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353584 337070888 /nfs/dbraw/zinc/07/08/88/337070888.db2.gz GEFNDOWNRPFQSL-HXUWFJFHSA-N 2 1 309.457 3.522 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185864357 337252000 /nfs/dbraw/zinc/25/20/00/337252000.db2.gz XHJOHBBVMZTCHZ-QILLFSRXSA-N 2 1 308.429 3.914 20 30 DHEDMP CC(C)(CCC#N)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435057407 338231379 /nfs/dbraw/zinc/23/13/79/338231379.db2.gz BQLRQHGXIARIBG-UHFFFAOYSA-N 2 1 314.477 3.729 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000482631521 339638055 /nfs/dbraw/zinc/63/80/55/339638055.db2.gz SCMSRBOYKLMGCK-NRFANRHFSA-N 2 1 312.501 3.946 20 30 DHEDMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000549191362 341288509 /nfs/dbraw/zinc/28/85/09/341288509.db2.gz NWPWVZGARAFLOL-FXAWDEMLSA-N 2 1 324.472 3.594 20 30 DHEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000549191362 341288510 /nfs/dbraw/zinc/28/85/10/341288510.db2.gz NWPWVZGARAFLOL-FXAWDEMLSA-N 2 1 324.472 3.594 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000091334297 341424872 /nfs/dbraw/zinc/42/48/72/341424872.db2.gz ZXNHOZCAWODDPS-OAHLLOKOSA-N 2 1 306.881 3.901 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442706548 1014718803 /nfs/dbraw/zinc/71/88/03/1014718803.db2.gz DUOUXNQHUJIKHR-MBOZVWFJSA-N 2 1 311.473 3.843 20 30 DHEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341584606 1015554422 /nfs/dbraw/zinc/55/44/22/1015554422.db2.gz FSUSISZIIHNWLU-IRXDYDNUSA-N 2 1 308.510 3.600 20 30 DHEDMP C[NH+]1C(C)(C)CC([N@H+]2CCc3cc(C#N)ccc3C2)CC1(C)C ZINC001171631133 1032795228 /nfs/dbraw/zinc/79/52/28/1032795228.db2.gz FHHHDEBYQMTNCD-UHFFFAOYSA-N 2 1 311.473 3.568 20 30 DHEDMP C[NH+]1C(C)(C)CC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1(C)C ZINC001171623289 1032805331 /nfs/dbraw/zinc/80/53/31/1032805331.db2.gz RMTKKWVSIXSXQX-UHFFFAOYSA-N 2 1 311.473 3.788 20 30 DHEDMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338968 1019859995 /nfs/dbraw/zinc/85/99/95/1019859995.db2.gz LPGZSQCHBMLRLK-LAUBAEHRSA-N 2 1 319.452 3.701 20 30 DHEDMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338968 1019860007 /nfs/dbraw/zinc/86/00/07/1019860007.db2.gz LPGZSQCHBMLRLK-LAUBAEHRSA-N 2 1 319.452 3.701 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414175306 1020963035 /nfs/dbraw/zinc/96/30/35/1020963035.db2.gz YZMCZMQGDOZUDM-REPLKXPHSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000181513449 1021223388 /nfs/dbraw/zinc/22/33/88/1021223388.db2.gz NEIUCLSQZXIKGU-KSZLIROESA-N 2 1 313.489 3.967 20 30 DHEDMP CC1(C)C[C@@H]([NH+]2CCC(S)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987795 1032969632 /nfs/dbraw/zinc/96/96/32/1032969632.db2.gz JVPWNXFLCGDIIN-KRWDZBQOSA-N 2 1 318.530 3.824 20 30 DHEDMP N#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172075642 1032980816 /nfs/dbraw/zinc/98/08/16/1032980816.db2.gz CUCFHGKJWGXIIG-AERCQKQUSA-N 2 1 323.484 3.808 20 30 DHEDMP N#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172075642 1032980836 /nfs/dbraw/zinc/98/08/36/1032980836.db2.gz CUCFHGKJWGXIIG-AERCQKQUSA-N 2 1 323.484 3.808 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129778175 1021574100 /nfs/dbraw/zinc/57/41/00/1021574100.db2.gz IAUYXXXTGGMTQE-HIFRSBDPSA-N 2 1 304.400 3.738 20 30 DHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C#Cc3ccccc3)CC1)C2 ZINC001172122355 1033026875 /nfs/dbraw/zinc/02/68/75/1033026875.db2.gz AEKZGVHIDDBAJL-ZBYYUNFXSA-N 2 1 322.496 3.765 20 30 DHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C#Cc3ccccc3)CC1)C2 ZINC001172122355 1033026877 /nfs/dbraw/zinc/02/68/77/1033026877.db2.gz AEKZGVHIDDBAJL-ZBYYUNFXSA-N 2 1 322.496 3.765 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000156244370 1022449886 /nfs/dbraw/zinc/44/98/86/1022449886.db2.gz PTGYCNMLYYYEGX-UHFFFAOYSA-N 2 1 316.464 3.621 20 30 DHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000531415889 1024144026 /nfs/dbraw/zinc/14/40/26/1024144026.db2.gz XTJADBFYDLQAHC-UHFFFAOYSA-N 2 1 318.892 3.744 20 30 DHEDMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170121542 1024179722 /nfs/dbraw/zinc/17/97/22/1024179722.db2.gz NDOBCDZMEWTWDI-HUYLIWGRSA-N 2 1 311.473 3.819 20 30 DHEDMP C=CCC[C@H](COc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883167923 1024265904 /nfs/dbraw/zinc/26/59/04/1024265904.db2.gz KTKKPDAPZOWCAE-GOSISDBHSA-N 2 1 314.473 3.617 20 30 DHEDMP CCC1([NH+]2CCC2)CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000931753406 1024540538 /nfs/dbraw/zinc/54/05/38/1024540538.db2.gz YPNLIPLEZXYCGD-UHFFFAOYSA-N 2 1 311.473 3.625 20 30 DHEDMP N#CC1(c2ccccc2)CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001170406022 1024771198 /nfs/dbraw/zinc/77/11/98/1024771198.db2.gz QPOKKUSDNUFYCT-UHFFFAOYSA-N 2 1 323.484 3.561 20 30 DHEDMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)[nH+]c1C ZINC000886663166 1025769289 /nfs/dbraw/zinc/76/92/89/1025769289.db2.gz UQPXZCSLFKIJSG-UHFFFAOYSA-N 2 1 308.429 3.586 20 30 DHEDMP CCC1([NH+]2CCC2)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000886718132 1025831571 /nfs/dbraw/zinc/83/15/71/1025831571.db2.gz RKEACBQFTGNJCK-UHFFFAOYSA-N 2 1 303.494 3.801 20 30 DHEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000809631874 1026578813 /nfs/dbraw/zinc/57/88/13/1026578813.db2.gz DZXANLDETAAZOZ-UHFFFAOYSA-N 2 1 306.453 3.798 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809635250 1026579706 /nfs/dbraw/zinc/57/97/06/1026579706.db2.gz VCXDQTNZSSIPCI-XMSQKQJNSA-N 2 1 318.464 3.668 20 30 DHEDMP Cc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000104162930 1026599320 /nfs/dbraw/zinc/59/93/20/1026599320.db2.gz CGXFKXDDWAXDEZ-UHFFFAOYSA-N 2 1 324.472 3.762 20 30 DHEDMP C=CCOc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809737772 1026611353 /nfs/dbraw/zinc/61/13/53/1026611353.db2.gz KMJLTXONNXQHCI-UHFFFAOYSA-N 2 1 324.468 3.945 20 30 DHEDMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1C#N ZINC000809738929 1026611714 /nfs/dbraw/zinc/61/17/14/1026611714.db2.gz PSQFMPDYXCTZIZ-UHFFFAOYSA-N 2 1 307.441 3.560 20 30 DHEDMP CC(C)C[N@@H+](CC1CCC(C#N)CC1)CC1CC[NH+](C)CC1 ZINC000931563654 1027171532 /nfs/dbraw/zinc/17/15/32/1027171532.db2.gz IRCLSYSHOTVSPJ-UHFFFAOYSA-N 2 1 305.510 3.616 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000601138773 1028003179 /nfs/dbraw/zinc/00/31/79/1028003179.db2.gz YDPAGBOAGVCSRX-HKUYNNGSSA-N 2 1 313.489 3.674 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000368515358 1028366125 /nfs/dbraw/zinc/36/61/25/1028366125.db2.gz USVAVHKIBAKEOK-XLIONFOSSA-N 2 1 313.489 3.738 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000815652817 1028594639 /nfs/dbraw/zinc/59/46/39/1028594639.db2.gz VDMLFNFIQCVHRS-MRXNPFEDSA-N 2 1 304.503 3.793 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000815652817 1028594649 /nfs/dbraw/zinc/59/46/49/1028594649.db2.gz VDMLFNFIQCVHRS-MRXNPFEDSA-N 2 1 304.503 3.793 20 30 DHEDMP N#CC1(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000411397535 1029123239 /nfs/dbraw/zinc/12/32/39/1029123239.db2.gz HUSBFWYJLAVMQO-HKUYNNGSSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CC1(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCC1 ZINC000411397535 1029123245 /nfs/dbraw/zinc/12/32/45/1029123245.db2.gz HUSBFWYJLAVMQO-HKUYNNGSSA-N 2 1 315.505 3.799 20 30 DHEDMP C[C@@H](CCC#N)[NH+]1CCCC2(CCC[N@@H+]([C@@H](C)CCC#N)C2)C1 ZINC000411758778 1029202891 /nfs/dbraw/zinc/20/28/91/1029202891.db2.gz VJNKWVFBVBVHJO-ADUPEVMXSA-N 2 1 316.493 3.549 20 30 DHEDMP C[C@@H](CCC#N)[NH+]1CCCC2(CCC[N@H+]([C@@H](C)CCC#N)C2)C1 ZINC000411758778 1029202911 /nfs/dbraw/zinc/20/29/11/1029202911.db2.gz VJNKWVFBVBVHJO-ADUPEVMXSA-N 2 1 316.493 3.549 20 30 DHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000248850955 1030774908 /nfs/dbraw/zinc/77/49/08/1030774908.db2.gz OSVXEAZULZFAGZ-IXDOHACOSA-N 2 1 317.502 3.632 20 30 DHEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000248850955 1030774924 /nfs/dbraw/zinc/77/49/24/1030774924.db2.gz OSVXEAZULZFAGZ-IXDOHACOSA-N 2 1 317.502 3.632 20 30 DHEDMP CCCCCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488793 1030905273 /nfs/dbraw/zinc/90/52/73/1030905273.db2.gz LNYNVDDGUKZIHM-MOPGFXCFSA-N 2 1 311.558 3.837 20 30 DHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360828761 1031578484 /nfs/dbraw/zinc/57/84/84/1031578484.db2.gz AHSDZUYCNOEMOR-BJLQDIEVSA-N 2 1 309.457 3.542 20 30 DHEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831437 1031578594 /nfs/dbraw/zinc/57/85/94/1031578594.db2.gz FIHWXTFNLAHGLT-FXAWDEMLSA-N 2 1 311.473 3.647 20 30 DHEDMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929777751 1031605819 /nfs/dbraw/zinc/60/58/19/1031605819.db2.gz OHVRRDQHONVRGY-UHFFFAOYSA-N 2 1 305.853 3.518 20 30 DHEDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929777751 1031605828 /nfs/dbraw/zinc/60/58/28/1031605828.db2.gz OHVRRDQHONVRGY-UHFFFAOYSA-N 2 1 305.853 3.518 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924696455 1033384223 /nfs/dbraw/zinc/38/42/23/1033384223.db2.gz DBCDBLITZXESJP-KRWDZBQOSA-N 2 1 313.489 3.877 20 30 DHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539588632 1035790566 /nfs/dbraw/zinc/79/05/66/1035790566.db2.gz PBEHSTCJIDBGRL-KRWDZBQOSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272219316 1036334116 /nfs/dbraw/zinc/33/41/16/1036334116.db2.gz RPYKOEZJIVIXCF-DYESRHJHSA-N 2 1 319.452 3.558 20 30 DHEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000492193680 1036782508 /nfs/dbraw/zinc/78/25/08/1036782508.db2.gz DXAGZCZOCPBVHM-UHFFFAOYSA-N 2 1 317.452 3.641 20 30 DHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000492193680 1036782526 /nfs/dbraw/zinc/78/25/26/1036782526.db2.gz DXAGZCZOCPBVHM-UHFFFAOYSA-N 2 1 317.452 3.641 20 30 DHEDMP CCCCCCCCCCCC[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001201633719 1037801901 /nfs/dbraw/zinc/80/19/01/1037801901.db2.gz IMJDLUUEBDUBBH-UHFFFAOYSA-N 2 1 323.569 3.839 20 30 DHEDMP CCCCCCCCN1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201814897 1037902006 /nfs/dbraw/zinc/90/20/06/1037902006.db2.gz TVLUZKPLCITMTO-UHFFFAOYSA-N 2 1 320.525 3.899 20 30 DHEDMP CCCCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201814897 1037902014 /nfs/dbraw/zinc/90/20/14/1037902014.db2.gz TVLUZKPLCITMTO-UHFFFAOYSA-N 2 1 320.525 3.899 20 30 DHEDMP CCCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201814897 1037902019 /nfs/dbraw/zinc/90/20/19/1037902019.db2.gz TVLUZKPLCITMTO-UHFFFAOYSA-N 2 1 320.525 3.899 20 30 DHEDMP CCCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201814897 1037902038 /nfs/dbraw/zinc/90/20/38/1037902038.db2.gz TVLUZKPLCITMTO-UHFFFAOYSA-N 2 1 320.525 3.899 20 30 DHEDMP CCCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201814897 1037902046 /nfs/dbraw/zinc/90/20/46/1037902046.db2.gz TVLUZKPLCITMTO-UHFFFAOYSA-N 2 1 320.525 3.899 20 30 DHEDMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071867 1039028707 /nfs/dbraw/zinc/02/87/07/1039028707.db2.gz UZCDRHCYSZNURH-FXAWDEMLSA-N 2 1 311.473 3.647 20 30 DHEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(Cl)s1 ZINC000574462263 1039690860 /nfs/dbraw/zinc/69/08/60/1039690860.db2.gz CBZMXOMWSTUMPJ-UHFFFAOYSA-N 2 1 309.866 3.756 20 30 DHEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(Cl)s1 ZINC000574462263 1039690874 /nfs/dbraw/zinc/69/08/74/1039690874.db2.gz CBZMXOMWSTUMPJ-UHFFFAOYSA-N 2 1 309.866 3.756 20 30 DHEDMP N#CC1(c2ccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2)CC1 ZINC000594938586 1039954195 /nfs/dbraw/zinc/95/41/95/1039954195.db2.gz LYKPJZSIEFGENH-UHFFFAOYSA-N 2 1 323.484 3.738 20 30 DHEDMP C[C@H](CCC#N)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602569663 1041099884 /nfs/dbraw/zinc/09/98/84/1041099884.db2.gz RAVAJVCPBLUYLU-XSYGEPLQSA-N 2 1 313.489 3.672 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000602565543 1041100790 /nfs/dbraw/zinc/10/07/90/1041100790.db2.gz RZFFPYDYUJOUDG-KTLDDFEXSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000602565543 1041100794 /nfs/dbraw/zinc/10/07/94/1041100794.db2.gz RZFFPYDYUJOUDG-KTLDDFEXSA-N 2 1 311.473 3.711 20 30 DHEDMP N#CCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643411 1041129132 /nfs/dbraw/zinc/12/91/32/1041129132.db2.gz QOAGSVLPYOQBHB-MJGOQNOKSA-N 2 1 309.457 3.638 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602789667 1041212705 /nfs/dbraw/zinc/21/27/05/1041212705.db2.gz YALMDPWPGUZAHN-QGZVFWFLSA-N 2 1 303.494 3.657 20 30 DHEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285526460 131177866 /nfs/dbraw/zinc/17/78/66/131177866.db2.gz FDKSBTCABVQQCR-INIZCTEOSA-N 2 1 311.429 3.666 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2OC)CC1 ZINC000153035532 332342457 /nfs/dbraw/zinc/34/24/57/332342457.db2.gz LDULKYZRYBSVMV-SFHVURJKSA-N 2 1 302.462 3.776 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC(C)(C)CCC#N)cc1F ZINC000174305069 333084747 /nfs/dbraw/zinc/08/47/47/333084747.db2.gz XJLGVDDILQZOOC-UHFFFAOYSA-N 2 1 314.408 3.739 20 30 DHEDMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000181846591 333172853 /nfs/dbraw/zinc/17/28/53/333172853.db2.gz XJZBXSXXPLCKQW-KRWDZBQOSA-N 2 1 317.477 3.748 20 30 DHEDMP N#CCCCC[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000183137832 333183205 /nfs/dbraw/zinc/18/32/05/333183205.db2.gz QCXCIBGJEMDRGT-AQNXPRMDSA-N 2 1 311.473 3.571 20 30 DHEDMP N#C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000185827030 333214788 /nfs/dbraw/zinc/21/47/88/333214788.db2.gz GGMIWYUZHYEQEB-SPYJTGKRSA-N 2 1 323.484 3.854 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414110696 333904711 /nfs/dbraw/zinc/90/47/11/333904711.db2.gz IMFUIHUCPDEDNN-DLBZAZTESA-N 2 1 308.510 3.599 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000274253555 334058021 /nfs/dbraw/zinc/05/80/21/334058021.db2.gz ZHVYKMRMWAMCNF-AFYVEPGGSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000274253555 334058022 /nfs/dbraw/zinc/05/80/22/334058022.db2.gz ZHVYKMRMWAMCNF-AFYVEPGGSA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344174390 335227223 /nfs/dbraw/zinc/22/72/23/335227223.db2.gz QSDSYFPCHMEWEO-IBGZPJMESA-N 2 1 302.437 3.833 20 30 DHEDMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000329923039 336095801 /nfs/dbraw/zinc/09/58/01/336095801.db2.gz GTGZWUJSJIVIID-QXSJWSMHSA-N 2 1 318.465 3.513 20 30 DHEDMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000329923039 336095802 /nfs/dbraw/zinc/09/58/02/336095802.db2.gz GTGZWUJSJIVIID-QXSJWSMHSA-N 2 1 318.465 3.513 20 30 DHEDMP Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000368649426 336849817 /nfs/dbraw/zinc/84/98/17/336849817.db2.gz DXMWESSDRYKWQN-XLIONFOSSA-N 2 1 311.473 3.631 20 30 DHEDMP CCCCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182568146 337189027 /nfs/dbraw/zinc/18/90/27/337189027.db2.gz CAIZZAJUKKCKSU-YOFSQIOKSA-N 2 1 321.553 3.590 20 30 DHEDMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000119950729 337395226 /nfs/dbraw/zinc/39/52/26/337395226.db2.gz HQAPHFRLUOJHRS-KRWDZBQOSA-N 2 1 319.452 3.873 20 30 DHEDMP C[C@H]1C[C@H](C[NH2+]CC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000120174969 337395458 /nfs/dbraw/zinc/39/54/58/337395458.db2.gz TTYWVTJPYSXOLS-PKOBYXMFSA-N 2 1 313.489 3.817 20 30 DHEDMP CC(C)(C#N)CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434744821 338224700 /nfs/dbraw/zinc/22/47/00/338224700.db2.gz FBRJSOOEQXUYAW-UHFFFAOYSA-N 2 1 314.477 3.729 20 30 DHEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000449737558 338649417 /nfs/dbraw/zinc/64/94/17/338649417.db2.gz SESQUIHXMILHEZ-UHFFFAOYSA-N 2 1 315.436 3.584 20 30 DHEDMP C[NH+](C)CCCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000501796376 340088946 /nfs/dbraw/zinc/08/89/46/340088946.db2.gz SVXCWUNUGRNPON-UHFFFAOYSA-N 2 1 318.892 3.745 20 30 DHEDMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512667905 340371981 /nfs/dbraw/zinc/37/19/81/340371981.db2.gz RUWOZVFDSFEMBP-GUYCJALGSA-N 2 1 305.441 3.714 20 30 DHEDMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)cc1F ZINC000512667904 340372122 /nfs/dbraw/zinc/37/21/22/340372122.db2.gz RUWOZVFDSFEMBP-DYVFJYSZSA-N 2 1 305.441 3.714 20 30 DHEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000131156680 341063248 /nfs/dbraw/zinc/06/32/48/341063248.db2.gz HOBWQIFUHPMYEI-IBGZPJMESA-N 2 1 314.473 3.559 20 30 DHEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000131156680 341063249 /nfs/dbraw/zinc/06/32/49/341063249.db2.gz HOBWQIFUHPMYEI-IBGZPJMESA-N 2 1 314.473 3.559 20 30 DHEDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255315 341234376 /nfs/dbraw/zinc/23/43/76/341234376.db2.gz LXSVIIKJWMSBLW-SFHVURJKSA-N 2 1 313.489 3.794 20 30 DHEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255315 341234377 /nfs/dbraw/zinc/23/43/77/341234377.db2.gz LXSVIIKJWMSBLW-SFHVURJKSA-N 2 1 313.489 3.794 20 30 DHEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255315 341234378 /nfs/dbraw/zinc/23/43/78/341234378.db2.gz LXSVIIKJWMSBLW-SFHVURJKSA-N 2 1 313.489 3.794 20 30 DHEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255315 341234379 /nfs/dbraw/zinc/23/43/79/341234379.db2.gz LXSVIIKJWMSBLW-SFHVURJKSA-N 2 1 313.489 3.794 20 30 DHEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1C(C)(C)C#N ZINC000135255315 341234380 /nfs/dbraw/zinc/23/43/80/341234380.db2.gz LXSVIIKJWMSBLW-SFHVURJKSA-N 2 1 313.489 3.794 20 30 DHEDMP C#CCCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001209266847 1013139362 /nfs/dbraw/zinc/13/93/62/1013139362.db2.gz DTNBUFHONOVSAF-UHOSZYNNSA-N 2 1 316.514 3.694 20 30 DHEDMP C#CCCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209266847 1013139371 /nfs/dbraw/zinc/13/93/71/1013139371.db2.gz DTNBUFHONOVSAF-UHOSZYNNSA-N 2 1 316.514 3.694 20 30 DHEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019716 1014953634 /nfs/dbraw/zinc/95/36/34/1014953634.db2.gz JMZXJZSLVJKDIB-SCAQPMJSSA-N 2 1 306.519 3.726 20 30 DHEDMP C[C@@H]1CC([NH+]2CCC(C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039023 1015495244 /nfs/dbraw/zinc/49/52/44/1015495244.db2.gz AYSYVHMSZIMLLY-IAGOWNOFSA-N 2 1 311.473 3.664 20 30 DHEDMP C=CCOC1CCC([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317918 1033712463 /nfs/dbraw/zinc/71/24/63/1033712463.db2.gz QPEXGPZLYMNZRZ-POSCCBCBSA-N 2 1 308.510 3.728 20 30 DHEDMP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443985369 1016566823 /nfs/dbraw/zinc/56/68/23/1016566823.db2.gz UGSRDPHLMVKLNK-CALCHBBNSA-N 2 1 313.489 3.714 20 30 DHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(C)(C)CCC#N)C1 ZINC000092588090 1032504433 /nfs/dbraw/zinc/50/44/33/1032504433.db2.gz UGPZZUSUEBTOQV-ZWKOTPCHSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000092588090 1032504444 /nfs/dbraw/zinc/50/44/44/1032504444.db2.gz UGPZZUSUEBTOQV-ZWKOTPCHSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000092588090 1032504452 /nfs/dbraw/zinc/50/44/52/1032504452.db2.gz UGPZZUSUEBTOQV-ZWKOTPCHSA-N 2 1 305.510 3.903 20 30 DHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000092587881 1032504575 /nfs/dbraw/zinc/50/45/75/1032504575.db2.gz MVPGMPBMKWDVST-SFHVURJKSA-N 2 1 305.510 3.760 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424324911 1011982801 /nfs/dbraw/zinc/98/28/01/1011982801.db2.gz KKEGMVQRNMBLQN-YMQHIKHWSA-N 2 1 323.484 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182870068 1017965846 /nfs/dbraw/zinc/96/58/46/1017965846.db2.gz QPQCWMMUSXCQEE-LJQANCHMSA-N 2 1 302.437 3.833 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000367898932 1018092699 /nfs/dbraw/zinc/09/26/99/1018092699.db2.gz FZCNZKAXUASGCC-IEBWSBKVSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000367898932 1018092714 /nfs/dbraw/zinc/09/27/14/1018092714.db2.gz FZCNZKAXUASGCC-IEBWSBKVSA-N 2 1 313.489 3.817 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000152993381 1018711799 /nfs/dbraw/zinc/71/17/99/1018711799.db2.gz MBVHKSSIMGCTOA-HNNXBMFYSA-N 2 1 317.433 3.594 20 30 DHEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000657915077 1019978831 /nfs/dbraw/zinc/97/88/31/1019978831.db2.gz HVCGPHIFFHYPKY-MOPGFXCFSA-N 2 1 320.521 3.746 20 30 DHEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348025645 1020480132 /nfs/dbraw/zinc/48/01/32/1020480132.db2.gz COICNKVBNKAGJD-ICSRJNTNSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348025645 1020480135 /nfs/dbraw/zinc/48/01/35/1020480135.db2.gz COICNKVBNKAGJD-ICSRJNTNSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000348025645 1020480139 /nfs/dbraw/zinc/48/01/39/1020480139.db2.gz COICNKVBNKAGJD-ICSRJNTNSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000348025645 1020480143 /nfs/dbraw/zinc/48/01/43/1020480143.db2.gz COICNKVBNKAGJD-ICSRJNTNSA-N 2 1 316.489 3.564 20 30 DHEDMP C=CCOc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482802 1020590775 /nfs/dbraw/zinc/59/07/75/1020590775.db2.gz ABKNDWHVGKPMDY-UHFFFAOYSA-N 2 1 320.864 3.621 20 30 DHEDMP C=CCOc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Cl ZINC000647482802 1020590778 /nfs/dbraw/zinc/59/07/78/1020590778.db2.gz ABKNDWHVGKPMDY-UHFFFAOYSA-N 2 1 320.864 3.621 20 30 DHEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000414174646 1020963093 /nfs/dbraw/zinc/96/30/93/1020963093.db2.gz GQZZHKNYHGCWJL-OXQOHEQNSA-N 2 1 311.473 3.647 20 30 DHEDMP CC(C)(S)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077272 1032980369 /nfs/dbraw/zinc/98/03/69/1032980369.db2.gz QNUBPJQWKALPSC-BCDXTJNWSA-N 2 1 318.530 3.870 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000556584287 1021782941 /nfs/dbraw/zinc/78/29/41/1021782941.db2.gz SZDARYKPHTYUSB-NRFANRHFSA-N 2 1 312.501 3.946 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(C)cc2)CC1 ZINC000152937285 1021891999 /nfs/dbraw/zinc/89/19/99/1021891999.db2.gz RYQUWIMHTRZWBK-SFHVURJKSA-N 2 1 300.490 3.946 20 30 DHEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000584810438 1022768613 /nfs/dbraw/zinc/76/86/13/1022768613.db2.gz RVZRSGJFNPZOTJ-NRFANRHFSA-N 2 1 323.484 3.932 20 30 DHEDMP Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212429 1033100479 /nfs/dbraw/zinc/10/04/79/1033100479.db2.gz JRCCLBAXEZBYRR-UHFFFAOYSA-N 2 1 307.441 3.560 20 30 DHEDMP CC1(C)C[N@H+](CCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453019406 1024276915 /nfs/dbraw/zinc/27/69/15/1024276915.db2.gz OWDFZBAGEUUAQQ-LJQANCHMSA-N 2 1 311.473 3.523 20 30 DHEDMP CC1(C)C[N@@H+](CCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453019406 1024276926 /nfs/dbraw/zinc/27/69/26/1024276926.db2.gz OWDFZBAGEUUAQQ-LJQANCHMSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285586 1024438417 /nfs/dbraw/zinc/43/84/17/1024438417.db2.gz BUDRDQPIOULHOP-QGZVKYPTSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453285586 1024438420 /nfs/dbraw/zinc/43/84/20/1024438420.db2.gz BUDRDQPIOULHOP-QGZVKYPTSA-N 2 1 311.473 3.569 20 30 DHEDMP C[N@@H+](CCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21)C1CC1 ZINC000453403779 1024500820 /nfs/dbraw/zinc/50/08/20/1024500820.db2.gz OWUMMGKNMYDGGK-FQEVSTJZSA-N 2 1 311.473 3.790 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001206047734 1024748302 /nfs/dbraw/zinc/74/83/02/1024748302.db2.gz LEDMNBKOYVUELR-WMZOPIPTSA-N 2 1 304.865 3.521 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001206047734 1024748310 /nfs/dbraw/zinc/74/83/10/1024748310.db2.gz LEDMNBKOYVUELR-WMZOPIPTSA-N 2 1 304.865 3.521 20 30 DHEDMP N#CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353669507 1025191293 /nfs/dbraw/zinc/19/12/93/1025191293.db2.gz CPLVAENJDRGJSF-VAMGGRTRSA-N 2 1 311.473 3.571 20 30 DHEDMP N#CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353669505 1025192061 /nfs/dbraw/zinc/19/20/61/1025192061.db2.gz CPLVAENJDRGJSF-HSALFYBXSA-N 2 1 311.473 3.571 20 30 DHEDMP Cc1[nH]c(C2CC[NH+](CCCCC(C)(C)C#N)CC2)[nH+]c1C ZINC000886662529 1025770480 /nfs/dbraw/zinc/77/04/80/1025770480.db2.gz GFHABOHLRFTXHA-UHFFFAOYSA-N 2 1 302.466 3.926 20 30 DHEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168945 1025790572 /nfs/dbraw/zinc/79/05/72/1025790572.db2.gz KHZFQAXAGGNGLL-GOSISDBHSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168945 1025790585 /nfs/dbraw/zinc/79/05/85/1025790585.db2.gz KHZFQAXAGGNGLL-GOSISDBHSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168945 1025790602 /nfs/dbraw/zinc/79/06/02/1025790602.db2.gz KHZFQAXAGGNGLL-GOSISDBHSA-N 2 1 313.489 3.651 20 30 DHEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168945 1025790619 /nfs/dbraw/zinc/79/06/19/1025790619.db2.gz KHZFQAXAGGNGLL-GOSISDBHSA-N 2 1 313.489 3.651 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894228916 1026525914 /nfs/dbraw/zinc/52/59/14/1026525914.db2.gz JLUNTXYCJPDPFC-UHFFFAOYSA-N 2 1 316.470 3.737 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000809556118 1026558934 /nfs/dbraw/zinc/55/89/34/1026558934.db2.gz ICTRBSNIMRNNJB-WIYYLYMNSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000809556118 1026558937 /nfs/dbraw/zinc/55/89/37/1026558937.db2.gz ICTRBSNIMRNNJB-WIYYLYMNSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000809556118 1026558940 /nfs/dbraw/zinc/55/89/40/1026558940.db2.gz ICTRBSNIMRNNJB-WIYYLYMNSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000809556118 1026558944 /nfs/dbraw/zinc/55/89/44/1026558944.db2.gz ICTRBSNIMRNNJB-WIYYLYMNSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809610791 1026562910 /nfs/dbraw/zinc/56/29/10/1026562910.db2.gz DYESSMCUBAUSEY-JOCHJYFZSA-N 2 1 318.464 3.670 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000809611282 1026563338 /nfs/dbraw/zinc/56/33/38/1026563338.db2.gz YFFHOCINHMOAJD-LJQANCHMSA-N 2 1 324.493 3.731 20 30 DHEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000809611282 1026563349 /nfs/dbraw/zinc/56/33/49/1026563349.db2.gz YFFHOCINHMOAJD-LJQANCHMSA-N 2 1 324.493 3.731 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(C)cc2O)CC1 ZINC000280193651 1026608460 /nfs/dbraw/zinc/60/84/60/1026608460.db2.gz SJOWQPVCESRJEX-GOSISDBHSA-N 2 1 302.462 3.782 20 30 DHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193643 1026705838 /nfs/dbraw/zinc/70/58/38/1026705838.db2.gz PFYIDFYOESMIAI-TXPKVOOTSA-N 2 1 311.473 3.862 20 30 DHEDMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421356941 1026971277 /nfs/dbraw/zinc/97/12/77/1026971277.db2.gz YVBMVJFHPQWURB-KDOFPFPSSA-N 2 1 317.502 3.752 20 30 DHEDMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC000572428641 1027201639 /nfs/dbraw/zinc/20/16/39/1027201639.db2.gz GSDBKFWJSCUBIB-NHCUHLMSSA-N 2 1 319.452 3.526 20 30 DHEDMP C[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC000572428641 1027201656 /nfs/dbraw/zinc/20/16/56/1027201656.db2.gz GSDBKFWJSCUBIB-NHCUHLMSSA-N 2 1 319.452 3.526 20 30 DHEDMP Cc1cccc(NC2CC[NH+](CCCC(C)(C)C#N)CC2)[nH+]1 ZINC000363353570 1027607286 /nfs/dbraw/zinc/60/72/86/1027607286.db2.gz UTHZCXBINXEMAT-UHFFFAOYSA-N 2 1 300.450 3.596 20 30 DHEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000365598211 1027975957 /nfs/dbraw/zinc/97/59/57/1027975957.db2.gz KQAATSIBIZYPBE-FUHWJXTLSA-N 2 1 303.494 3.655 20 30 DHEDMP CC(C)(C#N)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365598211 1027975965 /nfs/dbraw/zinc/97/59/65/1027975965.db2.gz KQAATSIBIZYPBE-FUHWJXTLSA-N 2 1 303.494 3.655 20 30 DHEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367208167 1028147856 /nfs/dbraw/zinc/14/78/56/1028147856.db2.gz HWIHZEIXNCWORV-LPHOPBHVSA-N 2 1 323.484 3.816 20 30 DHEDMP CC(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCC(C)CC1 ZINC000449077984 1028340736 /nfs/dbraw/zinc/34/07/36/1028340736.db2.gz LGGAVMATZRLYGI-JLAWEPINSA-N 2 1 305.510 3.805 20 30 DHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000815651738 1028595904 /nfs/dbraw/zinc/59/59/04/1028595904.db2.gz BTCBFIUOLSSMFI-OAHLLOKOSA-N 2 1 311.256 3.525 20 30 DHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000815651738 1028595917 /nfs/dbraw/zinc/59/59/17/1028595917.db2.gz BTCBFIUOLSSMFI-OAHLLOKOSA-N 2 1 311.256 3.525 20 30 DHEDMP C=CCC[C@H](CC)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370662617 1028631755 /nfs/dbraw/zinc/63/17/55/1028631755.db2.gz MYPUUYGYSINDMU-IBGZPJMESA-N 3 1 321.553 3.517 20 30 DHEDMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000373812649 1029140316 /nfs/dbraw/zinc/14/03/16/1029140316.db2.gz NYGZLDUOVBTZRJ-LJQANCHMSA-N 2 1 307.441 3.695 20 30 DHEDMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000373812649 1029140319 /nfs/dbraw/zinc/14/03/19/1029140319.db2.gz NYGZLDUOVBTZRJ-LJQANCHMSA-N 2 1 307.441 3.695 20 30 DHEDMP CCCCCCCC[C@@H](CC)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246149147 1029894490 /nfs/dbraw/zinc/89/44/90/1029894490.db2.gz ABRLFAJYLSWXPI-SJORKVTESA-N 2 1 314.514 3.776 20 30 DHEDMP CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1[O-] ZINC000925309386 1030341688 /nfs/dbraw/zinc/34/16/88/1030341688.db2.gz ZNYBIAIIPUDKNS-KRWDZBQOSA-N 2 1 315.461 3.567 20 30 DHEDMP N#CCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248163826 1030722062 /nfs/dbraw/zinc/72/20/62/1030722062.db2.gz SPLUVZJGMHXQFY-WOJBJXKFSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248163826 1030722073 /nfs/dbraw/zinc/72/20/73/1030722073.db2.gz SPLUVZJGMHXQFY-WOJBJXKFSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248163826 1030722088 /nfs/dbraw/zinc/72/20/88/1030722088.db2.gz SPLUVZJGMHXQFY-WOJBJXKFSA-N 2 1 311.473 3.667 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404368 1030742975 /nfs/dbraw/zinc/74/29/75/1030742975.db2.gz QCXCIBGJEMDRGT-XUVXKRRUSA-N 2 1 311.473 3.571 20 30 DHEDMP CCCCCCCCCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246488812 1030904272 /nfs/dbraw/zinc/90/42/72/1030904272.db2.gz LNYNVDDGUKZIHM-OALUTQOASA-N 2 1 311.558 3.837 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000559111261 1031130158 /nfs/dbraw/zinc/13/01/58/1031130158.db2.gz QFXUTEUNDDQPAC-NZSAHSFTSA-N 2 1 303.494 3.655 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000872139707 1031533682 /nfs/dbraw/zinc/53/36/82/1031533682.db2.gz OASJLEOHSKPAKA-PRMSZOBUSA-N 2 1 322.496 3.964 20 30 DHEDMP C[N@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790284 1031563319 /nfs/dbraw/zinc/56/33/19/1031563319.db2.gz DJWHGYRADHKFPC-QRVBRYPASA-N 2 1 311.473 3.551 20 30 DHEDMP C[NH+]1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790284 1031563327 /nfs/dbraw/zinc/56/33/27/1031563327.db2.gz DJWHGYRADHKFPC-QRVBRYPASA-N 2 1 311.473 3.551 20 30 DHEDMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790284 1031563337 /nfs/dbraw/zinc/56/33/37/1031563337.db2.gz DJWHGYRADHKFPC-QRVBRYPASA-N 2 1 311.473 3.551 20 30 DHEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198257 1031694525 /nfs/dbraw/zinc/69/45/25/1031694525.db2.gz JEBAQZHICFEDAK-QSFXBCCZSA-N 2 1 311.473 3.614 20 30 DHEDMP CC[NH+](CC)C1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001173110500 1033545923 /nfs/dbraw/zinc/54/59/23/1033545923.db2.gz UNBZSVORKNFBPD-UHFFFAOYSA-N 2 1 311.473 3.569 20 30 DHEDMP C=CCOC1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173320942 1033685441 /nfs/dbraw/zinc/68/54/41/1033685441.db2.gz UJOQBMQOXNGQHS-HDYDNRTBSA-N 2 1 320.521 3.841 20 30 DHEDMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)CC1 ZINC000174254329 1033916266 /nfs/dbraw/zinc/91/62/66/1033916266.db2.gz WNLMAPQJINJCQU-UHFFFAOYSA-N 2 1 323.440 3.673 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000080338241 1034842942 /nfs/dbraw/zinc/84/29/42/1034842942.db2.gz MVWDCKCDLKUSEV-HKUYNNGSSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000080338241 1034842953 /nfs/dbraw/zinc/84/29/53/1034842953.db2.gz MVWDCKCDLKUSEV-HKUYNNGSSA-N 2 1 313.489 3.959 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539588639 1035792453 /nfs/dbraw/zinc/79/24/53/1035792453.db2.gz PBEHSTCJIDBGRL-QGZVFWFLSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000271952661 1036761241 /nfs/dbraw/zinc/76/12/41/1036761241.db2.gz PASHSXKDMVQJDN-CQSZACIVSA-N 2 1 315.436 3.755 20 30 DHEDMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1C#N ZINC000443998397 1036989846 /nfs/dbraw/zinc/98/98/46/1036989846.db2.gz UHFXEQJMTPNUPK-UHFFFAOYSA-N 2 1 311.473 3.753 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(SCC)c2)CC1 ZINC000185523586 1037815373 /nfs/dbraw/zinc/81/53/73/1037815373.db2.gz KIUQACINJKLZDR-UHFFFAOYSA-N 2 1 304.503 3.929 20 30 DHEDMP N#CC1(c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)CC1 ZINC000597013028 1040623811 /nfs/dbraw/zinc/62/38/11/1040623811.db2.gz ACYRKSBXRNNRFB-LJQANCHMSA-N 2 1 323.484 3.550 20 30 DHEDMP N#CC1(c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)CC1 ZINC000597013028 1040623818 /nfs/dbraw/zinc/62/38/18/1040623818.db2.gz ACYRKSBXRNNRFB-LJQANCHMSA-N 2 1 323.484 3.550 20 30 DHEDMP C[C@H](CCC#N)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000602474833 1041041596 /nfs/dbraw/zinc/04/15/96/1041041596.db2.gz NZVVLKZRAJBQSP-WSTZPKSXSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000602474833 1041041604 /nfs/dbraw/zinc/04/16/04/1041041604.db2.gz NZVVLKZRAJBQSP-WSTZPKSXSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602474833 1041041614 /nfs/dbraw/zinc/04/16/14/1041041614.db2.gz NZVVLKZRAJBQSP-WSTZPKSXSA-N 2 1 313.489 3.911 20 30 DHEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602474833 1041041623 /nfs/dbraw/zinc/04/16/23/1041041623.db2.gz NZVVLKZRAJBQSP-WSTZPKSXSA-N 2 1 313.489 3.911 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602515630 1041064861 /nfs/dbraw/zinc/06/48/61/1041064861.db2.gz ANSUVEBYHLRHTL-UHFFFAOYSA-N 2 1 311.473 3.631 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000602552146 1041094024 /nfs/dbraw/zinc/09/40/24/1041094024.db2.gz UBTFDOPNOXLOMG-INMHGKMJSA-N 2 1 305.491 3.660 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000602552146 1041094042 /nfs/dbraw/zinc/09/40/42/1041094042.db2.gz UBTFDOPNOXLOMG-INMHGKMJSA-N 2 1 305.491 3.660 20 30 DHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602564224 1041098360 /nfs/dbraw/zinc/09/83/60/1041098360.db2.gz RBLXYPKKMBMESS-OYGLOCFBSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602564224 1041098373 /nfs/dbraw/zinc/09/83/73/1041098373.db2.gz RBLXYPKKMBMESS-OYGLOCFBSA-N 2 1 311.473 3.569 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602569956 1041103476 /nfs/dbraw/zinc/10/34/76/1041103476.db2.gz FCCUPQPMYDVNSS-MXWWQKGMSA-N 2 1 308.429 3.914 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602692129 1041154799 /nfs/dbraw/zinc/15/47/99/1041154799.db2.gz UJMCYGGMYVRIKX-PKOBYXMFSA-N 2 1 311.473 3.884 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602692129 1041154804 /nfs/dbraw/zinc/15/48/04/1041154804.db2.gz UJMCYGGMYVRIKX-PKOBYXMFSA-N 2 1 311.473 3.884 20 30 DHEDMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000602739055 1041189439 /nfs/dbraw/zinc/18/94/39/1041189439.db2.gz PIEQIYXFGHWDRQ-UHFFFAOYSA-N 2 1 313.489 3.794 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2cccc(F)c2)CC1 ZINC000152990035 332333648 /nfs/dbraw/zinc/33/36/48/332333648.db2.gz VXOZPNYNICBVFN-MRXNPFEDSA-N 2 1 304.453 3.777 20 30 DHEDMP C[N@H+](CC(C)(C)CCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119334503 332369857 /nfs/dbraw/zinc/36/98/57/332369857.db2.gz HLSWTDJCDJBPHW-UHFFFAOYSA-N 2 1 313.489 3.913 20 30 DHEDMP C[N@@H+](CC(C)(C)CCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119334503 332369859 /nfs/dbraw/zinc/36/98/59/332369859.db2.gz HLSWTDJCDJBPHW-UHFFFAOYSA-N 2 1 313.489 3.913 20 30 DHEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185783802 333214180 /nfs/dbraw/zinc/21/41/80/333214180.db2.gz AOBVRDCBSVJYGU-FXAWDEMLSA-N 2 1 311.473 3.631 20 30 DHEDMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000365235814 333399556 /nfs/dbraw/zinc/39/95/56/333399556.db2.gz YZBXVDSJNRVEKY-IBGZPJMESA-N 2 1 307.441 3.523 20 30 DHEDMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000365235814 333399558 /nfs/dbraw/zinc/39/95/58/333399558.db2.gz YZBXVDSJNRVEKY-IBGZPJMESA-N 2 1 307.441 3.523 20 30 DHEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000292829363 334192923 /nfs/dbraw/zinc/19/29/23/334192923.db2.gz OPUDVVJJCZNXSH-CGXNFDGLSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000292829363 334192924 /nfs/dbraw/zinc/19/29/24/334192924.db2.gz OPUDVVJJCZNXSH-CGXNFDGLSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000292829363 334192926 /nfs/dbraw/zinc/19/29/26/334192926.db2.gz OPUDVVJJCZNXSH-CGXNFDGLSA-N 2 1 323.484 3.665 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000295084833 334218109 /nfs/dbraw/zinc/21/81/09/334218109.db2.gz QTIJPFAPIXTJGP-HFTRVMKXSA-N 2 1 308.429 3.914 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000368515359 336846472 /nfs/dbraw/zinc/84/64/72/336846472.db2.gz USVAVHKIBAKEOK-YLJYHZDGSA-N 2 1 313.489 3.738 20 30 DHEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353569 337070753 /nfs/dbraw/zinc/07/07/53/337070753.db2.gz GEFNDOWNRPFQSL-FQEVSTJZSA-N 2 1 309.457 3.522 20 30 DHEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353569 337070754 /nfs/dbraw/zinc/07/07/54/337070754.db2.gz GEFNDOWNRPFQSL-FQEVSTJZSA-N 2 1 309.457 3.522 20 30 DHEDMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353569 337070755 /nfs/dbraw/zinc/07/07/55/337070755.db2.gz GEFNDOWNRPFQSL-FQEVSTJZSA-N 2 1 309.457 3.522 20 30 DHEDMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353569 337070756 /nfs/dbraw/zinc/07/07/56/337070756.db2.gz GEFNDOWNRPFQSL-FQEVSTJZSA-N 2 1 309.457 3.522 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC#Cc2ccccc2)cc1 ZINC000192161125 337303550 /nfs/dbraw/zinc/30/35/50/337303550.db2.gz PVFRDVQWJOGPKQ-KRWDZBQOSA-N 2 1 315.420 3.883 20 30 DHEDMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507637984 340227087 /nfs/dbraw/zinc/22/70/87/340227087.db2.gz RDIPCYQLEUDWNV-KKXNLOMOSA-N 2 1 313.489 3.710 20 30 DHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000510957463 340316244 /nfs/dbraw/zinc/31/62/44/340316244.db2.gz GYYMAXLGFHQALH-FHWLQOOXSA-N 2 1 311.473 3.569 20 30 DHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000510957463 340316245 /nfs/dbraw/zinc/31/62/45/340316245.db2.gz GYYMAXLGFHQALH-FHWLQOOXSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C#N)cc1F ZINC000512621430 340369525 /nfs/dbraw/zinc/36/95/25/340369525.db2.gz XWMJWMMCNGFDJT-LBPRGKRZSA-N 2 1 303.425 3.657 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000540594729 340937354 /nfs/dbraw/zinc/93/73/54/340937354.db2.gz ZFMPMVGQWZLPPG-RTBURBONSA-N 2 1 320.521 3.744 20 30 DHEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000237132636 341207865 /nfs/dbraw/zinc/20/78/65/341207865.db2.gz BVOKPYKJARKQRY-UHFFFAOYSA-N 2 1 321.468 3.806 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000237132636 341207866 /nfs/dbraw/zinc/20/78/66/341207866.db2.gz BVOKPYKJARKQRY-UHFFFAOYSA-N 2 1 321.468 3.806 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249413003 341397441 /nfs/dbraw/zinc/39/74/41/341397441.db2.gz YJCBYWOEAKKNQL-ZTNFWEORSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249413003 341397442 /nfs/dbraw/zinc/39/74/42/341397442.db2.gz YJCBYWOEAKKNQL-ZTNFWEORSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249413003 341397443 /nfs/dbraw/zinc/39/74/43/341397443.db2.gz YJCBYWOEAKKNQL-ZTNFWEORSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249413003 341397444 /nfs/dbraw/zinc/39/74/44/341397444.db2.gz YJCBYWOEAKKNQL-ZTNFWEORSA-N 2 1 309.457 3.568 20 30 DHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000181696755 520257378 /nfs/dbraw/zinc/25/73/78/520257378.db2.gz YBUBBHNPVMFDNV-INIZCTEOSA-N 2 1 307.441 3.861 20 30 DHEDMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000442833941 1014747025 /nfs/dbraw/zinc/74/70/25/1014747025.db2.gz VTOTZBGGHWJNHD-RSPOEFSDSA-N 2 1 311.473 3.569 20 30 DHEDMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC000185159051 1015179013 /nfs/dbraw/zinc/17/90/13/1015179013.db2.gz IPVVUOPVBHNTDM-UHFFFAOYSA-N 2 1 305.491 3.754 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000424319612 1011977298 /nfs/dbraw/zinc/97/72/98/1011977298.db2.gz FFXIGINLSKGHMU-XDWAVFMPSA-N 2 1 323.484 3.711 20 30 DHEDMP C=C(C)[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000274848988 1012742714 /nfs/dbraw/zinc/74/27/14/1012742714.db2.gz FLXWZXQMYYCGHO-QGZVFWFLSA-N 2 1 305.372 3.767 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166960 1019077286 /nfs/dbraw/zinc/07/72/86/1019077286.db2.gz ZIBNZFPCHKLELT-YQQAZPJKSA-N 2 1 322.880 3.951 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166960 1019077292 /nfs/dbraw/zinc/07/72/92/1019077292.db2.gz ZIBNZFPCHKLELT-YQQAZPJKSA-N 2 1 322.880 3.951 20 30 DHEDMP CC1(C)C[C@@H](NCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171964911 1032935062 /nfs/dbraw/zinc/93/50/62/1032935062.db2.gz NIQPSMUYSULQLC-SFHVURJKSA-N 2 1 311.473 3.713 20 30 DHEDMP CCCCCCCCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000740878214 1020960237 /nfs/dbraw/zinc/96/02/37/1020960237.db2.gz UORDOZWLMUAGCY-FQEVSTJZSA-N 2 1 323.569 3.839 20 30 DHEDMP CC1(C)C[C@H]([NH+]2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976438 1032960921 /nfs/dbraw/zinc/96/09/21/1032960921.db2.gz LGRIPCGNCPFGMX-LJQANCHMSA-N 2 1 311.473 3.665 20 30 DHEDMP CC1(C)C[C@H]([NH+]2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976438 1032960932 /nfs/dbraw/zinc/96/09/32/1032960932.db2.gz LGRIPCGNCPFGMX-LJQANCHMSA-N 2 1 311.473 3.665 20 30 DHEDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000181513386 1021222088 /nfs/dbraw/zinc/22/20/88/1021222088.db2.gz VABIHBYRDWZBSN-KSZLIROESA-N 2 1 313.489 3.967 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092588055 1021770647 /nfs/dbraw/zinc/77/06/47/1021770647.db2.gz YEPKJMVPFGCBGW-HZPDHXFCSA-N 2 1 317.502 3.706 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000153034645 1021936887 /nfs/dbraw/zinc/93/68/87/1021936887.db2.gz GPYURLOIYNUMOB-SFHVURJKSA-N 2 1 304.865 3.957 20 30 DHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3cccc(C#N)c3)CC1)C2 ZINC001172120997 1033027100 /nfs/dbraw/zinc/02/71/00/1033027100.db2.gz BDWFQFBHJHADIB-AERCQKQUSA-N 2 1 323.484 3.753 20 30 DHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3cccc(C#N)c3)CC1)C2 ZINC001172120997 1033027108 /nfs/dbraw/zinc/02/71/08/1033027108.db2.gz BDWFQFBHJHADIB-AERCQKQUSA-N 2 1 323.484 3.753 20 30 DHEDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308692 1033078387 /nfs/dbraw/zinc/07/83/87/1033078387.db2.gz ZBRICZHKZYXIKO-KRWDZBQOSA-N 2 1 313.489 3.541 20 30 DHEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300243 1033107004 /nfs/dbraw/zinc/10/70/04/1033107004.db2.gz UEYUTNWPOQVUMN-XFQXTVEOSA-N 2 1 311.473 3.614 20 30 DHEDMP C[C@H](CCCC#N)[N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488214 1033220479 /nfs/dbraw/zinc/22/04/79/1033220479.db2.gz RIOFTQPEUZZZBX-ATZDWAIDSA-N 2 1 317.452 3.980 20 30 DHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172498290 1033230028 /nfs/dbraw/zinc/23/00/28/1033230028.db2.gz LCNPGHAYNINKEI-HOJAQTOUSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172498290 1033230036 /nfs/dbraw/zinc/23/00/36/1033230036.db2.gz LCNPGHAYNINKEI-HOJAQTOUSA-N 2 1 311.473 3.523 20 30 DHEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172498290 1033230046 /nfs/dbraw/zinc/23/00/46/1033230046.db2.gz LCNPGHAYNINKEI-HOJAQTOUSA-N 2 1 311.473 3.523 20 30 DHEDMP CCCCCCCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001172502552 1033232483 /nfs/dbraw/zinc/23/24/83/1033232483.db2.gz JOJNXMNURIQLKN-SJORKVTESA-N 2 1 314.514 3.776 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869384 1033250153 /nfs/dbraw/zinc/25/01/53/1033250153.db2.gz ARCSQHHSPYBHFC-XFQXTVEOSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869384 1033250167 /nfs/dbraw/zinc/25/01/67/1033250167.db2.gz ARCSQHHSPYBHFC-XFQXTVEOSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869384 1033250178 /nfs/dbraw/zinc/25/01/78/1033250178.db2.gz ARCSQHHSPYBHFC-XFQXTVEOSA-N 2 1 309.457 3.568 20 30 DHEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869384 1033250200 /nfs/dbraw/zinc/25/02/00/1033250200.db2.gz ARCSQHHSPYBHFC-XFQXTVEOSA-N 2 1 309.457 3.568 20 30 DHEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166875 1025787100 /nfs/dbraw/zinc/78/71/00/1025787100.db2.gz VJHKIAPRNYDQRN-UHFFFAOYSA-N 2 1 313.489 3.792 20 30 DHEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175411 1025810955 /nfs/dbraw/zinc/81/09/55/1025810955.db2.gz MFAPOHDVWMMXBA-LPHOPBHVSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175411 1025810970 /nfs/dbraw/zinc/81/09/70/1025810970.db2.gz MFAPOHDVWMMXBA-LPHOPBHVSA-N 2 1 313.489 3.650 20 30 DHEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175411 1025810997 /nfs/dbraw/zinc/81/09/97/1025810997.db2.gz MFAPOHDVWMMXBA-LPHOPBHVSA-N 2 1 313.489 3.650 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556114 1026559549 /nfs/dbraw/zinc/55/95/49/1026559549.db2.gz ICTRBSNIMRNNJB-GHTZIAJQSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556114 1026559555 /nfs/dbraw/zinc/55/95/55/1026559555.db2.gz ICTRBSNIMRNNJB-GHTZIAJQSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556114 1026559560 /nfs/dbraw/zinc/55/95/60/1026559560.db2.gz ICTRBSNIMRNNJB-GHTZIAJQSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556114 1026559567 /nfs/dbraw/zinc/55/95/67/1026559567.db2.gz ICTRBSNIMRNNJB-GHTZIAJQSA-N 2 1 310.485 3.754 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000809625015 1026575511 /nfs/dbraw/zinc/57/55/11/1026575511.db2.gz UASJNZDRNOPUJT-XMSQKQJNSA-N 2 1 318.464 3.811 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000809625015 1026575517 /nfs/dbraw/zinc/57/55/17/1026575517.db2.gz UASJNZDRNOPUJT-XMSQKQJNSA-N 2 1 318.464 3.811 20 30 DHEDMP C=CCOc1ccccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956702 1027544062 /nfs/dbraw/zinc/54/40/62/1027544062.db2.gz KKQUBRFKNUFWOM-UHFFFAOYSA-N 2 1 314.473 3.559 20 30 DHEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000367052324 1028127185 /nfs/dbraw/zinc/12/71/85/1028127185.db2.gz ADXMVPSQMWDILM-UHFFFAOYSA-N 2 1 311.473 3.713 20 30 DHEDMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000373812648 1029139981 /nfs/dbraw/zinc/13/99/81/1029139981.db2.gz NYGZLDUOVBTZRJ-IBGZPJMESA-N 2 1 307.441 3.695 20 30 DHEDMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000373812648 1029139987 /nfs/dbraw/zinc/13/99/87/1029139987.db2.gz NYGZLDUOVBTZRJ-IBGZPJMESA-N 2 1 307.441 3.695 20 30 DHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000163310945 1029167820 /nfs/dbraw/zinc/16/78/20/1029167820.db2.gz QQPUYCQSDJKXCV-JKSUJKDBSA-N 2 1 322.880 3.810 20 30 DHEDMP N#CC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000451067092 1029786108 /nfs/dbraw/zinc/78/61/08/1029786108.db2.gz VUFSGYPQKJXZBG-UHFFFAOYSA-N 2 1 323.484 3.668 20 30 DHEDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1[O-] ZINC000866231951 1030169417 /nfs/dbraw/zinc/16/94/17/1030169417.db2.gz AVCYQSWRRSVZOK-HOTGVXAUSA-N 2 1 315.461 3.569 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248926563 1030777609 /nfs/dbraw/zinc/77/76/09/1030777609.db2.gz XHJOHBBVMZTCHZ-YXJHDRRASA-N 2 1 308.429 3.914 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000536999159 1031486255 /nfs/dbraw/zinc/48/62/55/1031486255.db2.gz APSNVAYLUQOOAW-LJQANCHMSA-N 2 1 302.437 3.907 20 30 DHEDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C#N)cc1C(F)(F)F ZINC000872158903 1031540662 /nfs/dbraw/zinc/54/06/62/1031540662.db2.gz ZAXZXJCQWQZOBP-UHFFFAOYSA-N 2 1 313.367 3.528 20 30 DHEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198259 1031694209 /nfs/dbraw/zinc/69/42/09/1031694209.db2.gz JEBAQZHICFEDAK-XFQXTVEOSA-N 2 1 311.473 3.614 20 30 DHEDMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC(CC#N)CC1 ZINC001173336712 1033692667 /nfs/dbraw/zinc/69/26/67/1033692667.db2.gz JGORBTMUFPECPB-UHFFFAOYSA-N 2 1 308.429 3.777 20 30 DHEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000119427917 1034075493 /nfs/dbraw/zinc/07/54/93/1034075493.db2.gz NWERXXBBZKPYAR-FQEVSTJZSA-N 2 1 307.441 3.594 20 30 DHEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000119427917 1034075506 /nfs/dbraw/zinc/07/55/06/1034075506.db2.gz NWERXXBBZKPYAR-FQEVSTJZSA-N 2 1 307.441 3.594 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000482631523 1035151287 /nfs/dbraw/zinc/15/12/87/1035151287.db2.gz SCMSRBOYKLMGCK-OAQYLSRUSA-N 2 1 312.501 3.946 20 30 DHEDMP CC(C)(C#N)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000903101388 1035281386 /nfs/dbraw/zinc/28/13/86/1035281386.db2.gz GVPMCZANISAZRK-GUDVDZBRSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000539608559 1035790206 /nfs/dbraw/zinc/79/02/06/1035790206.db2.gz RFVKLECFLCDGIC-XHSDSOJGSA-N 2 1 317.452 3.716 20 30 DHEDMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000539608559 1035790229 /nfs/dbraw/zinc/79/02/29/1035790229.db2.gz RFVKLECFLCDGIC-XHSDSOJGSA-N 2 1 317.452 3.716 20 30 DHEDMP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236928 1036536312 /nfs/dbraw/zinc/53/63/12/1036536312.db2.gz VRRAOXBYALIKFR-DYESRHJHSA-N 2 1 319.452 3.558 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000152995919 1038016633 /nfs/dbraw/zinc/01/66/33/1038016633.db2.gz CYTMVZXWXJMXAV-FQEVSTJZSA-N 2 1 315.505 3.834 20 30 DHEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071870 1039027997 /nfs/dbraw/zinc/02/79/97/1039027997.db2.gz UZCDRHCYSZNURH-XLIONFOSSA-N 2 1 311.473 3.647 20 30 DHEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595095610 1040078360 /nfs/dbraw/zinc/07/83/60/1040078360.db2.gz RMVWVCBDIWFMDK-HSALFYBXSA-N 2 1 323.484 3.571 20 30 DHEDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094356 1040305471 /nfs/dbraw/zinc/30/54/71/1040305471.db2.gz LCNBEHRMFCGDPZ-AZUAARDMSA-N 2 1 311.473 3.721 20 30 DHEDMP C[C@@H](CCC#N)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000602481976 1041052167 /nfs/dbraw/zinc/05/21/67/1041052167.db2.gz DQUMUEFHDQSRQD-ROUUACIJSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000602514739 1041063616 /nfs/dbraw/zinc/06/36/16/1041063616.db2.gz LVASOTZJXDYWFR-ROUUACIJSA-N 2 1 313.489 3.948 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000602659913 1041147285 /nfs/dbraw/zinc/14/72/85/1041147285.db2.gz YQZMYLPTAXZMFN-PKOBYXMFSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000602659913 1041147295 /nfs/dbraw/zinc/14/72/95/1041147295.db2.gz YQZMYLPTAXZMFN-PKOBYXMFSA-N 2 1 313.489 3.817 20 30 DHEDMP N#CCC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000602786949 1041209073 /nfs/dbraw/zinc/20/90/73/1041209073.db2.gz MZPKWHUBPBAVGD-UXHICEINSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000602786949 1041209087 /nfs/dbraw/zinc/20/90/87/1041209087.db2.gz MZPKWHUBPBAVGD-UXHICEINSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000602786949 1041209107 /nfs/dbraw/zinc/20/91/07/1041209107.db2.gz MZPKWHUBPBAVGD-UXHICEINSA-N 2 1 323.484 3.667 20 30 DHEDMP N#CCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000602786949 1041209124 /nfs/dbraw/zinc/20/91/24/1041209124.db2.gz MZPKWHUBPBAVGD-UXHICEINSA-N 2 1 323.484 3.667 20 30 DHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C#N)c1 ZINC000340594713 132048672 /nfs/dbraw/zinc/04/86/72/132048672.db2.gz BFMXCSNNHSQUJV-UHFFFAOYSA-N 2 1 307.441 3.642 20 30 DHEDMP C=CCOc1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000414719295 334073969 /nfs/dbraw/zinc/07/39/69/334073969.db2.gz UWXYQYLTPRCKMG-MRXNPFEDSA-N 2 1 322.880 3.869 20 30 DHEDMP N#CC1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000281469799 334126435 /nfs/dbraw/zinc/12/64/35/334126435.db2.gz BLJBSSKUQQFIAQ-UHFFFAOYSA-N 2 1 311.473 3.571 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000295084837 334218078 /nfs/dbraw/zinc/21/80/78/334218078.db2.gz QTIJPFAPIXTJGP-ZVZYQTTQSA-N 2 1 308.429 3.914 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295123129 334219143 /nfs/dbraw/zinc/21/91/43/334219143.db2.gz WVOOKIFCSGEHRO-LCLWPZTBSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000295123129 334219144 /nfs/dbraw/zinc/21/91/44/334219144.db2.gz WVOOKIFCSGEHRO-LCLWPZTBSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295123168 334219151 /nfs/dbraw/zinc/21/91/51/334219151.db2.gz WWZYGWDGXBIQAZ-BWPNAZKDSA-N 2 1 311.473 3.569 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000368515357 336846479 /nfs/dbraw/zinc/84/64/79/336846479.db2.gz USVAVHKIBAKEOK-PXNSSMCTSA-N 2 1 313.489 3.738 20 30 DHEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000378014746 337065170 /nfs/dbraw/zinc/06/51/70/337065170.db2.gz YISPBUWYRDEMDE-UHFFFAOYSA-N 2 1 317.502 3.754 20 30 DHEDMP CC(C)(C#N)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000174863928 337145116 /nfs/dbraw/zinc/14/51/16/337145116.db2.gz CJFSJHOSSJYFTB-GOSISDBHSA-N 2 1 305.510 3.904 20 30 DHEDMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)[nH+]1 ZINC000181766204 337184594 /nfs/dbraw/zinc/18/45/94/337184594.db2.gz VFEZAJMSHNRDKH-INIZCTEOSA-N 2 1 320.440 3.581 20 30 DHEDMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)[nH+]1 ZINC000181766087 337184646 /nfs/dbraw/zinc/18/46/46/337184646.db2.gz MDOALOPLYFBFBM-INIZCTEOSA-N 2 1 320.440 3.581 20 30 DHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185830786 337250511 /nfs/dbraw/zinc/25/05/11/337250511.db2.gz QJPWTVRMJHCIKP-FUHIMQAGSA-N 2 1 311.473 3.884 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433030179 338177303 /nfs/dbraw/zinc/17/73/03/338177303.db2.gz VIXMSKLYXYUORE-LJQANCHMSA-N 2 1 310.445 3.997 20 30 DHEDMP C=CCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507927856 340235973 /nfs/dbraw/zinc/23/59/73/340235973.db2.gz AWNJOIQOEAVFJJ-UHFFFAOYSA-N 2 1 312.379 3.788 20 30 DHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000510957517 340316165 /nfs/dbraw/zinc/31/61/65/340316165.db2.gz GYYMAXLGFHQALH-QRVBRYPASA-N 2 1 311.473 3.569 20 30 DHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000510957517 340316166 /nfs/dbraw/zinc/31/61/66/340316166.db2.gz GYYMAXLGFHQALH-QRVBRYPASA-N 2 1 311.473 3.569 20 30 DHEDMP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1c1ccccc1 ZINC000550794945 341323046 /nfs/dbraw/zinc/32/30/46/341323046.db2.gz NHZZTJFLPLLGQN-WXDAQCLHSA-N 2 1 311.473 3.741 20 30 DHEDMP C[N@H+]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1c1ccccc1 ZINC000550794945 341323047 /nfs/dbraw/zinc/32/30/47/341323047.db2.gz NHZZTJFLPLLGQN-WXDAQCLHSA-N 2 1 311.473 3.741 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2cccc(C)c2)CC1 ZINC000152990152 341515884 /nfs/dbraw/zinc/51/58/84/341515884.db2.gz SUABDFONVWKMOW-GOSISDBHSA-N 2 1 300.490 3.946 20 30 DHEDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167964071 1013196617 /nfs/dbraw/zinc/19/66/17/1013196617.db2.gz MTFDWPATFGVRTH-LRLLJDFBSA-N 2 1 309.457 3.614 20 30 DHEDMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000151395173 1013670850 /nfs/dbraw/zinc/67/08/50/1013670850.db2.gz KNTMLNZTRIHKAR-OXJNMPFZSA-N 2 1 311.473 3.691 20 30 DHEDMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000895823749 1015318340 /nfs/dbraw/zinc/31/83/40/1015318340.db2.gz ZJVFADJMTZOGLM-UHFFFAOYSA-N 2 1 323.484 3.692 20 30 DHEDMP C[C@H]1CC([NH+]2CCC(C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039024 1015495091 /nfs/dbraw/zinc/49/50/91/1015495091.db2.gz AYSYVHMSZIMLLY-IRXDYDNUSA-N 2 1 311.473 3.664 20 30 DHEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424335509 1011985327 /nfs/dbraw/zinc/98/53/27/1011985327.db2.gz WVGODHNZMVEJDO-LHQJTOJGSA-N 2 1 311.473 3.711 20 30 DHEDMP C=CCOc1cccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000517536495 1013007109 /nfs/dbraw/zinc/00/71/09/1013007109.db2.gz OIPZRPALSPKONQ-HDICACEKSA-N 2 1 316.489 3.709 20 30 DHEDMP C=CCOc1cccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000517536495 1013007124 /nfs/dbraw/zinc/00/71/24/1013007124.db2.gz OIPZRPALSPKONQ-HDICACEKSA-N 2 1 316.489 3.709 20 30 DHEDMP CCc1cccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303908597 1017459856 /nfs/dbraw/zinc/45/98/56/1017459856.db2.gz XQMQFIFUDHWCMH-MRXNPFEDSA-N 2 1 316.493 3.630 20 30 DHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000367898934 1018091716 /nfs/dbraw/zinc/09/17/16/1018091716.db2.gz FZCNZKAXUASGCC-PKOBYXMFSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000367898934 1018091731 /nfs/dbraw/zinc/09/17/31/1018091731.db2.gz FZCNZKAXUASGCC-PKOBYXMFSA-N 2 1 313.489 3.817 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCCC#N)C2)s1 ZINC000584164988 1018994833 /nfs/dbraw/zinc/99/48/33/1018994833.db2.gz MAPKCYAUTYHECT-MRXNPFEDSA-N 2 1 305.491 3.504 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCCC#N)C2)s1 ZINC000584164988 1018994841 /nfs/dbraw/zinc/99/48/41/1018994841.db2.gz MAPKCYAUTYHECT-MRXNPFEDSA-N 2 1 305.491 3.504 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCCC#N)C2)s1 ZINC000584164988 1018994851 /nfs/dbraw/zinc/99/48/51/1018994851.db2.gz MAPKCYAUTYHECT-MRXNPFEDSA-N 2 1 305.491 3.504 20 30 DHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000130607959 1032894277 /nfs/dbraw/zinc/89/42/77/1032894277.db2.gz RPFUJNUCTCQGRM-UHFFFAOYSA-N 2 1 310.445 3.515 20 30 DHEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000130607959 1032894286 /nfs/dbraw/zinc/89/42/86/1032894286.db2.gz RPFUJNUCTCQGRM-UHFFFAOYSA-N 2 1 310.445 3.515 20 30 DHEDMP CCCCCCCCCC[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001252979095 1032963505 /nfs/dbraw/zinc/96/35/05/1032963505.db2.gz IVHJLMRPMZUMKA-LJQANCHMSA-N 2 1 312.542 3.904 20 30 DHEDMP CCCCCCCCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001252979095 1032963515 /nfs/dbraw/zinc/96/35/15/1032963515.db2.gz IVHJLMRPMZUMKA-LJQANCHMSA-N 2 1 312.542 3.904 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850433031 1021529474 /nfs/dbraw/zinc/52/94/74/1021529474.db2.gz ICILBJCUHIMIRJ-MRXNPFEDSA-N 2 1 314.473 3.703 20 30 DHEDMP C=C(C)C[NH+]1CCC(N[C@H](C)c2ccccc2OC(F)F)CC1 ZINC000152984257 1021910309 /nfs/dbraw/zinc/91/03/09/1021910309.db2.gz GHIRGBCCNQWTHN-CQSZACIVSA-N 2 1 324.415 3.979 20 30 DHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C#Cc3ccccc3)CC1)C2 ZINC001172122353 1033024710 /nfs/dbraw/zinc/02/47/10/1033024710.db2.gz AEKZGVHIDDBAJL-KOUNCHBCSA-N 2 1 322.496 3.765 20 30 DHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C#Cc3ccccc3)CC1)C2 ZINC001172122353 1033024715 /nfs/dbraw/zinc/02/47/15/1033024715.db2.gz AEKZGVHIDDBAJL-KOUNCHBCSA-N 2 1 322.496 3.765 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000695865958 1023036315 /nfs/dbraw/zinc/03/63/15/1023036315.db2.gz VYGQEWQEKJGIMD-FXAWDEMLSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000695866004 1023037162 /nfs/dbraw/zinc/03/71/62/1023037162.db2.gz WZVMXZRRXOGLQB-HKUYNNGSSA-N 2 1 313.489 3.817 20 30 DHEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001172480661 1033192802 /nfs/dbraw/zinc/19/28/02/1033192802.db2.gz WNFWSRSCVIWHDY-RSPOEFSDSA-N 2 1 311.473 3.569 20 30 DHEDMP CC[N@@H+](CCC[NH+](C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170398433 1024763138 /nfs/dbraw/zinc/76/31/38/1024763138.db2.gz PXFLXOKGOABFHH-UHFFFAOYSA-N 2 1 313.489 3.664 20 30 DHEDMP C[C@@H](CCCC#N)[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001172505354 1033235125 /nfs/dbraw/zinc/23/51/25/1033235125.db2.gz LVXFLJBNYNPYFY-INIZCTEOSA-N 2 1 317.452 3.804 20 30 DHEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1F ZINC000125480974 1025477373 /nfs/dbraw/zinc/47/73/73/1025477373.db2.gz AQPSFQSWVOIJDU-UHFFFAOYSA-N 2 1 301.409 3.799 20 30 DHEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1F ZINC000125480974 1025477380 /nfs/dbraw/zinc/47/73/80/1025477380.db2.gz AQPSFQSWVOIJDU-UHFFFAOYSA-N 2 1 301.409 3.799 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000924875887 1026069165 /nfs/dbraw/zinc/06/91/65/1026069165.db2.gz YSUADXJTUYPFJK-HOTGVXAUSA-N 2 1 319.518 3.878 20 30 DHEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000924875887 1026069182 /nfs/dbraw/zinc/06/91/82/1026069182.db2.gz YSUADXJTUYPFJK-HOTGVXAUSA-N 2 1 319.518 3.878 20 30 DHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000370003315 1028552915 /nfs/dbraw/zinc/55/29/15/1028552915.db2.gz ZUMFLMFZFHUIHJ-GOSISDBHSA-N 2 1 305.510 3.760 20 30 DHEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000119364074 1028854921 /nfs/dbraw/zinc/85/49/21/1028854921.db2.gz KDIANACULNTMEY-UHFFFAOYSA-N 2 1 313.445 3.669 20 30 DHEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000119364074 1028854932 /nfs/dbraw/zinc/85/49/32/1028854932.db2.gz KDIANACULNTMEY-UHFFFAOYSA-N 2 1 313.445 3.669 20 30 DHEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865805083 1030032567 /nfs/dbraw/zinc/03/25/67/1030032567.db2.gz QDKFFFSZOYIWSB-AVAKVYKDSA-N 2 1 303.494 3.846 20 30 DHEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865805083 1030032587 /nfs/dbraw/zinc/03/25/87/1030032587.db2.gz QDKFFFSZOYIWSB-AVAKVYKDSA-N 2 1 303.494 3.846 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)CC1CC1 ZINC000559147042 1031134969 /nfs/dbraw/zinc/13/49/69/1031134969.db2.gz RFELCKQZYOFMRQ-RBUKOAKNSA-N 2 1 303.494 3.513 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360659276 1031507994 /nfs/dbraw/zinc/50/79/94/1031507994.db2.gz XZFVGGRXGGRCPJ-FQEVSTJZSA-N 2 1 322.456 3.901 20 30 DHEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831438 1031577756 /nfs/dbraw/zinc/57/77/56/1031577756.db2.gz FIHWXTFNLAHGLT-PXNSSMCTSA-N 2 1 311.473 3.647 20 30 DHEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360831439 1031579590 /nfs/dbraw/zinc/57/95/90/1031579590.db2.gz FIHWXTFNLAHGLT-XLIONFOSSA-N 2 1 311.473 3.647 20 30 DHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000360839522 1031583515 /nfs/dbraw/zinc/58/35/15/1031583515.db2.gz IETXYSHAZOKAHF-HXUWFJFHSA-N 2 1 309.457 3.542 20 30 DHEDMP N#CC1(CCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000930060779 1031687192 /nfs/dbraw/zinc/68/71/92/1031687192.db2.gz LQJIPGVZZRCYHJ-MJGOQNOKSA-N 2 1 315.505 3.799 20 30 DHEDMP N#CC1(CCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000930060779 1031687196 /nfs/dbraw/zinc/68/71/96/1031687196.db2.gz LQJIPGVZZRCYHJ-MJGOQNOKSA-N 2 1 315.505 3.799 20 30 DHEDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220940 1031958793 /nfs/dbraw/zinc/95/87/93/1031958793.db2.gz FXEPOXAMZCYDTH-QGZVFWFLSA-N 2 1 313.489 3.541 20 30 DHEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000176981278 1034124795 /nfs/dbraw/zinc/12/47/95/1034124795.db2.gz WBCARHSCYBMZIJ-UHFFFAOYSA-N 2 1 303.475 3.506 20 30 DHEDMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000539608556 1035792255 /nfs/dbraw/zinc/79/22/55/1035792255.db2.gz RFVKLECFLCDGIC-BZUAXINKSA-N 2 1 317.452 3.716 20 30 DHEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC000125488745 1037937766 /nfs/dbraw/zinc/93/77/66/1037937766.db2.gz SVVXHUYHIWGQHP-UHFFFAOYSA-N 2 1 308.429 3.532 20 30 DHEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC000125488745 1037937781 /nfs/dbraw/zinc/93/77/81/1037937781.db2.gz SVVXHUYHIWGQHP-UHFFFAOYSA-N 2 1 308.429 3.532 20 30 DHEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071871 1039029979 /nfs/dbraw/zinc/02/99/79/1039029979.db2.gz UZCDRHCYSZNURH-YLJYHZDGSA-N 2 1 311.473 3.647 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030873 1039359903 /nfs/dbraw/zinc/35/99/03/1039359903.db2.gz PIXCPZRNKNNPON-BRWVUGGUSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030873 1039359922 /nfs/dbraw/zinc/35/99/22/1039359922.db2.gz PIXCPZRNKNNPON-BRWVUGGUSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030873 1039359935 /nfs/dbraw/zinc/35/99/35/1039359935.db2.gz PIXCPZRNKNNPON-BRWVUGGUSA-N 2 1 317.502 3.503 20 30 DHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030873 1039359972 /nfs/dbraw/zinc/35/99/72/1039359972.db2.gz PIXCPZRNKNNPON-BRWVUGGUSA-N 2 1 317.502 3.503 20 30 DHEDMP N#Cc1ccc(C2([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CCC2)cc1 ZINC000594584746 1039860764 /nfs/dbraw/zinc/86/07/64/1039860764.db2.gz IESGAVMJIPFYNN-OALUTQOASA-N 2 1 303.409 3.672 20 30 DHEDMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033341 1039964597 /nfs/dbraw/zinc/96/45/97/1039964597.db2.gz NDOCBMGLBUKOPD-UHFFFAOYSA-N 2 1 308.429 3.512 20 30 DHEDMP N#CC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595622487 1040196176 /nfs/dbraw/zinc/19/61/76/1040196176.db2.gz BJCABFMZFTXZNR-GOSISDBHSA-N 2 1 311.473 3.798 20 30 DHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1C#N ZINC000609029809 1040663461 /nfs/dbraw/zinc/66/34/61/1040663461.db2.gz FPHNUAOEKSCEPU-UHFFFAOYSA-N 2 1 307.441 3.642 20 30 DHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1C#N ZINC000609029809 1040663466 /nfs/dbraw/zinc/66/34/66/1040663466.db2.gz FPHNUAOEKSCEPU-UHFFFAOYSA-N 2 1 307.441 3.642 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000602548504 1041087759 /nfs/dbraw/zinc/08/77/59/1041087759.db2.gz YITBLYYLCSLRSQ-VOBGVNJCSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602564221 1041100608 /nfs/dbraw/zinc/10/06/08/1041100608.db2.gz RBLXYPKKMBMESS-CLPROHDKSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602564221 1041100614 /nfs/dbraw/zinc/10/06/14/1041100614.db2.gz RBLXYPKKMBMESS-CLPROHDKSA-N 2 1 311.473 3.569 20 30 DHEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000602665892 1041150471 /nfs/dbraw/zinc/15/04/71/1041150471.db2.gz DLLBEEAFDRREDA-QUCCMNQESA-N 2 1 313.489 3.818 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344174395 335227253 /nfs/dbraw/zinc/22/72/53/335227253.db2.gz QSDSYFPCHMEWEO-LJQANCHMSA-N 2 1 302.437 3.833 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000106246092 336389162 /nfs/dbraw/zinc/38/91/62/336389162.db2.gz CQYAHLYHRZQPTN-UHFFFAOYSA-N 2 1 312.379 3.836 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000106246376 336389165 /nfs/dbraw/zinc/38/91/65/336389165.db2.gz RKOFWKDAFRNMTP-UHFFFAOYSA-N 2 1 324.468 3.979 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360838539 336723874 /nfs/dbraw/zinc/72/38/74/336723874.db2.gz CWWYKKGIFTWONO-OAQYLSRUSA-N 2 1 323.484 3.956 20 30 DHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000086279070 337310276 /nfs/dbraw/zinc/31/02/76/337310276.db2.gz UEQKQMRXOJRRHB-HNNXBMFYSA-N 2 1 316.408 3.903 20 30 DHEDMP C=C(Cl)C[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121590879 337396480 /nfs/dbraw/zinc/39/64/80/337396480.db2.gz DXOJIRBDRADXEK-UHFFFAOYSA-N 2 1 322.884 3.527 20 30 DHEDMP C=C(Cl)C[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121590879 337396481 /nfs/dbraw/zinc/39/64/81/337396481.db2.gz DXOJIRBDRADXEK-UHFFFAOYSA-N 2 1 322.884 3.527 20 30 DHEDMP C=CCCCC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000449224238 338603991 /nfs/dbraw/zinc/60/39/91/338603991.db2.gz KZEWMSITVVAYKJ-GOSISDBHSA-N 2 1 308.510 3.746 20 30 DHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000482158635 339625049 /nfs/dbraw/zinc/62/50/49/339625049.db2.gz TVTORKDGFCOOBR-QFBILLFUSA-N 2 1 317.452 3.688 20 30 DHEDMP C=CCCC[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075597 340073772 /nfs/dbraw/zinc/07/37/72/340073772.db2.gz KBZFIDCKOCYZJS-KRWDZBQOSA-N 2 1 301.478 3.975 20 30 DHEDMP CCC[N@H+](CC)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507612618 340226347 /nfs/dbraw/zinc/22/63/47/340226347.db2.gz GAJRJNVLUJVDJR-UHFFFAOYSA-N 2 1 313.489 3.712 20 30 DHEDMP CCC[N@@H+](CC)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507612618 340226348 /nfs/dbraw/zinc/22/63/48/340226348.db2.gz GAJRJNVLUJVDJR-UHFFFAOYSA-N 2 1 313.489 3.712 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512013424 340345337 /nfs/dbraw/zinc/34/53/37/340345337.db2.gz ALIDXLVPLNSQQP-ARJAWSKDSA-N 2 1 306.400 3.608 20 30 DHEDMP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000931222630 1032073335 /nfs/dbraw/zinc/07/33/35/1032073335.db2.gz BMXNVLCBEJVVBY-DOIPELPJSA-N 2 1 323.484 3.523 20 30 DHEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000048712398 1013929673 /nfs/dbraw/zinc/92/96/73/1013929673.db2.gz ZCQWUEMQZAEUNB-UHFFFAOYSA-N 2 1 307.441 3.688 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC)cc2C)CC1 ZINC000657352864 1016416225 /nfs/dbraw/zinc/41/62/25/1016416225.db2.gz LSHWWUPVLQKELL-UHFFFAOYSA-N 2 1 302.462 3.524 20 30 DHEDMP C=C(C)CN1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000119127892 1032265706 /nfs/dbraw/zinc/26/57/06/1032265706.db2.gz CMFMEBUYRBTEMB-UHFFFAOYSA-N 2 1 314.473 3.530 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2SC)CC1 ZINC000183500057 1018026188 /nfs/dbraw/zinc/02/61/88/1018026188.db2.gz IQNYJCLXECIBMK-MRXNPFEDSA-N 2 1 318.530 3.970 20 30 DHEDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585558 1018429499 /nfs/dbraw/zinc/42/94/99/1018429499.db2.gz KLXFUFQYYPIZLL-QUCCMNQESA-N 2 1 313.489 3.967 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392307 1019465212 /nfs/dbraw/zinc/46/52/12/1019465212.db2.gz RGUSRCVORDACRU-FQEVSTJZSA-N 2 1 309.457 3.566 20 30 DHEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391909 1019465780 /nfs/dbraw/zinc/46/57/80/1019465780.db2.gz DWBUPCJEEWMMKV-PXNSSMCTSA-N 2 1 311.473 3.646 20 30 DHEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391910 1019465939 /nfs/dbraw/zinc/46/59/39/1019465939.db2.gz DWBUPCJEEWMMKV-XLIONFOSSA-N 2 1 311.473 3.646 20 30 DHEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391908 1019466475 /nfs/dbraw/zinc/46/64/75/1019466475.db2.gz DWBUPCJEEWMMKV-FXAWDEMLSA-N 2 1 311.473 3.646 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000657876134 1019726126 /nfs/dbraw/zinc/72/61/26/1019726126.db2.gz UQPQQCMMHXDPBH-CQSZACIVSA-N 2 1 315.486 3.987 20 30 DHEDMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1C#N ZINC000922760247 1020253112 /nfs/dbraw/zinc/25/31/12/1020253112.db2.gz QFEKSZFFYSCEEL-UHFFFAOYSA-N 2 1 311.473 3.753 20 30 DHEDMP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000924649521 1032958578 /nfs/dbraw/zinc/95/85/78/1032958578.db2.gz PKNSTGXRCOIKPK-QGZVFWFLSA-N 2 1 313.489 3.611 20 30 DHEDMP CC(C)(S)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982993 1032964062 /nfs/dbraw/zinc/96/40/62/1032964062.db2.gz LNTRUKBFMZYTQW-INIZCTEOSA-N 2 1 306.519 3.728 20 30 DHEDMP CC(C)(S)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982994 1032965076 /nfs/dbraw/zinc/96/50/76/1032965076.db2.gz LNTRUKBFMZYTQW-MRXNPFEDSA-N 2 1 306.519 3.728 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987707 1032971859 /nfs/dbraw/zinc/97/18/59/1032971859.db2.gz HUBGCDWZZAIIGK-AZUAARDMSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987707 1032971873 /nfs/dbraw/zinc/97/18/73/1032971873.db2.gz HUBGCDWZZAIIGK-AZUAARDMSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987707 1032971885 /nfs/dbraw/zinc/97/18/85/1032971885.db2.gz HUBGCDWZZAIIGK-AZUAARDMSA-N 2 1 310.485 3.775 20 30 DHEDMP C#C[C@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987707 1032971890 /nfs/dbraw/zinc/97/18/90/1032971890.db2.gz HUBGCDWZZAIIGK-AZUAARDMSA-N 2 1 310.485 3.775 20 30 DHEDMP C=CCCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093533620 1021623443 /nfs/dbraw/zinc/62/34/43/1021623443.db2.gz OZVPUXVXGVFZSV-UHFFFAOYSA-N 2 1 315.505 3.615 20 30 DHEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001172130614 1032999805 /nfs/dbraw/zinc/99/98/05/1032999805.db2.gz QPGYHNRUVRVVNK-AERCQKQUSA-N 2 1 323.484 3.753 20 30 DHEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(c3ccc(C#N)cc3)CC1)C2 ZINC001172130614 1032999810 /nfs/dbraw/zinc/99/98/10/1032999810.db2.gz QPGYHNRUVRVVNK-AERCQKQUSA-N 2 1 323.484 3.753 20 30 DHEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000619466105 1021763907 /nfs/dbraw/zinc/76/39/07/1021763907.db2.gz MXENALJIHKASHL-AFMYVXGZSA-N 2 1 309.457 3.542 20 30 DHEDMP C[NH+](CCCCC#N)[C@H]1CC[C@H]([N@@H+](C)CCCCC#N)CC1 ZINC000886393801 1025613078 /nfs/dbraw/zinc/61/30/78/1025613078.db2.gz CRBOMGXMUULXOK-IYARVYRRSA-N 2 1 304.482 3.549 20 30 DHEDMP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000886666214 1025773046 /nfs/dbraw/zinc/77/30/46/1025773046.db2.gz OTOMYPMPYBGNIH-HNNXBMFYSA-N 2 1 308.429 3.839 20 30 DHEDMP CSc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1C#N ZINC000886687983 1025787096 /nfs/dbraw/zinc/78/70/96/1025787096.db2.gz IPUOWKOYPPGUCG-UHFFFAOYSA-N 2 1 317.502 3.633 20 30 DHEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168670 1025792831 /nfs/dbraw/zinc/79/28/31/1025792831.db2.gz ORVQBCYPIIOOSP-LJQANCHMSA-N 2 1 313.489 3.794 20 30 DHEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168670 1025792842 /nfs/dbraw/zinc/79/28/42/1025792842.db2.gz ORVQBCYPIIOOSP-LJQANCHMSA-N 2 1 313.489 3.794 20 30 DHEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168670 1025792855 /nfs/dbraw/zinc/79/28/55/1025792855.db2.gz ORVQBCYPIIOOSP-LJQANCHMSA-N 2 1 313.489 3.794 20 30 DHEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168670 1025792868 /nfs/dbraw/zinc/79/28/68/1025792868.db2.gz ORVQBCYPIIOOSP-LJQANCHMSA-N 2 1 313.489 3.794 20 30 DHEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000809607274 1026561935 /nfs/dbraw/zinc/56/19/35/1026561935.db2.gz VBVATEYDWBZIHN-UHFFFAOYSA-N 2 1 318.464 3.731 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000809625012 1026575678 /nfs/dbraw/zinc/57/56/78/1026575678.db2.gz UASJNZDRNOPUJT-AVRDEDQJSA-N 2 1 318.464 3.811 20 30 DHEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000809625012 1026575685 /nfs/dbraw/zinc/57/56/85/1026575685.db2.gz UASJNZDRNOPUJT-AVRDEDQJSA-N 2 1 318.464 3.811 20 30 DHEDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)CC(C)C ZINC000562763709 1027595402 /nfs/dbraw/zinc/59/54/02/1027595402.db2.gz OKPSUXQIIMXROQ-OALUTQOASA-N 2 1 305.510 3.759 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC000933548108 1027758299 /nfs/dbraw/zinc/75/82/99/1027758299.db2.gz QZILXXBLUXNGMU-QUCCMNQESA-N 2 1 323.484 3.766 20 30 DHEDMP C=CCCCCC[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369643458 1028511956 /nfs/dbraw/zinc/51/19/56/1028511956.db2.gz ZRZSOXLZBGTSDV-OALUTQOASA-N 2 1 301.478 3.753 20 30 DHEDMP CC(C)c1nccn1[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000371380040 1028698518 /nfs/dbraw/zinc/69/85/18/1028698518.db2.gz QCWWPYPBUUOPIM-MRXNPFEDSA-N 2 1 302.466 3.973 20 30 DHEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCC(C)(C)C#N)C1 ZINC000372678885 1028881865 /nfs/dbraw/zinc/88/18/65/1028881865.db2.gz FHEVKKPBOPBYIW-MSOLQXFVSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000372678885 1028881874 /nfs/dbraw/zinc/88/18/74/1028881874.db2.gz FHEVKKPBOPBYIW-MSOLQXFVSA-N 2 1 305.510 3.903 20 30 DHEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000372678885 1028881887 /nfs/dbraw/zinc/88/18/87/1028881887.db2.gz FHEVKKPBOPBYIW-MSOLQXFVSA-N 2 1 305.510 3.903 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567852107 1028963061 /nfs/dbraw/zinc/96/30/61/1028963061.db2.gz PTQSBANTZJOVHI-SFHVURJKSA-N 2 1 316.514 3.692 20 30 DHEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567852107 1028963076 /nfs/dbraw/zinc/96/30/76/1028963076.db2.gz PTQSBANTZJOVHI-SFHVURJKSA-N 2 1 316.514 3.692 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000822526300 1030046166 /nfs/dbraw/zinc/04/61/66/1030046166.db2.gz SEABQIDFRRGJPB-MRXNPFEDSA-N 2 1 307.441 3.813 20 30 DHEDMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571721 1030540410 /nfs/dbraw/zinc/54/04/10/1030540410.db2.gz PKAUJLAAIVHWIW-HUUCEWRRSA-N 2 1 303.425 3.612 20 30 DHEDMP N#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404367 1030742336 /nfs/dbraw/zinc/74/23/36/1030742336.db2.gz QCXCIBGJEMDRGT-VAMGGRTRSA-N 2 1 311.473 3.571 20 30 DHEDMP C=CCSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248756034 1030766961 /nfs/dbraw/zinc/76/69/61/1030766961.db2.gz CRJVZNBXBSTZNM-LDLYASANSA-N 2 1 316.514 3.691 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000248918156 1030779526 /nfs/dbraw/zinc/77/95/26/1030779526.db2.gz WITMSFHWGMOWOB-VBSBHUPXSA-N 2 1 311.473 3.711 20 30 DHEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000248918156 1030779540 /nfs/dbraw/zinc/77/95/40/1030779540.db2.gz WITMSFHWGMOWOB-VBSBHUPXSA-N 2 1 311.473 3.711 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273557704 1031287322 /nfs/dbraw/zinc/28/73/22/1031287322.db2.gz HFKCOVDYHPDMNI-MRXNPFEDSA-N 2 1 302.462 3.700 20 30 DHEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872139996 1031533592 /nfs/dbraw/zinc/53/35/92/1031533592.db2.gz VAVCAWGFYCUIAS-MMKMLUHNSA-N 2 1 310.485 3.679 20 30 DHEDMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171192887 1031636103 /nfs/dbraw/zinc/63/61/03/1031636103.db2.gz QLFMBKHHXQVRJH-ROUUACIJSA-N 2 1 321.468 3.586 20 30 DHEDMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000151380715 1033444009 /nfs/dbraw/zinc/44/40/09/1033444009.db2.gz YUOPBRBVZKCIFM-OXJNMPFZSA-N 2 1 311.473 3.691 20 30 DHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479617656 1033840446 /nfs/dbraw/zinc/84/04/46/1033840446.db2.gz VTTXDEXSJZUJQM-SFHVURJKSA-N 2 1 304.865 3.957 20 30 DHEDMP C=CCOc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001177338469 1035364771 /nfs/dbraw/zinc/36/47/71/1035364771.db2.gz XGDUAZQFXLVRRH-UHFFFAOYSA-N 2 1 302.462 3.604 20 30 DHEDMP C=CCOc1ccccc1CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000539818364 1035872061 /nfs/dbraw/zinc/87/20/61/1035872061.db2.gz XHBDHSMJUYBTPD-FUHWJXTLSA-N 2 1 302.462 3.556 20 30 DHEDMP N#CC1(CCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000929689199 1036354003 /nfs/dbraw/zinc/35/40/03/1036354003.db2.gz WTAGVVRFTVPDEP-GOSISDBHSA-N 2 1 303.494 3.801 20 30 DHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC#N)CC1 ZINC000541919519 1036460836 /nfs/dbraw/zinc/46/08/36/1036460836.db2.gz NBTCXSAXYIEXHT-UHFFFAOYSA-N 2 1 313.489 3.770 20 30 DHEDMP CCCCCCC[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001201762366 1037884070 /nfs/dbraw/zinc/88/40/70/1037884070.db2.gz HPQKOALOLCATLB-LJQANCHMSA-N 2 1 310.526 3.780 20 30 DHEDMP CCCCCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201762366 1037884077 /nfs/dbraw/zinc/88/40/77/1037884077.db2.gz HPQKOALOLCATLB-LJQANCHMSA-N 2 1 310.526 3.780 20 30 DHEDMP CCCCCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001201762366 1037884087 /nfs/dbraw/zinc/88/40/87/1037884087.db2.gz HPQKOALOLCATLB-LJQANCHMSA-N 2 1 310.526 3.780 20 30 DHEDMP CCCCCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001201762366 1037884095 /nfs/dbraw/zinc/88/40/95/1037884095.db2.gz HPQKOALOLCATLB-LJQANCHMSA-N 2 1 310.526 3.780 20 30 DHEDMP CCCCCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001201762366 1037884102 /nfs/dbraw/zinc/88/41/02/1037884102.db2.gz HPQKOALOLCATLB-LJQANCHMSA-N 2 1 310.526 3.780 20 30 DHEDMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071869 1039028367 /nfs/dbraw/zinc/02/83/67/1039028367.db2.gz UZCDRHCYSZNURH-PXNSSMCTSA-N 2 1 311.473 3.647 20 30 DHEDMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594495699 1039797135 /nfs/dbraw/zinc/79/71/35/1039797135.db2.gz SPHAYSGDGPGRPQ-UHFFFAOYSA-N 2 1 313.489 3.698 20 30 DHEDMP C=CCCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000595058652 1040023004 /nfs/dbraw/zinc/02/30/04/1040023004.db2.gz IHJJZKGGDYZQRK-HKUYNNGSSA-N 2 1 318.530 3.796 20 30 DHEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094811 1040307175 /nfs/dbraw/zinc/30/71/75/1040307175.db2.gz MKTGHHSEIMJKLS-RXVVDRJESA-N 2 1 323.484 3.647 20 30 DHEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012026 1040624286 /nfs/dbraw/zinc/62/42/86/1040624286.db2.gz KNUKPDLCEHCTMI-VQIMIIECSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012026 1040624295 /nfs/dbraw/zinc/62/42/95/1040624295.db2.gz KNUKPDLCEHCTMI-VQIMIIECSA-N 2 1 311.473 3.546 20 30 DHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012026 1040624307 /nfs/dbraw/zinc/62/43/07/1040624307.db2.gz KNUKPDLCEHCTMI-VQIMIIECSA-N 2 1 311.473 3.546 20 30 DHEDMP C[C@H](CCC#N)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000602458487 1041043646 /nfs/dbraw/zinc/04/36/46/1041043646.db2.gz MNXVSOIUHLATIK-GOSISDBHSA-N 2 1 313.489 3.770 20 30 DHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000602551235 1041103434 /nfs/dbraw/zinc/10/34/34/1041103434.db2.gz OLRZVHYRVUAAHW-VLWBHCEFSA-N 2 1 317.502 3.803 20 30 DHEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000602551235 1041103442 /nfs/dbraw/zinc/10/34/42/1041103442.db2.gz OLRZVHYRVUAAHW-VLWBHCEFSA-N 2 1 317.502 3.803 20 30 DHEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285559286 131181128 /nfs/dbraw/zinc/18/11/28/131181128.db2.gz HDIOKGGAEXIZFI-MRXNPFEDSA-N 2 1 311.429 3.666 20 30 DHEDMP CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289471756 131389333 /nfs/dbraw/zinc/38/93/33/131389333.db2.gz POKFVHZTINGZOY-UHFFFAOYSA-N 2 1 313.470 3.703 20 30 DHEDMP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000295115460 335132276 /nfs/dbraw/zinc/13/22/76/335132276.db2.gz WSNFSJFIMZUCLP-MQVJKMGUSA-N 2 1 320.864 3.620 20 30 DHEDMP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000295115460 335132278 /nfs/dbraw/zinc/13/22/78/335132278.db2.gz WSNFSJFIMZUCLP-MQVJKMGUSA-N 2 1 320.864 3.620 20 30 DHEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000292829357 334192962 /nfs/dbraw/zinc/19/29/62/334192962.db2.gz OPUDVVJJCZNXSH-ANULTFPQSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000292829357 334192964 /nfs/dbraw/zinc/19/29/64/334192964.db2.gz OPUDVVJJCZNXSH-ANULTFPQSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000292829357 334192965 /nfs/dbraw/zinc/19/29/65/334192965.db2.gz OPUDVVJJCZNXSH-ANULTFPQSA-N 2 1 323.484 3.665 20 30 DHEDMP N#C[C@H]1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000293598006 334199619 /nfs/dbraw/zinc/19/96/19/334199619.db2.gz OSZNQFMPRHGTHA-VQTJNVASSA-N 2 1 323.484 3.667 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563956992 336388396 /nfs/dbraw/zinc/38/83/96/336388396.db2.gz BXGICPNWMIDHMR-SFHVURJKSA-N 2 1 311.473 3.713 20 30 DHEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563956992 336388397 /nfs/dbraw/zinc/38/83/97/336388397.db2.gz BXGICPNWMIDHMR-SFHVURJKSA-N 2 1 311.473 3.713 20 30 DHEDMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000174013728 337140619 /nfs/dbraw/zinc/14/06/19/337140619.db2.gz XPSNWTNWPRWXDM-MRXNPFEDSA-N 2 1 311.473 3.863 20 30 DHEDMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1cccc(C#N)c1 ZINC000181626300 337183373 /nfs/dbraw/zinc/18/33/73/337183373.db2.gz YWQUNFYXERBRCG-MRXNPFEDSA-N 2 1 311.473 3.863 20 30 DHEDMP C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000120175129 337395524 /nfs/dbraw/zinc/39/55/24/337395524.db2.gz TTYWVTJPYSXOLS-MJGOQNOKSA-N 2 1 313.489 3.817 20 30 DHEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439437665 338369385 /nfs/dbraw/zinc/36/93/85/338369385.db2.gz IFZNGYJOLVYHLR-CJNGLKHVSA-N 2 1 305.853 3.516 20 30 DHEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665888 340371947 /nfs/dbraw/zinc/37/19/47/340371947.db2.gz HVGBSKHZVHWWRK-WBVHZDCISA-N 2 1 317.452 3.716 20 30 DHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665888 340371948 /nfs/dbraw/zinc/37/19/48/340371948.db2.gz HVGBSKHZVHWWRK-WBVHZDCISA-N 2 1 317.452 3.716 20 30 DHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000181696821 520256609 /nfs/dbraw/zinc/25/66/09/520256609.db2.gz OPRZKJZQQTTXDN-MRXNPFEDSA-N 2 1 307.441 3.861 20 30 DHEDMP