smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685667 1021441387 /nfs/dbraw/zinc/44/13/87/1021441387.db2.gz NQPRWMMIBSUJFS-INIZCTEOSA-N 2 1 339.508 4.141 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000180182706 1022138897 /nfs/dbraw/zinc/13/88/97/1022138897.db2.gz BHMAKDSCGXGKJY-INIZCTEOSA-N 2 1 331.529 4.096 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911076 1023414598 /nfs/dbraw/zinc/41/45/98/1023414598.db2.gz FDAGEZYTDIAHIR-KGVIQGDOSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911076 1023414600 /nfs/dbraw/zinc/41/46/00/1023414600.db2.gz FDAGEZYTDIAHIR-KGVIQGDOSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500115977 1023514780 /nfs/dbraw/zinc/51/47/80/1023514780.db2.gz WLUMMFXCQZCKMF-KPQWGBOZSA-N 2 1 339.527 4.245 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCC)CC2)cc1Cl ZINC000510467759 1023764161 /nfs/dbraw/zinc/76/41/61/1023764161.db2.gz RMWUTISJRQWGKY-UHFFFAOYSA-N 2 1 336.907 4.211 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CCC)CC2)cc1Cl ZINC000510467759 1023764168 /nfs/dbraw/zinc/76/41/68/1023764168.db2.gz RMWUTISJRQWGKY-UHFFFAOYSA-N 2 1 336.907 4.211 20 30 EIEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C1 ZINC000651714100 1024248905 /nfs/dbraw/zinc/24/89/05/1024248905.db2.gz PNEIBZITPZDLLU-SJLPKXTDSA-N 2 1 347.572 4.252 20 30 EIEDMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220901 1026343910 /nfs/dbraw/zinc/34/39/10/1026343910.db2.gz LEEULMLEQGTQEH-FYYLOGMGSA-N 2 1 347.506 4.164 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1F ZINC000512313368 1026682956 /nfs/dbraw/zinc/68/29/56/1026682956.db2.gz IPYIMLBUPBYWHI-ZOBUZTSGSA-N 2 1 329.463 4.001 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1F ZINC000512313368 1026682963 /nfs/dbraw/zinc/68/29/63/1026682963.db2.gz IPYIMLBUPBYWHI-ZOBUZTSGSA-N 2 1 329.463 4.001 20 30 EIEDMP C[C@@H]1CC([N@@H+]2CCC[C@H](CC#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058789 1029376643 /nfs/dbraw/zinc/37/66/43/1029376643.db2.gz CFNZOZZOPUYCDT-QWFCFKBJSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1CC([N@H+]2CCC[C@H](CC#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058789 1029376653 /nfs/dbraw/zinc/37/66/53/1029376653.db2.gz CFNZOZZOPUYCDT-QWFCFKBJSA-N 2 1 325.500 4.054 20 30 EIEDMP C=CC[C@H]1[N@@H+](Cc2nc3c(s2)CN(C(C)C)CC3)CCCC1(C)C ZINC000446828503 1029593334 /nfs/dbraw/zinc/59/33/34/1029593334.db2.gz VJKATQHHAMVIFN-GOSISDBHSA-N 2 1 347.572 4.476 20 30 EIEDMP C=CC[C@H]1[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCC1(C)C ZINC000446828503 1029593344 /nfs/dbraw/zinc/59/33/44/1029593344.db2.gz VJKATQHHAMVIFN-GOSISDBHSA-N 2 1 347.572 4.476 20 30 EIEDMP C=CC[C@H]1[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCC1(C)C ZINC000446828503 1029593348 /nfs/dbraw/zinc/59/33/48/1029593348.db2.gz VJKATQHHAMVIFN-GOSISDBHSA-N 2 1 347.572 4.476 20 30 EIEDMP C=CC[C@H]1[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CCCC1(C)C ZINC000446828503 1029593356 /nfs/dbraw/zinc/59/33/56/1029593356.db2.gz VJKATQHHAMVIFN-GOSISDBHSA-N 2 1 347.572 4.476 20 30 EIEDMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750079 1029806729 /nfs/dbraw/zinc/80/67/29/1029806729.db2.gz NTXDIIMMLJTUSV-BSIFCXSSSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000449073715 1031429800 /nfs/dbraw/zinc/42/98/00/1031429800.db2.gz NSJSLHVQQWPWIB-RBUKOAKNSA-N 2 1 347.506 4.304 20 30 EIEDMP Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000151149668 1034822461 /nfs/dbraw/zinc/82/24/61/1034822461.db2.gz QFCYRGOZBXKOFJ-CQSZACIVSA-N 2 1 334.398 4.042 20 30 EIEDMP C[C@@H]1C[C@H](CC[NH2+]CC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000513507767 1034991651 /nfs/dbraw/zinc/99/16/51/1034991651.db2.gz VSYGEFXIXNZHKE-QUCCMNQESA-N 2 1 327.516 4.207 20 30 EIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336705 1036739585 /nfs/dbraw/zinc/73/95/85/1036739585.db2.gz FKVNNNXAWZCWQG-JOCHJYFZSA-N 2 1 333.479 4.176 20 30 EIEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550818666 1039373678 /nfs/dbraw/zinc/37/36/78/1039373678.db2.gz PNTUEPLNCYNSKY-IRLDBZIGSA-N 2 1 336.479 4.177 20 30 EIEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550818666 1039373695 /nfs/dbraw/zinc/37/36/95/1039373695.db2.gz PNTUEPLNCYNSKY-IRLDBZIGSA-N 2 1 336.479 4.177 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1)CC1CC1 ZINC000540047065 1041051322 /nfs/dbraw/zinc/05/13/22/1041051322.db2.gz NBJVUOUUOPFEEH-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000463299412 1041483467 /nfs/dbraw/zinc/48/34/67/1041483467.db2.gz FGHDTQJMLKEXBI-OSZJIOELSA-N 2 1 339.527 4.336 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000271930939 1042520405 /nfs/dbraw/zinc/52/04/05/1042520405.db2.gz IEJYXGAZQQCMGO-HNNXBMFYSA-N 2 1 329.463 4.145 20 30 EIEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543206845 1044133093 /nfs/dbraw/zinc/13/30/93/1044133093.db2.gz DGLLTXWFZQXVIR-CVDCTZTESA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000543206845 1044133119 /nfs/dbraw/zinc/13/31/19/1044133119.db2.gz DGLLTXWFZQXVIR-CVDCTZTESA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000543206845 1044133143 /nfs/dbraw/zinc/13/31/43/1044133143.db2.gz DGLLTXWFZQXVIR-CVDCTZTESA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000543206845 1044133156 /nfs/dbraw/zinc/13/31/56/1044133156.db2.gz DGLLTXWFZQXVIR-CVDCTZTESA-N 2 1 347.506 4.238 20 30 EIEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000173949491 1044196760 /nfs/dbraw/zinc/19/67/60/1044196760.db2.gz ZHHXMNVIMQPPBG-GOSISDBHSA-N 2 1 333.479 4.182 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246277303 1044289092 /nfs/dbraw/zinc/28/90/92/1044289092.db2.gz BXFICCDEXYYJSG-UYAOXDASSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246277303 1044289104 /nfs/dbraw/zinc/28/91/04/1044289104.db2.gz BXFICCDEXYYJSG-UYAOXDASSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491809 1044649060 /nfs/dbraw/zinc/64/90/60/1044649060.db2.gz GGJKIGHCFKLYLT-SPEDKVCISA-N 2 1 333.479 4.119 20 30 EIEDMP C=CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000766018915 1045201090 /nfs/dbraw/zinc/20/10/90/1045201090.db2.gz JRFOMBQIYAUZKB-BWAGFHJFSA-N 2 1 335.495 4.342 20 30 EIEDMP C=CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000766018915 1045201097 /nfs/dbraw/zinc/20/10/97/1045201097.db2.gz JRFOMBQIYAUZKB-BWAGFHJFSA-N 2 1 335.495 4.342 20 30 EIEDMP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)ccc1C#N ZINC000767693802 1045598407 /nfs/dbraw/zinc/59/84/07/1045598407.db2.gz OTKYGZFXIYGXMF-UHFFFAOYSA-N 2 1 325.500 4.001 20 30 EIEDMP CCCC[N@H+](CC)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170360257 1046013440 /nfs/dbraw/zinc/01/34/40/1046013440.db2.gz UWAVRMVNZFSCFF-UHFFFAOYSA-N 2 1 327.516 4.102 20 30 EIEDMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170360257 1046013455 /nfs/dbraw/zinc/01/34/55/1046013455.db2.gz UWAVRMVNZFSCFF-UHFFFAOYSA-N 2 1 327.516 4.102 20 30 EIEDMP CCC[N@@H+](CCC[NH+](C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397889 1046031827 /nfs/dbraw/zinc/03/18/27/1046031827.db2.gz HXBLPKZXBXBLLS-UHFFFAOYSA-N 2 1 327.516 4.054 20 30 EIEDMP Cc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000488133850 1046103537 /nfs/dbraw/zinc/10/35/37/1046103537.db2.gz MELLPFJRESYGCH-UHFFFAOYSA-N 2 1 348.494 4.000 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000809606335 1048413847 /nfs/dbraw/zinc/41/38/47/1048413847.db2.gz ZEMGRYHDWWYLRH-IBGZPJMESA-N 2 1 332.491 4.332 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000809606338 1048414056 /nfs/dbraw/zinc/41/40/56/1048414056.db2.gz ZEMGRYHDWWYLRH-LJQANCHMSA-N 2 1 332.491 4.332 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809605772 1048414128 /nfs/dbraw/zinc/41/41/28/1048414128.db2.gz IIMGKHYHOMQSEH-IBGZPJMESA-N 2 1 332.491 4.332 20 30 EIEDMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000846182649 1048835612 /nfs/dbraw/zinc/83/56/12/1048835612.db2.gz NWSCJJOITGCDOS-SFHVURJKSA-N 2 1 343.515 4.284 20 30 EIEDMP C#CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115693 1049586072 /nfs/dbraw/zinc/58/60/72/1049586072.db2.gz OENTVBMBRDTOCX-PTUXOGIPSA-N 2 1 332.491 4.394 20 30 EIEDMP C#CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115693 1049586086 /nfs/dbraw/zinc/58/60/86/1049586086.db2.gz OENTVBMBRDTOCX-PTUXOGIPSA-N 2 1 332.491 4.394 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172294201 1049881982 /nfs/dbraw/zinc/88/19/82/1049881982.db2.gz GOFRHEKETQXTQY-DNVFCKCGSA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172294201 1049881985 /nfs/dbraw/zinc/88/19/85/1049881985.db2.gz GOFRHEKETQXTQY-DNVFCKCGSA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173332427 1050422877 /nfs/dbraw/zinc/42/28/77/1050422877.db2.gz NEYPSCLBHOLFTF-KCUKBOBISA-N 2 1 339.527 4.207 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000153014232 1050931791 /nfs/dbraw/zinc/93/17/91/1050931791.db2.gz ADVOLMLLWLIVAM-CQSZACIVSA-N 2 1 326.406 4.397 20 30 EIEDMP C#CC[C@H]1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068930 1051904052 /nfs/dbraw/zinc/90/40/52/1051904052.db2.gz FLBQJGQXMCMCPF-URXFXBBRSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CC[C@H]1CC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068930 1051904063 /nfs/dbraw/zinc/90/40/63/1051904063.db2.gz FLBQJGQXMCMCPF-URXFXBBRSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CC[C@H]1CC[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068930 1051904078 /nfs/dbraw/zinc/90/40/78/1051904078.db2.gz FLBQJGQXMCMCPF-URXFXBBRSA-N 2 1 346.518 4.247 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921528701 1053699689 /nfs/dbraw/zinc/69/96/89/1053699689.db2.gz HQBJFPHBIATCOC-MRXNPFEDSA-N 2 1 339.508 4.284 20 30 EIEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921535796 1053728097 /nfs/dbraw/zinc/72/80/97/1053728097.db2.gz MARGOUXGGMNAQA-MRXNPFEDSA-N 2 1 339.508 4.284 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921535796 1053728111 /nfs/dbraw/zinc/72/81/11/1053728111.db2.gz MARGOUXGGMNAQA-MRXNPFEDSA-N 2 1 339.508 4.284 20 30 EIEDMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)CC1 ZINC001196942982 1053810753 /nfs/dbraw/zinc/81/07/53/1053810753.db2.gz JGNYAPRRDCJHHY-HXUWFJFHSA-N 2 1 331.548 4.437 20 30 EIEDMP CCCCCCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140121 1054079089 /nfs/dbraw/zinc/07/90/89/1054079089.db2.gz BBZVKIANPMBQRG-UHFFFAOYSA-N 2 1 332.532 4.181 20 30 EIEDMP CCCCCCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140121 1054079098 /nfs/dbraw/zinc/07/90/98/1054079098.db2.gz BBZVKIANPMBQRG-UHFFFAOYSA-N 2 1 332.532 4.181 20 30 EIEDMP CCCCCCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140121 1054079109 /nfs/dbraw/zinc/07/91/09/1054079109.db2.gz BBZVKIANPMBQRG-UHFFFAOYSA-N 2 1 332.532 4.181 20 30 EIEDMP CCCCCCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140121 1054079117 /nfs/dbraw/zinc/07/91/17/1054079117.db2.gz BBZVKIANPMBQRG-UHFFFAOYSA-N 2 1 332.532 4.181 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940033 1054985634 /nfs/dbraw/zinc/98/56/34/1054985634.db2.gz OOISSKXFDAXLSJ-IRLDBZIGSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940033 1054985646 /nfs/dbraw/zinc/98/56/46/1054985646.db2.gz OOISSKXFDAXLSJ-IRLDBZIGSA-N 2 1 331.463 4.016 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877008853 1055000298 /nfs/dbraw/zinc/00/02/98/1055000298.db2.gz ASRUERXNSLWNAF-UHFFFAOYSA-N 2 1 335.904 4.080 20 30 EIEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412098 1056106742 /nfs/dbraw/zinc/10/67/42/1056106742.db2.gz USAMYIRUSQPIEN-YVHKJVDXSA-N 2 1 333.479 4.044 20 30 EIEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412334 1056107271 /nfs/dbraw/zinc/10/72/71/1056107271.db2.gz PJXBQWZJSGYKAT-VGSWGCGISA-N 2 1 333.479 4.045 20 30 EIEDMP C=CCOc1cccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000744269512 1059361661 /nfs/dbraw/zinc/36/16/61/1059361661.db2.gz AGGQNAQWKPAOSA-UHFFFAOYSA-N 2 1 342.527 4.386 20 30 EIEDMP C=CCCCCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001209442123 1020352630 /nfs/dbraw/zinc/35/26/30/1020352630.db2.gz UEBQXVHTRRHWJQ-YADHBBJMSA-N 2 1 348.575 4.193 20 30 EIEDMP C=CCCCCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001209442123 1020352646 /nfs/dbraw/zinc/35/26/46/1020352646.db2.gz UEBQXVHTRRHWJQ-YADHBBJMSA-N 2 1 348.575 4.193 20 30 EIEDMP C=CCCCCCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001209442123 1020352656 /nfs/dbraw/zinc/35/26/56/1020352656.db2.gz UEBQXVHTRRHWJQ-YADHBBJMSA-N 2 1 348.575 4.193 20 30 EIEDMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC000417370802 1023292143 /nfs/dbraw/zinc/29/21/43/1023292143.db2.gz SURKASIDDKPWLV-ACIOBRDBSA-N 2 1 345.490 4.361 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC000417370802 1023292147 /nfs/dbraw/zinc/29/21/47/1023292147.db2.gz SURKASIDDKPWLV-ACIOBRDBSA-N 2 1 345.490 4.361 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507044 1024782186 /nfs/dbraw/zinc/78/21/86/1024782186.db2.gz YDMMYTAQBZUBCI-QKYXUNIQSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507044 1024782209 /nfs/dbraw/zinc/78/22/09/1024782209.db2.gz YDMMYTAQBZUBCI-QKYXUNIQSA-N 2 1 339.508 4.353 20 30 EIEDMP CCCCCCCCN(CC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971582 1026089288 /nfs/dbraw/zinc/08/92/88/1026089288.db2.gz ZIYFGNFNFNIMLW-WCRBZPEASA-N 2 1 335.580 4.013 20 30 EIEDMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220902 1026343475 /nfs/dbraw/zinc/34/34/75/1026343475.db2.gz LEEULMLEQGTQEH-GGAORHGYSA-N 2 1 347.506 4.164 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000343755071 1029753985 /nfs/dbraw/zinc/75/39/85/1029753985.db2.gz MFDNNVQJEWVHNI-MRXNPFEDSA-N 2 1 330.435 4.098 20 30 EIEDMP C[C@@H]1C[C@H](CC[NH2+]C2CCC(C)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000449212741 1031541598 /nfs/dbraw/zinc/54/15/98/1031541598.db2.gz IYXPQGWFUFNMLH-UREXAPBRSA-N 2 1 339.527 4.349 20 30 EIEDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323083 1035822904 /nfs/dbraw/zinc/82/29/04/1035822904.db2.gz RPSOHXWHKCXCFN-GMAHTHKFSA-N 2 1 345.490 4.141 20 30 EIEDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323083 1035822907 /nfs/dbraw/zinc/82/29/07/1035822907.db2.gz RPSOHXWHKCXCFN-GMAHTHKFSA-N 2 1 345.490 4.141 20 30 EIEDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323083 1035822913 /nfs/dbraw/zinc/82/29/13/1035822913.db2.gz RPSOHXWHKCXCFN-GMAHTHKFSA-N 2 1 345.490 4.141 20 30 EIEDMP C[C@@H](CCC#N)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596592266 1035909447 /nfs/dbraw/zinc/90/94/47/1035909447.db2.gz LVELMNHANVKZRE-GHTZIAJQSA-N 2 1 339.527 4.301 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508025 1036482849 /nfs/dbraw/zinc/48/28/49/1036482849.db2.gz KWQYTAAKHLJOBL-IFMALSPDSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508025 1036482865 /nfs/dbraw/zinc/48/28/65/1036482865.db2.gz KWQYTAAKHLJOBL-IFMALSPDSA-N 2 1 331.463 4.016 20 30 EIEDMP CC[N@H+](Cc1ccc(C)c(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000599303541 1036946731 /nfs/dbraw/zinc/94/67/31/1036946731.db2.gz RCRWSEYKKOMARD-UHFFFAOYSA-N 2 1 348.494 4.000 20 30 EIEDMP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000594522223 1038363425 /nfs/dbraw/zinc/36/34/25/1038363425.db2.gz KAXUWVWFRZCXCL-NRFANRHFSA-N 2 1 347.506 4.099 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000442692101 1039880461 /nfs/dbraw/zinc/88/04/61/1039880461.db2.gz MXXKDAWUQOQFHJ-UYAOXDASSA-N 2 1 325.500 4.207 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000442692101 1039880468 /nfs/dbraw/zinc/88/04/68/1039880468.db2.gz MXXKDAWUQOQFHJ-UYAOXDASSA-N 2 1 325.500 4.207 20 30 EIEDMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399548 1040197183 /nfs/dbraw/zinc/19/71/83/1040197183.db2.gz WIMNMJTWEILWNT-QPXQOZNCSA-N 2 1 347.506 4.365 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000482637606 1040410625 /nfs/dbraw/zinc/41/06/25/1040410625.db2.gz BUCZZFXQGUDCKW-SFHVURJKSA-N 2 1 335.495 4.440 20 30 EIEDMP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551560307 1040411121 /nfs/dbraw/zinc/41/11/21/1040411121.db2.gz RMQXTCDVSJCXCW-GHTZIAJQSA-N 2 1 345.490 4.048 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173398457 1042569397 /nfs/dbraw/zinc/56/93/97/1042569397.db2.gz IAQHZEGWVDGNHH-AWEZNQCLSA-N 2 1 337.305 4.140 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173398519 1042569938 /nfs/dbraw/zinc/56/99/38/1042569938.db2.gz KDAFCXKWIDMQQO-AWEZNQCLSA-N 2 1 326.406 4.397 20 30 EIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964533 1042590125 /nfs/dbraw/zinc/59/01/25/1042590125.db2.gz RZZPDWZHVUDLHS-MRXNPFEDSA-N 2 1 339.458 4.388 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014934 1043934918 /nfs/dbraw/zinc/93/49/18/1043934918.db2.gz NSWAWDDLTRDJCU-JNCXCOKGSA-N 2 1 325.500 4.100 20 30 EIEDMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543397589 1044512982 /nfs/dbraw/zinc/51/29/82/1044512982.db2.gz WBIBCKCJDCZYOU-KRWDZBQOSA-N 2 1 345.450 4.031 20 30 EIEDMP Cc1ccc(C(=[NH2+])NC2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC001168032900 1044858154 /nfs/dbraw/zinc/85/81/54/1044858154.db2.gz JAVICRLZIGPAMF-QIDMFYOTSA-N 2 1 349.522 4.450 20 30 EIEDMP N#CC1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000282438729 1045241804 /nfs/dbraw/zinc/24/18/04/1045241804.db2.gz UIGVJSXXDQESJD-DWIFJIFGSA-N 2 1 337.511 4.102 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000488160303 1046168454 /nfs/dbraw/zinc/16/84/54/1046168454.db2.gz SATPGCYPVLSQKK-MRXNPFEDSA-N 2 1 330.435 4.212 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1)CC1CC1 ZINC000536736471 1046745575 /nfs/dbraw/zinc/74/55/75/1046745575.db2.gz NPUPCWCPSDHCTH-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000154330101 1046821114 /nfs/dbraw/zinc/82/11/14/1046821114.db2.gz YVUUJOHROUJZFL-WWMYMODYSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001171182464 1048673613 /nfs/dbraw/zinc/67/36/13/1048673613.db2.gz VKCYDHILIPHQIP-PWHSHALESA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001171182464 1048673623 /nfs/dbraw/zinc/67/36/23/1048673623.db2.gz VKCYDHILIPHQIP-PWHSHALESA-N 2 1 347.506 4.132 20 30 EIEDMP CC1(C)C[C@H]([NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[N@@H+]1Cc1ccccc1 ZINC001171989150 1049832530 /nfs/dbraw/zinc/83/25/30/1049832530.db2.gz YTVLDBAZAQGIMU-MXEMCNAFSA-N 2 1 337.511 4.196 20 30 EIEDMP CC1(C)C[C@H]([NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[N@H+]1Cc1ccccc1 ZINC001171989150 1049832533 /nfs/dbraw/zinc/83/25/33/1049832533.db2.gz YTVLDBAZAQGIMU-MXEMCNAFSA-N 2 1 337.511 4.196 20 30 EIEDMP CC1(C)C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH+]1Cc1ccccc1 ZINC001171989150 1049832535 /nfs/dbraw/zinc/83/25/35/1049832535.db2.gz YTVLDBAZAQGIMU-MXEMCNAFSA-N 2 1 337.511 4.196 20 30 EIEDMP CC1(C)C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH+]1Cc1ccccc1 ZINC001171989150 1049832536 /nfs/dbraw/zinc/83/25/36/1049832536.db2.gz YTVLDBAZAQGIMU-MXEMCNAFSA-N 2 1 337.511 4.196 20 30 EIEDMP CC1(C)C[C@H]([NH+]2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985974 1049840582 /nfs/dbraw/zinc/84/05/82/1049840582.db2.gz DUDFEKMNWMTQMO-LJQANCHMSA-N 2 1 325.500 4.055 20 30 EIEDMP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987152 1049840915 /nfs/dbraw/zinc/84/09/15/1049840915.db2.gz PTOWCRROITUNQD-QFIPXVFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987152 1049840917 /nfs/dbraw/zinc/84/09/17/1049840917.db2.gz PTOWCRROITUNQD-QFIPXVFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987152 1049840919 /nfs/dbraw/zinc/84/09/19/1049840919.db2.gz PTOWCRROITUNQD-QFIPXVFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987152 1049840929 /nfs/dbraw/zinc/84/09/29/1049840929.db2.gz PTOWCRROITUNQD-QFIPXVFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001172068229 1049853501 /nfs/dbraw/zinc/85/35/01/1049853501.db2.gz JAWSSJTZQXILLN-KOUNCHBCSA-N 2 1 336.523 4.498 20 30 EIEDMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369375 1049897321 /nfs/dbraw/zinc/89/73/21/1049897321.db2.gz QNGNNMJUICONHF-QFOSDGOKSA-N 2 1 339.527 4.455 20 30 EIEDMP CC[C@@H](CC(C)C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172403010 1049898833 /nfs/dbraw/zinc/89/88/33/1049898833.db2.gz YEZWDQDDYROGMT-ACRUOGEOSA-N 2 1 327.516 4.455 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001172506846 1049926160 /nfs/dbraw/zinc/92/61/60/1049926160.db2.gz KNXSXXVDWYTRBD-HNNXBMFYSA-N 2 1 342.874 4.093 20 30 EIEDMP N#CCC1CCC([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332109 1050423052 /nfs/dbraw/zinc/42/30/52/1050423052.db2.gz ILPXXBUJVMULEO-NYZKWMLCSA-N 2 1 325.500 4.231 20 30 EIEDMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCC(C)(C#N)CC1 ZINC001173598368 1050499469 /nfs/dbraw/zinc/49/94/69/1050499469.db2.gz PVRLGTRWADRIAU-UHFFFAOYSA-N 2 1 339.527 4.303 20 30 EIEDMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600895 1050502853 /nfs/dbraw/zinc/50/28/53/1050502853.db2.gz LYFLZXSVAVXLMI-UHFFFAOYSA-N 2 1 343.490 4.194 20 30 EIEDMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600895 1050502866 /nfs/dbraw/zinc/50/28/66/1050502866.db2.gz LYFLZXSVAVXLMI-UHFFFAOYSA-N 2 1 343.490 4.194 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001191549299 1051486710 /nfs/dbraw/zinc/48/67/10/1051486710.db2.gz ASHHRRDPJBMUES-IBGZPJMESA-N 2 1 339.527 4.077 20 30 EIEDMP CC(C)(C#N)CCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000386042718 1053572280 /nfs/dbraw/zinc/57/22/80/1053572280.db2.gz ZZDBJQRFTYVLPH-RTWAWAEBSA-N 2 1 339.527 4.160 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000386042718 1053572293 /nfs/dbraw/zinc/57/22/93/1053572293.db2.gz ZZDBJQRFTYVLPH-RTWAWAEBSA-N 2 1 339.527 4.160 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000386042718 1053572305 /nfs/dbraw/zinc/57/23/05/1053572305.db2.gz ZZDBJQRFTYVLPH-RTWAWAEBSA-N 2 1 339.527 4.160 20 30 EIEDMP C[C@]1(C#N)CC[NH+](CCCCCCCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852687132 1053602323 /nfs/dbraw/zinc/60/23/23/1053602323.db2.gz PWBBOMWIRBZYRQ-NHCUHLMSSA-N 2 1 344.547 4.188 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143457 1054422396 /nfs/dbraw/zinc/42/23/96/1054422396.db2.gz KNZGRWFTSDDRMU-KRWDZBQOSA-N 2 1 339.508 4.249 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCC)c(OCC)c2)CC1 ZINC000106246356 1054938708 /nfs/dbraw/zinc/93/87/08/1054938708.db2.gz ZHXQEKFNYGOACJ-UHFFFAOYSA-N 2 1 346.515 4.004 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000186316724 1055351861 /nfs/dbraw/zinc/35/18/61/1055351861.db2.gz OQYWAUMYRIKNPA-UHFFFAOYSA-N 2 1 348.494 4.000 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000123067758 1055837982 /nfs/dbraw/zinc/83/79/82/1055837982.db2.gz GVCGNYFXPPXUNK-UTKZUKDTSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000123067758 1055837983 /nfs/dbraw/zinc/83/79/83/1055837983.db2.gz GVCGNYFXPPXUNK-UTKZUKDTSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[NH+]1C ZINC000123067758 1055837984 /nfs/dbraw/zinc/83/79/84/1055837984.db2.gz GVCGNYFXPPXUNK-UTKZUKDTSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[NH+]1C ZINC000123067758 1055837993 /nfs/dbraw/zinc/83/79/93/1055837993.db2.gz GVCGNYFXPPXUNK-UTKZUKDTSA-N 2 1 333.479 4.140 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474704352 1055993232 /nfs/dbraw/zinc/99/32/32/1055993232.db2.gz AEWUPWSGYFMIBL-FHERZECASA-N 2 1 332.454 4.374 20 30 EIEDMP C=CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000459386655 1032808031 /nfs/dbraw/zinc/80/80/31/1032808031.db2.gz LRRAXJPJPNXELD-QGZVFWFLSA-N 2 1 337.389 4.279 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177685391 1021442764 /nfs/dbraw/zinc/44/27/64/1021442764.db2.gz IAYKDBICOQCFAU-INIZCTEOSA-N 2 1 339.508 4.284 20 30 EIEDMP C=CCC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccco1 ZINC000367614932 1022667465 /nfs/dbraw/zinc/66/74/65/1022667465.db2.gz JGIKQCRIGAXTNQ-SFHVURJKSA-N 2 1 325.456 4.249 20 30 EIEDMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H]1c1ccccc1 ZINC000417370805 1023292281 /nfs/dbraw/zinc/29/22/81/1023292281.db2.gz SURKASIDDKPWLV-PMVMPFDFSA-N 2 1 345.490 4.361 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H]1c1ccccc1 ZINC000417370805 1023292288 /nfs/dbraw/zinc/29/22/88/1023292288.db2.gz SURKASIDDKPWLV-PMVMPFDFSA-N 2 1 345.490 4.361 20 30 EIEDMP CC(C)[NH+](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000500031048 1023459032 /nfs/dbraw/zinc/45/90/32/1023459032.db2.gz RKEUZILIGGKWTD-UHFFFAOYSA-N 2 1 327.516 4.099 20 30 EIEDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281765 1023800331 /nfs/dbraw/zinc/80/03/31/1023800331.db2.gz FVGFICUZCWZRQR-BOSCWZPRSA-N 2 1 345.490 4.404 20 30 EIEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289492029 1024335376 /nfs/dbraw/zinc/33/53/76/1024335376.db2.gz GIEMPYUFYFDREP-FQEVSTJZSA-N 2 1 327.516 4.208 20 30 EIEDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745623 1027222137 /nfs/dbraw/zinc/22/21/37/1027222137.db2.gz RRWSUBDIQYAGIS-VGOFRKELSA-N 2 1 333.479 4.360 20 30 EIEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428364216 1027709283 /nfs/dbraw/zinc/70/92/83/1027709283.db2.gz PCEVIHYKDNGEFP-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428364216 1027709309 /nfs/dbraw/zinc/70/93/09/1027709309.db2.gz PCEVIHYKDNGEFP-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@@H]1CC([N@H+](C)Cc2ccc(C#N)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053327 1029158568 /nfs/dbraw/zinc/15/85/68/1029158568.db2.gz NSVGKQCQMCINNC-RTBURBONSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1CC([N@@H+](C)Cc2ccc(C#N)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053327 1029158575 /nfs/dbraw/zinc/15/85/75/1029158575.db2.gz NSVGKQCQMCINNC-RTBURBONSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951782 1029594728 /nfs/dbraw/zinc/59/47/28/1029594728.db2.gz YUXGFTHOEAKLJP-ICSRJNTNSA-N 2 1 327.516 4.207 20 30 EIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951782 1029594739 /nfs/dbraw/zinc/59/47/39/1029594739.db2.gz YUXGFTHOEAKLJP-ICSRJNTNSA-N 2 1 327.516 4.207 20 30 EIEDMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000513493850 1034986977 /nfs/dbraw/zinc/98/69/77/1034986977.db2.gz CTZFNFWVWBRLER-WMZOPIPTSA-N 2 1 339.508 4.010 20 30 EIEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000513511359 1034989845 /nfs/dbraw/zinc/98/98/45/1034989845.db2.gz IUDVKIAOEOCRGQ-AEFFLSMTSA-N 2 1 339.508 4.010 20 30 EIEDMP C[C@H]1C[C@@H](CC[NH2+]CC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000513507764 1034992118 /nfs/dbraw/zinc/99/21/18/1034992118.db2.gz VSYGEFXIXNZHKE-AZUAARDMSA-N 2 1 327.516 4.207 20 30 EIEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000589336977 1036739312 /nfs/dbraw/zinc/73/93/12/1036739312.db2.gz PIBPUFATLGATBO-OFNKIYASSA-N 2 1 345.490 4.047 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646853 1037130142 /nfs/dbraw/zinc/13/01/42/1037130142.db2.gz LWZIPIJRBLLTMB-RBUKOAKNSA-N 2 1 347.506 4.304 20 30 EIEDMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000590646851 1037131526 /nfs/dbraw/zinc/13/15/26/1037131526.db2.gz LWZIPIJRBLLTMB-MOPGFXCFSA-N 2 1 347.506 4.304 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249390472 1037793460 /nfs/dbraw/zinc/79/34/60/1037793460.db2.gz RIXDLCPGFLEXPG-GHTZIAJQSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249390472 1037793466 /nfs/dbraw/zinc/79/34/66/1037793466.db2.gz RIXDLCPGFLEXPG-GHTZIAJQSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249390472 1037793481 /nfs/dbraw/zinc/79/34/81/1037793481.db2.gz RIXDLCPGFLEXPG-GHTZIAJQSA-N 2 1 333.479 4.073 20 30 EIEDMP N#Cc1ccc(C2([NH2+]C3CC[NH+](C4CCCCC4)CC3)CCC2)cc1 ZINC000594514645 1038358701 /nfs/dbraw/zinc/35/87/01/1038358701.db2.gz KPFGBWVTTMNGKG-UHFFFAOYSA-N 2 1 337.511 4.324 20 30 EIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594917040 1038426925 /nfs/dbraw/zinc/42/69/25/1038426925.db2.gz FYOWOPZKJQVYQX-UHFFFAOYSA-N 2 1 347.506 4.372 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000442692086 1039880594 /nfs/dbraw/zinc/88/05/94/1039880594.db2.gz MXXKDAWUQOQFHJ-AZUAARDMSA-N 2 1 325.500 4.207 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000442692086 1039880595 /nfs/dbraw/zinc/88/05/95/1039880595.db2.gz MXXKDAWUQOQFHJ-AZUAARDMSA-N 2 1 325.500 4.207 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000482619970 1040387463 /nfs/dbraw/zinc/38/74/63/1040387463.db2.gz NPCRRKXAEPHYHI-FQEVSTJZSA-N 2 1 328.500 4.147 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000463285024 1041475944 /nfs/dbraw/zinc/47/59/44/1041475944.db2.gz SKKVPNVUPRWQKG-MOXWOTFGSA-N 2 1 339.527 4.336 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000463299411 1041483194 /nfs/dbraw/zinc/48/31/94/1041483194.db2.gz FGHDTQJMLKEXBI-GMQQQROESA-N 2 1 339.527 4.336 20 30 EIEDMP CCCC[C@H](CC)C[N@@H+]1CCO[C@@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001280183630 1041775066 /nfs/dbraw/zinc/77/50/66/1041775066.db2.gz ADTBZSDUBKGULW-LEWJYISDSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@H](CC)C[N@H+]1CCO[C@@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001280183630 1041775070 /nfs/dbraw/zinc/77/50/70/1041775070.db2.gz ADTBZSDUBKGULW-LEWJYISDSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@H](CC)C[NH+]1CCO[C@@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001280183630 1041775073 /nfs/dbraw/zinc/77/50/73/1041775073.db2.gz ADTBZSDUBKGULW-LEWJYISDSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@H](CC)C[NH+]1CCO[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001280183630 1041775077 /nfs/dbraw/zinc/77/50/77/1041775077.db2.gz ADTBZSDUBKGULW-LEWJYISDSA-N 2 1 349.563 4.063 20 30 EIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000541348044 1041898737 /nfs/dbraw/zinc/89/87/37/1041898737.db2.gz JFGLBHNQWKERJT-UHFFFAOYSA-N 2 1 347.506 4.097 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000506381073 1042370334 /nfs/dbraw/zinc/37/03/34/1042370334.db2.gz NNIPHKVXXGKHFS-UHFFFAOYSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000506381073 1042370340 /nfs/dbraw/zinc/37/03/40/1042370340.db2.gz NNIPHKVXXGKHFS-UHFFFAOYSA-N 2 1 336.907 4.209 20 30 EIEDMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002745 1042741372 /nfs/dbraw/zinc/74/13/72/1042741372.db2.gz PZRKRFXCJMPHKQ-XMSQKQJNSA-N 2 1 333.479 4.009 20 30 EIEDMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002745 1042741382 /nfs/dbraw/zinc/74/13/82/1042741382.db2.gz PZRKRFXCJMPHKQ-XMSQKQJNSA-N 2 1 333.479 4.009 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000543206499 1044131259 /nfs/dbraw/zinc/13/12/59/1044131259.db2.gz USXAISVYJRFTGP-IBGZPJMESA-N 2 1 339.527 4.229 20 30 EIEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000173949474 1044199147 /nfs/dbraw/zinc/19/91/47/1044199147.db2.gz ZHHXMNVIMQPPBG-SFHVURJKSA-N 2 1 333.479 4.182 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168021539 1044437516 /nfs/dbraw/zinc/43/75/16/1044437516.db2.gz PWLILTROYJQQIJ-ALXJQNPVSA-N 2 1 339.508 4.151 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021539 1044437524 /nfs/dbraw/zinc/43/75/24/1044437524.db2.gz PWLILTROYJQQIJ-ALXJQNPVSA-N 2 1 339.508 4.151 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267931 1045023570 /nfs/dbraw/zinc/02/35/70/1045023570.db2.gz MTWKRXBAROPBBY-INIZCTEOSA-N 2 1 342.446 4.392 20 30 EIEDMP CC[N@@H+](CCC1CCN(Cc2ccc(F)cc2C#N)CC1)CC1CC1 ZINC000536736359 1046746189 /nfs/dbraw/zinc/74/61/89/1046746189.db2.gz KAGPBNQGTSNSFS-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP CC[N@H+](CCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1)CC1CC1 ZINC000536736359 1046746202 /nfs/dbraw/zinc/74/62/02/1046746202.db2.gz KAGPBNQGTSNSFS-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1)CC1CC1 ZINC000536736359 1046746217 /nfs/dbraw/zinc/74/62/17/1046746217.db2.gz KAGPBNQGTSNSFS-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000536999171 1046891115 /nfs/dbraw/zinc/89/11/15/1046891115.db2.gz AZQPJWAIDUMPIF-GOSISDBHSA-N 2 1 349.316 4.067 20 30 EIEDMP N#Cc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000537092774 1046938660 /nfs/dbraw/zinc/93/86/60/1046938660.db2.gz IVIIOXBNTIEJOH-UHFFFAOYSA-N 2 1 345.490 4.189 20 30 EIEDMP CC1(C)[C@@H]2C[C@@H]([N@@H+](Cc3cccc(C#N)c3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170736448 1047922101 /nfs/dbraw/zinc/92/21/01/1047922101.db2.gz MOHLPNRUTJQJTF-RSMWHSHJSA-N 2 1 337.511 4.065 20 30 EIEDMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141156 1048341887 /nfs/dbraw/zinc/34/18/87/1048341887.db2.gz ZHNGJIZRQIZRED-QMZRJTEUSA-N 2 1 345.490 4.404 20 30 EIEDMP C[C@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000810238663 1048722281 /nfs/dbraw/zinc/72/22/81/1048722281.db2.gz RYTLXPPTPRJXNB-DHIUTWEWSA-N 2 1 345.490 4.047 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171197849 1048730935 /nfs/dbraw/zinc/73/09/35/1048730935.db2.gz DJHINIDQOVGVIO-NSISKUIASA-N 2 1 327.516 4.107 20 30 EIEDMP CC[N@H+](CCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 ZINC000846021884 1048788734 /nfs/dbraw/zinc/78/87/34/1048788734.db2.gz DBTFFKHMWQCEPL-GOSISDBHSA-N 2 1 343.515 4.112 20 30 EIEDMP CC[N@@H+](CCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 ZINC000846021884 1048788757 /nfs/dbraw/zinc/78/87/57/1048788757.db2.gz DBTFFKHMWQCEPL-GOSISDBHSA-N 2 1 343.515 4.112 20 30 EIEDMP CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC001171974694 1049835590 /nfs/dbraw/zinc/83/55/90/1049835590.db2.gz AEQVPNKYPUNPLV-SFHVURJKSA-N 2 1 339.508 4.153 20 30 EIEDMP CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC001171974694 1049835592 /nfs/dbraw/zinc/83/55/92/1049835592.db2.gz AEQVPNKYPUNPLV-SFHVURJKSA-N 2 1 339.508 4.153 20 30 EIEDMP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984374 1049840495 /nfs/dbraw/zinc/84/04/95/1049840495.db2.gz KUEOPINDDUVQOD-JOCHJYFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984374 1049840497 /nfs/dbraw/zinc/84/04/97/1049840497.db2.gz KUEOPINDDUVQOD-JOCHJYFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984374 1049840501 /nfs/dbraw/zinc/84/05/01/1049840501.db2.gz KUEOPINDDUVQOD-JOCHJYFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984374 1049840503 /nfs/dbraw/zinc/84/05/03/1049840503.db2.gz KUEOPINDDUVQOD-JOCHJYFZSA-N 2 1 347.506 4.433 20 30 EIEDMP N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065769 1049850747 /nfs/dbraw/zinc/85/07/47/1049850747.db2.gz QMSNOHOZIBLCJL-PRMSZOBUSA-N 2 1 337.511 4.244 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172064886 1049851309 /nfs/dbraw/zinc/85/13/09/1049851309.db2.gz IARXKJOPRGOCHP-NUNAXRQHSA-N 2 1 345.490 4.234 20 30 EIEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001172494398 1049921523 /nfs/dbraw/zinc/92/15/23/1049921523.db2.gz GPDAYEZDDAKJIA-LCLWPZTBSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001172494398 1049921528 /nfs/dbraw/zinc/92/15/28/1049921528.db2.gz GPDAYEZDDAKJIA-LCLWPZTBSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001172494398 1049921530 /nfs/dbraw/zinc/92/15/30/1049921530.db2.gz GPDAYEZDDAKJIA-LCLWPZTBSA-N 2 1 345.556 4.363 20 30 EIEDMP C=C(C)C[NH+]1CCC(NCc2cnc(-c3ccsc3)s2)CC1 ZINC000084659924 1050014274 /nfs/dbraw/zinc/01/42/74/1050014274.db2.gz USUTTXMGOATRQD-UHFFFAOYSA-N 2 1 333.526 4.002 20 30 EIEDMP C=CCOC1CCC([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317137 1050439111 /nfs/dbraw/zinc/43/91/11/1050439111.db2.gz BNLAEBQDFNVDRU-SNXBXODESA-N 2 1 334.548 4.405 20 30 EIEDMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600579 1050502406 /nfs/dbraw/zinc/50/24/06/1050502406.db2.gz FMFIUISTVFEVGX-UHFFFAOYSA-N 2 1 343.490 4.194 20 30 EIEDMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600579 1050502425 /nfs/dbraw/zinc/50/24/25/1050502425.db2.gz FMFIUISTVFEVGX-UHFFFAOYSA-N 2 1 343.490 4.194 20 30 EIEDMP C#CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523526 1051701233 /nfs/dbraw/zinc/70/12/33/1051701233.db2.gz JQOAHLDIQRPWRA-PTUXOGIPSA-N 2 1 332.491 4.251 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC001203269807 1051918630 /nfs/dbraw/zinc/91/86/30/1051918630.db2.gz DMGCYVQLJUNLTA-GOSISDBHSA-N 2 1 348.918 4.116 20 30 EIEDMP C=C(C)COc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1OC ZINC000622266309 1052168634 /nfs/dbraw/zinc/16/86/34/1052168634.db2.gz JHISUTLWNXRXDS-GOSISDBHSA-N 2 1 346.515 4.004 20 30 EIEDMP C=C(C)COc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1OC ZINC000622266309 1052168649 /nfs/dbraw/zinc/16/86/49/1052168649.db2.gz JHISUTLWNXRXDS-GOSISDBHSA-N 2 1 346.515 4.004 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196936785 1053808441 /nfs/dbraw/zinc/80/84/41/1053808441.db2.gz URFIWZIAIZBTQV-NQIIRXRSSA-N 2 1 325.500 4.206 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000876940034 1054985902 /nfs/dbraw/zinc/98/59/02/1054985902.db2.gz OOISSKXFDAXLSJ-RBBKRZOGSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000876940034 1054985912 /nfs/dbraw/zinc/98/59/12/1054985912.db2.gz OOISSKXFDAXLSJ-RBBKRZOGSA-N 2 1 331.463 4.016 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)CC1 ZINC000106245271 1055670094 /nfs/dbraw/zinc/67/00/94/1055670094.db2.gz OVMZMJXCARGOCO-QGZVFWFLSA-N 2 1 346.515 4.003 20 30 EIEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000123067957 1055836489 /nfs/dbraw/zinc/83/64/89/1055836489.db2.gz GVCGNYFXPPXUNK-UWJYYQICSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000123067957 1055836494 /nfs/dbraw/zinc/83/64/94/1055836494.db2.gz GVCGNYFXPPXUNK-UWJYYQICSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[NH+]1C ZINC000123067957 1055836500 /nfs/dbraw/zinc/83/65/00/1055836500.db2.gz GVCGNYFXPPXUNK-UWJYYQICSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[NH+]1C ZINC000123067957 1055836506 /nfs/dbraw/zinc/83/65/06/1055836506.db2.gz GVCGNYFXPPXUNK-UWJYYQICSA-N 2 1 333.479 4.140 20 30 EIEDMP CC(C)(C#N)CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475734545 1032543073 /nfs/dbraw/zinc/54/30/73/1032543073.db2.gz YBGRUGBEPIVIOU-QFIPXVFZSA-N 2 1 339.527 4.304 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475734545 1032543077 /nfs/dbraw/zinc/54/30/77/1032543077.db2.gz YBGRUGBEPIVIOU-QFIPXVFZSA-N 2 1 339.527 4.304 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475734545 1032543082 /nfs/dbraw/zinc/54/30/82/1032543082.db2.gz YBGRUGBEPIVIOU-QFIPXVFZSA-N 2 1 339.527 4.304 20 30 EIEDMP C[C@H](NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444917 1022822940 /nfs/dbraw/zinc/82/29/40/1022822940.db2.gz YVRNDROJHKWWTN-XYJFISCASA-N 2 1 339.508 4.181 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444917 1022822951 /nfs/dbraw/zinc/82/29/51/1022822951.db2.gz YVRNDROJHKWWTN-XYJFISCASA-N 2 1 339.508 4.181 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000610829827 1025052706 /nfs/dbraw/zinc/05/27/06/1025052706.db2.gz NPLSZQASYSVBED-LLGFUMIMSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512245168 1026572028 /nfs/dbraw/zinc/57/20/28/1026572028.db2.gz QAGZEZASGDWXTN-AUSIDOKSSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512245168 1026572038 /nfs/dbraw/zinc/57/20/38/1026572038.db2.gz QAGZEZASGDWXTN-AUSIDOKSSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512245168 1026572044 /nfs/dbraw/zinc/57/20/44/1026572044.db2.gz QAGZEZASGDWXTN-AUSIDOKSSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512245168 1026572060 /nfs/dbraw/zinc/57/20/60/1026572060.db2.gz QAGZEZASGDWXTN-AUSIDOKSSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630334 1026858781 /nfs/dbraw/zinc/85/87/81/1026858781.db2.gz PAWYSKYDHZMDAA-ONZKCSKKSA-N 2 1 339.527 4.101 20 30 EIEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630334 1026858784 /nfs/dbraw/zinc/85/87/84/1026858784.db2.gz PAWYSKYDHZMDAA-ONZKCSKKSA-N 2 1 339.527 4.101 20 30 EIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167627024 1027499286 /nfs/dbraw/zinc/49/92/86/1027499286.db2.gz ZGNUCLGSCASCAI-HXUWFJFHSA-N 2 1 341.543 4.494 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCCC)c(OC)c2)CC1 ZINC000106246336 1027696828 /nfs/dbraw/zinc/69/68/28/1027696828.db2.gz WKSSUBJZZSAKMD-UHFFFAOYSA-N 2 1 346.515 4.004 20 30 EIEDMP C[C@@H]1CC([N@@H+]2CCC[C@@H](C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063948 1029622415 /nfs/dbraw/zinc/62/24/15/1029622415.db2.gz OPYIDOYNYBYBID-GUDVDZBRSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1CC([N@H+]2CCC[C@@H](C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063948 1029622419 /nfs/dbraw/zinc/62/24/19/1029622419.db2.gz OPYIDOYNYBYBID-GUDVDZBRSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584439179 1029871330 /nfs/dbraw/zinc/87/13/30/1029871330.db2.gz JBGAUNLFMYEDGS-YSZBQJHXSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584439179 1029871331 /nfs/dbraw/zinc/87/13/31/1029871331.db2.gz JBGAUNLFMYEDGS-YSZBQJHXSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584439179 1029871336 /nfs/dbraw/zinc/87/13/36/1029871336.db2.gz JBGAUNLFMYEDGS-YSZBQJHXSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584439177 1029871448 /nfs/dbraw/zinc/87/14/48/1029871448.db2.gz JBGAUNLFMYEDGS-SXSPYAJSSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584439177 1029871451 /nfs/dbraw/zinc/87/14/51/1029871451.db2.gz JBGAUNLFMYEDGS-SXSPYAJSSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584439177 1029871454 /nfs/dbraw/zinc/87/14/54/1029871454.db2.gz JBGAUNLFMYEDGS-SXSPYAJSSA-N 2 1 345.490 4.073 20 30 EIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399174105 1030747665 /nfs/dbraw/zinc/74/76/65/1030747665.db2.gz JHBWOLXCLNEDGO-QFIPXVFZSA-N 2 1 347.506 4.143 20 30 EIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399174105 1030747690 /nfs/dbraw/zinc/74/76/90/1030747690.db2.gz JHBWOLXCLNEDGO-QFIPXVFZSA-N 2 1 347.506 4.143 20 30 EIEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000449106641 1031446395 /nfs/dbraw/zinc/44/63/95/1031446395.db2.gz MZENKDLTXDSMMM-MUYFXNHWSA-N 2 1 331.529 4.022 20 30 EIEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000449106641 1031446407 /nfs/dbraw/zinc/44/64/07/1031446407.db2.gz MZENKDLTXDSMMM-MUYFXNHWSA-N 2 1 331.529 4.022 20 30 EIEDMP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000449106640 1031447406 /nfs/dbraw/zinc/44/74/06/1031447406.db2.gz MZENKDLTXDSMMM-LRYGQEGESA-N 2 1 331.529 4.022 20 30 EIEDMP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000449106640 1031447414 /nfs/dbraw/zinc/44/74/14/1031447414.db2.gz MZENKDLTXDSMMM-LRYGQEGESA-N 2 1 331.529 4.022 20 30 EIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449306449 1031611971 /nfs/dbraw/zinc/61/19/71/1031611971.db2.gz LLIIDDGUDLTAED-SNCIUUNGSA-N 2 1 339.527 4.349 20 30 EIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449306449 1031611976 /nfs/dbraw/zinc/61/19/76/1031611976.db2.gz LLIIDDGUDLTAED-SNCIUUNGSA-N 2 1 339.527 4.349 20 30 EIEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602706538 1036583696 /nfs/dbraw/zinc/58/36/96/1036583696.db2.gz PYNBAQLWJLFQFJ-GGAORHGYSA-N 2 1 345.490 4.058 20 30 EIEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602706538 1036583730 /nfs/dbraw/zinc/58/37/30/1036583730.db2.gz PYNBAQLWJLFQFJ-GGAORHGYSA-N 2 1 345.490 4.058 20 30 EIEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000589637006 1036856078 /nfs/dbraw/zinc/85/60/78/1036856078.db2.gz XOPDCAHICOWXJL-INIZCTEOSA-N 2 1 336.907 4.259 20 30 EIEDMP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000589637006 1036856081 /nfs/dbraw/zinc/85/60/81/1036856081.db2.gz XOPDCAHICOWXJL-INIZCTEOSA-N 2 1 336.907 4.259 20 30 EIEDMP C=C(C)[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423051475 1037939008 /nfs/dbraw/zinc/93/90/08/1037939008.db2.gz NLWDOECAGIAEGD-BFUOFWGJSA-N 2 1 331.410 4.095 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000539099050 1038836792 /nfs/dbraw/zinc/83/67/92/1038836792.db2.gz ORBKMZFEEQILOQ-UHFFFAOYSA-N 2 1 327.516 4.138 20 30 EIEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540148858 1041177018 /nfs/dbraw/zinc/17/70/18/1041177018.db2.gz HFYMGXQXYLHERK-QGZVFWFLSA-N 2 1 326.406 4.397 20 30 EIEDMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1C#N ZINC000443996977 1042744398 /nfs/dbraw/zinc/74/43/98/1042744398.db2.gz PTENJQWDGVXKQD-SFHVURJKSA-N 2 1 333.479 4.182 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185779738 1043220797 /nfs/dbraw/zinc/22/07/97/1043220797.db2.gz PPRCWTFKJJPZNS-LVCYWYKZSA-N 2 1 325.500 4.233 20 30 EIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000174104113 1044219696 /nfs/dbraw/zinc/21/96/96/1044219696.db2.gz GTLPRCMKKQVHHK-ZWKOTPCHSA-N 2 1 333.479 4.434 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158239 1044228870 /nfs/dbraw/zinc/22/88/70/1044228870.db2.gz YDMMYTAQBZUBCI-QSFXBCCZSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158239 1044228878 /nfs/dbraw/zinc/22/88/78/1044228878.db2.gz YDMMYTAQBZUBCI-QSFXBCCZSA-N 2 1 339.508 4.353 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154333212 1044772653 /nfs/dbraw/zinc/77/26/53/1044772653.db2.gz FONCZTOZRDXCHJ-JKSUJKDBSA-N 2 1 330.435 4.464 20 30 EIEDMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526251 1045321520 /nfs/dbraw/zinc/32/15/20/1045321520.db2.gz FVGFICUZCWZRQR-KEIZBESESA-N 2 1 345.490 4.404 20 30 EIEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001170376554 1046033038 /nfs/dbraw/zinc/03/30/38/1046033038.db2.gz OXALOAAZQVKVKL-KPQWGBOZSA-N 2 1 339.527 4.232 20 30 EIEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001170376553 1046033688 /nfs/dbraw/zinc/03/36/88/1046033688.db2.gz OXALOAAZQVKVKL-JSRJAPPDSA-N 2 1 339.527 4.232 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000536738194 1046748451 /nfs/dbraw/zinc/74/84/51/1046748451.db2.gz KYBHRHOOERDELC-GOSISDBHSA-N 2 1 339.527 4.453 20 30 EIEDMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000846182647 1048835155 /nfs/dbraw/zinc/83/51/55/1048835155.db2.gz NWSCJJOITGCDOS-GOSISDBHSA-N 2 1 343.515 4.284 20 30 EIEDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171961849 1049825446 /nfs/dbraw/zinc/82/54/46/1049825446.db2.gz BGERVDYTDHHJLG-NRFANRHFSA-N 2 1 333.479 4.091 20 30 EIEDMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171972319 1049835079 /nfs/dbraw/zinc/83/50/79/1049835079.db2.gz PZBRXSCGTBUYJT-YZGWKJHDSA-N 2 1 325.500 4.102 20 30 EIEDMP N#CC[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075024 1049843928 /nfs/dbraw/zinc/84/39/28/1049843928.db2.gz NLPUCYDBKZPCRR-CZYKHXBRSA-N 2 1 337.511 4.198 20 30 EIEDMP N#CC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075024 1049843932 /nfs/dbraw/zinc/84/39/32/1049843932.db2.gz NLPUCYDBKZPCRR-CZYKHXBRSA-N 2 1 337.511 4.198 20 30 EIEDMP N#CC[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075024 1049843933 /nfs/dbraw/zinc/84/39/33/1049843933.db2.gz NLPUCYDBKZPCRR-CZYKHXBRSA-N 2 1 337.511 4.198 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300124 1049882671 /nfs/dbraw/zinc/88/26/71/1049882671.db2.gz RDBSMIXBBIWCAE-NSISKUIASA-N 2 1 327.516 4.107 20 30 EIEDMP CC1(C#N)CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001173586826 1050492901 /nfs/dbraw/zinc/49/29/01/1050492901.db2.gz IJNJXDJOLYSFDF-PLZZICSBSA-N 2 1 337.511 4.244 20 30 EIEDMP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183187820 1051014799 /nfs/dbraw/zinc/01/47/99/1051014799.db2.gz RMTCEUJVTYWXGE-CMKODMSKSA-N 2 1 340.511 4.002 20 30 EIEDMP N#CC1(CCCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC001190825767 1051285490 /nfs/dbraw/zinc/28/54/90/1051285490.db2.gz BEWOCXFUTFNRSY-HXUWFJFHSA-N 2 1 331.548 4.439 20 30 EIEDMP C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277603862 1051796818 /nfs/dbraw/zinc/79/68/18/1051796818.db2.gz FHYKJCJEMGAXAJ-HXUWFJFHSA-N 2 1 327.516 4.160 20 30 EIEDMP C[NH+](CCCCC(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277603862 1051796835 /nfs/dbraw/zinc/79/68/35/1051796835.db2.gz FHYKJCJEMGAXAJ-HXUWFJFHSA-N 2 1 327.516 4.160 20 30 EIEDMP C[NH+](CCCCC(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277603862 1051796853 /nfs/dbraw/zinc/79/68/53/1051796853.db2.gz FHYKJCJEMGAXAJ-HXUWFJFHSA-N 2 1 327.516 4.160 20 30 EIEDMP CCCCCCCC[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001201814142 1054910667 /nfs/dbraw/zinc/91/06/67/1054910667.db2.gz MFQSQAODCYOMPN-UHFFFAOYSA-N 2 1 346.563 4.088 20 30 EIEDMP CCCCCCCC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001201813612 1054911755 /nfs/dbraw/zinc/91/17/55/1054911755.db2.gz HBYMAFCDZDORJX-UHFFFAOYSA-N 2 1 346.563 4.211 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)C1 ZINC000067668312 524233790 /nfs/dbraw/zinc/23/37/90/524233790.db2.gz NZJSPIPUYVLZHP-GOSISDBHSA-N 2 1 333.479 4.080 20 30 EIEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000532242538 1032121669 /nfs/dbraw/zinc/12/16/69/1032121669.db2.gz GJBGEFHMOKANTA-XZOQPEGZSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000532242538 1032121679 /nfs/dbraw/zinc/12/16/79/1032121679.db2.gz GJBGEFHMOKANTA-XZOQPEGZSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000532242538 1032121688 /nfs/dbraw/zinc/12/16/88/1032121688.db2.gz GJBGEFHMOKANTA-XZOQPEGZSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000532242538 1032121697 /nfs/dbraw/zinc/12/16/97/1032121697.db2.gz GJBGEFHMOKANTA-XZOQPEGZSA-N 2 1 345.490 4.045 20 30 EIEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001167077845 1019567697 /nfs/dbraw/zinc/56/76/97/1019567697.db2.gz OVNWNTAQFRLDSA-UHFFFAOYSA-N 2 1 327.516 4.119 20 30 EIEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065496 1022856372 /nfs/dbraw/zinc/85/63/72/1022856372.db2.gz XZENSHBJDREWAS-NQIIRXRSSA-N 2 1 333.479 4.121 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000236689711 1023125524 /nfs/dbraw/zinc/12/55/24/1023125524.db2.gz GMTLPQVFKVMONP-UHFFFAOYSA-N 2 1 338.442 4.035 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611590725 1026507412 /nfs/dbraw/zinc/50/74/12/1026507412.db2.gz BTMOUPTVOSIOHV-DKZVUGQWSA-N 2 1 337.511 4.178 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244663 1026569951 /nfs/dbraw/zinc/56/99/51/1026569951.db2.gz OSYJFAOBMLPHBW-WMZHIEFXSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244663 1026569957 /nfs/dbraw/zinc/56/99/57/1026569957.db2.gz OSYJFAOBMLPHBW-WMZHIEFXSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244663 1026569968 /nfs/dbraw/zinc/56/99/68/1026569968.db2.gz OSYJFAOBMLPHBW-WMZHIEFXSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244663 1026569977 /nfs/dbraw/zinc/56/99/77/1026569977.db2.gz OSYJFAOBMLPHBW-WMZHIEFXSA-N 2 1 345.490 4.217 20 30 EIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512279570 1026645951 /nfs/dbraw/zinc/64/59/51/1026645951.db2.gz FXRVEYYQYTURET-INIZCTEOSA-N 2 1 339.458 4.388 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000562082606 1026766287 /nfs/dbraw/zinc/76/62/87/1026766287.db2.gz QIEFPVHLSVTHJD-FHZYATBESA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@H+]1Cc1ccccc1 ZINC000562082606 1026766302 /nfs/dbraw/zinc/76/63/02/1026766302.db2.gz QIEFPVHLSVTHJD-FHZYATBESA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@H]1CC([N@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053326 1029157513 /nfs/dbraw/zinc/15/75/13/1029157513.db2.gz NSVGKQCQMCINNC-OALUTQOASA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@H]1CC([N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053326 1029157517 /nfs/dbraw/zinc/15/75/17/1029157517.db2.gz NSVGKQCQMCINNC-OALUTQOASA-N 2 1 347.506 4.432 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000158090116 1029307734 /nfs/dbraw/zinc/30/77/34/1029307734.db2.gz AAYMWYFETKAARS-UHFFFAOYSA-N 2 1 329.875 4.018 20 30 EIEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000453287499 1031807264 /nfs/dbraw/zinc/80/72/64/1031807264.db2.gz GEDUYYGHCNCUNL-AFVILVPDSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000614184869 1033636945 /nfs/dbraw/zinc/63/69/45/1033636945.db2.gz BHMSIJBRFUYQBF-MJGOQNOKSA-N 2 1 339.527 4.230 20 30 EIEDMP C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000614184858 1033637559 /nfs/dbraw/zinc/63/75/59/1033637559.db2.gz BHMSIJBRFUYQBF-HKUYNNGSSA-N 2 1 339.527 4.230 20 30 EIEDMP C[C@H]1C[C@H](CC[NH2+]CC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000513507766 1034992995 /nfs/dbraw/zinc/99/29/95/1034992995.db2.gz VSYGEFXIXNZHKE-ICSRJNTNSA-N 2 1 327.516 4.207 20 30 EIEDMP C=C(C)CN1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000513510964 1035005452 /nfs/dbraw/zinc/00/54/52/1035005452.db2.gz GVFDPJVUBICIGG-UHFFFAOYSA-N 2 1 346.824 4.489 20 30 EIEDMP N#CC1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602654394 1036551445 /nfs/dbraw/zinc/55/14/45/1036551445.db2.gz GVAFQHAHMVAFRZ-IQDQWBFVSA-N 2 1 337.511 4.274 20 30 EIEDMP N#CC1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602654394 1036551466 /nfs/dbraw/zinc/55/14/66/1036551466.db2.gz GVAFQHAHMVAFRZ-IQDQWBFVSA-N 2 1 337.511 4.274 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602661376 1036557415 /nfs/dbraw/zinc/55/74/15/1036557415.db2.gz DRWIDAICDSAQMJ-ICSRJNTNSA-N 2 1 325.500 4.274 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602661376 1036557436 /nfs/dbraw/zinc/55/74/36/1036557436.db2.gz DRWIDAICDSAQMJ-ICSRJNTNSA-N 2 1 325.500 4.274 20 30 EIEDMP Cc1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191493 1037394386 /nfs/dbraw/zinc/39/43/86/1037394386.db2.gz AILLCUVFVKNKBD-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191493 1037394405 /nfs/dbraw/zinc/39/44/05/1037394405.db2.gz AILLCUVFVKNKBD-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191493 1037394423 /nfs/dbraw/zinc/39/44/23/1037394423.db2.gz AILLCUVFVKNKBD-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191493 1037394437 /nfs/dbraw/zinc/39/44/37/1037394437.db2.gz AILLCUVFVKNKBD-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191493 1037394456 /nfs/dbraw/zinc/39/44/56/1037394456.db2.gz AILLCUVFVKNKBD-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191493 1037394476 /nfs/dbraw/zinc/39/44/76/1037394476.db2.gz AILLCUVFVKNKBD-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191493 1037394493 /nfs/dbraw/zinc/39/44/93/1037394493.db2.gz AILLCUVFVKNKBD-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191492 1037395553 /nfs/dbraw/zinc/39/55/53/1037395553.db2.gz AILLCUVFVKNKBD-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191492 1037395578 /nfs/dbraw/zinc/39/55/78/1037395578.db2.gz AILLCUVFVKNKBD-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191492 1037395599 /nfs/dbraw/zinc/39/55/99/1037395599.db2.gz AILLCUVFVKNKBD-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191492 1037395621 /nfs/dbraw/zinc/39/56/21/1037395621.db2.gz AILLCUVFVKNKBD-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191492 1037395641 /nfs/dbraw/zinc/39/56/41/1037395641.db2.gz AILLCUVFVKNKBD-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191492 1037395660 /nfs/dbraw/zinc/39/56/60/1037395660.db2.gz AILLCUVFVKNKBD-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249410882 1037895716 /nfs/dbraw/zinc/89/57/16/1037895716.db2.gz XWVKRELKYONVKC-GGPKGHCWSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249410882 1037895719 /nfs/dbraw/zinc/89/57/19/1037895719.db2.gz XWVKRELKYONVKC-GGPKGHCWSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249410882 1037895725 /nfs/dbraw/zinc/89/57/25/1037895725.db2.gz XWVKRELKYONVKC-GGPKGHCWSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249410882 1037895728 /nfs/dbraw/zinc/89/57/28/1037895728.db2.gz XWVKRELKYONVKC-GGPKGHCWSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494541 1038346787 /nfs/dbraw/zinc/34/67/87/1038346787.db2.gz HWAVKSGASIXDHQ-GOSISDBHSA-N 2 1 327.516 4.232 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481915665 1039893670 /nfs/dbraw/zinc/89/36/70/1039893670.db2.gz CTJXKOGZBKNSBE-HNNXBMFYSA-N 2 1 340.433 4.267 20 30 EIEDMP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551560339 1040410354 /nfs/dbraw/zinc/41/03/54/1040410354.db2.gz RMQXTCDVSJCXCW-WIYYLYMNSA-N 2 1 345.490 4.048 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000438835090 1042376138 /nfs/dbraw/zinc/37/61/38/1042376138.db2.gz JXGCYSGXRYVNNZ-NRFANRHFSA-N 2 1 337.511 4.484 20 30 EIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271957255 1042562084 /nfs/dbraw/zinc/56/20/84/1042562084.db2.gz SKGNGCFFSOKIIU-INIZCTEOSA-N 2 1 339.458 4.388 20 30 EIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964531 1042592862 /nfs/dbraw/zinc/59/28/62/1042592862.db2.gz RZZPDWZHVUDLHS-INIZCTEOSA-N 2 1 339.458 4.388 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(Cl)s2)CC1 ZINC000152944952 1043028413 /nfs/dbraw/zinc/02/84/13/1043028413.db2.gz QHYYLUWHLMQQOD-AWEZNQCLSA-N 2 1 326.937 4.353 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000730019591 1043435833 /nfs/dbraw/zinc/43/58/33/1043435833.db2.gz MIWBOHAHFAUGKA-UHFFFAOYSA-N 2 1 336.479 4.189 20 30 EIEDMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442706204 1043813124 /nfs/dbraw/zinc/81/31/24/1043813124.db2.gz CQVLWYHNJYUMHH-PXNSSMCTSA-N 2 1 325.500 4.233 20 30 EIEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108167 1044237328 /nfs/dbraw/zinc/23/73/28/1044237328.db2.gz PJXBQWZJSGYKAT-JTSKRJEESA-N 2 1 333.479 4.045 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491807 1044649719 /nfs/dbraw/zinc/64/97/19/1044649719.db2.gz GGJKIGHCFKLYLT-NPPFBWRTSA-N 2 1 333.479 4.119 20 30 EIEDMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526256 1045321346 /nfs/dbraw/zinc/32/13/46/1045321346.db2.gz FVGFICUZCWZRQR-QMZRJTEUSA-N 2 1 345.490 4.404 20 30 EIEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000537047504 1046914788 /nfs/dbraw/zinc/91/47/88/1046914788.db2.gz QHTNBNXBBIHNAF-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000537047504 1046914800 /nfs/dbraw/zinc/91/48/00/1046914800.db2.gz QHTNBNXBBIHNAF-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000815652609 1048575769 /nfs/dbraw/zinc/57/57/69/1048575769.db2.gz JOSRHZCIMQVDSW-INIZCTEOSA-N 2 1 341.524 4.033 20 30 EIEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000815652609 1048575786 /nfs/dbraw/zinc/57/57/86/1048575786.db2.gz JOSRHZCIMQVDSW-INIZCTEOSA-N 2 1 341.524 4.033 20 30 EIEDMP C#Cc1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001144569515 1048733020 /nfs/dbraw/zinc/73/30/20/1048733020.db2.gz SPNBTFOZXDGAPH-QFIPXVFZSA-N 2 1 348.490 4.138 20 30 EIEDMP C#Cc1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001144569513 1048734156 /nfs/dbraw/zinc/73/41/56/1048734156.db2.gz SPNBTFOZXDGAPH-JOCHJYFZSA-N 2 1 348.490 4.138 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201238 1048759593 /nfs/dbraw/zinc/75/95/93/1048759593.db2.gz IUXXYXZRTMVEIL-OZOXKJRCSA-N 2 1 325.500 4.004 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001171202138 1048760224 /nfs/dbraw/zinc/76/02/24/1048760224.db2.gz WEKQDLPTSNYMBM-LJQANCHMSA-N 2 1 347.506 4.134 20 30 EIEDMP C#CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115688 1049586708 /nfs/dbraw/zinc/58/67/08/1049586708.db2.gz OENTVBMBRDTOCX-OIBXWCBGSA-N 2 1 332.491 4.394 20 30 EIEDMP C#CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115688 1049586721 /nfs/dbraw/zinc/58/67/21/1049586721.db2.gz OENTVBMBRDTOCX-OIBXWCBGSA-N 2 1 332.491 4.394 20 30 EIEDMP C[C@H](CCCC#N)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001172507058 1049925863 /nfs/dbraw/zinc/92/58/63/1049925863.db2.gz OHKLCGRRCTXZMM-LJQANCHMSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000248789110 1050077857 /nfs/dbraw/zinc/07/78/57/1050077857.db2.gz IOTXUULZYLNZMI-QMMLZNLJSA-N 2 1 325.500 4.090 20 30 EIEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001173312924 1050406597 /nfs/dbraw/zinc/40/65/97/1050406597.db2.gz NIDRMLFTTIWVGD-DWOCFRCJSA-N 2 1 342.527 4.143 20 30 EIEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001173312924 1050406606 /nfs/dbraw/zinc/40/66/06/1050406606.db2.gz NIDRMLFTTIWVGD-DWOCFRCJSA-N 2 1 342.527 4.143 20 30 EIEDMP C[C@H]1C[C@H]([NH2+]C2CCC(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001173327710 1050420511 /nfs/dbraw/zinc/42/05/11/1050420511.db2.gz HHNXGFPYLDMSLW-QUWFBVPJSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@H]1C[C@H]([NH2+]C2CCC(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001173327710 1050420520 /nfs/dbraw/zinc/42/05/20/1050420520.db2.gz HHNXGFPYLDMSLW-QUWFBVPJSA-N 2 1 325.500 4.102 20 30 EIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173334639 1050424920 /nfs/dbraw/zinc/42/49/20/1050424920.db2.gz ZFDFSCBQICWMNH-DQVLVPHSSA-N 2 1 339.527 4.349 20 30 EIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173334639 1050424930 /nfs/dbraw/zinc/42/49/30/1050424930.db2.gz ZFDFSCBQICWMNH-DQVLVPHSSA-N 2 1 339.527 4.349 20 30 EIEDMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCC(CC#N)CC1 ZINC001173337541 1050427703 /nfs/dbraw/zinc/42/77/03/1050427703.db2.gz NXTFPGUPEQDNIF-UHFFFAOYSA-N 2 1 339.527 4.303 20 30 EIEDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173593100 1050497874 /nfs/dbraw/zinc/49/78/74/1050497874.db2.gz HZBAHEILRZQGMH-UREXAPBRSA-N 2 1 339.527 4.207 20 30 EIEDMP CC1(C#N)CCC([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173600020 1050502254 /nfs/dbraw/zinc/50/22/54/1050502254.db2.gz UZFFIFXOMKQRLY-HRTMPFAESA-N 2 1 337.511 4.057 20 30 EIEDMP CC1(C#N)CCC([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173600020 1050502265 /nfs/dbraw/zinc/50/22/65/1050502265.db2.gz UZFFIFXOMKQRLY-HRTMPFAESA-N 2 1 337.511 4.057 20 30 EIEDMP CC1(C#N)CCC([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173600020 1050502279 /nfs/dbraw/zinc/50/22/79/1050502279.db2.gz UZFFIFXOMKQRLY-HRTMPFAESA-N 2 1 337.511 4.057 20 30 EIEDMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000619755715 1050884044 /nfs/dbraw/zinc/88/40/44/1050884044.db2.gz QDPIAKGMMKKYCX-BEFAXECRSA-N 2 1 345.918 4.344 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001191549306 1051486035 /nfs/dbraw/zinc/48/60/35/1051486035.db2.gz ASHHRRDPJBMUES-LJQANCHMSA-N 2 1 339.527 4.077 20 30 EIEDMP CC(C)(C#N)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159114523 1051814350 /nfs/dbraw/zinc/81/43/50/1051814350.db2.gz NESRLWZXTQCZKB-RTWAWAEBSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159114523 1051814355 /nfs/dbraw/zinc/81/43/55/1051814355.db2.gz NESRLWZXTQCZKB-RTWAWAEBSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159114523 1051814359 /nfs/dbraw/zinc/81/43/59/1051814359.db2.gz NESRLWZXTQCZKB-RTWAWAEBSA-N 2 1 339.527 4.303 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000174272212 1052564017 /nfs/dbraw/zinc/56/40/17/1052564017.db2.gz DDPBMXHZHKCKLA-SFHVURJKSA-N 2 1 327.516 4.481 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000765144082 1053453120 /nfs/dbraw/zinc/45/31/20/1053453120.db2.gz RLVCCFANQFBLQJ-HNNXBMFYSA-N 2 1 333.863 4.064 20 30 EIEDMP CCCCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201815193 1054915142 /nfs/dbraw/zinc/91/51/42/1054915142.db2.gz YRTYGQSEQJHWFY-GOSISDBHSA-N 2 1 334.552 4.460 20 30 EIEDMP CCCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001201815193 1054915159 /nfs/dbraw/zinc/91/51/59/1054915159.db2.gz YRTYGQSEQJHWFY-GOSISDBHSA-N 2 1 334.552 4.460 20 30 EIEDMP CCCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201815193 1054915175 /nfs/dbraw/zinc/91/51/75/1054915175.db2.gz YRTYGQSEQJHWFY-GOSISDBHSA-N 2 1 334.552 4.460 20 30 EIEDMP CCCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201815193 1054915196 /nfs/dbraw/zinc/91/51/96/1054915196.db2.gz YRTYGQSEQJHWFY-GOSISDBHSA-N 2 1 334.552 4.460 20 30 EIEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412103 1056105488 /nfs/dbraw/zinc/10/54/88/1056105488.db2.gz USAMYIRUSQPIEN-DRSNIGMVSA-N 2 1 333.479 4.044 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC001167425454 1022322045 /nfs/dbraw/zinc/32/20/45/1022322045.db2.gz RCMAXJQREMJCGX-UXHICEINSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC2(C#N)CCCCC2)C1 ZINC001167425454 1022322059 /nfs/dbraw/zinc/32/20/59/1022322059.db2.gz RCMAXJQREMJCGX-UXHICEINSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2(C#N)CCCCC2)C1 ZINC001167425454 1022322063 /nfs/dbraw/zinc/32/20/63/1022322063.db2.gz RCMAXJQREMJCGX-UXHICEINSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001167425454 1022322065 /nfs/dbraw/zinc/32/20/65/1022322065.db2.gz RCMAXJQREMJCGX-UXHICEINSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001167425454 1022322077 /nfs/dbraw/zinc/32/20/77/1022322077.db2.gz RCMAXJQREMJCGX-UXHICEINSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC001167425456 1022323590 /nfs/dbraw/zinc/32/35/90/1022323590.db2.gz RCMAXJQREMJCGX-VQTJNVASSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC2(C#N)CCCCC2)C1 ZINC001167425456 1022323608 /nfs/dbraw/zinc/32/36/08/1022323608.db2.gz RCMAXJQREMJCGX-VQTJNVASSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2(C#N)CCCCC2)C1 ZINC001167425456 1022323621 /nfs/dbraw/zinc/32/36/21/1022323621.db2.gz RCMAXJQREMJCGX-VQTJNVASSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001167425456 1022323638 /nfs/dbraw/zinc/32/36/38/1022323638.db2.gz RCMAXJQREMJCGX-VQTJNVASSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001167425456 1022323656 /nfs/dbraw/zinc/32/36/56/1022323656.db2.gz RCMAXJQREMJCGX-VQTJNVASSA-N 2 1 331.548 4.437 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1F ZINC000181574014 1022387079 /nfs/dbraw/zinc/38/70/79/1022387079.db2.gz AKRUQDODNOSHOK-CQSZACIVSA-N 2 1 334.398 4.042 20 30 EIEDMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H]1c1ccccc1 ZINC000417370806 1023292520 /nfs/dbraw/zinc/29/25/20/1023292520.db2.gz SURKASIDDKPWLV-WWNPGLIZSA-N 2 1 345.490 4.361 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H]1c1ccccc1 ZINC000417370806 1023292528 /nfs/dbraw/zinc/29/25/28/1023292528.db2.gz SURKASIDDKPWLV-WWNPGLIZSA-N 2 1 345.490 4.361 20 30 EIEDMP C[C@@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)cc1Cl ZINC000377104478 1023371586 /nfs/dbraw/zinc/37/15/86/1023371586.db2.gz RHIPYWSAACRJQP-CQSZACIVSA-N 2 1 336.826 4.248 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178986 1023781193 /nfs/dbraw/zinc/78/11/93/1023781193.db2.gz YAYHZWGQIVREAZ-SPEDKVCISA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178986 1023781196 /nfs/dbraw/zinc/78/11/96/1023781196.db2.gz YAYHZWGQIVREAZ-SPEDKVCISA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000343445838 1029264097 /nfs/dbraw/zinc/26/40/97/1029264097.db2.gz NSAIMOPCCFDGRU-INIZCTEOSA-N 2 1 339.508 4.284 20 30 EIEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000657880412 1030157719 /nfs/dbraw/zinc/15/77/19/1030157719.db2.gz XJZBULWIAXZPDD-VQTJNVASSA-N 2 1 345.531 4.228 20 30 EIEDMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000449073713 1031428803 /nfs/dbraw/zinc/42/88/03/1031428803.db2.gz NSJSLHVQQWPWIB-MOPGFXCFSA-N 2 1 347.506 4.304 20 30 EIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000411551277 1033986330 /nfs/dbraw/zinc/98/63/30/1033986330.db2.gz MGYBGVRRIAPOOW-TZIWHRDSSA-N 2 1 339.527 4.351 20 30 EIEDMP C[C@@H]1C[C@@H](CC[NH2+]CC(C)(C)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000513507769 1034992244 /nfs/dbraw/zinc/99/22/44/1034992244.db2.gz VSYGEFXIXNZHKE-UYAOXDASSA-N 2 1 327.516 4.207 20 30 EIEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094384 1035821898 /nfs/dbraw/zinc/82/18/98/1035821898.db2.gz LVBOIWBBOGGPHD-DENIHFKCSA-N 2 1 337.511 4.037 20 30 EIEDMP C(#Cc1ccccc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472432 1035927900 /nfs/dbraw/zinc/92/79/00/1035927900.db2.gz CFMLXBYTMOWPKA-UHFFFAOYSA-N 2 1 344.502 4.026 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646852 1037131100 /nfs/dbraw/zinc/13/11/00/1037131100.db2.gz LWZIPIJRBLLTMB-OALUTQOASA-N 2 1 347.506 4.304 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249390474 1037795644 /nfs/dbraw/zinc/79/56/44/1037795644.db2.gz RIXDLCPGFLEXPG-WIYYLYMNSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249390474 1037795658 /nfs/dbraw/zinc/79/56/58/1037795658.db2.gz RIXDLCPGFLEXPG-WIYYLYMNSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363607 1037913425 /nfs/dbraw/zinc/91/34/25/1037913425.db2.gz FZNQCAOZNJBXHH-GCJKJVERSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363607 1037913439 /nfs/dbraw/zinc/91/34/39/1037913439.db2.gz FZNQCAOZNJBXHH-GCJKJVERSA-N 2 1 345.490 4.406 20 30 EIEDMP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000594493426 1038344255 /nfs/dbraw/zinc/34/42/55/1038344255.db2.gz NIAYBAACLYXAIK-UHFFFAOYSA-N 2 1 347.506 4.242 20 30 EIEDMP N#Cc1cc(Cl)ccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC001168317203 1038824118 /nfs/dbraw/zinc/82/41/18/1038824118.db2.gz LMAWDIZKKRDYPG-UHFFFAOYSA-N 2 1 345.918 4.300 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000476983661 1040098373 /nfs/dbraw/zinc/09/83/73/1040098373.db2.gz LXMYJMPWYCEYFR-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992891 1042728571 /nfs/dbraw/zinc/72/85/71/1042728571.db2.gz HUGSPQDLUCFTTE-QUCCMNQESA-N 2 1 339.508 4.101 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033847 1043587286 /nfs/dbraw/zinc/58/72/86/1043587286.db2.gz QDSFUIFNVZUQRT-PNLZDCPESA-N 2 1 333.479 4.359 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033847 1043587301 /nfs/dbraw/zinc/58/73/01/1043587301.db2.gz QDSFUIFNVZUQRT-PNLZDCPESA-N 2 1 333.479 4.359 20 30 EIEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543206847 1044129936 /nfs/dbraw/zinc/12/99/36/1044129936.db2.gz DGLLTXWFZQXVIR-WMZHIEFXSA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000543206847 1044129958 /nfs/dbraw/zinc/12/99/58/1044129958.db2.gz DGLLTXWFZQXVIR-WMZHIEFXSA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000543206847 1044129988 /nfs/dbraw/zinc/12/99/88/1044129988.db2.gz DGLLTXWFZQXVIR-WMZHIEFXSA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000543206847 1044130008 /nfs/dbraw/zinc/13/00/08/1044130008.db2.gz DGLLTXWFZQXVIR-WMZHIEFXSA-N 2 1 347.506 4.238 20 30 EIEDMP C=C(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000675784508 1044495016 /nfs/dbraw/zinc/49/50/16/1044495016.db2.gz YKDVLNFPTRPQJQ-UHFFFAOYSA-N 2 1 338.470 4.136 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267934 1045015569 /nfs/dbraw/zinc/01/55/69/1045015569.db2.gz MTWKRXBAROPBBY-MRXNPFEDSA-N 2 1 342.446 4.392 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000236783615 1045366141 /nfs/dbraw/zinc/36/61/41/1045366141.db2.gz XROZIVZFRAGBPV-UHFFFAOYSA-N 2 1 330.516 4.242 20 30 EIEDMP CC1(C)[C@@H]2C[C@H]([N@@H+](Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170735946 1047913478 /nfs/dbraw/zinc/91/34/78/1047913478.db2.gz BJEXEARFSALKPV-YXOJAJARSA-N 2 1 337.511 4.065 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001171182459 1048674497 /nfs/dbraw/zinc/67/44/97/1048674497.db2.gz VKCYDHILIPHQIP-DNVFCKCGSA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001171182459 1048674501 /nfs/dbraw/zinc/67/45/01/1048674501.db2.gz VKCYDHILIPHQIP-DNVFCKCGSA-N 2 1 347.506 4.132 20 30 EIEDMP C#Cc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001144576203 1048735122 /nfs/dbraw/zinc/73/51/22/1048735122.db2.gz GDXKPHYOAJQJSR-UHFFFAOYSA-N 2 1 332.491 4.012 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001171231420 1048870675 /nfs/dbraw/zinc/87/06/75/1048870675.db2.gz JNURGGNTTGKDTO-GOSISDBHSA-N 2 1 339.527 4.218 20 30 EIEDMP C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369371 1049897199 /nfs/dbraw/zinc/89/71/99/1049897199.db2.gz QNGNNMJUICONHF-IUGIXFBWSA-N 2 1 339.527 4.455 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001172486753 1049911426 /nfs/dbraw/zinc/91/14/26/1049911426.db2.gz HAUCZGDUQGSSCK-CQSZACIVSA-N 2 1 339.405 4.038 20 30 EIEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001172494403 1049921889 /nfs/dbraw/zinc/92/18/89/1049921889.db2.gz GPDAYEZDDAKJIA-UMGGQSCQSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001172494403 1049921892 /nfs/dbraw/zinc/92/18/92/1049921892.db2.gz GPDAYEZDDAKJIA-UMGGQSCQSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001172494403 1049921896 /nfs/dbraw/zinc/92/18/96/1049921896.db2.gz GPDAYEZDDAKJIA-UMGGQSCQSA-N 2 1 345.556 4.363 20 30 EIEDMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H](C)CCCC#N)C[C@@H]21 ZINC001172500231 1049923440 /nfs/dbraw/zinc/92/34/40/1049923440.db2.gz XVZOZRHHKFTYDG-FIRPJDEBSA-N 2 1 325.500 4.179 20 30 EIEDMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@@H](C)CCCC#N)C[C@@H]21 ZINC001172500231 1049923442 /nfs/dbraw/zinc/92/34/42/1049923442.db2.gz XVZOZRHHKFTYDG-FIRPJDEBSA-N 2 1 325.500 4.179 20 30 EIEDMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@@H](C)CCCC#N)C[C@@H]21 ZINC001172500231 1049923445 /nfs/dbraw/zinc/92/34/45/1049923445.db2.gz XVZOZRHHKFTYDG-FIRPJDEBSA-N 2 1 325.500 4.179 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172510296 1049925521 /nfs/dbraw/zinc/92/55/21/1049925521.db2.gz ZHAJWRGSLQICLW-MRXNPFEDSA-N 2 1 333.907 4.319 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172510296 1049925528 /nfs/dbraw/zinc/92/55/28/1049925528.db2.gz ZHAJWRGSLQICLW-MRXNPFEDSA-N 2 1 333.907 4.319 20 30 EIEDMP N#CCC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001173326061 1050418660 /nfs/dbraw/zinc/41/86/60/1050418660.db2.gz RRBPTYRSFFHQBU-BHCIHEEESA-N 2 1 337.511 4.244 20 30 EIEDMP N#CCC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001173330507 1050420446 /nfs/dbraw/zinc/42/04/46/1050420446.db2.gz RRBPTYRSFFHQBU-WFWPFLIISA-N 2 1 337.511 4.244 20 30 EIEDMP N#CCC1CCC([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173333459 1050423602 /nfs/dbraw/zinc/42/36/02/1050423602.db2.gz MEVCDXQRRGZDQL-BXQDZUEOSA-N 2 1 343.490 4.370 20 30 EIEDMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173596316 1050496743 /nfs/dbraw/zinc/49/67/43/1050496743.db2.gz RRESXTGHZAWNGK-UHFFFAOYSA-N 2 1 325.500 4.055 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805448 1050532864 /nfs/dbraw/zinc/53/28/64/1050532864.db2.gz OGZMQAOTVJDYGA-NYHFZMIOSA-N 2 1 342.446 4.391 20 30 EIEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619465923 1050790064 /nfs/dbraw/zinc/79/00/64/1050790064.db2.gz HYVYPFDOSLLCMZ-REWPJTCUSA-N 2 1 345.490 4.047 20 30 EIEDMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000619755718 1050883767 /nfs/dbraw/zinc/88/37/67/1050883767.db2.gz QDPIAKGMMKKYCX-KXBFYZLASA-N 2 1 345.918 4.344 20 30 EIEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001182325967 1051499577 /nfs/dbraw/zinc/49/95/77/1051499577.db2.gz DLMFLJIWVAMZIM-HSZRJFAPSA-N 2 1 334.507 4.428 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174270731 1052563867 /nfs/dbraw/zinc/56/38/67/1052563867.db2.gz DJXVNBVHXCFNIY-GOSISDBHSA-N 2 1 327.516 4.481 20 30 EIEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000765289634 1053494501 /nfs/dbraw/zinc/49/45/01/1053494501.db2.gz CHWHZBRXXIXJIR-IAGOWNOFSA-N 2 1 336.907 4.200 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000766348499 1060272761 /nfs/dbraw/zinc/27/27/61/1060272761.db2.gz AENNTZBKFBBULZ-KRWDZBQOSA-N 2 1 325.500 4.254 20 30 EIEDMP CC(C)(C#N)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291329607 1021654684 /nfs/dbraw/zinc/65/46/84/1021654684.db2.gz ABQCXQMYOPTYAB-UHFFFAOYSA-N 2 1 339.527 4.304 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065497 1022857834 /nfs/dbraw/zinc/85/78/34/1022857834.db2.gz XZENSHBJDREWAS-RXVVDRJESA-N 2 1 333.479 4.121 20 30 EIEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000341759030 1024617313 /nfs/dbraw/zinc/61/73/13/1024617313.db2.gz SXRPBYDNELEVPO-QHCPKHFHSA-N 2 1 345.490 4.190 20 30 EIEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291275 1026654262 /nfs/dbraw/zinc/65/42/62/1026654262.db2.gz GZYUEKCMGYPWJX-JOCHJYFZSA-N 2 1 339.527 4.304 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291275 1026654264 /nfs/dbraw/zinc/65/42/64/1026654264.db2.gz GZYUEKCMGYPWJX-JOCHJYFZSA-N 2 1 339.527 4.304 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291275 1026654269 /nfs/dbraw/zinc/65/42/69/1026654269.db2.gz GZYUEKCMGYPWJX-JOCHJYFZSA-N 2 1 339.527 4.304 20 30 EIEDMP C[N@H+](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 ZINC000507658234 1026868037 /nfs/dbraw/zinc/86/80/37/1026868037.db2.gz GJNCAPBSNBDKMF-UHFFFAOYSA-N 2 1 339.527 4.245 20 30 EIEDMP C[N@@H+](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 ZINC000507658234 1026868038 /nfs/dbraw/zinc/86/80/38/1026868038.db2.gz GJNCAPBSNBDKMF-UHFFFAOYSA-N 2 1 339.527 4.245 20 30 EIEDMP C[C@@H]1CC([N@H+]2CCC[C@@H](CC#N)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168058785 1029371819 /nfs/dbraw/zinc/37/18/19/1029371819.db2.gz CFNZOZZOPUYCDT-GGPKGHCWSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1CC([N@@H+]2CCC[C@@H](CC#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058785 1029371822 /nfs/dbraw/zinc/37/18/22/1029371822.db2.gz CFNZOZZOPUYCDT-GGPKGHCWSA-N 2 1 325.500 4.054 20 30 EIEDMP N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000531103744 1030876937 /nfs/dbraw/zinc/87/69/37/1030876937.db2.gz QTXTXYTZQFKFHT-HSZRJFAPSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000531103744 1030876939 /nfs/dbraw/zinc/87/69/39/1030876939.db2.gz QTXTXYTZQFKFHT-HSZRJFAPSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000531103744 1030876942 /nfs/dbraw/zinc/87/69/42/1030876942.db2.gz QTXTXYTZQFKFHT-HSZRJFAPSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000531103744 1030876945 /nfs/dbraw/zinc/87/69/45/1030876945.db2.gz QTXTXYTZQFKFHT-HSZRJFAPSA-N 2 1 345.490 4.046 20 30 EIEDMP Cc1nccn1-c1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000151149731 1034823209 /nfs/dbraw/zinc/82/32/09/1034823209.db2.gz QFCYRGOZBXKOFJ-AWEZNQCLSA-N 2 1 334.398 4.042 20 30 EIEDMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000513511362 1034991900 /nfs/dbraw/zinc/99/19/00/1034991900.db2.gz IUDVKIAOEOCRGQ-WMZOPIPTSA-N 2 1 339.508 4.010 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508027 1036484002 /nfs/dbraw/zinc/48/40/02/1036484002.db2.gz KWQYTAAKHLJOBL-IRLDBZIGSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508027 1036484011 /nfs/dbraw/zinc/48/40/11/1036484011.db2.gz KWQYTAAKHLJOBL-IRLDBZIGSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508030 1036484208 /nfs/dbraw/zinc/48/42/08/1036484208.db2.gz KWQYTAAKHLJOBL-UNMCSNQZSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508030 1036484218 /nfs/dbraw/zinc/48/42/18/1036484218.db2.gz KWQYTAAKHLJOBL-UNMCSNQZSA-N 2 1 331.463 4.016 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602513772 1036491152 /nfs/dbraw/zinc/49/11/52/1036491152.db2.gz CVEIHBSAIDABML-XPQZIERPSA-N 2 1 325.500 4.233 20 30 EIEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000589637007 1036855287 /nfs/dbraw/zinc/85/52/87/1036855287.db2.gz XOPDCAHICOWXJL-MRXNPFEDSA-N 2 1 336.907 4.259 20 30 EIEDMP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000589637007 1036855288 /nfs/dbraw/zinc/85/52/88/1036855288.db2.gz XOPDCAHICOWXJL-MRXNPFEDSA-N 2 1 336.907 4.259 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424315647 1038801660 /nfs/dbraw/zinc/80/16/60/1038801660.db2.gz PQOXAEUONNSEHE-IBGZPJMESA-N 2 1 341.524 4.057 20 30 EIEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818668 1039374114 /nfs/dbraw/zinc/37/41/14/1039374114.db2.gz PNTUEPLNCYNSKY-RBBKRZOGSA-N 2 1 336.479 4.177 20 30 EIEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818668 1039374126 /nfs/dbraw/zinc/37/41/26/1039374126.db2.gz PNTUEPLNCYNSKY-RBBKRZOGSA-N 2 1 336.479 4.177 20 30 EIEDMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3(c4cccc(C#N)c4)CC3)CC2)C1 ZINC000551811108 1040620970 /nfs/dbraw/zinc/62/09/70/1040620970.db2.gz FHFFYWDNACFWFJ-UTKZUKDTSA-N 2 1 337.511 4.180 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000463285022 1041475501 /nfs/dbraw/zinc/47/55/01/1041475501.db2.gz SKKVPNVUPRWQKG-LMVRJCEZSA-N 2 1 339.527 4.336 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000438835093 1042375858 /nfs/dbraw/zinc/37/58/58/1042375858.db2.gz JXGCYSGXRYVNNZ-OAQYLSRUSA-N 2 1 337.511 4.484 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000152931530 1043022457 /nfs/dbraw/zinc/02/24/57/1043022457.db2.gz GNXLLIQYMFKKQR-LJQANCHMSA-N 2 1 341.543 4.368 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033846 1043585823 /nfs/dbraw/zinc/58/58/23/1043585823.db2.gz QDSFUIFNVZUQRT-JLHGSKIFSA-N 2 1 333.479 4.359 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033846 1043585844 /nfs/dbraw/zinc/58/58/44/1043585844.db2.gz QDSFUIFNVZUQRT-JLHGSKIFSA-N 2 1 333.479 4.359 20 30 EIEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543206839 1044126324 /nfs/dbraw/zinc/12/63/24/1044126324.db2.gz DGLLTXWFZQXVIR-AUSIDOKSSA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000543206839 1044126348 /nfs/dbraw/zinc/12/63/48/1044126348.db2.gz DGLLTXWFZQXVIR-AUSIDOKSSA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000543206839 1044126367 /nfs/dbraw/zinc/12/63/67/1044126367.db2.gz DGLLTXWFZQXVIR-AUSIDOKSSA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000543206839 1044126382 /nfs/dbraw/zinc/12/63/82/1044126382.db2.gz DGLLTXWFZQXVIR-AUSIDOKSSA-N 2 1 347.506 4.238 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498942517 1048000331 /nfs/dbraw/zinc/00/03/31/1048000331.db2.gz VEUJLTASKMPHMU-HXUWFJFHSA-N 2 1 328.475 4.392 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199370 1048730485 /nfs/dbraw/zinc/73/04/85/1048730485.db2.gz YWUHSZHIYXWUDJ-XJABCFGWSA-N 2 1 339.527 4.394 20 30 EIEDMP CC1(C)C[C@H]([NH2+]Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC001171974681 1049836122 /nfs/dbraw/zinc/83/61/22/1049836122.db2.gz AEQVPNKYPUNPLV-GOSISDBHSA-N 2 1 339.508 4.153 20 30 EIEDMP CC1(C)C[C@H]([NH2+]Cc2cc(C#N)cs2)CC[N@H+]1Cc1ccccc1 ZINC001171974681 1049836124 /nfs/dbraw/zinc/83/61/24/1049836124.db2.gz AEQVPNKYPUNPLV-GOSISDBHSA-N 2 1 339.508 4.153 20 30 EIEDMP CC1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076914 1049844922 /nfs/dbraw/zinc/84/49/22/1049844922.db2.gz BAGOYTPPDMFNDV-WKCHPHFGSA-N 2 1 337.511 4.198 20 30 EIEDMP CCC(CC)[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300684 1049873104 /nfs/dbraw/zinc/87/31/04/1049873104.db2.gz ZYONFGRRICJDMZ-OZOXKJRCSA-N 2 1 327.516 4.250 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172294209 1049881827 /nfs/dbraw/zinc/88/18/27/1049881827.db2.gz GOFRHEKETQXTQY-SELNLUPBSA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172294209 1049881828 /nfs/dbraw/zinc/88/18/28/1049881828.db2.gz GOFRHEKETQXTQY-SELNLUPBSA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172294203 1049881846 /nfs/dbraw/zinc/88/18/46/1049881846.db2.gz GOFRHEKETQXTQY-MSYCTHLASA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001172294203 1049881847 /nfs/dbraw/zinc/88/18/47/1049881847.db2.gz GOFRHEKETQXTQY-MSYCTHLASA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001172491860 1049922020 /nfs/dbraw/zinc/92/20/20/1049922020.db2.gz KEGIOHABIQSAFK-AWEZNQCLSA-N 2 1 339.405 4.038 20 30 EIEDMP CC(C)(CCC#N)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246437892 1049973219 /nfs/dbraw/zinc/97/32/19/1049973219.db2.gz NFECZAHYKNSFAD-SFTDATJTSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246437892 1049973226 /nfs/dbraw/zinc/97/32/26/1049973226.db2.gz NFECZAHYKNSFAD-SFTDATJTSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246437892 1049973234 /nfs/dbraw/zinc/97/32/34/1049973234.db2.gz NFECZAHYKNSFAD-SFTDATJTSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248119511 1050042852 /nfs/dbraw/zinc/04/28/52/1050042852.db2.gz NESRLWZXTQCZKB-LEWJYISDSA-N 2 1 339.527 4.303 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618805549 1050534070 /nfs/dbraw/zinc/53/40/70/1050534070.db2.gz HMUKLJUUKORBQZ-FHZYATBESA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000618805549 1050534086 /nfs/dbraw/zinc/53/40/86/1050534086.db2.gz HMUKLJUUKORBQZ-FHZYATBESA-N 2 1 345.490 4.188 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000153047377 1050943385 /nfs/dbraw/zinc/94/33/85/1050943385.db2.gz XJOYTHBYOGVFTF-KRWDZBQOSA-N 2 1 346.515 4.175 20 30 EIEDMP C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523525 1051700801 /nfs/dbraw/zinc/70/08/01/1051700801.db2.gz JQOAHLDIQRPWRA-PMOQBDJRSA-N 2 1 332.491 4.251 20 30 EIEDMP C#CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523527 1051702064 /nfs/dbraw/zinc/70/20/64/1051702064.db2.gz JQOAHLDIQRPWRA-VJBMBRPKSA-N 2 1 332.491 4.251 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776734719 1053809895 /nfs/dbraw/zinc/80/98/95/1053809895.db2.gz LRPQAZNEMLIBDD-MRXNPFEDSA-N 2 1 343.490 4.393 20 30 EIEDMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)CC1 ZINC001196942974 1053809988 /nfs/dbraw/zinc/80/99/88/1053809988.db2.gz JGNYAPRRDCJHHY-FQEVSTJZSA-N 2 1 331.548 4.437 20 30 EIEDMP CCCCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201815194 1054915590 /nfs/dbraw/zinc/91/55/90/1054915590.db2.gz YRTYGQSEQJHWFY-SFHVURJKSA-N 2 1 334.552 4.460 20 30 EIEDMP CCCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001201815194 1054915603 /nfs/dbraw/zinc/91/56/03/1054915603.db2.gz YRTYGQSEQJHWFY-SFHVURJKSA-N 2 1 334.552 4.460 20 30 EIEDMP CCCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201815194 1054915623 /nfs/dbraw/zinc/91/56/23/1054915623.db2.gz YRTYGQSEQJHWFY-SFHVURJKSA-N 2 1 334.552 4.460 20 30 EIEDMP CCCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201815194 1054915630 /nfs/dbraw/zinc/91/56/30/1054915630.db2.gz YRTYGQSEQJHWFY-SFHVURJKSA-N 2 1 334.552 4.460 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000532165927 1032070894 /nfs/dbraw/zinc/07/08/94/1032070894.db2.gz OTEXVLWWJGKIHK-SFHVURJKSA-N 2 1 325.500 4.035 20 30 EIEDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000578181362 1019561746 /nfs/dbraw/zinc/56/17/46/1019561746.db2.gz AWFSMGDIIFCVNF-UHFFFAOYSA-N 2 1 341.421 4.176 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)C1 ZINC000176947707 1020938882 /nfs/dbraw/zinc/93/88/82/1020938882.db2.gz HGJNZBXPGDLDMO-INIZCTEOSA-N 2 1 339.508 4.141 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685654 1021440363 /nfs/dbraw/zinc/44/03/63/1021440363.db2.gz NQPRWMMIBSUJFS-MRXNPFEDSA-N 2 1 339.508 4.141 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1F ZINC000181574057 1022392041 /nfs/dbraw/zinc/39/20/41/1022392041.db2.gz CEQQDVVEATWORO-CQSZACIVSA-N 2 1 334.398 4.042 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000431338510 1026023682 /nfs/dbraw/zinc/02/36/82/1026023682.db2.gz TZCHLMQGBISTHM-NRFANRHFSA-N 2 1 340.511 4.019 20 30 EIEDMP CC[N@@H+](CCC1CCN(Cc2cccc(F)c2C#N)CC1)CC1CC1 ZINC000428308569 1027963634 /nfs/dbraw/zinc/96/36/34/1027963634.db2.gz IGZOUBJJNZGXLX-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP CC[N@H+](CCC1CC[NH+](Cc2cccc(F)c2C#N)CC1)CC1CC1 ZINC000428308569 1027963646 /nfs/dbraw/zinc/96/36/46/1027963646.db2.gz IGZOUBJJNZGXLX-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(F)c2C#N)CC1)CC1CC1 ZINC000428308569 1027963665 /nfs/dbraw/zinc/96/36/65/1027963665.db2.gz IGZOUBJJNZGXLX-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP CC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000346129724 1028269851 /nfs/dbraw/zinc/26/98/51/1028269851.db2.gz GWTHUSRFIHEKAF-OAHLLOKOSA-N 2 1 336.464 4.389 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063949 1029621988 /nfs/dbraw/zinc/62/19/88/1029621988.db2.gz OPYIDOYNYBYBID-JTJHWIPRSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063949 1029621995 /nfs/dbraw/zinc/62/19/95/1029621995.db2.gz OPYIDOYNYBYBID-JTJHWIPRSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063949 1029622004 /nfs/dbraw/zinc/62/20/04/1029622004.db2.gz OPYIDOYNYBYBID-JTJHWIPRSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063949 1029622010 /nfs/dbraw/zinc/62/20/10/1029622010.db2.gz OPYIDOYNYBYBID-JTJHWIPRSA-N 2 1 325.500 4.054 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000183687460 1030017596 /nfs/dbraw/zinc/01/75/96/1030017596.db2.gz SMQTVZNHNFNVIS-MRXNPFEDSA-N 2 1 333.410 4.022 20 30 EIEDMP C=C(C)CN1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449127096 1031464458 /nfs/dbraw/zinc/46/44/58/1031464458.db2.gz WDIRIUYGPHUFHM-UHFFFAOYSA-N 2 1 349.607 4.296 20 30 EIEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449148565 1031480856 /nfs/dbraw/zinc/48/08/56/1031480856.db2.gz KQHHHQCGPCAYRJ-OCDPCBSRSA-N 2 1 325.500 4.274 20 30 EIEDMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000449161091 1031500819 /nfs/dbraw/zinc/50/08/19/1031500819.db2.gz NSKOCFKNOVMGHE-JCJXWUGKSA-N 2 1 331.529 4.193 20 30 EIEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000449161091 1031500829 /nfs/dbraw/zinc/50/08/29/1031500829.db2.gz NSKOCFKNOVMGHE-JCJXWUGKSA-N 2 1 331.529 4.193 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453236517 1031756205 /nfs/dbraw/zinc/75/62/05/1031756205.db2.gz UQOZUYLEHKEFID-NJYVYQBISA-N 2 1 339.527 4.349 20 30 EIEDMP Cc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402557 1034551217 /nfs/dbraw/zinc/55/12/17/1034551217.db2.gz JEKWDPQLTAMVDT-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402557 1034551234 /nfs/dbraw/zinc/55/12/34/1034551234.db2.gz JEKWDPQLTAMVDT-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402557 1034551244 /nfs/dbraw/zinc/55/12/44/1034551244.db2.gz JEKWDPQLTAMVDT-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402557 1034551255 /nfs/dbraw/zinc/55/12/55/1034551255.db2.gz JEKWDPQLTAMVDT-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402557 1034551261 /nfs/dbraw/zinc/55/12/61/1034551261.db2.gz JEKWDPQLTAMVDT-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402557 1034551269 /nfs/dbraw/zinc/55/12/69/1034551269.db2.gz JEKWDPQLTAMVDT-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000595091241 1035597913 /nfs/dbraw/zinc/59/79/13/1035597913.db2.gz OMZPGGMSSAGYGP-UHFFFAOYSA-N 2 1 339.527 4.493 20 30 EIEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094385 1035820941 /nfs/dbraw/zinc/82/09/41/1035820941.db2.gz LVBOIWBBOGGPHD-KNQAVFIVSA-N 2 1 337.511 4.037 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000589300651 1036721481 /nfs/dbraw/zinc/72/14/81/1036721481.db2.gz WCSIRDVCNIAGQQ-YSZBQJHXSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589300651 1036721501 /nfs/dbraw/zinc/72/15/01/1036721501.db2.gz WCSIRDVCNIAGQQ-YSZBQJHXSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589300651 1036721522 /nfs/dbraw/zinc/72/15/22/1036721522.db2.gz WCSIRDVCNIAGQQ-YSZBQJHXSA-N 2 1 345.490 4.073 20 30 EIEDMP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1Cl ZINC000589636634 1036855424 /nfs/dbraw/zinc/85/54/24/1036855424.db2.gz LFTVROPSJSUVGT-UHFFFAOYSA-N 2 1 336.907 4.116 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000589647721 1036860662 /nfs/dbraw/zinc/86/06/62/1036860662.db2.gz LIALUJRRCRBDJB-UHFFFAOYSA-N 2 1 334.891 4.011 20 30 EIEDMP CC[N@H+](Cc1ccc(C#N)c(C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488414702 1037583612 /nfs/dbraw/zinc/58/36/12/1037583612.db2.gz OEUXXYSYSBAWKA-QFIPXVFZSA-N 2 1 347.506 4.211 20 30 EIEDMP CC[NH+](Cc1ccc(C#N)c(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488414702 1037583628 /nfs/dbraw/zinc/58/36/28/1037583628.db2.gz OEUXXYSYSBAWKA-QFIPXVFZSA-N 2 1 347.506 4.211 20 30 EIEDMP CC[NH+](Cc1ccc(C#N)c(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488414702 1037583635 /nfs/dbraw/zinc/58/36/35/1037583635.db2.gz OEUXXYSYSBAWKA-QFIPXVFZSA-N 2 1 347.506 4.211 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363605 1037912451 /nfs/dbraw/zinc/91/24/51/1037912451.db2.gz FZNQCAOZNJBXHH-AVRDEDQJSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363605 1037912474 /nfs/dbraw/zinc/91/24/74/1037912474.db2.gz FZNQCAOZNJBXHH-AVRDEDQJSA-N 2 1 345.490 4.406 20 30 EIEDMP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000594522224 1038363678 /nfs/dbraw/zinc/36/36/78/1038363678.db2.gz KAXUWVWFRZCXCL-OAQYLSRUSA-N 2 1 347.506 4.099 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(C)C ZINC000539098893 1038837222 /nfs/dbraw/zinc/83/72/22/1038837222.db2.gz NZAPGFWHPCYZJV-UHFFFAOYSA-N 2 1 327.516 4.138 20 30 EIEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000476986033 1040096937 /nfs/dbraw/zinc/09/69/37/1040096937.db2.gz QJNXHVUDRBRMIZ-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000476986033 1040096954 /nfs/dbraw/zinc/09/69/54/1040096954.db2.gz QJNXHVUDRBRMIZ-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012995 1043470657 /nfs/dbraw/zinc/47/06/57/1043470657.db2.gz GRTHPYSPQZSCGR-BBIADKPPSA-N 2 1 347.506 4.132 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474063362 1044331354 /nfs/dbraw/zinc/33/13/54/1044331354.db2.gz ZOZDFDLQWRTINW-FQEVSTJZSA-N 2 1 328.500 4.048 20 30 EIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248836421 1045885938 /nfs/dbraw/zinc/88/59/38/1045885938.db2.gz NCPBBGGHVYUNMP-XLIONFOSSA-N 2 1 337.467 4.084 20 30 EIEDMP CCC(CC)[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300683 1049873072 /nfs/dbraw/zinc/87/30/72/1049873072.db2.gz ZYONFGRRICJDMZ-LRQRDZAKSA-N 2 1 327.516 4.250 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172294206 1049882004 /nfs/dbraw/zinc/88/20/04/1049882004.db2.gz GOFRHEKETQXTQY-PWHSHALESA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001172294206 1049882009 /nfs/dbraw/zinc/88/20/09/1049882009.db2.gz GOFRHEKETQXTQY-PWHSHALESA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369508 1049897101 /nfs/dbraw/zinc/89/71/01/1049897101.db2.gz RRLYXQMCIILEIK-QFOSDGOKSA-N 2 1 339.527 4.455 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001172491861 1049921426 /nfs/dbraw/zinc/92/14/26/1049921426.db2.gz KEGIOHABIQSAFK-CQSZACIVSA-N 2 1 339.405 4.038 20 30 EIEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001173312930 1050406295 /nfs/dbraw/zinc/40/62/95/1050406295.db2.gz NIDRMLFTTIWVGD-PMJAUZGISA-N 2 1 342.527 4.143 20 30 EIEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001173312930 1050406307 /nfs/dbraw/zinc/40/63/07/1050406307.db2.gz NIDRMLFTTIWVGD-PMJAUZGISA-N 2 1 342.527 4.143 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805449 1050533696 /nfs/dbraw/zinc/53/36/96/1050533696.db2.gz OGZMQAOTVJDYGA-OYHNWAKOSA-N 2 1 342.446 4.391 20 30 EIEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619465921 1050789738 /nfs/dbraw/zinc/78/97/38/1050789738.db2.gz HYVYPFDOSLLCMZ-NZQKXSOJSA-N 2 1 345.490 4.047 20 30 EIEDMP CCCCCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201815145 1054915019 /nfs/dbraw/zinc/91/50/19/1054915019.db2.gz XMFUWCUJVKOSHF-RTWAWAEBSA-N 2 1 336.564 4.027 20 30 EIEDMP CCCCCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201815145 1054915038 /nfs/dbraw/zinc/91/50/38/1054915038.db2.gz XMFUWCUJVKOSHF-RTWAWAEBSA-N 2 1 336.564 4.027 20 30 EIEDMP CCCCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201815145 1054915052 /nfs/dbraw/zinc/91/50/52/1054915052.db2.gz XMFUWCUJVKOSHF-RTWAWAEBSA-N 2 1 336.564 4.027 20 30 EIEDMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000580004405 1021095334 /nfs/dbraw/zinc/09/53/34/1021095334.db2.gz PDDXSHCCEPLPAG-PELRDEGISA-N 2 1 327.516 4.101 20 30 EIEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000580004405 1021095344 /nfs/dbraw/zinc/09/53/44/1021095344.db2.gz PDDXSHCCEPLPAG-PELRDEGISA-N 2 1 327.516 4.101 20 30 EIEDMP CC(C)(C#N)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282359865 1021943648 /nfs/dbraw/zinc/94/36/48/1021943648.db2.gz BGIMQNOAYHQOFP-IBGZPJMESA-N 2 1 327.516 4.207 20 30 EIEDMP CC(C)(C#N)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282359865 1021943675 /nfs/dbraw/zinc/94/36/75/1021943675.db2.gz BGIMQNOAYHQOFP-IBGZPJMESA-N 2 1 327.516 4.207 20 30 EIEDMP CC(C)(C#N)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282359870 1021945074 /nfs/dbraw/zinc/94/50/74/1021945074.db2.gz BGIMQNOAYHQOFP-LJQANCHMSA-N 2 1 327.516 4.207 20 30 EIEDMP CC(C)(C#N)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282359870 1021945079 /nfs/dbraw/zinc/94/50/79/1021945079.db2.gz BGIMQNOAYHQOFP-LJQANCHMSA-N 2 1 327.516 4.207 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000580477069 1022071627 /nfs/dbraw/zinc/07/16/27/1022071627.db2.gz VOEWKEMKQWJIPC-NTCAYCPXSA-N 2 1 338.417 4.349 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000180182690 1022141711 /nfs/dbraw/zinc/14/17/11/1022141711.db2.gz BHMAKDSCGXGKJY-MRXNPFEDSA-N 2 1 331.529 4.096 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611590727 1026507113 /nfs/dbraw/zinc/50/71/13/1026507113.db2.gz BTMOUPTVOSIOHV-XWFZLUIHSA-N 2 1 337.511 4.178 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512245169 1026572763 /nfs/dbraw/zinc/57/27/63/1026572763.db2.gz QAGZEZASGDWXTN-CVDCTZTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512245169 1026572770 /nfs/dbraw/zinc/57/27/70/1026572770.db2.gz QAGZEZASGDWXTN-CVDCTZTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512245169 1026572784 /nfs/dbraw/zinc/57/27/84/1026572784.db2.gz QAGZEZASGDWXTN-CVDCTZTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512245169 1026572792 /nfs/dbraw/zinc/57/27/92/1026572792.db2.gz QAGZEZASGDWXTN-CVDCTZTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H]1CC([NH2+]Cc2cc(C#N)cs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039301 1027314160 /nfs/dbraw/zinc/31/41/60/1027314160.db2.gz CURXZBNPGLHZKU-HZPDHXFCSA-N 2 1 339.508 4.151 20 30 EIEDMP C[C@@H]1CC([N@@H+]2CCC[C@H](C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063950 1029621755 /nfs/dbraw/zinc/62/17/55/1029621755.db2.gz OPYIDOYNYBYBID-QRVBRYPASA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1CC([N@H+]2CCC[C@H](C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063950 1029621762 /nfs/dbraw/zinc/62/17/62/1029621762.db2.gz OPYIDOYNYBYBID-QRVBRYPASA-N 2 1 325.500 4.054 20 30 EIEDMP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750082 1029806292 /nfs/dbraw/zinc/80/62/92/1029806292.db2.gz NTXDIIMMLJTUSV-PBEJRMEISA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584439176 1029871130 /nfs/dbraw/zinc/87/11/30/1029871130.db2.gz JBGAUNLFMYEDGS-LEOXJPRUSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584439176 1029871132 /nfs/dbraw/zinc/87/11/32/1029871132.db2.gz JBGAUNLFMYEDGS-LEOXJPRUSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584439176 1029871133 /nfs/dbraw/zinc/87/11/33/1029871133.db2.gz JBGAUNLFMYEDGS-LEOXJPRUSA-N 2 1 345.490 4.073 20 30 EIEDMP N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000530865502 1030768395 /nfs/dbraw/zinc/76/83/95/1030768395.db2.gz ZAGZNOALWWBMCB-HSZRJFAPSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000530865502 1030768413 /nfs/dbraw/zinc/76/84/13/1030768413.db2.gz ZAGZNOALWWBMCB-HSZRJFAPSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000530865502 1030768429 /nfs/dbraw/zinc/76/84/29/1030768429.db2.gz ZAGZNOALWWBMCB-HSZRJFAPSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000530865502 1030768442 /nfs/dbraw/zinc/76/84/42/1030768442.db2.gz ZAGZNOALWWBMCB-HSZRJFAPSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000513511361 1034989914 /nfs/dbraw/zinc/98/99/14/1034989914.db2.gz IUDVKIAOEOCRGQ-SJLPKXTDSA-N 2 1 339.508 4.010 20 30 EIEDMP C=CCCSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000595060164 1035539551 /nfs/dbraw/zinc/53/95/51/1035539551.db2.gz SZDMKMRSWZEFPG-ACDBMABISA-N 2 1 330.541 4.081 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(C#N)CC3)cc2)C1 ZINC000602513904 1036490704 /nfs/dbraw/zinc/49/07/04/1036490704.db2.gz GKEOLYBNGNGZBF-XPQZIERPSA-N 2 1 325.500 4.090 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249410886 1037895794 /nfs/dbraw/zinc/89/57/94/1037895794.db2.gz XWVKRELKYONVKC-WSTZPKSXSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249410886 1037895798 /nfs/dbraw/zinc/89/57/98/1037895798.db2.gz XWVKRELKYONVKC-WSTZPKSXSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249410886 1037895801 /nfs/dbraw/zinc/89/58/01/1037895801.db2.gz XWVKRELKYONVKC-WSTZPKSXSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249410886 1037895804 /nfs/dbraw/zinc/89/58/04/1037895804.db2.gz XWVKRELKYONVKC-WSTZPKSXSA-N 2 1 325.500 4.206 20 30 EIEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000554994421 1038817589 /nfs/dbraw/zinc/81/75/89/1038817589.db2.gz PDDXSHCCEPLPAG-KMFTYDHNSA-N 2 1 327.516 4.101 20 30 EIEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000554994421 1038817592 /nfs/dbraw/zinc/81/75/92/1038817592.db2.gz PDDXSHCCEPLPAG-KMFTYDHNSA-N 2 1 327.516 4.101 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1)CC1CC1 ZINC000537754891 1040808902 /nfs/dbraw/zinc/80/89/02/1040808902.db2.gz DADOTAHZPHBNLA-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1Cl ZINC000539817151 1040812238 /nfs/dbraw/zinc/81/22/38/1040812238.db2.gz BERGQBFFBRBOIN-DOTOQJQBSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1Cl ZINC000539817151 1040812242 /nfs/dbraw/zinc/81/22/42/1040812242.db2.gz BERGQBFFBRBOIN-DOTOQJQBSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1Cl ZINC000539817151 1040812248 /nfs/dbraw/zinc/81/22/48/1040812248.db2.gz BERGQBFFBRBOIN-DOTOQJQBSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1Cl ZINC000539817151 1040812254 /nfs/dbraw/zinc/81/22/54/1040812254.db2.gz BERGQBFFBRBOIN-DOTOQJQBSA-N 2 1 336.907 4.209 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436238718 1040988163 /nfs/dbraw/zinc/98/81/63/1040988163.db2.gz GKTXPQSKFKYYDU-UHFFFAOYSA-N 2 1 346.824 4.489 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000554854437 1041455762 /nfs/dbraw/zinc/45/57/62/1041455762.db2.gz PFZQMOWUOPNDAZ-AWEZNQCLSA-N 2 1 326.406 4.049 20 30 EIEDMP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516690451 1041709879 /nfs/dbraw/zinc/70/98/79/1041709879.db2.gz PJPJWWRSQMRYHQ-HYVJGQCMSA-N 2 1 345.490 4.046 20 30 EIEDMP CCCC[C@@H](CC)C[N@@H+]1CCO[C@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001280183635 1041777739 /nfs/dbraw/zinc/77/77/39/1041777739.db2.gz ADTBZSDUBKGULW-RTWAWAEBSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@@H](CC)C[N@H+]1CCO[C@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001280183635 1041777742 /nfs/dbraw/zinc/77/77/42/1041777742.db2.gz ADTBZSDUBKGULW-RTWAWAEBSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@@H](CC)C[NH+]1CCO[C@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001280183635 1041777746 /nfs/dbraw/zinc/77/77/46/1041777746.db2.gz ADTBZSDUBKGULW-RTWAWAEBSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@@H](CC)C[NH+]1CCO[C@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001280183635 1041777750 /nfs/dbraw/zinc/77/77/50/1041777750.db2.gz ADTBZSDUBKGULW-RTWAWAEBSA-N 2 1 349.563 4.063 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271906960 1042505019 /nfs/dbraw/zinc/50/50/19/1042505019.db2.gz CKNAKYIPJPOKNG-INIZCTEOSA-N 2 1 337.442 4.013 20 30 EIEDMP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1C#N ZINC000443996976 1042740797 /nfs/dbraw/zinc/74/07/97/1042740797.db2.gz PTENJQWDGVXKQD-GOSISDBHSA-N 2 1 333.479 4.182 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104128 1044220143 /nfs/dbraw/zinc/22/01/43/1044220143.db2.gz GTLPRCMKKQVHHK-QZTJIDSGSA-N 2 1 333.479 4.434 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118532756 1044679510 /nfs/dbraw/zinc/67/95/10/1044679510.db2.gz BXFICCDEXYYJSG-AZUAARDMSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118532756 1044679523 /nfs/dbraw/zinc/67/95/23/1044679523.db2.gz BXFICCDEXYYJSG-AZUAARDMSA-N 2 1 325.500 4.063 20 30 EIEDMP N#Cc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000388799906 1044750505 /nfs/dbraw/zinc/75/05/05/1044750505.db2.gz PCEIKFJMXVSUCK-UHFFFAOYSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272268134 1045014902 /nfs/dbraw/zinc/01/49/02/1045014902.db2.gz XXGGIPPHBXCPSE-SVMVAKDDSA-N 2 1 333.479 4.119 20 30 EIEDMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526253 1045320249 /nfs/dbraw/zinc/32/02/49/1045320249.db2.gz FVGFICUZCWZRQR-LUGPXAIHSA-N 2 1 345.490 4.404 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272704107 1045810941 /nfs/dbraw/zinc/81/09/41/1045810941.db2.gz TVEABYPYRCTFKZ-DAYGRLMNSA-N 2 1 329.463 4.001 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000154330320 1046821205 /nfs/dbraw/zinc/82/12/05/1046821205.db2.gz YVUUJOHROUJZFL-LLGFUMIMSA-N 2 1 325.500 4.252 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@H]21 ZINC000556884384 1048100359 /nfs/dbraw/zinc/10/03/59/1048100359.db2.gz CAIMAIVIPKIVBM-XPWALMASSA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001171182463 1048673819 /nfs/dbraw/zinc/67/38/19/1048673819.db2.gz VKCYDHILIPHQIP-MSYCTHLASA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001171182463 1048673823 /nfs/dbraw/zinc/67/38/23/1048673823.db2.gz VKCYDHILIPHQIP-MSYCTHLASA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001171182465 1048674194 /nfs/dbraw/zinc/67/41/94/1048674194.db2.gz VKCYDHILIPHQIP-SELNLUPBSA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001171182465 1048674200 /nfs/dbraw/zinc/67/42/00/1048674200.db2.gz VKCYDHILIPHQIP-SELNLUPBSA-N 2 1 347.506 4.132 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171197593 1048716123 /nfs/dbraw/zinc/71/61/23/1048716123.db2.gz ATFOHFUONSTSTI-SXSPYAJSSA-N 2 1 347.506 4.261 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001171202137 1048758704 /nfs/dbraw/zinc/75/87/04/1048758704.db2.gz WEKQDLPTSNYMBM-IBGZPJMESA-N 2 1 347.506 4.134 20 30 EIEDMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171972316 1049834376 /nfs/dbraw/zinc/83/43/76/1049834376.db2.gz PZBRXSCGTBUYJT-IHPCNDPISA-N 2 1 325.500 4.102 20 30 EIEDMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171972318 1049834778 /nfs/dbraw/zinc/83/47/78/1049834778.db2.gz PZBRXSCGTBUYJT-SXLOBPIMSA-N 2 1 325.500 4.102 20 30 EIEDMP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974120 1049835552 /nfs/dbraw/zinc/83/55/52/1049835552.db2.gz ANVLHEOKRAMRJL-JOCHJYFZSA-N 2 1 332.491 4.201 20 30 EIEDMP CC1(C#N)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076913 1049845230 /nfs/dbraw/zinc/84/52/30/1049845230.db2.gz BAGOYTPPDMFNDV-AERCQKQUSA-N 2 1 337.511 4.198 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300230 1049882746 /nfs/dbraw/zinc/88/27/46/1049882746.db2.gz UCIKELVLTWRVOT-SXSPYAJSSA-N 2 1 347.506 4.261 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172297924 1049882867 /nfs/dbraw/zinc/88/28/67/1049882867.db2.gz BSBJKYLFWCHNOC-XJABCFGWSA-N 2 1 339.527 4.394 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300231 1049883083 /nfs/dbraw/zinc/88/30/83/1049883083.db2.gz UCIKELVLTWRVOT-TZYHBYERSA-N 2 1 347.506 4.261 20 30 EIEDMP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618801692 1050519803 /nfs/dbraw/zinc/51/98/03/1050519803.db2.gz BRJLGPRUFGRRIB-LXBDKUERSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755883 1050885682 /nfs/dbraw/zinc/88/56/82/1050885682.db2.gz XLOWKFXNPPUHAU-MGPUTAFESA-N 2 1 345.918 4.344 20 30 EIEDMP C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277603859 1051796157 /nfs/dbraw/zinc/79/61/57/1051796157.db2.gz FHYKJCJEMGAXAJ-FQEVSTJZSA-N 2 1 327.516 4.160 20 30 EIEDMP C[NH+](CCCCC(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277603859 1051796167 /nfs/dbraw/zinc/79/61/67/1051796167.db2.gz FHYKJCJEMGAXAJ-FQEVSTJZSA-N 2 1 327.516 4.160 20 30 EIEDMP C[NH+](CCCCC(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277603859 1051796174 /nfs/dbraw/zinc/79/61/74/1051796174.db2.gz FHYKJCJEMGAXAJ-FQEVSTJZSA-N 2 1 327.516 4.160 20 30 EIEDMP CC(C)(C#N)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159114380 1051814585 /nfs/dbraw/zinc/81/45/85/1051814585.db2.gz NESRLWZXTQCZKB-NHCUHLMSSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159114380 1051814590 /nfs/dbraw/zinc/81/45/90/1051814590.db2.gz NESRLWZXTQCZKB-NHCUHLMSSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159114380 1051814591 /nfs/dbraw/zinc/81/45/91/1051814591.db2.gz NESRLWZXTQCZKB-NHCUHLMSSA-N 2 1 339.527 4.303 20 30 EIEDMP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000072898028 1052622066 /nfs/dbraw/zinc/62/20/66/1052622066.db2.gz WORQPIXFNQWBKR-VXKWHMMOSA-N 2 1 342.446 4.144 20 30 EIEDMP N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000072898028 1052622068 /nfs/dbraw/zinc/62/20/68/1052622068.db2.gz WORQPIXFNQWBKR-VXKWHMMOSA-N 2 1 342.446 4.144 20 30 EIEDMP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000764432801 1053099486 /nfs/dbraw/zinc/09/94/86/1053099486.db2.gz NLHLXPMEDBGHKD-IBGZPJMESA-N 2 1 348.490 4.014 20 30 EIEDMP CCCCCCC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001201776591 1054914630 /nfs/dbraw/zinc/91/46/30/1054914630.db2.gz GKKMKZHPPCRYIS-UHFFFAOYSA-N 2 1 329.532 4.340 20 30 EIEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246057 1020218606 /nfs/dbraw/zinc/21/86/06/1020218606.db2.gz XPHPLOIKXYBXNF-WZONZLPQSA-N 2 1 347.506 4.387 20 30 EIEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246057 1020218614 /nfs/dbraw/zinc/21/86/14/1020218614.db2.gz XPHPLOIKXYBXNF-WZONZLPQSA-N 2 1 347.506 4.387 20 30 EIEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246057 1020218622 /nfs/dbraw/zinc/21/86/22/1020218622.db2.gz XPHPLOIKXYBXNF-WZONZLPQSA-N 2 1 347.506 4.387 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000236681682 1020629025 /nfs/dbraw/zinc/62/90/25/1020629025.db2.gz CQKFOOIASDJXOY-UHFFFAOYSA-N 2 1 328.500 4.138 20 30 EIEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCC3(C#N)CCC3)C2)CC1 ZINC001167254980 1020681726 /nfs/dbraw/zinc/68/17/26/1020681726.db2.gz CHCODQKQQOALRM-HXUWFJFHSA-N 2 1 331.548 4.294 20 30 EIEDMP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C1 ZINC000651714101 1024247545 /nfs/dbraw/zinc/24/75/45/1024247545.db2.gz PNEIBZITPZDLLU-WMZOPIPTSA-N 2 1 347.572 4.252 20 30 EIEDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237907 1026390231 /nfs/dbraw/zinc/39/02/31/1026390231.db2.gz FJEQXORTBCZGMF-QHCPKHFHSA-N 2 1 345.490 4.143 20 30 EIEDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237907 1026390245 /nfs/dbraw/zinc/39/02/45/1026390245.db2.gz FJEQXORTBCZGMF-QHCPKHFHSA-N 2 1 345.490 4.143 20 30 EIEDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237907 1026390265 /nfs/dbraw/zinc/39/02/65/1026390265.db2.gz FJEQXORTBCZGMF-QHCPKHFHSA-N 2 1 345.490 4.143 20 30 EIEDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745622 1027223621 /nfs/dbraw/zinc/22/36/21/1027223621.db2.gz RRWSUBDIQYAGIS-JTSKRJEESA-N 2 1 333.479 4.360 20 30 EIEDMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750084 1029806642 /nfs/dbraw/zinc/80/66/42/1029806642.db2.gz NTXDIIMMLJTUSV-SCWSEQNSSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396076 1031047006 /nfs/dbraw/zinc/04/70/06/1031047006.db2.gz HHJCNYAXSVPKHY-SFHVURJKSA-N 2 1 348.494 4.253 20 30 EIEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449092249 1031452990 /nfs/dbraw/zinc/45/29/90/1031452990.db2.gz STZDMYMQTIFRBW-UHFFFAOYSA-N 2 1 325.500 4.022 20 30 EIEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130510 1036113360 /nfs/dbraw/zinc/11/33/60/1036113360.db2.gz RGMLRKLDYOEBCD-UHFFFAOYSA-N 2 1 347.506 4.325 20 30 EIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602550615 1036499478 /nfs/dbraw/zinc/49/94/78/1036499478.db2.gz KUCURERLZUQOSR-UHFFFAOYSA-N 2 1 337.467 4.084 20 30 EIEDMP C[C@@H]([NH2+]C1(C[NH2+]C2CCC(C#N)CC2)CCCC1)c1ccccc1 ZINC000602551071 1036501108 /nfs/dbraw/zinc/50/11/08/1036501108.db2.gz BTTLEFVAAXQNJG-PGYGNJIDSA-N 2 1 325.500 4.322 20 30 EIEDMP C=C(C)[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423051478 1037938285 /nfs/dbraw/zinc/93/82/85/1037938285.db2.gz NLWDOECAGIAEGD-YJYMSZOUSA-N 2 1 331.410 4.095 20 30 EIEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594501329 1038349157 /nfs/dbraw/zinc/34/91/57/1038349157.db2.gz ZEGBBCGTYMVFFC-UHFFFAOYSA-N 2 1 335.495 4.229 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000442674734 1039843672 /nfs/dbraw/zinc/84/36/72/1039843672.db2.gz XGSKOQVTYCZMCP-LJQANCHMSA-N 2 1 347.506 4.463 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000482634089 1040407490 /nfs/dbraw/zinc/40/74/90/1040407490.db2.gz INELBPVNJFNCCJ-GOSISDBHSA-N 2 1 349.316 4.067 20 30 EIEDMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593922 1041550666 /nfs/dbraw/zinc/55/06/66/1041550666.db2.gz WJYSGCPGBHGBNL-KCESLBEFSA-N 2 1 347.506 4.365 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccc(C#N)cc1 ZINC000541911742 1042167034 /nfs/dbraw/zinc/16/70/34/1042167034.db2.gz ALVBZDCOFZTJLZ-WWMYMODYSA-N 2 1 325.500 4.252 20 30 EIEDMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992890 1042724130 /nfs/dbraw/zinc/72/41/30/1042724130.db2.gz HUGSPQDLUCFTTE-ICSRJNTNSA-N 2 1 339.508 4.101 20 30 EIEDMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992890 1042724136 /nfs/dbraw/zinc/72/41/36/1042724136.db2.gz HUGSPQDLUCFTTE-ICSRJNTNSA-N 2 1 339.508 4.101 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000543206505 1044132023 /nfs/dbraw/zinc/13/20/23/1044132023.db2.gz USXAISVYJRFTGP-LJQANCHMSA-N 2 1 339.527 4.229 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881460 1044196844 /nfs/dbraw/zinc/19/68/44/1044196844.db2.gz KWAGRJQXPBTGID-QKYXUNIQSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881460 1044196863 /nfs/dbraw/zinc/19/68/63/1044196863.db2.gz KWAGRJQXPBTGID-QKYXUNIQSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268132 1045015969 /nfs/dbraw/zinc/01/59/69/1045015969.db2.gz XXGGIPPHBXCPSE-SPEDKVCISA-N 2 1 333.479 4.119 20 30 EIEDMP C=CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018917 1045202095 /nfs/dbraw/zinc/20/20/95/1045202095.db2.gz JRFOMBQIYAUZKB-COPCDDAFSA-N 2 1 335.495 4.342 20 30 EIEDMP C=CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018917 1045202105 /nfs/dbraw/zinc/20/21/05/1045202105.db2.gz JRFOMBQIYAUZKB-COPCDDAFSA-N 2 1 335.495 4.342 20 30 EIEDMP CCC[NH+](CCC)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359832 1046012804 /nfs/dbraw/zinc/01/28/04/1046012804.db2.gz IQNZHLRZCZTGMU-UHFFFAOYSA-N 2 1 327.516 4.102 20 30 EIEDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)C1 ZINC001170376162 1046034523 /nfs/dbraw/zinc/03/45/23/1046034523.db2.gz KMPSTSOXJKSDCK-DWOCFRCJSA-N 2 1 339.527 4.099 20 30 EIEDMP CC1(C)[C@@H]2C[C@@H]([N@@H+](Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170735941 1047914413 /nfs/dbraw/zinc/91/44/13/1047914413.db2.gz BJEXEARFSALKPV-RSMWHSHJSA-N 2 1 337.511 4.065 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171197595 1048717406 /nfs/dbraw/zinc/71/74/06/1048717406.db2.gz ATFOHFUONSTSTI-TZYHBYERSA-N 2 1 347.506 4.261 20 30 EIEDMP CCC(CC)[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198270 1048721010 /nfs/dbraw/zinc/72/10/10/1048721010.db2.gz JGCVCKPWSZFMHE-LRQRDZAKSA-N 2 1 327.516 4.250 20 30 EIEDMP C[C@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000810238666 1048721727 /nfs/dbraw/zinc/72/17/27/1048721727.db2.gz RYTLXPPTPRJXNB-XZOQPEGZSA-N 2 1 345.490 4.047 20 30 EIEDMP C[C@@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000810238664 1048722813 /nfs/dbraw/zinc/72/28/13/1048722813.db2.gz RYTLXPPTPRJXNB-GOTSBHOMSA-N 2 1 345.490 4.047 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199368 1048729475 /nfs/dbraw/zinc/72/94/75/1048729475.db2.gz YWUHSZHIYXWUDJ-NQSCKRDGSA-N 2 1 339.527 4.394 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000615798788 1049781123 /nfs/dbraw/zinc/78/11/23/1049781123.db2.gz YEVPXCCYEKNCIB-MOJGAOKDSA-N 2 1 347.506 4.113 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172510295 1049925296 /nfs/dbraw/zinc/92/52/96/1049925296.db2.gz ZHAJWRGSLQICLW-INIZCTEOSA-N 2 1 333.907 4.319 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172510295 1049925299 /nfs/dbraw/zinc/92/52/99/1049925299.db2.gz ZHAJWRGSLQICLW-INIZCTEOSA-N 2 1 333.907 4.319 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248933994 1050084867 /nfs/dbraw/zinc/08/48/67/1050084867.db2.gz YDDSBFUFQGFRSS-DBXWQHBBSA-N 2 1 325.500 4.090 20 30 EIEDMP CC[C@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173268730 1050389439 /nfs/dbraw/zinc/38/94/39/1050389439.db2.gz CFQCWGLJCNKHQJ-LRGNLBRXSA-N 2 1 325.500 4.209 20 30 EIEDMP CC[C@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271411 1050391714 /nfs/dbraw/zinc/39/17/14/1050391714.db2.gz QGDNXDUKCFUTQF-LRGNLBRXSA-N 2 1 325.500 4.209 20 30 EIEDMP C=CCOC1CCC([NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001173327633 1050419794 /nfs/dbraw/zinc/41/97/94/1050419794.db2.gz QEQKCPUGYRJBAD-UHFFFAOYSA-N 2 1 342.527 4.097 20 30 EIEDMP N#CCC1CCC([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173334340 1050425978 /nfs/dbraw/zinc/42/59/78/1050425978.db2.gz VLOGNBXFQDKTEP-YAEFEIELSA-N 2 1 343.490 4.370 20 30 EIEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001173319821 1050440558 /nfs/dbraw/zinc/44/05/58/1050440558.db2.gz XENBZQPSXUQCKH-QBKZBJQZSA-N 2 1 342.527 4.000 20 30 EIEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001173319821 1050440565 /nfs/dbraw/zinc/44/05/65/1050440565.db2.gz XENBZQPSXUQCKH-QBKZBJQZSA-N 2 1 342.527 4.000 20 30 EIEDMP CC1(C#N)CCC([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173593026 1050497676 /nfs/dbraw/zinc/49/76/76/1050497676.db2.gz GPWBLDXXWGXAET-UHFFFAOYSA-N 2 1 325.500 4.103 20 30 EIEDMP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618801690 1050520186 /nfs/dbraw/zinc/52/01/86/1050520186.db2.gz BRJLGPRUFGRRIB-HYVJGQCMSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619465920 1050790642 /nfs/dbraw/zinc/79/06/42/1050790642.db2.gz HYVYPFDOSLLCMZ-NFBKMPQASA-N 2 1 345.490 4.047 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC001181686428 1051268290 /nfs/dbraw/zinc/26/82/90/1051268290.db2.gz HAFMNSJQSACXQI-PGRDOPGGSA-N 2 1 342.527 4.384 20 30 EIEDMP C=CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194344 1051494760 /nfs/dbraw/zinc/49/47/60/1051494760.db2.gz XJQZDDHYOHQRBV-BXXSPATCSA-N 2 1 347.506 4.484 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174270749 1052564188 /nfs/dbraw/zinc/56/41/88/1052564188.db2.gz DJXVNBVHXCFNIY-SFHVURJKSA-N 2 1 327.516 4.481 20 30 EIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001168602706 1055104627 /nfs/dbraw/zinc/10/46/27/1055104627.db2.gz VXJWKIAZXFQBPA-ACRUOGEOSA-N 2 1 327.516 4.294 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067668338 524235172 /nfs/dbraw/zinc/23/51/72/524235172.db2.gz PCTVJXDVGGCXGM-GOSISDBHSA-N 2 1 333.479 4.080 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000613255163 1021834733 /nfs/dbraw/zinc/83/47/33/1021834733.db2.gz NUXQBEYDAFACJA-UIFIKXQLSA-N 2 1 325.500 4.233 20 30 EIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181762579 1024254575 /nfs/dbraw/zinc/25/45/75/1024254575.db2.gz BOGVICOLLYVZKM-ZWKOTPCHSA-N 2 1 333.479 4.434 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024371 1027859621 /nfs/dbraw/zinc/85/96/21/1027859621.db2.gz YNMJYMYCSKUQJC-QFIPXVFZSA-N 2 1 345.490 4.039 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024371 1027859628 /nfs/dbraw/zinc/85/96/28/1027859628.db2.gz YNMJYMYCSKUQJC-QFIPXVFZSA-N 2 1 345.490 4.039 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)cc1 ZINC000186323234 1029559735 /nfs/dbraw/zinc/55/97/35/1029559735.db2.gz HYAKVDVLDWLUAJ-INIZCTEOSA-N 2 1 330.435 4.212 20 30 EIEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000657880405 1030159270 /nfs/dbraw/zinc/15/92/70/1030159270.db2.gz XJZBULWIAXZPDD-PMACEKPBSA-N 2 1 345.531 4.228 20 30 EIEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449332160 1031628301 /nfs/dbraw/zinc/62/83/01/1031628301.db2.gz BXVGWEDTUWBAKS-HWELCPFYSA-N 2 1 339.527 4.351 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000491037747 1035781688 /nfs/dbraw/zinc/78/16/88/1035781688.db2.gz ONOKFKKPAGUTGU-HXUWFJFHSA-N 2 1 332.557 4.433 20 30 EIEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596979773 1036062436 /nfs/dbraw/zinc/06/24/36/1036062436.db2.gz OCNABNAMWTZQLH-UHFFFAOYSA-N 2 1 339.527 4.186 20 30 EIEDMP C[C@H]([NH2+]C1(C[NH2+]C2CCC(C#N)CC2)CCCC1)c1ccccc1 ZINC000602551076 1036501202 /nfs/dbraw/zinc/50/12/02/1036501202.db2.gz BTTLEFVAAXQNJG-ZJRDLVKKSA-N 2 1 325.500 4.322 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602661378 1036556633 /nfs/dbraw/zinc/55/66/33/1036556633.db2.gz DRWIDAICDSAQMJ-UYAOXDASSA-N 2 1 325.500 4.274 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602661378 1036556648 /nfs/dbraw/zinc/55/66/48/1036556648.db2.gz DRWIDAICDSAQMJ-UYAOXDASSA-N 2 1 325.500 4.274 20 30 EIEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161948 1036697017 /nfs/dbraw/zinc/69/70/17/1036697017.db2.gz JUHZTMMLWZIJNL-KRWDZBQOSA-N 2 1 333.545 4.140 20 30 EIEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161948 1036697028 /nfs/dbraw/zinc/69/70/28/1036697028.db2.gz JUHZTMMLWZIJNL-KRWDZBQOSA-N 2 1 333.545 4.140 20 30 EIEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161948 1036697037 /nfs/dbraw/zinc/69/70/37/1036697037.db2.gz JUHZTMMLWZIJNL-KRWDZBQOSA-N 2 1 333.545 4.140 20 30 EIEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161949 1036698182 /nfs/dbraw/zinc/69/81/82/1036698182.db2.gz JUHZTMMLWZIJNL-QGZVFWFLSA-N 2 1 333.545 4.140 20 30 EIEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161949 1036698191 /nfs/dbraw/zinc/69/81/91/1036698191.db2.gz JUHZTMMLWZIJNL-QGZVFWFLSA-N 2 1 333.545 4.140 20 30 EIEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161949 1036698208 /nfs/dbraw/zinc/69/82/08/1036698208.db2.gz JUHZTMMLWZIJNL-QGZVFWFLSA-N 2 1 333.545 4.140 20 30 EIEDMP Cc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191495 1037395936 /nfs/dbraw/zinc/39/59/36/1037395936.db2.gz AILLCUVFVKNKBD-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191495 1037395963 /nfs/dbraw/zinc/39/59/63/1037395963.db2.gz AILLCUVFVKNKBD-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191495 1037395979 /nfs/dbraw/zinc/39/59/79/1037395979.db2.gz AILLCUVFVKNKBD-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191495 1037396009 /nfs/dbraw/zinc/39/60/09/1037396009.db2.gz AILLCUVFVKNKBD-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191495 1037396018 /nfs/dbraw/zinc/39/60/18/1037396018.db2.gz AILLCUVFVKNKBD-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191495 1037396035 /nfs/dbraw/zinc/39/60/35/1037396035.db2.gz AILLCUVFVKNKBD-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191495 1037396057 /nfs/dbraw/zinc/39/60/57/1037396057.db2.gz AILLCUVFVKNKBD-WMZHIEFXSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488293720 1037491193 /nfs/dbraw/zinc/49/11/93/1037491193.db2.gz YQFZEXUKQVOMOZ-MOJGAOKDSA-N 2 1 347.506 4.113 20 30 EIEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550818669 1039372992 /nfs/dbraw/zinc/37/29/92/1039372992.db2.gz PNTUEPLNCYNSKY-UNMCSNQZSA-N 2 1 336.479 4.177 20 30 EIEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550818669 1039373002 /nfs/dbraw/zinc/37/30/02/1039373002.db2.gz PNTUEPLNCYNSKY-UNMCSNQZSA-N 2 1 336.479 4.177 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000476983660 1040096811 /nfs/dbraw/zinc/09/68/11/1040096811.db2.gz LXMYJMPWYCEYFR-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173398471 1042569523 /nfs/dbraw/zinc/56/95/23/1042569523.db2.gz IAQHZEGWVDGNHH-CQSZACIVSA-N 2 1 337.305 4.140 20 30 EIEDMP N#C[C@H]1CC[C@@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000442770648 1043837868 /nfs/dbraw/zinc/83/78/68/1043837868.db2.gz RWZULLWANBWTOY-XZOQPEGZSA-N 2 1 347.506 4.361 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1)CC1CC1 ZINC000442893337 1043885778 /nfs/dbraw/zinc/88/57/78/1043885778.db2.gz GGFCWHBGACPOJN-SFHVURJKSA-N 2 1 339.527 4.453 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000443014692 1043970821 /nfs/dbraw/zinc/97/08/21/1043970821.db2.gz PVDMIYQSYZUPTP-UHFFFAOYSA-N 2 1 326.406 4.144 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C1 ZINC000174269911 1044245730 /nfs/dbraw/zinc/24/57/30/1044245730.db2.gz QYRUVMKYESDUBI-GOSISDBHSA-N 2 1 327.516 4.338 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093844596 1044857620 /nfs/dbraw/zinc/85/76/20/1044857620.db2.gz CBQVUOGVTVXRKV-MRXNPFEDSA-N 2 1 331.529 4.096 20 30 EIEDMP C=CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000766018919 1045201766 /nfs/dbraw/zinc/20/17/66/1045201766.db2.gz JRFOMBQIYAUZKB-NYVOZVTQSA-N 2 1 335.495 4.342 20 30 EIEDMP C=CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000766018919 1045201774 /nfs/dbraw/zinc/20/17/74/1045201774.db2.gz JRFOMBQIYAUZKB-NYVOZVTQSA-N 2 1 335.495 4.342 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390639 1045297757 /nfs/dbraw/zinc/29/77/57/1045297757.db2.gz MJBZUZNGBVEZMU-UWJYYQICSA-N 2 1 325.500 4.180 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](CC(=C)C)CC2)cc1Cl ZINC000236690186 1045363217 /nfs/dbraw/zinc/36/32/17/1045363217.db2.gz JPOSZNYJLCDHSC-UHFFFAOYSA-N 2 1 334.891 4.035 20 30 EIEDMP C=CCOc1ccccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976639 1046579885 /nfs/dbraw/zinc/57/98/85/1046579885.db2.gz MFJIYEIXMFRGFB-UHFFFAOYSA-N 2 1 338.495 4.381 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000809622332 1048439453 /nfs/dbraw/zinc/43/94/53/1048439453.db2.gz YSBUFPJIAAVKAA-UHFFFAOYSA-N 2 1 344.458 4.183 20 30 EIEDMP C[C@@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000810238665 1048720885 /nfs/dbraw/zinc/72/08/85/1048720885.db2.gz RYTLXPPTPRJXNB-PKTZIBPZSA-N 2 1 345.490 4.047 20 30 EIEDMP C#Cc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cc1 ZINC001144574003 1048733449 /nfs/dbraw/zinc/73/34/49/1048733449.db2.gz XPISAAORTFJELY-HJOGWXRNSA-N 2 1 344.502 4.278 20 30 EIEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc1 ZINC001144574003 1048733469 /nfs/dbraw/zinc/73/34/69/1048733469.db2.gz XPISAAORTFJELY-HJOGWXRNSA-N 2 1 344.502 4.278 20 30 EIEDMP C#Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc1 ZINC001144574003 1048733484 /nfs/dbraw/zinc/73/34/84/1048733484.db2.gz XPISAAORTFJELY-HJOGWXRNSA-N 2 1 344.502 4.278 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001171220995 1048856670 /nfs/dbraw/zinc/85/66/70/1048856670.db2.gz GVXLUXWXRUFLFI-IBGZPJMESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001171220995 1048856673 /nfs/dbraw/zinc/85/66/73/1048856673.db2.gz GVXLUXWXRUFLFI-IBGZPJMESA-N 2 1 347.506 4.086 20 30 EIEDMP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065770 1049850903 /nfs/dbraw/zinc/85/09/03/1049850903.db2.gz QMSNOHOZIBLCJL-SFASTMRJSA-N 2 1 337.511 4.244 20 30 EIEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172510297 1049925962 /nfs/dbraw/zinc/92/59/62/1049925962.db2.gz ZHOAFLGYXCWQCB-CTNGQTDRSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172510297 1049925966 /nfs/dbraw/zinc/92/59/66/1049925966.db2.gz ZHOAFLGYXCWQCB-CTNGQTDRSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172510297 1049925970 /nfs/dbraw/zinc/92/59/70/1049925970.db2.gz ZHOAFLGYXCWQCB-CTNGQTDRSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248933996 1050085512 /nfs/dbraw/zinc/08/55/12/1050085512.db2.gz YDDSBFUFQGFRSS-LQWHRVPQSA-N 2 1 325.500 4.090 20 30 EIEDMP C=CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173312402 1050405724 /nfs/dbraw/zinc/40/57/24/1050405724.db2.gz YZHNZRYYQPMZLD-HWELCPFYSA-N 2 1 342.527 4.002 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001173327711 1050419638 /nfs/dbraw/zinc/41/96/38/1050419638.db2.gz HHNXGFPYLDMSLW-SDEKRAFDSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001173327711 1050419645 /nfs/dbraw/zinc/41/96/45/1050419645.db2.gz HHNXGFPYLDMSLW-SDEKRAFDSA-N 2 1 325.500 4.102 20 30 EIEDMP CC1(C#N)CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591229 1050495230 /nfs/dbraw/zinc/49/52/30/1050495230.db2.gz MWMJFKQCHRYNSI-GOHCJOFJSA-N 2 1 343.490 4.370 20 30 EIEDMP CC[N@@H+](CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC001179091683 1050628229 /nfs/dbraw/zinc/62/82/29/1050628229.db2.gz WPRGKDRHRCRGSV-UHFFFAOYSA-N 2 1 339.527 4.376 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000765755282 1053984829 /nfs/dbraw/zinc/98/48/29/1053984829.db2.gz RQOUQQARPFJWNB-HOCLYGCPSA-N 2 1 347.890 4.310 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000153709781 1056067439 /nfs/dbraw/zinc/06/74/39/1056067439.db2.gz YRNPCYXAKMBCSC-HZPDHXFCSA-N 2 1 330.435 4.464 20 30 EIEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246051 1020217719 /nfs/dbraw/zinc/21/77/19/1020217719.db2.gz XPHPLOIKXYBXNF-FDDCHVKYSA-N 2 1 347.506 4.387 20 30 EIEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246051 1020217729 /nfs/dbraw/zinc/21/77/29/1020217729.db2.gz XPHPLOIKXYBXNF-FDDCHVKYSA-N 2 1 347.506 4.387 20 30 EIEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246051 1020217736 /nfs/dbraw/zinc/21/77/36/1020217736.db2.gz XPHPLOIKXYBXNF-FDDCHVKYSA-N 2 1 347.506 4.387 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000613255159 1021834894 /nfs/dbraw/zinc/83/48/94/1021834894.db2.gz NUXQBEYDAFACJA-JRGCBEDISA-N 2 1 325.500 4.233 20 30 EIEDMP N#Cc1csc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000380153352 1022355019 /nfs/dbraw/zinc/35/50/19/1022355019.db2.gz SLOUPGMFNBYBDZ-GOSISDBHSA-N 2 1 339.508 4.012 20 30 EIEDMP N#Cc1csc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000380153352 1022355032 /nfs/dbraw/zinc/35/50/32/1022355032.db2.gz SLOUPGMFNBYBDZ-GOSISDBHSA-N 2 1 339.508 4.012 20 30 EIEDMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc(C#N)cc1 ZINC000377080649 1023365705 /nfs/dbraw/zinc/36/57/05/1023365705.db2.gz UXPWBSCXSZVQKL-HXUWFJFHSA-N 2 1 348.425 4.432 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178973 1023780857 /nfs/dbraw/zinc/78/08/57/1023780857.db2.gz YAYHZWGQIVREAZ-FGSXEWAUSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178973 1023780862 /nfs/dbraw/zinc/78/08/62/1023780862.db2.gz YAYHZWGQIVREAZ-FGSXEWAUSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593924 1026419685 /nfs/dbraw/zinc/41/96/85/1026419685.db2.gz WJYSGCPGBHGBNL-QPXQOZNCSA-N 2 1 347.506 4.365 20 30 EIEDMP CC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000346129722 1028268436 /nfs/dbraw/zinc/26/84/36/1028268436.db2.gz GWTHUSRFIHEKAF-HNNXBMFYSA-N 2 1 336.464 4.389 20 30 EIEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278950556 1029498639 /nfs/dbraw/zinc/49/86/39/1029498639.db2.gz YUXGFTHOEAKLJP-AZUAARDMSA-N 2 1 327.516 4.207 20 30 EIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278950556 1029498658 /nfs/dbraw/zinc/49/86/58/1029498658.db2.gz YUXGFTHOEAKLJP-AZUAARDMSA-N 2 1 327.516 4.207 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)C1 ZINC000449080618 1031436852 /nfs/dbraw/zinc/43/68/52/1031436852.db2.gz XRESEBZGFOIFLX-XTWGIRIWSA-N 2 1 339.527 4.481 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000531654918 1031448566 /nfs/dbraw/zinc/44/85/66/1031448566.db2.gz VGOBXVVUNJXTQM-GOSISDBHSA-N 2 1 325.500 4.035 20 30 EIEDMP C=CCC1(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCC1 ZINC000449607514 1031869890 /nfs/dbraw/zinc/86/98/90/1031869890.db2.gz XWPKEEOVGYCGHT-UHFFFAOYSA-N 2 1 333.545 4.136 20 30 EIEDMP C=CCC1(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCC1 ZINC000449607514 1031869896 /nfs/dbraw/zinc/86/98/96/1031869896.db2.gz XWPKEEOVGYCGHT-UHFFFAOYSA-N 2 1 333.545 4.136 20 30 EIEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614164705 1033548720 /nfs/dbraw/zinc/54/87/20/1033548720.db2.gz RSITWKHXRBEUEM-UHFFFAOYSA-N 2 1 327.516 4.040 20 30 EIEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421364659 1036310650 /nfs/dbraw/zinc/31/06/50/1036310650.db2.gz OZPJCDKZDIHWEV-INIZCTEOSA-N 2 1 337.442 4.013 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646854 1037129939 /nfs/dbraw/zinc/12/99/39/1037129939.db2.gz LWZIPIJRBLLTMB-RTBURBONSA-N 2 1 347.506 4.304 20 30 EIEDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363609 1037913754 /nfs/dbraw/zinc/91/37/54/1037913754.db2.gz FZNQCAOZNJBXHH-XMSQKQJNSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363609 1037913767 /nfs/dbraw/zinc/91/37/67/1037913767.db2.gz FZNQCAOZNJBXHH-XMSQKQJNSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000476974628 1040080412 /nfs/dbraw/zinc/08/04/12/1040080412.db2.gz POLDMICNGGEMJH-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000476974628 1040080427 /nfs/dbraw/zinc/08/04/27/1040080427.db2.gz POLDMICNGGEMJH-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249093034 1040212293 /nfs/dbraw/zinc/21/22/93/1040212293.db2.gz DTKLUOZOKIJGGP-QUCCMNQESA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249093034 1040212305 /nfs/dbraw/zinc/21/23/05/1040212305.db2.gz DTKLUOZOKIJGGP-QUCCMNQESA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3(c4cccc(C#N)c4)CC3)CC2)C1 ZINC000551811109 1040619827 /nfs/dbraw/zinc/61/98/27/1040619827.db2.gz FHFFYWDNACFWFJ-UWJYYQICSA-N 2 1 337.511 4.180 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516690452 1041709493 /nfs/dbraw/zinc/70/94/93/1041709493.db2.gz PJPJWWRSQMRYHQ-JWNTYJGQSA-N 2 1 345.490 4.046 20 30 EIEDMP CCCC[C@@H](CC)C[N@@H+]1CCO[C@@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001280183633 1041776328 /nfs/dbraw/zinc/77/63/28/1041776328.db2.gz ADTBZSDUBKGULW-NHCUHLMSSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@@H](CC)C[N@H+]1CCO[C@@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001280183633 1041776334 /nfs/dbraw/zinc/77/63/34/1041776334.db2.gz ADTBZSDUBKGULW-NHCUHLMSSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@@H](CC)C[NH+]1CCO[C@@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001280183633 1041776341 /nfs/dbraw/zinc/77/63/41/1041776341.db2.gz ADTBZSDUBKGULW-NHCUHLMSSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@@H](CC)C[NH+]1CCO[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001280183633 1041776349 /nfs/dbraw/zinc/77/63/49/1041776349.db2.gz ADTBZSDUBKGULW-NHCUHLMSSA-N 2 1 349.563 4.063 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000442674729 1043801571 /nfs/dbraw/zinc/80/15/71/1043801571.db2.gz XGSKOQVTYCZMCP-IBGZPJMESA-N 2 1 347.506 4.463 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246363833 1044299872 /nfs/dbraw/zinc/29/98/72/1044299872.db2.gz LOBXDCMLUVXNRD-QWFCFKBJSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246363833 1044299880 /nfs/dbraw/zinc/29/98/80/1044299880.db2.gz LOBXDCMLUVXNRD-QWFCFKBJSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246363833 1044299891 /nfs/dbraw/zinc/29/98/91/1044299891.db2.gz LOBXDCMLUVXNRD-QWFCFKBJSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246363833 1044299903 /nfs/dbraw/zinc/29/99/03/1044299903.db2.gz LOBXDCMLUVXNRD-QWFCFKBJSA-N 2 1 325.500 4.206 20 30 EIEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000393827643 1045134643 /nfs/dbraw/zinc/13/46/43/1045134643.db2.gz IHTMPGYYMYQMDD-GOSISDBHSA-N 2 1 339.508 4.012 20 30 EIEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000393827643 1045134649 /nfs/dbraw/zinc/13/46/49/1045134649.db2.gz IHTMPGYYMYQMDD-GOSISDBHSA-N 2 1 339.508 4.012 20 30 EIEDMP CC1(C)[C@@H]2C[C@H]([N@@H+](Cc3cccc(C#N)c3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170736449 1047924345 /nfs/dbraw/zinc/92/43/45/1047924345.db2.gz MOHLPNRUTJQJTF-YXOJAJARSA-N 2 1 337.511 4.065 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000809605927 1048412818 /nfs/dbraw/zinc/41/28/18/1048412818.db2.gz JTYMYBXWZRUAMX-IBGZPJMESA-N 2 1 332.491 4.190 20 30 EIEDMP CCC(CC)[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198272 1048722319 /nfs/dbraw/zinc/72/23/19/1048722319.db2.gz JGCVCKPWSZFMHE-OZOXKJRCSA-N 2 1 327.516 4.250 20 30 EIEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001144580711 1048729597 /nfs/dbraw/zinc/72/95/97/1048729597.db2.gz FXKJMWLYSRTPFZ-BJKOFHAPSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001144580711 1048729610 /nfs/dbraw/zinc/72/96/10/1048729610.db2.gz FXKJMWLYSRTPFZ-BJKOFHAPSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001144580711 1048729620 /nfs/dbraw/zinc/72/96/20/1048729620.db2.gz FXKJMWLYSRTPFZ-BJKOFHAPSA-N 2 1 344.502 4.012 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172297922 1049883076 /nfs/dbraw/zinc/88/30/76/1049883076.db2.gz BSBJKYLFWCHNOC-NQSCKRDGSA-N 2 1 339.527 4.394 20 30 EIEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001172494400 1049921558 /nfs/dbraw/zinc/92/15/58/1049921558.db2.gz GPDAYEZDDAKJIA-PIKOESSRSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001172494400 1049921565 /nfs/dbraw/zinc/92/15/65/1049921565.db2.gz GPDAYEZDDAKJIA-PIKOESSRSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001172494400 1049921570 /nfs/dbraw/zinc/92/15/70/1049921570.db2.gz GPDAYEZDDAKJIA-PIKOESSRSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172510298 1049925147 /nfs/dbraw/zinc/92/51/47/1049925147.db2.gz ZHOAFLGYXCWQCB-FPOVZHCZSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172510298 1049925153 /nfs/dbraw/zinc/92/51/53/1049925153.db2.gz ZHOAFLGYXCWQCB-FPOVZHCZSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172510298 1049925155 /nfs/dbraw/zinc/92/51/55/1049925155.db2.gz ZHOAFLGYXCWQCB-FPOVZHCZSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000248789108 1050077513 /nfs/dbraw/zinc/07/75/13/1050077513.db2.gz IOTXUULZYLNZMI-DUXKGJEZSA-N 2 1 325.500 4.090 20 30 EIEDMP CC(C)(CCC#N)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043831 1050310970 /nfs/dbraw/zinc/31/09/70/1050310970.db2.gz NFECZAHYKNSFAD-NHCUHLMSSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092043831 1050310982 /nfs/dbraw/zinc/31/09/82/1050310982.db2.gz NFECZAHYKNSFAD-NHCUHLMSSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092043831 1050310994 /nfs/dbraw/zinc/31/09/94/1050310994.db2.gz NFECZAHYKNSFAD-NHCUHLMSSA-N 2 1 339.527 4.303 20 30 EIEDMP C=CCOC1CCC([NH2+]C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173317096 1050438714 /nfs/dbraw/zinc/43/87/14/1050438714.db2.gz AOWXMUZWPPSPLE-UHFFFAOYSA-N 2 1 342.527 4.145 20 30 EIEDMP CC1(C#N)CCC([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591141 1050494906 /nfs/dbraw/zinc/49/49/06/1050494906.db2.gz KCNYVHCQCCYFBP-GOHCJOFJSA-N 2 1 325.500 4.231 20 30 EIEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000619754731 1050883015 /nfs/dbraw/zinc/88/30/15/1050883015.db2.gz JDNHOFXARJLOAZ-UHFFFAOYSA-N 2 1 331.891 4.098 20 30 EIEDMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755884 1050885382 /nfs/dbraw/zinc/88/53/82/1050885382.db2.gz XLOWKFXNPPUHAU-QRWLVFNGSA-N 2 1 345.918 4.344 20 30 EIEDMP C=C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193943417 1052044644 /nfs/dbraw/zinc/04/46/44/1052044644.db2.gz WUBTVIJGNLNYIK-JOCHJYFZSA-N 2 1 326.528 4.372 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000764963259 1053403204 /nfs/dbraw/zinc/40/32/04/1053403204.db2.gz BWNGECXTCOZNHQ-ZYSHUDEJSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000764963259 1053403213 /nfs/dbraw/zinc/40/32/13/1053403213.db2.gz BWNGECXTCOZNHQ-ZYSHUDEJSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000765144084 1053453786 /nfs/dbraw/zinc/45/37/86/1053453786.db2.gz RLVCCFANQFBLQJ-OAHLLOKOSA-N 2 1 333.863 4.064 20 30 EIEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000765755280 1053986941 /nfs/dbraw/zinc/98/69/41/1053986941.db2.gz RQOUQQARPFJWNB-GOEBONIOSA-N 2 1 347.890 4.310 20 30 EIEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000123925084 1054365113 /nfs/dbraw/zinc/36/51/13/1054365113.db2.gz SLMNCDZAJLITES-GOSISDBHSA-N 2 1 336.479 4.001 20 30 EIEDMP C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC001200941839 1054596358 /nfs/dbraw/zinc/59/63/58/1054596358.db2.gz KTBPMJIIKVVYIE-IBGZPJMESA-N 2 1 349.522 4.488 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)CC1 ZINC000106245273 1055668194 /nfs/dbraw/zinc/66/81/94/1055668194.db2.gz OVMZMJXCARGOCO-KRWDZBQOSA-N 2 1 346.515 4.003 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000153709621 1056066696 /nfs/dbraw/zinc/06/66/96/1056066696.db2.gz YRNPCYXAKMBCSC-CVEARBPZSA-N 2 1 330.435 4.464 20 30 EIEDMP N#Cc1csc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000380153366 1022737809 /nfs/dbraw/zinc/73/78/09/1022737809.db2.gz SLOUPGMFNBYBDZ-SFHVURJKSA-N 2 1 339.508 4.012 20 30 EIEDMP N#Cc1csc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000380153366 1022737817 /nfs/dbraw/zinc/73/78/17/1022737817.db2.gz SLOUPGMFNBYBDZ-SFHVURJKSA-N 2 1 339.508 4.012 20 30 EIEDMP N#Cc1csc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000380153366 1022737827 /nfs/dbraw/zinc/73/78/27/1022737827.db2.gz SLOUPGMFNBYBDZ-SFHVURJKSA-N 2 1 339.508 4.012 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962498 1022745557 /nfs/dbraw/zinc/74/55/57/1022745557.db2.gz BTYILOLPIVWLBN-RXVVDRJESA-N 2 1 333.479 4.121 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779948 1023311132 /nfs/dbraw/zinc/31/11/32/1023311132.db2.gz XYEGPCOCRAPGQP-AVRDEDQJSA-N 2 1 345.490 4.406 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1)CC1CC1 ZINC000544121288 1023352521 /nfs/dbraw/zinc/35/25/21/1023352521.db2.gz CWPYNYKTXSCHRT-UHFFFAOYSA-N 2 1 339.527 4.087 20 30 EIEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C1 ZINC000651714099 1024248954 /nfs/dbraw/zinc/24/89/54/1024248954.db2.gz PNEIBZITPZDLLU-FUHWJXTLSA-N 2 1 347.572 4.252 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510729554 1024352317 /nfs/dbraw/zinc/35/23/17/1024352317.db2.gz DNNMWZJBJDPESU-GOSISDBHSA-N 2 1 349.316 4.067 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000187662882 1024799563 /nfs/dbraw/zinc/79/95/63/1024799563.db2.gz DTKLUOZOKIJGGP-AZUAARDMSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000187662882 1024799595 /nfs/dbraw/zinc/79/95/95/1024799595.db2.gz DTKLUOZOKIJGGP-AZUAARDMSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512313366 1026683205 /nfs/dbraw/zinc/68/32/05/1026683205.db2.gz IPYIMLBUPBYWHI-VYDXJSESSA-N 2 1 329.463 4.001 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512313366 1026683211 /nfs/dbraw/zinc/68/32/11/1026683211.db2.gz IPYIMLBUPBYWHI-VYDXJSESSA-N 2 1 329.463 4.001 20 30 EIEDMP C[C@@H]1CC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065491 1029649406 /nfs/dbraw/zinc/64/94/06/1029649406.db2.gz WVKCOWHLGPHQAB-FLTCSQOGSA-N 2 1 337.511 4.195 20 30 EIEDMP C[C@@H]1CC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065491 1029649410 /nfs/dbraw/zinc/64/94/10/1029649410.db2.gz WVKCOWHLGPHQAB-FLTCSQOGSA-N 2 1 337.511 4.195 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000610829826 1031032702 /nfs/dbraw/zinc/03/27/02/1031032702.db2.gz NPLSZQASYSVBED-CBGDNZLLSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@H]1C[C@@H](CC[NH2+]C2CCC(C)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000449212735 1031541104 /nfs/dbraw/zinc/54/11/04/1031541104.db2.gz IYXPQGWFUFNMLH-GRTSPXDGSA-N 2 1 339.527 4.349 20 30 EIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453292661 1031809938 /nfs/dbraw/zinc/80/99/38/1031809938.db2.gz OGPIFXUJWUPIFG-GLOJMNGXSA-N 2 1 337.511 4.102 20 30 EIEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160940 1033533257 /nfs/dbraw/zinc/53/32/57/1033533257.db2.gz XSEJHNVXYHREQM-UHFFFAOYSA-N 2 1 341.543 4.432 20 30 EIEDMP Cc1cc(C#N)ccc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402556 1034549248 /nfs/dbraw/zinc/54/92/48/1034549248.db2.gz JEKWDPQLTAMVDT-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402556 1034549266 /nfs/dbraw/zinc/54/92/66/1034549266.db2.gz JEKWDPQLTAMVDT-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402556 1034549286 /nfs/dbraw/zinc/54/92/86/1034549286.db2.gz JEKWDPQLTAMVDT-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402556 1034549312 /nfs/dbraw/zinc/54/93/12/1034549312.db2.gz JEKWDPQLTAMVDT-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402556 1034549328 /nfs/dbraw/zinc/54/93/28/1034549328.db2.gz JEKWDPQLTAMVDT-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000614402556 1034549342 /nfs/dbraw/zinc/54/93/42/1034549342.db2.gz JEKWDPQLTAMVDT-CVDCTZTESA-N 2 1 347.506 4.352 20 30 EIEDMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000595342639 1035635214 /nfs/dbraw/zinc/63/52/14/1035635214.db2.gz FNQJRCJGPGMOJA-AUSIDOKSSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H]1C[C@H]([NH+](C)CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000595342639 1035635222 /nfs/dbraw/zinc/63/52/22/1035635222.db2.gz FNQJRCJGPGMOJA-AUSIDOKSSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000595342639 1035635234 /nfs/dbraw/zinc/63/52/34/1035635234.db2.gz FNQJRCJGPGMOJA-AUSIDOKSSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000595342639 1035635235 /nfs/dbraw/zinc/63/52/35/1035635235.db2.gz FNQJRCJGPGMOJA-AUSIDOKSSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H](CCC#N)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596592267 1035910725 /nfs/dbraw/zinc/91/07/25/1035910725.db2.gz LVELMNHANVKZRE-NQIIRXRSSA-N 2 1 339.527 4.301 20 30 EIEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602706540 1036580359 /nfs/dbraw/zinc/58/03/59/1036580359.db2.gz PYNBAQLWJLFQFJ-JTHBVZDNSA-N 2 1 345.490 4.058 20 30 EIEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602706540 1036580406 /nfs/dbraw/zinc/58/04/06/1036580406.db2.gz PYNBAQLWJLFQFJ-JTHBVZDNSA-N 2 1 345.490 4.058 20 30 EIEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000589336981 1036737805 /nfs/dbraw/zinc/73/78/05/1036737805.db2.gz PIBPUFATLGATBO-REWPJTCUSA-N 2 1 345.490 4.047 20 30 EIEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000476979111 1040078953 /nfs/dbraw/zinc/07/89/53/1040078953.db2.gz CTJRGXITBDTMNJ-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000476979111 1040078967 /nfs/dbraw/zinc/07/89/67/1040078967.db2.gz CTJRGXITBDTMNJ-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000463285028 1041475516 /nfs/dbraw/zinc/47/55/16/1041475516.db2.gz SKKVPNVUPRWQKG-WEMPKCCASA-N 2 1 339.527 4.336 20 30 EIEDMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443979341 1042715232 /nfs/dbraw/zinc/71/52/32/1042715232.db2.gz ANOUYSMEXGYIMO-GOSISDBHSA-N 2 1 347.506 4.388 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000154333416 1044772129 /nfs/dbraw/zinc/77/21/29/1044772129.db2.gz FONCZTOZRDXCHJ-HZPDHXFCSA-N 2 1 330.435 4.464 20 30 EIEDMP N#CC1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000282438746 1045242353 /nfs/dbraw/zinc/24/23/53/1045242353.db2.gz UIGVJSXXDQESJD-KXTCYSFASA-N 2 1 337.511 4.102 20 30 EIEDMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526255 1045320986 /nfs/dbraw/zinc/32/09/86/1045320986.db2.gz FVGFICUZCWZRQR-OCYFJXFZSA-N 2 1 345.490 4.404 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000153657778 1045431978 /nfs/dbraw/zinc/43/19/78/1045431978.db2.gz KTEFRQOGUDKTLD-HXUWFJFHSA-N 2 1 328.500 4.093 20 30 EIEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536708879 1046721886 /nfs/dbraw/zinc/72/18/86/1046721886.db2.gz ZMLIPLRKBGTSKT-UHFFFAOYSA-N 2 1 345.490 4.046 20 30 EIEDMP N#CCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074654 1049845071 /nfs/dbraw/zinc/84/50/71/1049845071.db2.gz JLBFWRCNZLBTHU-ZBYYUNFXSA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172083233 1049848044 /nfs/dbraw/zinc/84/80/44/1049848044.db2.gz OQNVBMSTGDSJTP-YVMUJHKSSA-N 2 1 349.522 4.339 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083233 1049848045 /nfs/dbraw/zinc/84/80/45/1049848045.db2.gz OQNVBMSTGDSJTP-YVMUJHKSSA-N 2 1 349.522 4.339 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083233 1049848051 /nfs/dbraw/zinc/84/80/51/1049848051.db2.gz OQNVBMSTGDSJTP-YVMUJHKSSA-N 2 1 349.522 4.339 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083233 1049848053 /nfs/dbraw/zinc/84/80/53/1049848053.db2.gz OQNVBMSTGDSJTP-YVMUJHKSSA-N 2 1 349.522 4.339 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083233 1049848055 /nfs/dbraw/zinc/84/80/55/1049848055.db2.gz OQNVBMSTGDSJTP-YVMUJHKSSA-N 2 1 349.522 4.339 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172064538 1049851125 /nfs/dbraw/zinc/85/11/25/1049851125.db2.gz GZRJWQRTBOLHRO-WBDAEOGXSA-N 2 1 345.490 4.234 20 30 EIEDMP C[C@@H](CCCC#N)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493866 1049921400 /nfs/dbraw/zinc/92/14/00/1049921400.db2.gz WDTOAHIKXJLJKP-SNRMKQJTSA-N 2 1 333.907 4.494 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001172496496 1049922150 /nfs/dbraw/zinc/92/21/50/1049922150.db2.gz NAVTXZMJALPLAJ-IEBWSBKVSA-N 2 1 329.488 4.038 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248859626 1050080597 /nfs/dbraw/zinc/08/05/97/1050080597.db2.gz PPRCWTFKJJPZNS-OPYAIIAOSA-N 2 1 325.500 4.233 20 30 EIEDMP CC1(C#N)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001173588475 1050495046 /nfs/dbraw/zinc/49/50/46/1050495046.db2.gz IJNJXDJOLYSFDF-YFZZKHBCSA-N 2 1 337.511 4.244 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618801691 1050519402 /nfs/dbraw/zinc/51/94/02/1050519402.db2.gz BRJLGPRUFGRRIB-JWNTYJGQSA-N 2 1 345.490 4.046 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153001006 1050926697 /nfs/dbraw/zinc/92/66/97/1050926697.db2.gz BBYSBTHLHKTFRY-LJQANCHMSA-N 2 1 331.460 4.066 20 30 EIEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001190406702 1051176728 /nfs/dbraw/zinc/17/67/28/1051176728.db2.gz JNUAGWHSITYHOC-UHFFFAOYSA-N 2 1 333.907 4.156 20 30 EIEDMP C#CC[C@@H]1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068933 1051904555 /nfs/dbraw/zinc/90/45/55/1051904555.db2.gz FLBQJGQXMCMCPF-ZJSXRUAMSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CC[C@@H]1CC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068933 1051904569 /nfs/dbraw/zinc/90/45/69/1051904569.db2.gz FLBQJGQXMCMCPF-ZJSXRUAMSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CC[C@@H]1CC[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068933 1051904581 /nfs/dbraw/zinc/90/45/81/1051904581.db2.gz FLBQJGQXMCMCPF-ZJSXRUAMSA-N 2 1 346.518 4.247 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000765289637 1053493957 /nfs/dbraw/zinc/49/39/57/1053493957.db2.gz CHWHZBRXXIXJIR-IRXDYDNUSA-N 2 1 336.907 4.200 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921528698 1053700128 /nfs/dbraw/zinc/70/01/28/1053700128.db2.gz HQBJFPHBIATCOC-INIZCTEOSA-N 2 1 339.508 4.284 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)C1 ZINC000921528789 1053700428 /nfs/dbraw/zinc/70/04/28/1053700428.db2.gz IXHARXQBHVNUNS-MRXNPFEDSA-N 2 1 339.508 4.141 20 30 EIEDMP C=CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1 ZINC000459386654 1032807408 /nfs/dbraw/zinc/80/74/08/1032807408.db2.gz LRRAXJPJPNXELD-KRWDZBQOSA-N 2 1 337.389 4.279 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C1 ZINC000177685235 1021439992 /nfs/dbraw/zinc/43/99/92/1021439992.db2.gz BGAREFYBNBSMHR-MRXNPFEDSA-N 2 1 339.508 4.141 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911112 1023414843 /nfs/dbraw/zinc/41/48/43/1023414843.db2.gz FDAGEZYTDIAHIR-FGSXEWAUSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911112 1023414851 /nfs/dbraw/zinc/41/48/51/1023414851.db2.gz FDAGEZYTDIAHIR-FGSXEWAUSA-N 2 1 333.479 4.262 20 30 EIEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870663 1023870481 /nfs/dbraw/zinc/87/04/81/1023870481.db2.gz CACCXRNOGYFKDT-KRWDZBQOSA-N 2 1 344.462 4.471 20 30 EIEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487364975 1024592079 /nfs/dbraw/zinc/59/20/79/1024592079.db2.gz HSCQLRCHWFCZSI-UHFFFAOYSA-N 2 1 341.543 4.432 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1cccc(C#N)c1 ZINC000610830128 1025053081 /nfs/dbraw/zinc/05/30/81/1025053081.db2.gz FVCYRMCAJDIJMM-XGHQBKJUSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278969937 1025874037 /nfs/dbraw/zinc/87/40/37/1025874037.db2.gz XSMMWKAJXIYLHC-INIZCTEOSA-N 2 1 334.467 4.032 20 30 EIEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971562 1026090108 /nfs/dbraw/zinc/09/01/08/1026090108.db2.gz YNTVUSALWAILRE-VOBGVNJCSA-N 2 1 340.511 4.307 20 30 EIEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971562 1026090135 /nfs/dbraw/zinc/09/01/35/1026090135.db2.gz YNTVUSALWAILRE-VOBGVNJCSA-N 2 1 340.511 4.307 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187724032 1026300384 /nfs/dbraw/zinc/30/03/84/1026300384.db2.gz CFYGOXWLAKNLBE-GOSISDBHSA-N 2 1 348.494 4.253 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244664 1026570537 /nfs/dbraw/zinc/57/05/37/1026570537.db2.gz OSYJFAOBMLPHBW-XXBNENTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244664 1026570541 /nfs/dbraw/zinc/57/05/41/1026570541.db2.gz OSYJFAOBMLPHBW-XXBNENTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244664 1026570547 /nfs/dbraw/zinc/57/05/47/1026570547.db2.gz OSYJFAOBMLPHBW-XXBNENTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244664 1026570551 /nfs/dbraw/zinc/57/05/51/1026570551.db2.gz OSYJFAOBMLPHBW-XXBNENTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630335 1026859013 /nfs/dbraw/zinc/85/90/13/1026859013.db2.gz PAWYSKYDHZMDAA-RVEPMOMFSA-N 2 1 339.527 4.101 20 30 EIEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630335 1026859019 /nfs/dbraw/zinc/85/90/19/1026859019.db2.gz PAWYSKYDHZMDAA-RVEPMOMFSA-N 2 1 339.527 4.101 20 30 EIEDMP C=C(C)COc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1OC ZINC000060927216 1026977275 /nfs/dbraw/zinc/97/72/75/1026977275.db2.gz JHISUTLWNXRXDS-SFHVURJKSA-N 2 1 346.515 4.004 20 30 EIEDMP C=C(C)COc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1OC ZINC000060927216 1026977286 /nfs/dbraw/zinc/97/72/86/1026977286.db2.gz JHISUTLWNXRXDS-SFHVURJKSA-N 2 1 346.515 4.004 20 30 EIEDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745624 1027221917 /nfs/dbraw/zinc/22/19/17/1027221917.db2.gz RRWSUBDIQYAGIS-VGSWGCGISA-N 2 1 333.479 4.360 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001167659895 1028260337 /nfs/dbraw/zinc/26/03/37/1028260337.db2.gz WOSVBGHPHIXOPA-LJQANCHMSA-N 2 1 339.527 4.343 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056987 1029324395 /nfs/dbraw/zinc/32/43/95/1029324395.db2.gz LDOKSQDJNWPEFT-BBIADKPPSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056987 1029324412 /nfs/dbraw/zinc/32/44/12/1029324412.db2.gz LDOKSQDJNWPEFT-BBIADKPPSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056987 1029324429 /nfs/dbraw/zinc/32/44/29/1029324429.db2.gz LDOKSQDJNWPEFT-BBIADKPPSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056987 1029324441 /nfs/dbraw/zinc/32/44/41/1029324441.db2.gz LDOKSQDJNWPEFT-BBIADKPPSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@H]1CC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065493 1029649657 /nfs/dbraw/zinc/64/96/57/1029649657.db2.gz WVKCOWHLGPHQAB-JZTRKIHISA-N 2 1 337.511 4.195 20 30 EIEDMP C[C@H]1CC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065493 1029649660 /nfs/dbraw/zinc/64/96/60/1029649660.db2.gz WVKCOWHLGPHQAB-JZTRKIHISA-N 2 1 337.511 4.195 20 30 EIEDMP C=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000447544153 1030147479 /nfs/dbraw/zinc/14/74/79/1030147479.db2.gz NVRYMVHNZXHPOQ-WBDAEOGXSA-N 2 1 332.491 4.485 20 30 EIEDMP CC1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168206467 1031272122 /nfs/dbraw/zinc/27/21/22/1031272122.db2.gz USKKUXUFZSEYNW-BXQDZUEOSA-N 2 1 325.500 4.209 20 30 EIEDMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449179796 1031519911 /nfs/dbraw/zinc/51/99/11/1031519911.db2.gz XEUBRDNIDWPBBM-RCKXYERXSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000449179796 1031519922 /nfs/dbraw/zinc/51/99/22/1031519922.db2.gz XEUBRDNIDWPBBM-RCKXYERXSA-N 2 1 325.500 4.102 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602661375 1036556347 /nfs/dbraw/zinc/55/63/47/1036556347.db2.gz DRWIDAICDSAQMJ-AZUAARDMSA-N 2 1 325.500 4.274 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602661375 1036556373 /nfs/dbraw/zinc/55/63/73/1036556373.db2.gz DRWIDAICDSAQMJ-AZUAARDMSA-N 2 1 325.500 4.274 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249410884 1037894887 /nfs/dbraw/zinc/89/48/87/1037894887.db2.gz XWVKRELKYONVKC-QWFCFKBJSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249410884 1037894891 /nfs/dbraw/zinc/89/48/91/1037894891.db2.gz XWVKRELKYONVKC-QWFCFKBJSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249410884 1037894894 /nfs/dbraw/zinc/89/48/94/1037894894.db2.gz XWVKRELKYONVKC-QWFCFKBJSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249410884 1037894896 /nfs/dbraw/zinc/89/48/96/1037894896.db2.gz XWVKRELKYONVKC-QWFCFKBJSA-N 2 1 325.500 4.206 20 30 EIEDMP C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423051477 1037936278 /nfs/dbraw/zinc/93/62/78/1037936278.db2.gz NLWDOECAGIAEGD-ORAYPTAESA-N 2 1 331.410 4.095 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594926132 1038428990 /nfs/dbraw/zinc/42/89/90/1038428990.db2.gz SJFPWLZOSZPOEE-KDURUIRLSA-N 2 1 339.527 4.089 20 30 EIEDMP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551560337 1040410863 /nfs/dbraw/zinc/41/08/63/1040410863.db2.gz RMQXTCDVSJCXCW-NQIIRXRSSA-N 2 1 345.490 4.048 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898523125 1040978247 /nfs/dbraw/zinc/97/82/47/1040978247.db2.gz ZRVOSOTXAWEVMK-HKBOAZHASA-N 2 1 339.527 4.207 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000152931434 1043022727 /nfs/dbraw/zinc/02/27/27/1043022727.db2.gz GNXLLIQYMFKKQR-IBGZPJMESA-N 2 1 341.543 4.368 20 30 EIEDMP N#Cc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311458304 1043284300 /nfs/dbraw/zinc/28/43/00/1043284300.db2.gz LETMPNZRHOVBLK-UHFFFAOYSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000272704111 1045808537 /nfs/dbraw/zinc/80/85/37/1045808537.db2.gz TVEABYPYRCTFKZ-MPGHIAIKSA-N 2 1 329.463 4.001 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192161186 1046205734 /nfs/dbraw/zinc/20/57/34/1046205734.db2.gz UZOIYLHJENNZJZ-CQSZACIVSA-N 2 1 334.398 4.042 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000154320699 1046813158 /nfs/dbraw/zinc/81/31/58/1046813158.db2.gz OOXSMCYNSVHMQF-SPEDKVCISA-N 2 1 333.479 4.119 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000154320699 1046813163 /nfs/dbraw/zinc/81/31/63/1046813163.db2.gz OOXSMCYNSVHMQF-SPEDKVCISA-N 2 1 333.479 4.119 20 30 EIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868740 1048085348 /nfs/dbraw/zinc/08/53/48/1048085348.db2.gz BUKMYIMUGZZKQG-LEWJYISDSA-N 2 1 338.495 4.441 20 30 EIEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868740 1048085372 /nfs/dbraw/zinc/08/53/72/1048085372.db2.gz BUKMYIMUGZZKQG-LEWJYISDSA-N 2 1 338.495 4.441 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000809605928 1048414262 /nfs/dbraw/zinc/41/42/62/1048414262.db2.gz JTYMYBXWZRUAMX-LJQANCHMSA-N 2 1 332.491 4.190 20 30 EIEDMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715702 1049703782 /nfs/dbraw/zinc/70/37/82/1049703782.db2.gz XQUJAANLTBSXSE-BHVFFLMSSA-N 2 1 345.490 4.262 20 30 EIEDMP C#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172074783 1049844131 /nfs/dbraw/zinc/84/41/31/1049844131.db2.gz XUXRRQIHGIBMSH-JOZNFPNDSA-N 2 1 344.502 4.343 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172308420 1049875021 /nfs/dbraw/zinc/87/50/21/1049875021.db2.gz XVCUAQAKHWGVBW-IBGZPJMESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172308420 1049875022 /nfs/dbraw/zinc/87/50/22/1049875022.db2.gz XVCUAQAKHWGVBW-IBGZPJMESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300125 1049882935 /nfs/dbraw/zinc/88/29/35/1049882935.db2.gz RDBSMIXBBIWCAE-VDGAXYAQSA-N 2 1 327.516 4.107 20 30 EIEDMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369373 1049897120 /nfs/dbraw/zinc/89/71/20/1049897120.db2.gz QNGNNMJUICONHF-MPMRWZLSSA-N 2 1 339.527 4.455 20 30 EIEDMP C[C@H](CCCC#N)[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493862 1049921800 /nfs/dbraw/zinc/92/18/00/1049921800.db2.gz WDTOAHIKXJLJKP-ATZDWAIDSA-N 2 1 333.907 4.494 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001172496495 1049921947 /nfs/dbraw/zinc/92/19/47/1049921947.db2.gz NAVTXZMJALPLAJ-HKUYNNGSSA-N 2 1 329.488 4.038 20 30 EIEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181523642 1050182179 /nfs/dbraw/zinc/18/21/79/1050182179.db2.gz CYGWFTQSUSGZEK-SFHVURJKSA-N 2 1 333.479 4.182 20 30 EIEDMP CC1(C#N)CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591763 1050495199 /nfs/dbraw/zinc/49/51/99/1050495199.db2.gz XYDWKAFJNBCZES-GOHCJOFJSA-N 2 1 343.490 4.370 20 30 EIEDMP CC1(C#N)CCC([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001173595058 1050497729 /nfs/dbraw/zinc/49/77/29/1050497729.db2.gz QVNXUPYZLYJBBI-UHFFFAOYSA-N 2 1 341.499 4.040 20 30 EIEDMP C=C(C)C[NH+]1CCC(N[C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000152952750 1050907080 /nfs/dbraw/zinc/90/70/80/1050907080.db2.gz DHBSLJZBLZWDPB-CQSZACIVSA-N 2 1 342.405 4.276 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC001181686427 1051267818 /nfs/dbraw/zinc/26/78/18/1051267818.db2.gz HAFMNSJQSACXQI-GCJKJVERSA-N 2 1 342.527 4.384 20 30 EIEDMP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000072898027 1052621860 /nfs/dbraw/zinc/62/18/60/1052621860.db2.gz WORQPIXFNQWBKR-YADHBBJMSA-N 2 1 342.446 4.144 20 30 EIEDMP N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000072898027 1052621864 /nfs/dbraw/zinc/62/18/64/1052621864.db2.gz WORQPIXFNQWBKR-YADHBBJMSA-N 2 1 342.446 4.144 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776734715 1053810488 /nfs/dbraw/zinc/81/04/88/1053810488.db2.gz LRPQAZNEMLIBDD-INIZCTEOSA-N 2 1 343.490 4.393 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000580477070 1022071438 /nfs/dbraw/zinc/07/14/38/1022071438.db2.gz VOEWKEMKQWJIPC-QINSGFPZSA-N 2 1 338.417 4.349 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC001167425460 1022323824 /nfs/dbraw/zinc/32/38/24/1022323824.db2.gz RCMAXJQREMJCGX-WOJBJXKFSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC2(C#N)CCCCC2)C1 ZINC001167425460 1022323835 /nfs/dbraw/zinc/32/38/35/1022323835.db2.gz RCMAXJQREMJCGX-WOJBJXKFSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2(C#N)CCCCC2)C1 ZINC001167425460 1022323848 /nfs/dbraw/zinc/32/38/48/1022323848.db2.gz RCMAXJQREMJCGX-WOJBJXKFSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001167425460 1022323856 /nfs/dbraw/zinc/32/38/56/1022323856.db2.gz RCMAXJQREMJCGX-WOJBJXKFSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001167425460 1022323870 /nfs/dbraw/zinc/32/38/70/1022323870.db2.gz RCMAXJQREMJCGX-WOJBJXKFSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)cc1Cl ZINC000377104477 1023372780 /nfs/dbraw/zinc/37/27/80/1023372780.db2.gz RHIPYWSAACRJQP-AWEZNQCLSA-N 2 1 336.826 4.248 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178948 1023780611 /nfs/dbraw/zinc/78/06/11/1023780611.db2.gz YAYHZWGQIVREAZ-KGVIQGDOSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178948 1023780621 /nfs/dbraw/zinc/78/06/21/1023780621.db2.gz YAYHZWGQIVREAZ-KGVIQGDOSA-N 2 1 333.479 4.262 20 30 EIEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289492032 1024336343 /nfs/dbraw/zinc/33/63/43/1024336343.db2.gz GIEMPYUFYFDREP-HXUWFJFHSA-N 2 1 327.516 4.208 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507060 1024780202 /nfs/dbraw/zinc/78/02/02/1024780202.db2.gz YDMMYTAQBZUBCI-ZAAXVRCTSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507060 1024780227 /nfs/dbraw/zinc/78/02/27/1024780227.db2.gz YDMMYTAQBZUBCI-ZAAXVRCTSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000610829828 1025051193 /nfs/dbraw/zinc/05/11/93/1025051193.db2.gz NPLSZQASYSVBED-LZJOCLMNSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278969942 1025874909 /nfs/dbraw/zinc/87/49/09/1025874909.db2.gz XSMMWKAJXIYLHC-MRXNPFEDSA-N 2 1 334.467 4.032 20 30 EIEDMP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428366602 1027833686 /nfs/dbraw/zinc/83/36/86/1027833686.db2.gz XQYMYAHPEAYKEH-UHFFFAOYSA-N 2 1 331.479 4.031 20 30 EIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000444689964 1027973339 /nfs/dbraw/zinc/97/33/39/1027973339.db2.gz PZEFVTPGFPTRCM-KXTWHKPSSA-N 2 1 341.543 4.453 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000281200416 1028434545 /nfs/dbraw/zinc/43/45/45/1028434545.db2.gz KDARVIVCRQJWRB-AZUAARDMSA-N 2 1 327.516 4.046 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000685423110 1030302452 /nfs/dbraw/zinc/30/24/52/1030302452.db2.gz ZKWODQFRCHIAEE-HNNXBMFYSA-N 2 1 340.433 4.439 20 30 EIEDMP N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000531103745 1030877569 /nfs/dbraw/zinc/87/75/69/1030877569.db2.gz QTXTXYTZQFKFHT-QHCPKHFHSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000531103745 1030877572 /nfs/dbraw/zinc/87/75/72/1030877572.db2.gz QTXTXYTZQFKFHT-QHCPKHFHSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000531103745 1030877574 /nfs/dbraw/zinc/87/75/74/1030877574.db2.gz QTXTXYTZQFKFHT-QHCPKHFHSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000531103745 1030877576 /nfs/dbraw/zinc/87/75/76/1030877576.db2.gz QTXTXYTZQFKFHT-QHCPKHFHSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082171 1031438275 /nfs/dbraw/zinc/43/82/75/1031438275.db2.gz LFIWNLVSZMVLFU-OSFYOIPJSA-N 2 1 339.527 4.481 20 30 EIEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000513493848 1034985974 /nfs/dbraw/zinc/98/59/74/1034985974.db2.gz CTZFNFWVWBRLER-FUHWJXTLSA-N 2 1 339.508 4.010 20 30 EIEDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323086 1035822470 /nfs/dbraw/zinc/82/24/70/1035822470.db2.gz RPSOHXWHKCXCFN-JTHBVZDNSA-N 2 1 345.490 4.141 20 30 EIEDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323086 1035822472 /nfs/dbraw/zinc/82/24/72/1035822472.db2.gz RPSOHXWHKCXCFN-JTHBVZDNSA-N 2 1 345.490 4.141 20 30 EIEDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323086 1035822473 /nfs/dbraw/zinc/82/24/73/1035822473.db2.gz RPSOHXWHKCXCFN-JTHBVZDNSA-N 2 1 345.490 4.141 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164709224 1036307843 /nfs/dbraw/zinc/30/78/43/1036307843.db2.gz ZSSYDEONAUYGSY-INIZCTEOSA-N 2 1 347.890 4.454 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300649 1036723452 /nfs/dbraw/zinc/72/34/52/1036723452.db2.gz WCSIRDVCNIAGQQ-SXSPYAJSSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300649 1036723475 /nfs/dbraw/zinc/72/34/75/1036723475.db2.gz WCSIRDVCNIAGQQ-SXSPYAJSSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300649 1036723493 /nfs/dbraw/zinc/72/34/93/1036723493.db2.gz WCSIRDVCNIAGQQ-SXSPYAJSSA-N 2 1 345.490 4.073 20 30 EIEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000589336966 1036738830 /nfs/dbraw/zinc/73/88/30/1036738830.db2.gz PIBPUFATLGATBO-NFBKMPQASA-N 2 1 345.490 4.047 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363608 1037912575 /nfs/dbraw/zinc/91/25/75/1037912575.db2.gz FZNQCAOZNJBXHH-PGRDOPGGSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363608 1037912609 /nfs/dbraw/zinc/91/26/09/1037912609.db2.gz FZNQCAOZNJBXHH-PGRDOPGGSA-N 2 1 345.490 4.406 20 30 EIEDMP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1)C1CC1 ZINC000121121263 1039312702 /nfs/dbraw/zinc/31/27/02/1039312702.db2.gz FBHIQFJMZKRCAT-IBGZPJMESA-N 2 1 347.572 4.252 20 30 EIEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000464770627 1042149837 /nfs/dbraw/zinc/14/98/37/1042149837.db2.gz BQQWDKYNJPYEQP-FQEVSTJZSA-N 2 1 347.506 4.389 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc(C#N)cc1 ZINC000541911743 1042167454 /nfs/dbraw/zinc/16/74/54/1042167454.db2.gz ALVBZDCOFZTJLZ-XGHQBKJUSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006948 1043010573 /nfs/dbraw/zinc/01/05/73/1043010573.db2.gz PSTVPPMDGOVSCM-OPMZPASUSA-N 2 1 333.479 4.089 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(Cl)s2)CC1 ZINC000152945061 1043029055 /nfs/dbraw/zinc/02/90/55/1043029055.db2.gz QHYYLUWHLMQQOD-CQSZACIVSA-N 2 1 326.937 4.353 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033845 1043586659 /nfs/dbraw/zinc/58/66/59/1043586659.db2.gz QDSFUIFNVZUQRT-HYFFOGBASA-N 2 1 333.479 4.359 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033845 1043586677 /nfs/dbraw/zinc/58/66/77/1043586677.db2.gz QDSFUIFNVZUQRT-HYFFOGBASA-N 2 1 333.479 4.359 20 30 EIEDMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442706202 1043813796 /nfs/dbraw/zinc/81/37/96/1043813796.db2.gz CQVLWYHNJYUMHH-FXAWDEMLSA-N 2 1 325.500 4.233 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1)CC1CC1 ZINC000442893336 1043886551 /nfs/dbraw/zinc/88/65/51/1043886551.db2.gz GGFCWHBGACPOJN-GOSISDBHSA-N 2 1 339.527 4.453 20 30 EIEDMP N#CC1(c2ccccc2)CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001170358961 1046013969 /nfs/dbraw/zinc/01/39/69/1046013969.db2.gz JFTWHCWAOCYESB-UHFFFAOYSA-N 2 1 339.527 4.374 20 30 EIEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000537047503 1046914507 /nfs/dbraw/zinc/91/45/07/1046914507.db2.gz QHTNBNXBBIHNAF-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000537047503 1046914522 /nfs/dbraw/zinc/91/45/22/1046914522.db2.gz QHTNBNXBBIHNAF-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868742 1048084360 /nfs/dbraw/zinc/08/43/60/1048084360.db2.gz BUKMYIMUGZZKQG-RTWAWAEBSA-N 2 1 338.495 4.441 20 30 EIEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868742 1048084375 /nfs/dbraw/zinc/08/43/75/1048084375.db2.gz BUKMYIMUGZZKQG-RTWAWAEBSA-N 2 1 338.495 4.441 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809605773 1048412875 /nfs/dbraw/zinc/41/28/75/1048412875.db2.gz IIMGKHYHOMQSEH-LJQANCHMSA-N 2 1 332.491 4.332 20 30 EIEDMP C#Cc1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000809601382 1048437471 /nfs/dbraw/zinc/43/74/71/1048437471.db2.gz YQCLROACAPTOIZ-UHFFFAOYSA-N 2 1 347.506 4.058 20 30 EIEDMP C[N@H+]1CC[C@@H](c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2)C1 ZINC001171185387 1048682247 /nfs/dbraw/zinc/68/22/47/1048682247.db2.gz ITWWCZPCRHIUPB-LJQANCHMSA-N 2 1 345.446 4.002 20 30 EIEDMP C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000772986707 1049265269 /nfs/dbraw/zinc/26/52/69/1049265269.db2.gz CWKZRLMJROKKTM-QGZVFWFLSA-N 2 1 345.446 4.044 20 30 EIEDMP CC1(C)C[C@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171972302 1049834527 /nfs/dbraw/zinc/83/45/27/1049834527.db2.gz PKLHMTBZQHSDMI-JOCHJYFZSA-N 2 1 347.506 4.134 20 30 EIEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171983005 1049838943 /nfs/dbraw/zinc/83/89/43/1049838943.db2.gz LVJSDHGWZQAJHC-JOCHJYFZSA-N 2 1 332.491 4.201 20 30 EIEDMP N#CC[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075027 1049844455 /nfs/dbraw/zinc/84/44/55/1049844455.db2.gz NLPUCYDBKZPCRR-KJJMTIBFSA-N 2 1 337.511 4.198 20 30 EIEDMP N#CC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075027 1049844459 /nfs/dbraw/zinc/84/44/59/1049844459.db2.gz NLPUCYDBKZPCRR-KJJMTIBFSA-N 2 1 337.511 4.198 20 30 EIEDMP N#CC[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075027 1049844460 /nfs/dbraw/zinc/84/44/60/1049844460.db2.gz NLPUCYDBKZPCRR-KJJMTIBFSA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172073563 1049844763 /nfs/dbraw/zinc/84/47/63/1049844763.db2.gz AMJQSMAJCPTKET-PSWRPDDJSA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172073563 1049844766 /nfs/dbraw/zinc/84/47/66/1049844766.db2.gz AMJQSMAJCPTKET-PSWRPDDJSA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172073563 1049844768 /nfs/dbraw/zinc/84/47/68/1049844768.db2.gz AMJQSMAJCPTKET-PSWRPDDJSA-N 2 1 337.511 4.198 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001172305908 1049873940 /nfs/dbraw/zinc/87/39/40/1049873940.db2.gz VNNAPKQLODWMMS-LJQANCHMSA-N 2 1 347.506 4.134 20 30 EIEDMP C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369506 1049896925 /nfs/dbraw/zinc/89/69/25/1049896925.db2.gz RRLYXQMCIILEIK-IUGIXFBWSA-N 2 1 339.527 4.455 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001172496497 1049921871 /nfs/dbraw/zinc/92/18/71/1049921871.db2.gz NAVTXZMJALPLAJ-MJGOQNOKSA-N 2 1 329.488 4.038 20 30 EIEDMP C=C(C)C[NH+]1CCC(NCc2cnc(-c3cccs3)s2)CC1 ZINC000083455659 1049981754 /nfs/dbraw/zinc/98/17/54/1049981754.db2.gz FQHIWHJKWKAERP-UHFFFAOYSA-N 2 1 333.526 4.002 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248859622 1050080749 /nfs/dbraw/zinc/08/07/49/1050080749.db2.gz PPRCWTFKJJPZNS-LQWHRVPQSA-N 2 1 325.500 4.233 20 30 EIEDMP CC1([NH2+]C2CCC(CC#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001173332471 1050423112 /nfs/dbraw/zinc/42/31/12/1050423112.db2.gz LWGUVQJLSGRYSP-UHFFFAOYSA-N 2 1 325.500 4.103 20 30 EIEDMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336502 1050425014 /nfs/dbraw/zinc/42/50/14/1050425014.db2.gz BKRDWTSFFVKTPE-UHFFFAOYSA-N 2 1 343.490 4.194 20 30 EIEDMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336502 1050425022 /nfs/dbraw/zinc/42/50/22/1050425022.db2.gz BKRDWTSFFVKTPE-UHFFFAOYSA-N 2 1 343.490 4.194 20 30 EIEDMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173339449 1050427374 /nfs/dbraw/zinc/42/73/74/1050427374.db2.gz PCOLMNPNLZRGHI-UHFFFAOYSA-N 2 1 325.500 4.055 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000152999169 1050926853 /nfs/dbraw/zinc/92/68/53/1050926853.db2.gz RSHMGTPRVGWQKQ-AWEZNQCLSA-N 2 1 326.406 4.397 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000153014125 1050932036 /nfs/dbraw/zinc/93/20/36/1050932036.db2.gz ADVOLMLLWLIVAM-AWEZNQCLSA-N 2 1 326.406 4.397 20 30 EIEDMP N#CC1(CCCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC001190825762 1051286025 /nfs/dbraw/zinc/28/60/25/1051286025.db2.gz BEWOCXFUTFNRSY-FQEVSTJZSA-N 2 1 331.548 4.439 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1)CC(C)C ZINC001192489379 1051755361 /nfs/dbraw/zinc/75/53/61/1051755361.db2.gz DUWOKYDCHVTQGB-UHFFFAOYSA-N 2 1 345.506 4.277 20 30 EIEDMP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000764960025 1053397562 /nfs/dbraw/zinc/39/75/62/1053397562.db2.gz BOXVAJJCVFUTLH-MOPGFXCFSA-N 2 1 328.500 4.004 20 30 EIEDMP CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000386042719 1053575044 /nfs/dbraw/zinc/57/50/44/1053575044.db2.gz ZZDBJQRFTYVLPH-SFTDATJTSA-N 2 1 339.527 4.160 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000386042719 1053575049 /nfs/dbraw/zinc/57/50/49/1053575049.db2.gz ZZDBJQRFTYVLPH-SFTDATJTSA-N 2 1 339.527 4.160 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000386042719 1053575057 /nfs/dbraw/zinc/57/50/57/1053575057.db2.gz ZZDBJQRFTYVLPH-SFTDATJTSA-N 2 1 339.527 4.160 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196936787 1053809028 /nfs/dbraw/zinc/80/90/28/1053809028.db2.gz URFIWZIAIZBTQV-RXVVDRJESA-N 2 1 325.500 4.206 20 30 EIEDMP CCCCCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201815146 1054915774 /nfs/dbraw/zinc/91/57/74/1054915774.db2.gz XMFUWCUJVKOSHF-SFTDATJTSA-N 2 1 336.564 4.027 20 30 EIEDMP CCCCCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201815146 1054915785 /nfs/dbraw/zinc/91/57/85/1054915785.db2.gz XMFUWCUJVKOSHF-SFTDATJTSA-N 2 1 336.564 4.027 20 30 EIEDMP CCCCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201815146 1054915798 /nfs/dbraw/zinc/91/57/98/1054915798.db2.gz XMFUWCUJVKOSHF-SFTDATJTSA-N 2 1 336.564 4.027 20 30 EIEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000123067410 1055838321 /nfs/dbraw/zinc/83/83/21/1055838321.db2.gz GVCGNYFXPPXUNK-DYESRHJHSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000123067410 1055838325 /nfs/dbraw/zinc/83/83/25/1055838325.db2.gz GVCGNYFXPPXUNK-DYESRHJHSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[NH+]1C ZINC000123067410 1055838330 /nfs/dbraw/zinc/83/83/30/1055838330.db2.gz GVCGNYFXPPXUNK-DYESRHJHSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[NH+]1C ZINC000123067410 1055838334 /nfs/dbraw/zinc/83/83/34/1055838334.db2.gz GVCGNYFXPPXUNK-DYESRHJHSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)C1 ZINC000067668313 524096115 /nfs/dbraw/zinc/09/61/15/524096115.db2.gz NZJSPIPUYVLZHP-SFHVURJKSA-N 2 1 333.479 4.080 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000067668291 526252236 /nfs/dbraw/zinc/25/22/36/526252236.db2.gz QPYWJLCIMSKXBH-SFHVURJKSA-N 2 1 333.479 4.222 20 30 EIEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246053 1020218853 /nfs/dbraw/zinc/21/88/53/1020218853.db2.gz XPHPLOIKXYBXNF-JPYJTQIMSA-N 2 1 347.506 4.387 20 30 EIEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246053 1020218862 /nfs/dbraw/zinc/21/88/62/1020218862.db2.gz XPHPLOIKXYBXNF-JPYJTQIMSA-N 2 1 347.506 4.387 20 30 EIEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246053 1020218871 /nfs/dbraw/zinc/21/88/71/1020218871.db2.gz XPHPLOIKXYBXNF-JPYJTQIMSA-N 2 1 347.506 4.387 20 30 EIEDMP C[C@H](NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444914 1022822622 /nfs/dbraw/zinc/82/26/22/1022822622.db2.gz YVRNDROJHKWWTN-BQFCYCMXSA-N 2 1 339.508 4.181 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444914 1022822628 /nfs/dbraw/zinc/82/26/28/1022822628.db2.gz YVRNDROJHKWWTN-BQFCYCMXSA-N 2 1 339.508 4.181 20 30 EIEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065499 1022849195 /nfs/dbraw/zinc/84/91/95/1022849195.db2.gz XZENSHBJDREWAS-WIYYLYMNSA-N 2 1 333.479 4.121 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000510714888 1024300841 /nfs/dbraw/zinc/30/08/41/1024300841.db2.gz HBDAZIUJJRMHKU-UHFFFAOYSA-N 2 1 334.507 4.449 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652151490 1024335031 /nfs/dbraw/zinc/33/50/31/1024335031.db2.gz UMTTZKRUHZMMOS-OAQYLSRUSA-N 2 1 327.516 4.333 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187977829 1026912098 /nfs/dbraw/zinc/91/20/98/1026912098.db2.gz HIGVKLLARIUCKM-LJQANCHMSA-N 2 1 346.540 4.252 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000153019332 1026927286 /nfs/dbraw/zinc/92/72/86/1026927286.db2.gz FAQZGEPYJFUSIZ-OAHLLOKOSA-N 2 1 334.529 4.108 20 30 EIEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995440 1027769540 /nfs/dbraw/zinc/76/95/40/1027769540.db2.gz FUWLMNRODVBHBD-MXHMCPQYSA-N 2 1 334.507 4.015 20 30 EIEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995440 1027769553 /nfs/dbraw/zinc/76/95/53/1027769553.db2.gz FUWLMNRODVBHBD-MXHMCPQYSA-N 2 1 334.507 4.015 20 30 EIEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995440 1027769573 /nfs/dbraw/zinc/76/95/73/1027769573.db2.gz FUWLMNRODVBHBD-MXHMCPQYSA-N 2 1 334.507 4.015 20 30 EIEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995440 1027769594 /nfs/dbraw/zinc/76/95/94/1027769594.db2.gz FUWLMNRODVBHBD-MXHMCPQYSA-N 2 1 334.507 4.015 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001167659894 1028259033 /nfs/dbraw/zinc/25/90/33/1028259033.db2.gz WOSVBGHPHIXOPA-IBGZPJMESA-N 2 1 339.527 4.343 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063951 1029622518 /nfs/dbraw/zinc/62/25/18/1029622518.db2.gz OPYIDOYNYBYBID-RCLSDMTESA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063951 1029622522 /nfs/dbraw/zinc/62/25/22/1029622522.db2.gz OPYIDOYNYBYBID-RCLSDMTESA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063951 1029622525 /nfs/dbraw/zinc/62/25/25/1029622525.db2.gz OPYIDOYNYBYBID-RCLSDMTESA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063951 1029622529 /nfs/dbraw/zinc/62/25/29/1029622529.db2.gz OPYIDOYNYBYBID-RCLSDMTESA-N 2 1 325.500 4.054 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000343755048 1029754935 /nfs/dbraw/zinc/75/49/35/1029754935.db2.gz MFDNNVQJEWVHNI-INIZCTEOSA-N 2 1 330.435 4.098 20 30 EIEDMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447522045 1030117813 /nfs/dbraw/zinc/11/78/13/1030117813.db2.gz XRRWHYPRRDAURT-QFIPXVFZSA-N 2 1 333.479 4.264 20 30 EIEDMP CC1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168206423 1031270704 /nfs/dbraw/zinc/27/07/04/1031270704.db2.gz SOCHJKGPZCBAMY-BXQDZUEOSA-N 2 1 325.500 4.209 20 30 EIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449148564 1031481974 /nfs/dbraw/zinc/48/19/74/1031481974.db2.gz KQHHHQCGPCAYRJ-FQVISZRSSA-N 2 1 325.500 4.274 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000236691624 1031673996 /nfs/dbraw/zinc/67/39/96/1031673996.db2.gz IYCVYGVTUJPVRX-UHFFFAOYSA-N 2 1 328.500 4.138 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000531910991 1031807020 /nfs/dbraw/zinc/80/70/20/1031807020.db2.gz ZHDVWGQQQRFTRT-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC000501422186 1035442458 /nfs/dbraw/zinc/44/24/58/1035442458.db2.gz KMTJICCXIAEVTO-FYWRMAATSA-N 2 1 338.417 4.349 20 30 EIEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055745 1035537395 /nfs/dbraw/zinc/53/73/95/1035537395.db2.gz INYNMEWJHHJHTE-UHFFFAOYSA-N 2 1 347.506 4.134 20 30 EIEDMP CC(C)(C#N)c1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511144 1035691892 /nfs/dbraw/zinc/69/18/92/1035691892.db2.gz QCLXDVNFEQNTTF-UHFFFAOYSA-N 2 1 347.506 4.242 20 30 EIEDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323080 1035823336 /nfs/dbraw/zinc/82/33/36/1035823336.db2.gz RPSOHXWHKCXCFN-GGAORHGYSA-N 2 1 345.490 4.141 20 30 EIEDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323080 1035823338 /nfs/dbraw/zinc/82/33/38/1035823338.db2.gz RPSOHXWHKCXCFN-GGAORHGYSA-N 2 1 345.490 4.141 20 30 EIEDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323080 1035823340 /nfs/dbraw/zinc/82/33/40/1035823340.db2.gz RPSOHXWHKCXCFN-GGAORHGYSA-N 2 1 345.490 4.141 20 30 EIEDMP C[C@H](CCC#N)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596592269 1035910250 /nfs/dbraw/zinc/91/02/50/1035910250.db2.gz LVELMNHANVKZRE-WIYYLYMNSA-N 2 1 339.527 4.301 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000589300647 1036724114 /nfs/dbraw/zinc/72/41/14/1036724114.db2.gz WCSIRDVCNIAGQQ-LEOXJPRUSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589300647 1036724132 /nfs/dbraw/zinc/72/41/32/1036724132.db2.gz WCSIRDVCNIAGQQ-LEOXJPRUSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589300647 1036724156 /nfs/dbraw/zinc/72/41/56/1036724156.db2.gz WCSIRDVCNIAGQQ-LEOXJPRUSA-N 2 1 345.490 4.073 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000183685301 1036930074 /nfs/dbraw/zinc/93/00/74/1036930074.db2.gz IJYQLWCEKIPTBG-CQSZACIVSA-N 2 1 334.398 4.042 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1Cl ZINC000537636225 1039361762 /nfs/dbraw/zinc/36/17/62/1039361762.db2.gz SSEUCCSZCZVAOR-CRAIPNDOSA-N 2 1 336.907 4.067 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1Cl ZINC000537636225 1039361781 /nfs/dbraw/zinc/36/17/81/1039361781.db2.gz SSEUCCSZCZVAOR-CRAIPNDOSA-N 2 1 336.907 4.067 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1Cl ZINC000537636225 1039361804 /nfs/dbraw/zinc/36/18/04/1039361804.db2.gz SSEUCCSZCZVAOR-CRAIPNDOSA-N 2 1 336.907 4.067 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)CC1CC1 ZINC000540049640 1041053705 /nfs/dbraw/zinc/05/37/05/1041053705.db2.gz NMTYMALRHMFZHA-UHFFFAOYSA-N 2 1 342.502 4.011 20 30 EIEDMP C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000540708111 1041607750 /nfs/dbraw/zinc/60/77/50/1041607750.db2.gz SYENMJCCLNFJRQ-SJORKVTESA-N 2 1 339.458 4.259 20 30 EIEDMP C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000540708111 1041607754 /nfs/dbraw/zinc/60/77/54/1041607754.db2.gz SYENMJCCLNFJRQ-SJORKVTESA-N 2 1 339.458 4.259 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1)CC(C)C ZINC000542252650 1042355140 /nfs/dbraw/zinc/35/51/40/1042355140.db2.gz DZRGOOIEWKWPHM-UHFFFAOYSA-N 2 1 341.543 4.333 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881464 1044197943 /nfs/dbraw/zinc/19/79/43/1044197943.db2.gz KWAGRJQXPBTGID-ZAAXVRCTSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881464 1044197951 /nfs/dbraw/zinc/19/79/51/1044197951.db2.gz KWAGRJQXPBTGID-ZAAXVRCTSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C1 ZINC000174269920 1044246539 /nfs/dbraw/zinc/24/65/39/1044246539.db2.gz QYRUVMKYESDUBI-SFHVURJKSA-N 2 1 327.516 4.338 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390638 1045296456 /nfs/dbraw/zinc/29/64/56/1045296456.db2.gz MJBZUZNGBVEZMU-UTKZUKDTSA-N 2 1 325.500 4.180 20 30 EIEDMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170358886 1046013901 /nfs/dbraw/zinc/01/39/01/1046013901.db2.gz CGSHLSFYAAGOBA-UHFFFAOYSA-N 2 1 327.516 4.102 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000154320613 1046813244 /nfs/dbraw/zinc/81/32/44/1046813244.db2.gz OOXSMCYNSVHMQF-FGSXEWAUSA-N 2 1 333.479 4.119 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000154320613 1046813245 /nfs/dbraw/zinc/81/32/45/1046813245.db2.gz OOXSMCYNSVHMQF-FGSXEWAUSA-N 2 1 333.479 4.119 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1)CC1CC1 ZINC000537046227 1046915495 /nfs/dbraw/zinc/91/54/95/1046915495.db2.gz XQWYXLAYIOSHDR-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000556599464 1047835073 /nfs/dbraw/zinc/83/50/73/1047835073.db2.gz SBCOQGAKODXXPU-UTKZUKDTSA-N 2 1 337.511 4.180 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498942516 1048000997 /nfs/dbraw/zinc/00/09/97/1048000997.db2.gz VEUJLTASKMPHMU-FQEVSTJZSA-N 2 1 328.475 4.392 20 30 EIEDMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141154 1048342389 /nfs/dbraw/zinc/34/23/89/1048342389.db2.gz ZHNGJIZRQIZRED-OCYFJXFZSA-N 2 1 345.490 4.404 20 30 EIEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001144580713 1048730821 /nfs/dbraw/zinc/73/08/21/1048730821.db2.gz FXKJMWLYSRTPFZ-RPWUZVMVSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001144580713 1048730836 /nfs/dbraw/zinc/73/08/36/1048730836.db2.gz FXKJMWLYSRTPFZ-RPWUZVMVSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001144580713 1048730850 /nfs/dbraw/zinc/73/08/50/1048730850.db2.gz FXKJMWLYSRTPFZ-RPWUZVMVSA-N 2 1 344.502 4.012 20 30 EIEDMP C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000772986703 1049266023 /nfs/dbraw/zinc/26/60/23/1049266023.db2.gz CWKZRLMJROKKTM-KRWDZBQOSA-N 2 1 345.446 4.044 20 30 EIEDMP C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001172068228 1049851012 /nfs/dbraw/zinc/85/10/12/1049851012.db2.gz JAWSSJTZQXILLN-DKUWSORSSA-N 2 1 336.523 4.498 20 30 EIEDMP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369505 1049897079 /nfs/dbraw/zinc/89/70/79/1049897079.db2.gz RRLYXQMCIILEIK-FXJJGOGXSA-N 2 1 339.527 4.455 20 30 EIEDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000180463528 1049903207 /nfs/dbraw/zinc/90/32/07/1049903207.db2.gz OYKOSKJWALTSIF-UHFFFAOYSA-N 2 1 333.479 4.188 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001172494936 1049922262 /nfs/dbraw/zinc/92/22/62/1049922262.db2.gz KOMPSPFOCOSRGV-KRWDZBQOSA-N 2 1 331.529 4.118 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001172506847 1049925364 /nfs/dbraw/zinc/92/53/64/1049925364.db2.gz KNXSXXVDWYTRBD-OAHLLOKOSA-N 2 1 342.874 4.093 20 30 EIEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000617556611 1050050479 /nfs/dbraw/zinc/05/04/79/1050050479.db2.gz TUNCUNBXJSTJCB-UHFFFAOYSA-N 2 1 338.499 4.159 20 30 EIEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000617556611 1050050484 /nfs/dbraw/zinc/05/04/84/1050050484.db2.gz TUNCUNBXJSTJCB-UHFFFAOYSA-N 2 1 338.499 4.159 20 30 EIEDMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173340296 1050431118 /nfs/dbraw/zinc/43/11/18/1050431118.db2.gz ZPKNBLHWDOUZBZ-UHFFFAOYSA-N 2 1 339.527 4.445 20 30 EIEDMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000619755716 1050883685 /nfs/dbraw/zinc/88/36/85/1050883685.db2.gz QDPIAKGMMKKYCX-DNVCBOLYSA-N 2 1 345.918 4.344 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181762597 1024254632 /nfs/dbraw/zinc/25/46/32/1024254632.db2.gz BOGVICOLLYVZKM-MSOLQXFVSA-N 2 1 333.479 4.434 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000431338511 1026022057 /nfs/dbraw/zinc/02/20/57/1026022057.db2.gz TZCHLMQGBISTHM-OAQYLSRUSA-N 2 1 340.511 4.019 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1F ZINC000512313367 1026684214 /nfs/dbraw/zinc/68/42/14/1026684214.db2.gz IPYIMLBUPBYWHI-YQQAZPJKSA-N 2 1 329.463 4.001 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1F ZINC000512313367 1026684220 /nfs/dbraw/zinc/68/42/20/1026684220.db2.gz IPYIMLBUPBYWHI-YQQAZPJKSA-N 2 1 329.463 4.001 20 30 EIEDMP Cc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+](C)C(C)C)cc1C ZINC000303908558 1027697512 /nfs/dbraw/zinc/69/75/12/1027697512.db2.gz XPPZIDSQAGXIAW-UHFFFAOYSA-N 2 1 338.499 4.070 20 30 EIEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000657880414 1030159669 /nfs/dbraw/zinc/15/96/69/1030159669.db2.gz XJZBULWIAXZPDD-WOJBJXKFSA-N 2 1 345.531 4.228 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000531654919 1031449858 /nfs/dbraw/zinc/44/98/58/1031449858.db2.gz VGOBXVVUNJXTQM-SFHVURJKSA-N 2 1 325.500 4.035 20 30 EIEDMP CC1(C#N)CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449332161 1031629813 /nfs/dbraw/zinc/62/98/13/1031629813.db2.gz BXVGWEDTUWBAKS-ITAUSPCMSA-N 2 1 339.527 4.351 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453236515 1031756126 /nfs/dbraw/zinc/75/61/26/1031756126.db2.gz UQOZUYLEHKEFID-NJDAHSKKSA-N 2 1 339.527 4.349 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2C)CC1)CC1CC1 ZINC000614403115 1034549872 /nfs/dbraw/zinc/54/98/72/1034549872.db2.gz DXNGOGZJNNBVLV-UHFFFAOYSA-N 2 1 339.527 4.201 20 30 EIEDMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421351288 1036295334 /nfs/dbraw/zinc/29/53/34/1036295334.db2.gz NTBPAIQIWVBRAC-UHFFFAOYSA-N 2 1 333.545 4.389 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(C#N)CC3)cc2)C1 ZINC000602513902 1036488928 /nfs/dbraw/zinc/48/89/28/1036488928.db2.gz GKEOLYBNGNGZBF-MPQSDHOMSA-N 2 1 325.500 4.090 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000613255140 1036807435 /nfs/dbraw/zinc/80/74/35/1036807435.db2.gz NUXQBEYDAFACJA-DUXKGJEZSA-N 2 1 325.500 4.233 20 30 EIEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421888679 1036834618 /nfs/dbraw/zinc/83/46/18/1036834618.db2.gz UEOWURBDVZEZON-UHFFFAOYSA-N 2 1 339.508 4.153 20 30 EIEDMP C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423051476 1037938088 /nfs/dbraw/zinc/93/80/88/1037938088.db2.gz NLWDOECAGIAEGD-DJJJIMSYSA-N 2 1 331.410 4.095 20 30 EIEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594493969 1038342863 /nfs/dbraw/zinc/34/28/63/1038342863.db2.gz COXASLAHKLEMOA-GOSISDBHSA-N 2 1 327.516 4.089 20 30 EIEDMP C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000086279264 1038856150 /nfs/dbraw/zinc/85/61/50/1038856150.db2.gz CYHLNQWBKWPROV-KRWDZBQOSA-N 2 1 345.446 4.044 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000442692089 1039880274 /nfs/dbraw/zinc/88/02/74/1039880274.db2.gz MXXKDAWUQOQFHJ-ICSRJNTNSA-N 2 1 325.500 4.207 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000442692089 1039880278 /nfs/dbraw/zinc/88/02/78/1039880278.db2.gz MXXKDAWUQOQFHJ-ICSRJNTNSA-N 2 1 325.500 4.207 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482253147 1040114380 /nfs/dbraw/zinc/11/43/80/1040114380.db2.gz DTUJUYVTIODFSG-UHFFFAOYSA-N 2 1 327.299 4.166 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483963610 1041087734 /nfs/dbraw/zinc/08/77/34/1041087734.db2.gz YSGJLJRCCAEDOL-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246363819 1044298917 /nfs/dbraw/zinc/29/89/17/1044298917.db2.gz LOBXDCMLUVXNRD-GGPKGHCWSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246363819 1044298931 /nfs/dbraw/zinc/29/89/31/1044298931.db2.gz LOBXDCMLUVXNRD-GGPKGHCWSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246363819 1044298945 /nfs/dbraw/zinc/29/89/45/1044298945.db2.gz LOBXDCMLUVXNRD-GGPKGHCWSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246363819 1044298957 /nfs/dbraw/zinc/29/89/57/1044298957.db2.gz LOBXDCMLUVXNRD-GGPKGHCWSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390738 1045296808 /nfs/dbraw/zinc/29/68/08/1045296808.db2.gz RIPKCLOIGFIXEO-UTKZUKDTSA-N 2 1 325.500 4.037 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390636 1045297191 /nfs/dbraw/zinc/29/71/91/1045297191.db2.gz MJBZUZNGBVEZMU-DYESRHJHSA-N 2 1 325.500 4.180 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000153657689 1045431298 /nfs/dbraw/zinc/43/12/98/1045431298.db2.gz KTEFRQOGUDKTLD-FQEVSTJZSA-N 2 1 328.500 4.093 20 30 EIEDMP C=CCCCCC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000793536008 1046274611 /nfs/dbraw/zinc/27/46/11/1046274611.db2.gz UVOAVPVGMVRMNL-MRXNPFEDSA-N 2 1 330.520 4.177 20 30 EIEDMP CC[N@@H+](CCC1CCN(Cc2cc(F)ccc2C#N)CC1)CC1CC1 ZINC000536736888 1046746582 /nfs/dbraw/zinc/74/65/82/1046746582.db2.gz GKWZFQNLCXMRQV-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP CC[N@H+](CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1)CC1CC1 ZINC000536736888 1046746598 /nfs/dbraw/zinc/74/65/98/1046746598.db2.gz GKWZFQNLCXMRQV-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1)CC1CC1 ZINC000536736888 1046746614 /nfs/dbraw/zinc/74/66/14/1046746614.db2.gz GKWZFQNLCXMRQV-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000536738195 1046749271 /nfs/dbraw/zinc/74/92/71/1046749271.db2.gz KYBHRHOOERDELC-SFHVURJKSA-N 2 1 339.527 4.453 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000556884382 1048099142 /nfs/dbraw/zinc/09/91/42/1048099142.db2.gz CAIMAIVIPKIVBM-VJBWXMMDSA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199237 1048729757 /nfs/dbraw/zinc/72/97/57/1048729757.db2.gz WUIVYAZHLNBNSX-HSQYWUDLSA-N 2 1 339.527 4.251 20 30 EIEDMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715709 1049704453 /nfs/dbraw/zinc/70/44/53/1049704453.db2.gz XQUJAANLTBSXSE-BPCBYJRWSA-N 2 1 345.490 4.262 20 30 EIEDMP N#C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172073567 1049843752 /nfs/dbraw/zinc/84/37/52/1049843752.db2.gz AMJQSMAJCPTKET-YJMBLLCNSA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172073567 1049843754 /nfs/dbraw/zinc/84/37/54/1049843754.db2.gz AMJQSMAJCPTKET-YJMBLLCNSA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172073567 1049843756 /nfs/dbraw/zinc/84/37/56/1049843756.db2.gz AMJQSMAJCPTKET-YJMBLLCNSA-N 2 1 337.511 4.198 20 30 EIEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001173312933 1050406851 /nfs/dbraw/zinc/40/68/51/1050406851.db2.gz NIDRMLFTTIWVGD-YOLZPYMBSA-N 2 1 342.527 4.143 20 30 EIEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001173312933 1050406861 /nfs/dbraw/zinc/40/68/61/1050406861.db2.gz NIDRMLFTTIWVGD-YOLZPYMBSA-N 2 1 342.527 4.143 20 30 EIEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001178826411 1050564574 /nfs/dbraw/zinc/56/45/74/1050564574.db2.gz BZVZLLNKLGIMMC-UHFFFAOYSA-N 2 1 332.900 4.113 20 30 EIEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001178826411 1050564587 /nfs/dbraw/zinc/56/45/87/1050564587.db2.gz BZVZLLNKLGIMMC-UHFFFAOYSA-N 2 1 332.900 4.113 20 30 EIEDMP C[N@H+](CCCCC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277800789 1051800911 /nfs/dbraw/zinc/80/09/11/1051800911.db2.gz UCLNSHSTNWDYNW-UHFFFAOYSA-N 2 1 327.516 4.303 20 30 EIEDMP C[N@@H+](CCCCC(C)(C)C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277800789 1051800920 /nfs/dbraw/zinc/80/09/20/1051800920.db2.gz UCLNSHSTNWDYNW-UHFFFAOYSA-N 2 1 327.516 4.303 20 30 EIEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000764960031 1053398101 /nfs/dbraw/zinc/39/81/01/1053398101.db2.gz BOXVAJJCVFUTLH-RBUKOAKNSA-N 2 1 328.500 4.004 20 30 EIEDMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921535314 1053720957 /nfs/dbraw/zinc/72/09/57/1053720957.db2.gz JMBCDIJLLPXMOI-MRXNPFEDSA-N 2 1 339.508 4.141 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921535314 1053720964 /nfs/dbraw/zinc/72/09/64/1053720964.db2.gz JMBCDIJLLPXMOI-MRXNPFEDSA-N 2 1 339.508 4.141 20 30 EIEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000765755279 1053983122 /nfs/dbraw/zinc/98/31/22/1053983122.db2.gz RQOUQQARPFJWNB-GDBMZVCRSA-N 2 1 347.890 4.310 20 30 EIEDMP CCCCCCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001201813533 1054911205 /nfs/dbraw/zinc/91/12/05/1054911205.db2.gz FZRIQKVBQSGEBK-UHFFFAOYSA-N 2 1 348.531 4.307 20 30 EIEDMP CCCCCCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001201813533 1054911217 /nfs/dbraw/zinc/91/12/17/1054911217.db2.gz FZRIQKVBQSGEBK-UHFFFAOYSA-N 2 1 348.531 4.307 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000532165918 1032070324 /nfs/dbraw/zinc/07/03/24/1032070324.db2.gz OTEXVLWWJGKIHK-GOSISDBHSA-N 2 1 325.500 4.035 20 30 EIEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000532242537 1032119256 /nfs/dbraw/zinc/11/92/56/1032119256.db2.gz GJBGEFHMOKANTA-PKTZIBPZSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000532242537 1032119277 /nfs/dbraw/zinc/11/92/77/1032119277.db2.gz GJBGEFHMOKANTA-PKTZIBPZSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000532242537 1032119293 /nfs/dbraw/zinc/11/92/93/1032119293.db2.gz GJBGEFHMOKANTA-PKTZIBPZSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000532242537 1032119321 /nfs/dbraw/zinc/11/93/21/1032119321.db2.gz GJBGEFHMOKANTA-PKTZIBPZSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000532242536 1032121451 /nfs/dbraw/zinc/12/14/51/1032121451.db2.gz GJBGEFHMOKANTA-GOTSBHOMSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000532242536 1032121462 /nfs/dbraw/zinc/12/14/62/1032121462.db2.gz GJBGEFHMOKANTA-GOTSBHOMSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000532242536 1032121474 /nfs/dbraw/zinc/12/14/74/1032121474.db2.gz GJBGEFHMOKANTA-GOTSBHOMSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000532242536 1032121486 /nfs/dbraw/zinc/12/14/86/1032121486.db2.gz GJBGEFHMOKANTA-GOTSBHOMSA-N 2 1 345.490 4.045 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)s2)cc1F ZINC000134814054 1020022328 /nfs/dbraw/zinc/02/23/28/1020022328.db2.gz MSIRGNJEVKUGOJ-LBPRGKRZSA-N 2 1 340.427 4.104 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)C1 ZINC000176947693 1020938853 /nfs/dbraw/zinc/93/88/53/1020938853.db2.gz HGJNZBXPGDLDMO-MRXNPFEDSA-N 2 1 339.508 4.141 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000613255161 1021835015 /nfs/dbraw/zinc/83/50/15/1021835015.db2.gz NUXQBEYDAFACJA-QMMLZNLJSA-N 2 1 325.500 4.233 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1cccc(C#N)c1 ZINC000610830125 1025052646 /nfs/dbraw/zinc/05/26/46/1025052646.db2.gz FVCYRMCAJDIJMM-FIKGOQFSSA-N 2 1 325.500 4.252 20 30 EIEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971561 1026089523 /nfs/dbraw/zinc/08/95/23/1026089523.db2.gz YNTVUSALWAILRE-OHSMVPPVSA-N 2 1 340.511 4.307 20 30 EIEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971561 1026089538 /nfs/dbraw/zinc/08/95/38/1026089538.db2.gz YNTVUSALWAILRE-OHSMVPPVSA-N 2 1 340.511 4.307 20 30 EIEDMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630333 1026858572 /nfs/dbraw/zinc/85/85/72/1026858572.db2.gz PAWYSKYDHZMDAA-LAXGTINGSA-N 2 1 339.527 4.101 20 30 EIEDMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630333 1026858574 /nfs/dbraw/zinc/85/85/74/1026858574.db2.gz PAWYSKYDHZMDAA-LAXGTINGSA-N 2 1 339.527 4.101 20 30 EIEDMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630332 1026859224 /nfs/dbraw/zinc/85/92/24/1026859224.db2.gz PAWYSKYDHZMDAA-CDNGDFIJSA-N 2 1 339.527 4.101 20 30 EIEDMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630332 1026859226 /nfs/dbraw/zinc/85/92/26/1026859226.db2.gz PAWYSKYDHZMDAA-CDNGDFIJSA-N 2 1 339.527 4.101 20 30 EIEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000152965061 1026872891 /nfs/dbraw/zinc/87/28/91/1026872891.db2.gz IZANRHMNWIHETP-LBPRGKRZSA-N 2 1 343.334 4.202 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000343445846 1029263408 /nfs/dbraw/zinc/26/34/08/1029263408.db2.gz NSAIMOPCCFDGRU-MRXNPFEDSA-N 2 1 339.508 4.284 20 30 EIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951786 1029594795 /nfs/dbraw/zinc/59/47/95/1029594795.db2.gz YUXGFTHOEAKLJP-UYAOXDASSA-N 2 1 327.516 4.207 20 30 EIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951786 1029594803 /nfs/dbraw/zinc/59/48/03/1029594803.db2.gz YUXGFTHOEAKLJP-UYAOXDASSA-N 2 1 327.516 4.207 20 30 EIEDMP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750081 1029806499 /nfs/dbraw/zinc/80/64/99/1029806499.db2.gz NTXDIIMMLJTUSV-LRQRDZAKSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449190869 1031510349 /nfs/dbraw/zinc/51/03/49/1031510349.db2.gz WTQQJWUZFGTRRF-QFHWKZJZSA-N 2 1 339.527 4.205 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453236513 1031757115 /nfs/dbraw/zinc/75/71/15/1031757115.db2.gz UQOZUYLEHKEFID-HBMCJLEFSA-N 2 1 339.527 4.349 20 30 EIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453292662 1031810445 /nfs/dbraw/zinc/81/04/45/1031810445.db2.gz OGPIFXUJWUPIFG-RXZUFOQRSA-N 2 1 337.511 4.102 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701662 1036577112 /nfs/dbraw/zinc/57/71/12/1036577112.db2.gz WRQQJHKYIJTPMS-GGAORHGYSA-N 2 1 345.490 4.210 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701662 1036577169 /nfs/dbraw/zinc/57/71/69/1036577169.db2.gz WRQQJHKYIJTPMS-GGAORHGYSA-N 2 1 345.490 4.210 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1Cl ZINC000537636227 1039364480 /nfs/dbraw/zinc/36/44/80/1039364480.db2.gz SSEUCCSZCZVAOR-QAPCUYQASA-N 2 1 336.907 4.067 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1Cl ZINC000537636227 1039364490 /nfs/dbraw/zinc/36/44/90/1039364490.db2.gz SSEUCCSZCZVAOR-QAPCUYQASA-N 2 1 336.907 4.067 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1Cl ZINC000537636227 1039364496 /nfs/dbraw/zinc/36/44/96/1039364496.db2.gz SSEUCCSZCZVAOR-QAPCUYQASA-N 2 1 336.907 4.067 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860778 1042205656 /nfs/dbraw/zinc/20/56/56/1042205656.db2.gz ZUUOMNODECWWKM-GHTZIAJQSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860778 1042205663 /nfs/dbraw/zinc/20/56/63/1042205663.db2.gz ZUUOMNODECWWKM-GHTZIAJQSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860778 1042205670 /nfs/dbraw/zinc/20/56/70/1042205670.db2.gz ZUUOMNODECWWKM-GHTZIAJQSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271906963 1042498553 /nfs/dbraw/zinc/49/85/53/1042498553.db2.gz CKNAKYIPJPOKNG-MRXNPFEDSA-N 2 1 337.442 4.013 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N(CCC)CCC)cc2)CC1 ZINC000730017952 1043434885 /nfs/dbraw/zinc/43/48/85/1043434885.db2.gz TZDXWYCTTLDGNO-UHFFFAOYSA-N 2 1 343.559 4.443 20 30 EIEDMP C=CCOc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976660 1043520235 /nfs/dbraw/zinc/52/02/35/1043520235.db2.gz VHITWNRSHXVURR-UHFFFAOYSA-N 2 1 338.495 4.381 20 30 EIEDMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442706208 1043814431 /nfs/dbraw/zinc/81/44/31/1043814431.db2.gz CQVLWYHNJYUMHH-YLJYHZDGSA-N 2 1 325.500 4.233 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014985 1043938414 /nfs/dbraw/zinc/93/84/14/1043938414.db2.gz NSWAWDDLTRDJCU-YWNDLMOBSA-N 2 1 325.500 4.100 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000543206849 1044131476 /nfs/dbraw/zinc/13/14/76/1044131476.db2.gz DGLLTXWFZQXVIR-XXBNENTESA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000543206849 1044131496 /nfs/dbraw/zinc/13/14/96/1044131496.db2.gz DGLLTXWFZQXVIR-XXBNENTESA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000543206849 1044131520 /nfs/dbraw/zinc/13/15/20/1044131520.db2.gz DGLLTXWFZQXVIR-XXBNENTESA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000543206849 1044131543 /nfs/dbraw/zinc/13/15/43/1044131543.db2.gz DGLLTXWFZQXVIR-XXBNENTESA-N 2 1 347.506 4.238 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158264 1044227964 /nfs/dbraw/zinc/22/79/64/1044227964.db2.gz YDMMYTAQBZUBCI-CVAIRZPRSA-N 2 1 339.508 4.353 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158264 1044227986 /nfs/dbraw/zinc/22/79/86/1044227986.db2.gz YDMMYTAQBZUBCI-CVAIRZPRSA-N 2 1 339.508 4.353 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474063365 1044331655 /nfs/dbraw/zinc/33/16/55/1044331655.db2.gz ZOZDFDLQWRTINW-HXUWFJFHSA-N 2 1 328.500 4.048 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC000544354611 1044389464 /nfs/dbraw/zinc/38/94/64/1044389464.db2.gz IBGYWAZFELUCNX-UHFFFAOYSA-N 2 1 342.527 4.352 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268130 1045025267 /nfs/dbraw/zinc/02/52/67/1045025267.db2.gz XXGGIPPHBXCPSE-NPPFBWRTSA-N 2 1 333.479 4.119 20 30 EIEDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)C1 ZINC001170376166 1046034322 /nfs/dbraw/zinc/03/43/22/1046034322.db2.gz KMPSTSOXJKSDCK-PMJAUZGISA-N 2 1 339.527 4.099 20 30 EIEDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)C1 ZINC001170376168 1046034603 /nfs/dbraw/zinc/03/46/03/1046034603.db2.gz KMPSTSOXJKSDCK-YOLZPYMBSA-N 2 1 339.527 4.099 20 30 EIEDMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715714 1049704163 /nfs/dbraw/zinc/70/41/63/1049704163.db2.gz XQUJAANLTBSXSE-NWZJSZKRSA-N 2 1 345.490 4.262 20 30 EIEDMP CC1(C)C[C@@H]([NH+]2CCC(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980075 1049839011 /nfs/dbraw/zinc/83/90/11/1049839011.db2.gz DAUWKHWDTQAFDE-FQEVSTJZSA-N 2 1 325.500 4.055 20 30 EIEDMP N#CCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074653 1049844965 /nfs/dbraw/zinc/84/49/65/1049844965.db2.gz JLBFWRCNZLBTHU-KOUNCHBCSA-N 2 1 337.511 4.198 20 30 EIEDMP C#Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172074782 1049845051 /nfs/dbraw/zinc/84/50/51/1049845051.db2.gz XUXRRQIHGIBMSH-BKFWDETESA-N 2 1 344.502 4.343 20 30 EIEDMP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065772 1049851983 /nfs/dbraw/zinc/85/19/83/1049851983.db2.gz QMSNOHOZIBLCJL-ZMIPSZNTSA-N 2 1 337.511 4.244 20 30 EIEDMP C[C@@H](CCCC#N)[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001172482920 1049910491 /nfs/dbraw/zinc/91/04/91/1049910491.db2.gz AXFSETKGZZBCGX-YFWVXDPYSA-N 2 1 325.500 4.197 20 30 EIEDMP CC[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271415 1050391292 /nfs/dbraw/zinc/39/12/92/1050391292.db2.gz QGDNXDUKCFUTQF-OTNPHJDUSA-N 2 1 325.500 4.209 20 30 EIEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001173312927 1050407057 /nfs/dbraw/zinc/40/70/57/1050407057.db2.gz NIDRMLFTTIWVGD-NTYOPAKOSA-N 2 1 342.527 4.143 20 30 EIEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001173312927 1050407058 /nfs/dbraw/zinc/40/70/58/1050407058.db2.gz NIDRMLFTTIWVGD-NTYOPAKOSA-N 2 1 342.527 4.143 20 30 EIEDMP C=CCOc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC001178462375 1050475082 /nfs/dbraw/zinc/47/50/82/1050475082.db2.gz CTAWNXGDCPJKLP-INIZCTEOSA-N 2 1 336.907 4.259 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805451 1050532638 /nfs/dbraw/zinc/53/26/38/1050532638.db2.gz OGZMQAOTVJDYGA-QRQCRPRQSA-N 2 1 342.446 4.391 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805440 1050534232 /nfs/dbraw/zinc/53/42/32/1050534232.db2.gz OGZMQAOTVJDYGA-IVZQSRNASA-N 2 1 342.446 4.391 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(OC(F)F)cc2)CC1 ZINC000153029969 1050937301 /nfs/dbraw/zinc/93/73/01/1050937301.db2.gz PRIPSDGWWDSALE-GOSISDBHSA-N 2 1 338.442 4.369 20 30 EIEDMP C#CCOc1cccc(Cl)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001183511354 1051860978 /nfs/dbraw/zinc/86/09/78/1051860978.db2.gz LZCZTQSYKSWUSX-UHFFFAOYSA-N 2 1 348.918 4.050 20 30 EIEDMP C#CCOc1cccc(Cl)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001183511354 1051860980 /nfs/dbraw/zinc/86/09/80/1051860980.db2.gz LZCZTQSYKSWUSX-UHFFFAOYSA-N 2 1 348.918 4.050 20 30 EIEDMP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000072898030 1052621580 /nfs/dbraw/zinc/62/15/80/1052621580.db2.gz WORQPIXFNQWBKR-FCHUYYIVSA-N 2 1 342.446 4.144 20 30 EIEDMP N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000072898030 1052621581 /nfs/dbraw/zinc/62/15/81/1052621581.db2.gz WORQPIXFNQWBKR-FCHUYYIVSA-N 2 1 342.446 4.144 20 30 EIEDMP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000764432820 1053099176 /nfs/dbraw/zinc/09/91/76/1053099176.db2.gz NLHLXPMEDBGHKD-LJQANCHMSA-N 2 1 348.490 4.014 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940035 1054986908 /nfs/dbraw/zinc/98/69/08/1054986908.db2.gz OOISSKXFDAXLSJ-UNMCSNQZSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940035 1054986919 /nfs/dbraw/zinc/98/69/19/1054986919.db2.gz OOISSKXFDAXLSJ-UNMCSNQZSA-N 2 1 331.463 4.016 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067668339 524097439 /nfs/dbraw/zinc/09/74/39/524097439.db2.gz PCTVJXDVGGCXGM-SFHVURJKSA-N 2 1 333.479 4.080 20 30 EIEDMP C=CCCCCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001209444294 1020354890 /nfs/dbraw/zinc/35/48/90/1020354890.db2.gz OWKLGAAXIOZEDU-UHFFFAOYSA-N 2 1 346.563 4.456 20 30 EIEDMP C=CCCCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001209444294 1020354902 /nfs/dbraw/zinc/35/49/02/1020354902.db2.gz OWKLGAAXIOZEDU-UHFFFAOYSA-N 2 1 346.563 4.456 20 30 EIEDMP C=CCCCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001209444294 1020354913 /nfs/dbraw/zinc/35/49/13/1020354913.db2.gz OWKLGAAXIOZEDU-UHFFFAOYSA-N 2 1 346.563 4.456 20 30 EIEDMP C=CCCCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001209444294 1020354931 /nfs/dbraw/zinc/35/49/31/1020354931.db2.gz OWKLGAAXIOZEDU-UHFFFAOYSA-N 2 1 346.563 4.456 20 30 EIEDMP C[NH+](C)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCCC1 ZINC000500054567 1023472624 /nfs/dbraw/zinc/47/26/24/1023472624.db2.gz RJBYTYOWRCLPKS-UHFFFAOYSA-N 2 1 339.527 4.245 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000187662859 1024798891 /nfs/dbraw/zinc/79/88/91/1024798891.db2.gz DTKLUOZOKIJGGP-ICSRJNTNSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000187662859 1024798913 /nfs/dbraw/zinc/79/89/13/1024798913.db2.gz DTKLUOZOKIJGGP-ICSRJNTNSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187689129 1025094846 /nfs/dbraw/zinc/09/48/46/1025094846.db2.gz RIXDLCPGFLEXPG-NQIIRXRSSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187689129 1025094858 /nfs/dbraw/zinc/09/48/58/1025094858.db2.gz RIXDLCPGFLEXPG-NQIIRXRSSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187689129 1025094876 /nfs/dbraw/zinc/09/48/76/1025094876.db2.gz RIXDLCPGFLEXPG-NQIIRXRSSA-N 2 1 333.479 4.073 20 30 EIEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CCC(C#N)CC1 ZINC000441344287 1027480179 /nfs/dbraw/zinc/48/01/79/1027480179.db2.gz DQKIDTVBQGVIIU-UHFFFAOYSA-N 2 1 327.516 4.064 20 30 EIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167627023 1027499552 /nfs/dbraw/zinc/49/95/52/1027499552.db2.gz ZGNUCLGSCASCAI-FQEVSTJZSA-N 2 1 341.543 4.494 20 30 EIEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428364217 1027707856 /nfs/dbraw/zinc/70/78/56/1027707856.db2.gz PCEVIHYKDNGEFP-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428364217 1027707872 /nfs/dbraw/zinc/70/78/72/1027707872.db2.gz PCEVIHYKDNGEFP-QGZVFWFLSA-N 2 1 343.490 4.174 20 30 EIEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000657880410 1030160544 /nfs/dbraw/zinc/16/05/44/1030160544.db2.gz XJZBULWIAXZPDD-UXHICEINSA-N 2 1 345.531 4.228 20 30 EIEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000531756798 1031538349 /nfs/dbraw/zinc/53/83/49/1031538349.db2.gz NZGCBHZJVCWYNH-UHFFFAOYSA-N 2 1 327.516 4.040 20 30 EIEDMP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000449212737 1031540435 /nfs/dbraw/zinc/54/04/35/1031540435.db2.gz IYXPQGWFUFNMLH-JSFXGIFRSA-N 2 1 339.527 4.349 20 30 EIEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000513493849 1034986795 /nfs/dbraw/zinc/98/67/95/1034986795.db2.gz CTZFNFWVWBRLER-SJLPKXTDSA-N 2 1 339.508 4.010 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602515955 1036474863 /nfs/dbraw/zinc/47/48/63/1036474863.db2.gz UMAWUXXXKDUECN-MPQSDHOMSA-N 2 1 325.500 4.233 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602515117 1036475317 /nfs/dbraw/zinc/47/53/17/1036475317.db2.gz MXFJJSPPBLSWPE-MPQSDHOMSA-N 2 1 325.500 4.090 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602661377 1036555814 /nfs/dbraw/zinc/55/58/14/1036555814.db2.gz DRWIDAICDSAQMJ-QUCCMNQESA-N 2 1 325.500 4.274 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602661377 1036555819 /nfs/dbraw/zinc/55/58/19/1036555819.db2.gz DRWIDAICDSAQMJ-QUCCMNQESA-N 2 1 325.500 4.274 20 30 EIEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480521607 1041353368 /nfs/dbraw/zinc/35/33/68/1041353368.db2.gz FVHKXDODEPPJEY-UHFFFAOYSA-N 2 1 333.907 4.156 20 30 EIEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480521607 1041353375 /nfs/dbraw/zinc/35/33/75/1041353375.db2.gz FVHKXDODEPPJEY-UHFFFAOYSA-N 2 1 333.907 4.156 20 30 EIEDMP C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708109 1041608203 /nfs/dbraw/zinc/60/82/03/1041608203.db2.gz SYENMJCCLNFJRQ-IAGOWNOFSA-N 2 1 339.458 4.259 20 30 EIEDMP C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708109 1041608205 /nfs/dbraw/zinc/60/82/05/1041608205.db2.gz SYENMJCCLNFJRQ-IAGOWNOFSA-N 2 1 339.458 4.259 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895229 1044207075 /nfs/dbraw/zinc/20/70/75/1044207075.db2.gz MXHSOBDEAZKEAB-PMUMKWKESA-N 2 1 345.537 4.415 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895229 1044207097 /nfs/dbraw/zinc/20/70/97/1044207097.db2.gz MXHSOBDEAZKEAB-PMUMKWKESA-N 2 1 345.537 4.415 20 30 EIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000174451382 1044274683 /nfs/dbraw/zinc/27/46/83/1044274683.db2.gz MIZDSFYCKBAOQU-UHFFFAOYSA-N 2 1 345.446 4.073 20 30 EIEDMP C[C@@H]1CC([NH2+]Cc2ccc(C#N)s2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168021541 1044438903 /nfs/dbraw/zinc/43/89/03/1044438903.db2.gz PWLILTROYJQQIJ-HZPDHXFCSA-N 2 1 339.508 4.151 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272268128 1045022071 /nfs/dbraw/zinc/02/20/71/1045022071.db2.gz XXGGIPPHBXCPSE-NJNPRVFISA-N 2 1 333.479 4.119 20 30 EIEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868741 1048083932 /nfs/dbraw/zinc/08/39/32/1048083932.db2.gz BUKMYIMUGZZKQG-NHCUHLMSSA-N 2 1 338.495 4.441 20 30 EIEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868741 1048083948 /nfs/dbraw/zinc/08/39/48/1048083948.db2.gz BUKMYIMUGZZKQG-NHCUHLMSSA-N 2 1 338.495 4.441 20 30 EIEDMP CC[N@H+](CCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 ZINC000846021888 1048790157 /nfs/dbraw/zinc/79/01/57/1048790157.db2.gz DBTFFKHMWQCEPL-SFHVURJKSA-N 2 1 343.515 4.112 20 30 EIEDMP CC[N@@H+](CCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 ZINC000846021888 1048790179 /nfs/dbraw/zinc/79/01/79/1048790179.db2.gz DBTFFKHMWQCEPL-SFHVURJKSA-N 2 1 343.515 4.112 20 30 EIEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001172494394 1049922062 /nfs/dbraw/zinc/92/20/62/1049922062.db2.gz GPDAYEZDDAKJIA-BWPNAZKDSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001172494394 1049922064 /nfs/dbraw/zinc/92/20/64/1049922064.db2.gz GPDAYEZDDAKJIA-BWPNAZKDSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001172494394 1049922066 /nfs/dbraw/zinc/92/20/66/1049922066.db2.gz GPDAYEZDDAKJIA-BWPNAZKDSA-N 2 1 345.556 4.363 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000248789112 1050077679 /nfs/dbraw/zinc/07/76/79/1050077679.db2.gz IOTXUULZYLNZMI-UIFIKXQLSA-N 2 1 325.500 4.090 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248933999 1050084961 /nfs/dbraw/zinc/08/49/61/1050084961.db2.gz YDDSBFUFQGFRSS-OPYAIIAOSA-N 2 1 325.500 4.090 20 30 EIEDMP C=CCOC1CCC([N@H+](C)C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173326190 1050417408 /nfs/dbraw/zinc/41/74/08/1050417408.db2.gz WTQZNFJKQGRIAT-UHFFFAOYSA-N 2 1 334.548 4.229 20 30 EIEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173319820 1050441617 /nfs/dbraw/zinc/44/16/17/1050441617.db2.gz XENBZQPSXUQCKH-FTWXPCQCSA-N 2 1 342.527 4.000 20 30 EIEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173319820 1050441620 /nfs/dbraw/zinc/44/16/20/1050441620.db2.gz XENBZQPSXUQCKH-FTWXPCQCSA-N 2 1 342.527 4.000 20 30 EIEDMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173596131 1050497573 /nfs/dbraw/zinc/49/75/73/1050497573.db2.gz KOBNSJJBZHMGAG-UHFFFAOYSA-N 2 1 339.527 4.445 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000153049858 1050943017 /nfs/dbraw/zinc/94/30/17/1050943017.db2.gz UBCUXUWYQJBBAJ-AWEZNQCLSA-N 2 1 342.405 4.276 20 30 EIEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000794839084 1053513736 /nfs/dbraw/zinc/51/37/36/1053513736.db2.gz YPAUVXFYPDARJX-IPJUCJBFSA-N 2 1 348.918 4.485 20 30 EIEDMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921535313 1053720444 /nfs/dbraw/zinc/72/04/44/1053720444.db2.gz JMBCDIJLLPXMOI-INIZCTEOSA-N 2 1 339.508 4.141 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921535313 1053720466 /nfs/dbraw/zinc/72/04/66/1053720466.db2.gz JMBCDIJLLPXMOI-INIZCTEOSA-N 2 1 339.508 4.141 20 30 EIEDMP C[C@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC001200941840 1054597308 /nfs/dbraw/zinc/59/73/08/1054597308.db2.gz KTBPMJIIKVVYIE-LJQANCHMSA-N 2 1 349.522 4.488 20 30 EIEDMP CCCCCCCC[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201813752 1054912437 /nfs/dbraw/zinc/91/24/37/1054912437.db2.gz IVDUSQYIUYTDJN-NHCUHLMSSA-N 2 1 336.564 4.027 20 30 EIEDMP CCCCCCCC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001201813752 1054912447 /nfs/dbraw/zinc/91/24/47/1054912447.db2.gz IVDUSQYIUYTDJN-NHCUHLMSSA-N 2 1 336.564 4.027 20 30 EIEDMP CCCCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001201813752 1054912459 /nfs/dbraw/zinc/91/24/59/1054912459.db2.gz IVDUSQYIUYTDJN-NHCUHLMSSA-N 2 1 336.564 4.027 20 30 EIEDMP CCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201776602 1054913869 /nfs/dbraw/zinc/91/38/69/1054913869.db2.gz GQYAYVCQHXCYTM-HKBOAZHASA-N 2 1 346.563 4.027 20 30 EIEDMP CCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001201776602 1054913883 /nfs/dbraw/zinc/91/38/83/1054913883.db2.gz GQYAYVCQHXCYTM-HKBOAZHASA-N 2 1 346.563 4.027 20 30 EIEDMP CCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001201776602 1054913888 /nfs/dbraw/zinc/91/38/88/1054913888.db2.gz GQYAYVCQHXCYTM-HKBOAZHASA-N 2 1 346.563 4.027 20 30 EIEDMP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000877794680 1055123466 /nfs/dbraw/zinc/12/34/66/1055123466.db2.gz PPKUTBMGCWJBHT-UHFFFAOYSA-N 2 1 337.511 4.082 20 30 EIEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412106 1056112948 /nfs/dbraw/zinc/11/29/48/1056112948.db2.gz USAMYIRUSQPIEN-HYFFOGBASA-N 2 1 333.479 4.044 20 30 EIEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246055 1020218028 /nfs/dbraw/zinc/21/80/28/1020218028.db2.gz XPHPLOIKXYBXNF-MBSDFSHPSA-N 2 1 347.506 4.387 20 30 EIEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246055 1020218037 /nfs/dbraw/zinc/21/80/37/1020218037.db2.gz XPHPLOIKXYBXNF-MBSDFSHPSA-N 2 1 347.506 4.387 20 30 EIEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246055 1020218048 /nfs/dbraw/zinc/21/80/48/1020218048.db2.gz XPHPLOIKXYBXNF-MBSDFSHPSA-N 2 1 347.506 4.387 20 30 EIEDMP C=CCCCCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001209442121 1020351065 /nfs/dbraw/zinc/35/10/65/1020351065.db2.gz UEBQXVHTRRHWJQ-VXKWHMMOSA-N 2 1 348.575 4.193 20 30 EIEDMP C=CCCCCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001209442121 1020351074 /nfs/dbraw/zinc/35/10/74/1020351074.db2.gz UEBQXVHTRRHWJQ-VXKWHMMOSA-N 2 1 348.575 4.193 20 30 EIEDMP C=CCCCCCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001209442121 1020351088 /nfs/dbraw/zinc/35/10/88/1020351088.db2.gz UEBQXVHTRRHWJQ-VXKWHMMOSA-N 2 1 348.575 4.193 20 30 EIEDMP C=CCC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1ccco1 ZINC000367614931 1022663290 /nfs/dbraw/zinc/66/32/90/1022663290.db2.gz JGIKQCRIGAXTNQ-GOSISDBHSA-N 2 1 325.456 4.249 20 30 EIEDMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc(C#N)cc1 ZINC000377080646 1023364638 /nfs/dbraw/zinc/36/46/38/1023364638.db2.gz UXPWBSCXSZVQKL-FQEVSTJZSA-N 2 1 348.425 4.432 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364428929 1023765150 /nfs/dbraw/zinc/76/51/50/1023765150.db2.gz BZDPDKOFCVREGV-UHFFFAOYSA-N 2 1 339.527 4.304 20 30 EIEDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281786 1023800291 /nfs/dbraw/zinc/80/02/91/1023800291.db2.gz FVGFICUZCWZRQR-JYBLXFRWSA-N 2 1 345.490 4.404 20 30 EIEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C1 ZINC000651714098 1024247297 /nfs/dbraw/zinc/24/72/97/1024247297.db2.gz PNEIBZITPZDLLU-AEFFLSMTSA-N 2 1 347.572 4.252 20 30 EIEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505452 1025544005 /nfs/dbraw/zinc/54/40/05/1025544005.db2.gz SQFPDYOWGUTLCP-OAQYLSRUSA-N 2 1 347.506 4.129 20 30 EIEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505452 1025544017 /nfs/dbraw/zinc/54/40/17/1025544017.db2.gz SQFPDYOWGUTLCP-OAQYLSRUSA-N 2 1 347.506 4.129 20 30 EIEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505452 1025544042 /nfs/dbraw/zinc/54/40/42/1025544042.db2.gz SQFPDYOWGUTLCP-OAQYLSRUSA-N 2 1 347.506 4.129 20 30 EIEDMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745621 1027224111 /nfs/dbraw/zinc/22/41/11/1027224111.db2.gz RRWSUBDIQYAGIS-HTAPYJJXSA-N 2 1 333.479 4.360 20 30 EIEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000237483600 1027238041 /nfs/dbraw/zinc/23/80/41/1027238041.db2.gz ZCPFMUFPUQCXID-IBGZPJMESA-N 2 1 348.490 4.014 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000281200425 1028435082 /nfs/dbraw/zinc/43/50/82/1028435082.db2.gz KDARVIVCRQJWRB-QUCCMNQESA-N 2 1 327.516 4.046 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC(CC#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053970 1029185130 /nfs/dbraw/zinc/18/51/30/1029185130.db2.gz QNYRKPUHKNUDGX-RMFSNUHRSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CC#N)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168058787 1029372165 /nfs/dbraw/zinc/37/21/65/1029372165.db2.gz CFNZOZZOPUYCDT-KOUHRCEDSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CC#N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058787 1029372184 /nfs/dbraw/zinc/37/21/84/1029372184.db2.gz CFNZOZZOPUYCDT-KOUHRCEDSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CC#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058787 1029372203 /nfs/dbraw/zinc/37/22/03/1029372203.db2.gz CFNZOZZOPUYCDT-KOUHRCEDSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058787 1029372220 /nfs/dbraw/zinc/37/22/20/1029372220.db2.gz CFNZOZZOPUYCDT-KOUHRCEDSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@H]1C[C@H](CC[NH2+]C2CCC(C)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000449212739 1031539772 /nfs/dbraw/zinc/53/97/72/1031539772.db2.gz IYXPQGWFUFNMLH-UBHSMVFVSA-N 2 1 339.527 4.349 20 30 EIEDMP C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000614184870 1033637146 /nfs/dbraw/zinc/63/71/46/1033637146.db2.gz BHMSIJBRFUYQBF-PKOBYXMFSA-N 2 1 339.527 4.230 20 30 EIEDMP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000614184867 1033637483 /nfs/dbraw/zinc/63/74/83/1033637483.db2.gz BHMSIJBRFUYQBF-IEBWSBKVSA-N 2 1 339.527 4.230 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000614397210 1034537514 /nfs/dbraw/zinc/53/75/14/1034537514.db2.gz BWUXRXIWIAJLJQ-UHFFFAOYSA-N 2 1 347.506 4.211 20 30 EIEDMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000595342640 1035634703 /nfs/dbraw/zinc/63/47/03/1035634703.db2.gz FNQJRCJGPGMOJA-CVDCTZTESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H]1C[C@@H]([NH+](C)CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000595342640 1035634743 /nfs/dbraw/zinc/63/47/43/1035634743.db2.gz FNQJRCJGPGMOJA-CVDCTZTESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000595342640 1035634750 /nfs/dbraw/zinc/63/47/50/1035634750.db2.gz FNQJRCJGPGMOJA-CVDCTZTESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000595342640 1035634760 /nfs/dbraw/zinc/63/47/60/1035634760.db2.gz FNQJRCJGPGMOJA-CVDCTZTESA-N 2 1 347.506 4.086 20 30 EIEDMP C[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973449 1036837526 /nfs/dbraw/zinc/83/75/26/1036837526.db2.gz ITFRWSNOJIBYFG-FQEVSTJZSA-N 2 1 333.479 4.188 20 30 EIEDMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973449 1036837532 /nfs/dbraw/zinc/83/75/32/1036837532.db2.gz ITFRWSNOJIBYFG-FQEVSTJZSA-N 2 1 333.479 4.188 20 30 EIEDMP CC[N@H+](Cc1ccc(C#N)c(C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488414701 1037582944 /nfs/dbraw/zinc/58/29/44/1037582944.db2.gz OEUXXYSYSBAWKA-JOCHJYFZSA-N 2 1 347.506 4.211 20 30 EIEDMP CC[NH+](Cc1ccc(C#N)c(C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488414701 1037582966 /nfs/dbraw/zinc/58/29/66/1037582966.db2.gz OEUXXYSYSBAWKA-JOCHJYFZSA-N 2 1 347.506 4.211 20 30 EIEDMP CC[NH+](Cc1ccc(C#N)c(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488414701 1037582988 /nfs/dbraw/zinc/58/29/88/1037582988.db2.gz OEUXXYSYSBAWKA-JOCHJYFZSA-N 2 1 347.506 4.211 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000482619972 1040389562 /nfs/dbraw/zinc/38/95/62/1040389562.db2.gz NPCRRKXAEPHYHI-HXUWFJFHSA-N 2 1 328.500 4.147 20 30 EIEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1 ZINC001168001417 1042851233 /nfs/dbraw/zinc/85/12/33/1042851233.db2.gz YFVUCTGMOGPQDQ-IBGZPJMESA-N 2 1 338.430 4.180 20 30 EIEDMP CC(C)[N@H+](C1CCC(C#N)(c2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170373439 1046031882 /nfs/dbraw/zinc/03/18/82/1046031882.db2.gz FDPYNMXREMSCSS-IJDVVPKISA-N 2 1 339.527 4.371 20 30 EIEDMP C#Cc1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001144578750 1048730304 /nfs/dbraw/zinc/73/03/04/1048730304.db2.gz MNNXLLFJDPRIFZ-OLKYXYMISA-N 2 1 346.518 4.063 20 30 EIEDMP C#Cc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001144578750 1048730320 /nfs/dbraw/zinc/73/03/20/1048730320.db2.gz MNNXLLFJDPRIFZ-OLKYXYMISA-N 2 1 346.518 4.063 20 30 EIEDMP C#Cc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001144578750 1048730327 /nfs/dbraw/zinc/73/03/27/1048730327.db2.gz MNNXLLFJDPRIFZ-OLKYXYMISA-N 2 1 346.518 4.063 20 30 EIEDMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171972317 1049834948 /nfs/dbraw/zinc/83/49/48/1049834948.db2.gz PZBRXSCGTBUYJT-MISYRCLQSA-N 2 1 325.500 4.102 20 30 EIEDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC001171982486 1049838587 /nfs/dbraw/zinc/83/85/87/1049838587.db2.gz JAJFRXQDGKFMKA-KRWDZBQOSA-N 2 1 339.508 4.153 20 30 EIEDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC001171982486 1049838590 /nfs/dbraw/zinc/83/85/90/1049838590.db2.gz JAJFRXQDGKFMKA-KRWDZBQOSA-N 2 1 339.508 4.153 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303932 1049873690 /nfs/dbraw/zinc/87/36/90/1049873690.db2.gz GJCGAPJLGYKODU-HSQYWUDLSA-N 2 1 339.527 4.251 20 30 EIEDMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H](C)CCCC#N)C[C@@H]21 ZINC001172500232 1049923165 /nfs/dbraw/zinc/92/31/65/1049923165.db2.gz XVZOZRHHKFTYDG-SEVLPDGMSA-N 2 1 325.500 4.179 20 30 EIEDMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+]([C@H](C)CCCC#N)C[C@@H]21 ZINC001172500232 1049923171 /nfs/dbraw/zinc/92/31/71/1049923171.db2.gz XVZOZRHHKFTYDG-SEVLPDGMSA-N 2 1 325.500 4.179 20 30 EIEDMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+]([C@H](C)CCCC#N)C[C@@H]21 ZINC001172500232 1049923176 /nfs/dbraw/zinc/92/31/76/1049923176.db2.gz XVZOZRHHKFTYDG-SEVLPDGMSA-N 2 1 325.500 4.179 20 30 EIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000248947849 1050085495 /nfs/dbraw/zinc/08/54/95/1050085495.db2.gz DQIBGNKMHDEENT-RUYXUALKSA-N 2 1 327.516 4.063 20 30 EIEDMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755885 1050885000 /nfs/dbraw/zinc/88/50/00/1050885000.db2.gz XLOWKFXNPPUHAU-YWZLYKJASA-N 2 1 345.918 4.344 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC001203269813 1051918486 /nfs/dbraw/zinc/91/84/86/1051918486.db2.gz DMGCYVQLJUNLTA-SFHVURJKSA-N 2 1 348.918 4.116 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869223 1052616225 /nfs/dbraw/zinc/61/62/25/1052616225.db2.gz ZUUOMNODECWWKM-RXVVDRJESA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869223 1052616228 /nfs/dbraw/zinc/61/62/28/1052616228.db2.gz ZUUOMNODECWWKM-RXVVDRJESA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869223 1052616231 /nfs/dbraw/zinc/61/62/31/1052616231.db2.gz ZUUOMNODECWWKM-RXVVDRJESA-N 2 1 333.479 4.073 20 30 EIEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000765289640 1053493909 /nfs/dbraw/zinc/49/39/09/1053493909.db2.gz CHWHZBRXXIXJIR-SJORKVTESA-N 2 1 336.907 4.200 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000765289631 1053494698 /nfs/dbraw/zinc/49/46/98/1053494698.db2.gz CHWHZBRXXIXJIR-DLBZAZTESA-N 2 1 336.907 4.200 20 30 EIEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412336 1056103626 /nfs/dbraw/zinc/10/36/26/1056103626.db2.gz PJXBQWZJSGYKAT-VGOFRKELSA-N 2 1 333.479 4.045 20 30 EIEDMP N#Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cs1 ZINC000921734685 1056218968 /nfs/dbraw/zinc/21/89/68/1056218968.db2.gz LYHGATWOVFYQQA-UHFFFAOYSA-N 2 1 339.508 4.286 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000743474564 1059025016 /nfs/dbraw/zinc/02/50/16/1059025016.db2.gz VMOWJSLEMJCMFV-KRWDZBQOSA-N 2 1 325.500 4.254 20 30 EIEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCC3(C#N)CCC3)C2)CC1 ZINC001167254979 1020682671 /nfs/dbraw/zinc/68/26/71/1020682671.db2.gz CHCODQKQQOALRM-FQEVSTJZSA-N 2 1 331.548 4.294 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178961 1023781424 /nfs/dbraw/zinc/78/14/24/1023781424.db2.gz YAYHZWGQIVREAZ-NPPFBWRTSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178961 1023781429 /nfs/dbraw/zinc/78/14/29/1023781429.db2.gz YAYHZWGQIVREAZ-NPPFBWRTSA-N 2 1 333.479 4.262 20 30 EIEDMP C=CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000520949812 1024770106 /nfs/dbraw/zinc/77/01/06/1024770106.db2.gz RWJLASLXNAKIHE-KDURUIRLSA-N 2 1 330.516 4.099 20 30 EIEDMP C=CCCCCCCC[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001279271863 1026201762 /nfs/dbraw/zinc/20/17/62/1026201762.db2.gz PUNXNRLXMWOWCG-LEWJYISDSA-N 2 1 335.580 4.099 20 30 EIEDMP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611590720 1026506969 /nfs/dbraw/zinc/50/69/69/1026506969.db2.gz BTMOUPTVOSIOHV-BPXKWBHBSA-N 2 1 337.511 4.178 20 30 EIEDMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447563754 1030174979 /nfs/dbraw/zinc/17/49/79/1030174979.db2.gz SDYZOGDVNAHXHP-QHCPKHFHSA-N 2 1 347.506 4.306 20 30 EIEDMP C=CCC1([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCCC1 ZINC000449571036 1031852862 /nfs/dbraw/zinc/85/28/62/1031852862.db2.gz DHXJBYNIEHJZRX-UHFFFAOYSA-N 2 1 333.545 4.278 20 30 EIEDMP C=CCC1([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCCC1 ZINC000449571036 1031852871 /nfs/dbraw/zinc/85/28/71/1031852871.db2.gz DHXJBYNIEHJZRX-UHFFFAOYSA-N 2 1 333.545 4.278 20 30 EIEDMP C[C@H]1C[C@H]([NH+](C)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000595342641 1035636477 /nfs/dbraw/zinc/63/64/77/1035636477.db2.gz FNQJRCJGPGMOJA-WMZHIEFXSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H]1C[C@H]([NH+](C)CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000595342641 1035636494 /nfs/dbraw/zinc/63/64/94/1035636494.db2.gz FNQJRCJGPGMOJA-WMZHIEFXSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H]1C[C@H]([N@H+](C)CCc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000595342641 1035636515 /nfs/dbraw/zinc/63/65/15/1035636515.db2.gz FNQJRCJGPGMOJA-WMZHIEFXSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000595342641 1035636535 /nfs/dbraw/zinc/63/65/35/1035636535.db2.gz FNQJRCJGPGMOJA-WMZHIEFXSA-N 2 1 347.506 4.086 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000491037744 1035781032 /nfs/dbraw/zinc/78/10/32/1035781032.db2.gz ONOKFKKPAGUTGU-FQEVSTJZSA-N 2 1 332.557 4.433 20 30 EIEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164709343 1036306661 /nfs/dbraw/zinc/30/66/61/1036306661.db2.gz ZSSYDEONAUYGSY-MRXNPFEDSA-N 2 1 347.890 4.454 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701663 1036578441 /nfs/dbraw/zinc/57/84/41/1036578441.db2.gz WRQQJHKYIJTPMS-GMAHTHKFSA-N 2 1 345.490 4.210 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701663 1036578475 /nfs/dbraw/zinc/57/84/75/1036578475.db2.gz WRQQJHKYIJTPMS-GMAHTHKFSA-N 2 1 345.490 4.210 20 30 EIEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000589336970 1036739814 /nfs/dbraw/zinc/73/98/14/1036739814.db2.gz PIBPUFATLGATBO-NZQKXSOJSA-N 2 1 345.490 4.047 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000183685318 1036930408 /nfs/dbraw/zinc/93/04/08/1036930408.db2.gz IJYQLWCEKIPTBG-AWEZNQCLSA-N 2 1 334.398 4.042 20 30 EIEDMP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000543876923 1038944307 /nfs/dbraw/zinc/94/43/07/1038944307.db2.gz KXIFOGIBPCVSEY-UHFFFAOYSA-N 2 1 331.479 4.031 20 30 EIEDMP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534962967 1039877245 /nfs/dbraw/zinc/87/72/45/1039877245.db2.gz OBYHLXUZZPNZNS-UHFFFAOYSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000476979109 1040080002 /nfs/dbraw/zinc/08/00/02/1040080002.db2.gz CTJRGXITBDTMNJ-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000476979109 1040080019 /nfs/dbraw/zinc/08/00/19/1040080019.db2.gz CTJRGXITBDTMNJ-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000480675925 1041466219 /nfs/dbraw/zinc/46/62/19/1041466219.db2.gz NELOGNZCPYZQBK-JSRJAPPDSA-N 2 1 339.527 4.245 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000463299409 1041483598 /nfs/dbraw/zinc/48/35/98/1041483598.db2.gz FGHDTQJMLKEXBI-GKJHBJHPSA-N 2 1 339.527 4.336 20 30 EIEDMP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000443984431 1042731366 /nfs/dbraw/zinc/73/13/66/1042731366.db2.gz XOXBNVWPYJAEKL-GOSISDBHSA-N 2 1 347.506 4.388 20 30 EIEDMP N#Cc1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001168002080 1042873842 /nfs/dbraw/zinc/87/38/42/1042873842.db2.gz DILZOEKTGJNEKY-AIZNXBIQSA-N 2 1 349.522 4.143 20 30 EIEDMP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183187854 1042915676 /nfs/dbraw/zinc/91/56/76/1042915676.db2.gz RMTCEUJVTYWXGE-NLWGTHIKSA-N 2 1 340.511 4.002 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104091 1044221195 /nfs/dbraw/zinc/22/11/95/1044221195.db2.gz GTLPRCMKKQVHHK-ROUUACIJSA-N 2 1 333.479 4.434 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378491811 1044647545 /nfs/dbraw/zinc/64/75/45/1044647545.db2.gz GGJKIGHCFKLYLT-SVMVAKDDSA-N 2 1 333.479 4.119 20 30 EIEDMP C=CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018920 1045200779 /nfs/dbraw/zinc/20/07/79/1045200779.db2.gz JRFOMBQIYAUZKB-QIJUGHKUSA-N 2 1 335.495 4.342 20 30 EIEDMP C=CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018920 1045200789 /nfs/dbraw/zinc/20/07/89/1045200789.db2.gz JRFOMBQIYAUZKB-QIJUGHKUSA-N 2 1 335.495 4.342 20 30 EIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248836423 1045885022 /nfs/dbraw/zinc/88/50/22/1045885022.db2.gz NCPBBGGHVYUNMP-YLJYHZDGSA-N 2 1 337.467 4.084 20 30 EIEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000237411250 1045980906 /nfs/dbraw/zinc/98/09/06/1045980906.db2.gz ZCPFMUFPUQCXID-LJQANCHMSA-N 2 1 348.490 4.014 20 30 EIEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001144580712 1048729029 /nfs/dbraw/zinc/72/90/29/1048729029.db2.gz FXKJMWLYSRTPFZ-DNQXCXABSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001144580712 1048729046 /nfs/dbraw/zinc/72/90/46/1048729046.db2.gz FXKJMWLYSRTPFZ-DNQXCXABSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001144580712 1048729053 /nfs/dbraw/zinc/72/90/53/1048729053.db2.gz FXKJMWLYSRTPFZ-DNQXCXABSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC001144573479 1048732195 /nfs/dbraw/zinc/73/21/95/1048732195.db2.gz LIERBDAQYMQYKK-UHFFFAOYSA-N 2 1 344.502 4.156 20 30 EIEDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000077249684 1048996136 /nfs/dbraw/zinc/99/61/36/1048996136.db2.gz SMWGFQUHEXXXLQ-UHFFFAOYSA-N 2 1 333.479 4.141 20 30 EIEDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000077249684 1048996168 /nfs/dbraw/zinc/99/61/68/1048996168.db2.gz SMWGFQUHEXXXLQ-UHFFFAOYSA-N 2 1 333.479 4.141 20 30 EIEDMP CC1(C)C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171963745 1049825815 /nfs/dbraw/zinc/82/58/15/1049825815.db2.gz JAEFDVGVWOAXBV-OAQYLSRUSA-N 2 1 333.479 4.091 20 30 EIEDMP N#C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172073565 1049845612 /nfs/dbraw/zinc/84/56/12/1049845612.db2.gz AMJQSMAJCPTKET-VXSCBNMQSA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172073565 1049845615 /nfs/dbraw/zinc/84/56/15/1049845615.db2.gz AMJQSMAJCPTKET-VXSCBNMQSA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172073565 1049845618 /nfs/dbraw/zinc/84/56/18/1049845618.db2.gz AMJQSMAJCPTKET-VXSCBNMQSA-N 2 1 337.511 4.198 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172308426 1049874730 /nfs/dbraw/zinc/87/47/30/1049874730.db2.gz XVCUAQAKHWGVBW-LJQANCHMSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001172308426 1049874735 /nfs/dbraw/zinc/87/47/35/1049874735.db2.gz XVCUAQAKHWGVBW-LJQANCHMSA-N 2 1 347.506 4.086 20 30 EIEDMP CCCCCCC[C@@H](CC)N1CCn2cc(CN3CCCC3)nc2C1 ZINC001172359656 1049895568 /nfs/dbraw/zinc/89/55/68/1049895568.db2.gz ZIMCNQYVJIUYNN-HXUWFJFHSA-N 2 1 346.563 4.434 20 30 EIEDMP CC[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173268732 1050390433 /nfs/dbraw/zinc/39/04/33/1050390433.db2.gz CFQCWGLJCNKHQJ-QYRPDUKASA-N 2 1 325.500 4.209 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618805553 1050534551 /nfs/dbraw/zinc/53/45/51/1050534551.db2.gz HMUKLJUUKORBQZ-OAOOKAIFSA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000618805553 1050534562 /nfs/dbraw/zinc/53/45/62/1050534562.db2.gz HMUKLJUUKORBQZ-OAOOKAIFSA-N 2 1 345.490 4.188 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000153050214 1050943189 /nfs/dbraw/zinc/94/31/89/1050943189.db2.gz BCOQWCGSKUPPSJ-CQSZACIVSA-N 2 1 342.405 4.276 20 30 EIEDMP CC(C)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1CC[NH+](C)CC1 ZINC001183464862 1051847838 /nfs/dbraw/zinc/84/78/38/1051847838.db2.gz ZMKVGGIQFOJMPQ-UHFFFAOYSA-N 2 1 341.543 4.288 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000174272200 1052564445 /nfs/dbraw/zinc/56/44/45/1052564445.db2.gz DDPBMXHZHKCKLA-GOSISDBHSA-N 2 1 327.516 4.481 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921703654 1056042885 /nfs/dbraw/zinc/04/28/85/1056042885.db2.gz YUWAQGYGORRILE-UHFFFAOYSA-N 2 1 337.467 4.004 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000153709700 1056064574 /nfs/dbraw/zinc/06/45/74/1056064574.db2.gz YRNPCYXAKMBCSC-HOTGVXAUSA-N 2 1 330.435 4.464 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000153709861 1056066614 /nfs/dbraw/zinc/06/66/14/1056066614.db2.gz YRNPCYXAKMBCSC-JKSUJKDBSA-N 2 1 330.435 4.464 20 30 EIEDMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC000417370804 1023292784 /nfs/dbraw/zinc/29/27/84/1023292784.db2.gz SURKASIDDKPWLV-MDNUFGMLSA-N 2 1 345.490 4.361 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC000417370804 1023292792 /nfs/dbraw/zinc/29/27/92/1023292792.db2.gz SURKASIDDKPWLV-MDNUFGMLSA-N 2 1 345.490 4.361 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244662 1026569254 /nfs/dbraw/zinc/56/92/54/1026569254.db2.gz OSYJFAOBMLPHBW-CVDCTZTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244662 1026569263 /nfs/dbraw/zinc/56/92/63/1026569263.db2.gz OSYJFAOBMLPHBW-CVDCTZTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244662 1026569273 /nfs/dbraw/zinc/56/92/73/1026569273.db2.gz OSYJFAOBMLPHBW-CVDCTZTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244662 1026569280 /nfs/dbraw/zinc/56/92/80/1026569280.db2.gz OSYJFAOBMLPHBW-CVDCTZTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512245171 1026572168 /nfs/dbraw/zinc/57/21/68/1026572168.db2.gz QAGZEZASGDWXTN-XXBNENTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512245171 1026572174 /nfs/dbraw/zinc/57/21/74/1026572174.db2.gz QAGZEZASGDWXTN-XXBNENTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512245171 1026572184 /nfs/dbraw/zinc/57/21/84/1026572184.db2.gz QAGZEZASGDWXTN-XXBNENTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512245171 1026572191 /nfs/dbraw/zinc/57/21/91/1026572191.db2.gz QAGZEZASGDWXTN-XXBNENTESA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039295 1027314256 /nfs/dbraw/zinc/31/42/56/1027314256.db2.gz CURXZBNPGLHZKU-HGKCTWBKSA-N 2 1 339.508 4.151 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039295 1027314282 /nfs/dbraw/zinc/31/42/82/1027314282.db2.gz CURXZBNPGLHZKU-HGKCTWBKSA-N 2 1 339.508 4.151 20 30 EIEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000237320982 1028769286 /nfs/dbraw/zinc/76/92/86/1028769286.db2.gz RTHSZBQGFISXDC-UHFFFAOYSA-N 2 1 346.515 4.003 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065492 1029649015 /nfs/dbraw/zinc/64/90/15/1029649015.db2.gz WVKCOWHLGPHQAB-IHOVJFEMSA-N 2 1 337.511 4.195 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065492 1029649020 /nfs/dbraw/zinc/64/90/20/1029649020.db2.gz WVKCOWHLGPHQAB-IHOVJFEMSA-N 2 1 337.511 4.195 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065492 1029649023 /nfs/dbraw/zinc/64/90/23/1029649023.db2.gz WVKCOWHLGPHQAB-IHOVJFEMSA-N 2 1 337.511 4.195 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065492 1029649029 /nfs/dbraw/zinc/64/90/29/1029649029.db2.gz WVKCOWHLGPHQAB-IHOVJFEMSA-N 2 1 337.511 4.195 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082172 1031438884 /nfs/dbraw/zinc/43/88/84/1031438884.db2.gz LFIWNLVSZMVLFU-XTWGIRIWSA-N 2 1 339.527 4.481 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449179795 1031519295 /nfs/dbraw/zinc/51/92/95/1031519295.db2.gz XEUBRDNIDWPBBM-PPXMBRMGSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000449179795 1031519307 /nfs/dbraw/zinc/51/93/07/1031519307.db2.gz XEUBRDNIDWPBBM-PPXMBRMGSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449179794 1031520005 /nfs/dbraw/zinc/52/00/05/1031520005.db2.gz XEUBRDNIDWPBBM-MAKTXDPSSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000449179794 1031520009 /nfs/dbraw/zinc/52/00/09/1031520009.db2.gz XEUBRDNIDWPBBM-MAKTXDPSSA-N 2 1 325.500 4.102 20 30 EIEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094386 1035820489 /nfs/dbraw/zinc/82/04/89/1035820489.db2.gz LVBOIWBBOGGPHD-SIKLNZKXSA-N 2 1 337.511 4.037 20 30 EIEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602706539 1036582108 /nfs/dbraw/zinc/58/21/08/1036582108.db2.gz PYNBAQLWJLFQFJ-GMAHTHKFSA-N 2 1 345.490 4.058 20 30 EIEDMP N#Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602706539 1036582144 /nfs/dbraw/zinc/58/21/44/1036582144.db2.gz PYNBAQLWJLFQFJ-GMAHTHKFSA-N 2 1 345.490 4.058 20 30 EIEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](CCCC)CC2)ccc1OC ZINC000057969786 1037350854 /nfs/dbraw/zinc/35/08/54/1037350854.db2.gz SMSLLAFZSLLJMG-UHFFFAOYSA-N 2 1 346.515 4.004 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000442692095 1039880478 /nfs/dbraw/zinc/88/04/78/1039880478.db2.gz MXXKDAWUQOQFHJ-QUCCMNQESA-N 2 1 325.500 4.207 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000442692095 1039880484 /nfs/dbraw/zinc/88/04/84/1039880484.db2.gz MXXKDAWUQOQFHJ-QUCCMNQESA-N 2 1 325.500 4.207 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000482634090 1040407678 /nfs/dbraw/zinc/40/76/78/1040407678.db2.gz INELBPVNJFNCCJ-SFHVURJKSA-N 2 1 349.316 4.067 20 30 EIEDMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(c4cccc(C#N)c4)CC3)CC2)C1 ZINC000551811107 1040620515 /nfs/dbraw/zinc/62/05/15/1040620515.db2.gz FHFFYWDNACFWFJ-LAUBAEHRSA-N 2 1 337.511 4.180 20 30 EIEDMP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517865 1040972870 /nfs/dbraw/zinc/97/28/70/1040972870.db2.gz UXUDDLGNBORHDG-NRDMVMEKSA-N 2 1 339.527 4.205 20 30 EIEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540148857 1041175346 /nfs/dbraw/zinc/17/53/46/1041175346.db2.gz HFYMGXQXYLHERK-KRWDZBQOSA-N 2 1 326.406 4.397 20 30 EIEDMP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516690453 1041710015 /nfs/dbraw/zinc/71/00/15/1041710015.db2.gz PJPJWWRSQMRYHQ-LXBDKUERSA-N 2 1 345.490 4.046 20 30 EIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271957258 1042565133 /nfs/dbraw/zinc/56/51/33/1042565133.db2.gz SKGNGCFFSOKIIU-MRXNPFEDSA-N 2 1 339.458 4.388 20 30 EIEDMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C#N ZINC000444000319 1042745570 /nfs/dbraw/zinc/74/55/70/1042745570.db2.gz VOKFTNIKLOENBN-NOTZXAQLSA-N 2 1 345.490 4.152 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104100 1044219258 /nfs/dbraw/zinc/21/92/58/1044219258.db2.gz GTLPRCMKKQVHHK-MSOLQXFVSA-N 2 1 333.479 4.434 20 30 EIEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108153 1044238620 /nfs/dbraw/zinc/23/86/20/1044238620.db2.gz PJXBQWZJSGYKAT-HTAPYJJXSA-N 2 1 333.479 4.045 20 30 EIEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000393827648 1045133704 /nfs/dbraw/zinc/13/37/04/1045133704.db2.gz IHTMPGYYMYQMDD-SFHVURJKSA-N 2 1 339.508 4.012 20 30 EIEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000393827648 1045133715 /nfs/dbraw/zinc/13/37/15/1045133715.db2.gz IHTMPGYYMYQMDD-SFHVURJKSA-N 2 1 339.508 4.012 20 30 EIEDMP C[N@@H+](CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390231 1045302311 /nfs/dbraw/zinc/30/23/11/1045302311.db2.gz LFVIPYKMAGFDCA-JOCHJYFZSA-N 2 1 333.479 4.047 20 30 EIEDMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000556599465 1047834957 /nfs/dbraw/zinc/83/49/57/1047834957.db2.gz SBCOQGAKODXXPU-UWJYYQICSA-N 2 1 337.511 4.180 20 30 EIEDMP CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171961853 1049825587 /nfs/dbraw/zinc/82/55/87/1049825587.db2.gz BGERVDYTDHHJLG-OAQYLSRUSA-N 2 1 333.479 4.091 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172083232 1049847500 /nfs/dbraw/zinc/84/75/00/1049847500.db2.gz OQNVBMSTGDSJTP-BBFRTWCISA-N 2 1 349.522 4.339 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083232 1049847502 /nfs/dbraw/zinc/84/75/02/1049847502.db2.gz OQNVBMSTGDSJTP-BBFRTWCISA-N 2 1 349.522 4.339 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172083232 1049847504 /nfs/dbraw/zinc/84/75/04/1049847504.db2.gz OQNVBMSTGDSJTP-BBFRTWCISA-N 2 1 349.522 4.339 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172083232 1049847505 /nfs/dbraw/zinc/84/75/05/1049847505.db2.gz OQNVBMSTGDSJTP-BBFRTWCISA-N 2 1 349.522 4.339 20 30 EIEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172083232 1049847508 /nfs/dbraw/zinc/84/75/08/1049847508.db2.gz OQNVBMSTGDSJTP-BBFRTWCISA-N 2 1 349.522 4.339 20 30 EIEDMP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369365 1049897243 /nfs/dbraw/zinc/89/72/43/1049897243.db2.gz QNGNNMJUICONHF-FXJJGOGXSA-N 2 1 339.527 4.455 20 30 EIEDMP CC[C@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271408 1050391579 /nfs/dbraw/zinc/39/15/79/1050391579.db2.gz QGDNXDUKCFUTQF-FIRPJDEBSA-N 2 1 325.500 4.209 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618805554 1050534419 /nfs/dbraw/zinc/53/44/19/1050534419.db2.gz HMUKLJUUKORBQZ-ODOSVJCGSA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000618805554 1050534428 /nfs/dbraw/zinc/53/44/28/1050534428.db2.gz HMUKLJUUKORBQZ-ODOSVJCGSA-N 2 1 345.490 4.188 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(OC(F)F)cc2)CC1 ZINC000153029861 1050938044 /nfs/dbraw/zinc/93/80/44/1050938044.db2.gz PRIPSDGWWDSALE-SFHVURJKSA-N 2 1 338.442 4.369 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000153050091 1050942270 /nfs/dbraw/zinc/94/22/70/1050942270.db2.gz BCOQWCGSKUPPSJ-AWEZNQCLSA-N 2 1 342.405 4.276 20 30 EIEDMP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000183428474 1051120985 /nfs/dbraw/zinc/12/09/85/1051120985.db2.gz YBGRGBPNTGGYGB-UHFFFAOYSA-N 2 1 333.479 4.189 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000794839086 1053515395 /nfs/dbraw/zinc/51/53/95/1053515395.db2.gz YPAUVXFYPDARJX-IVMQYODDSA-N 2 1 348.918 4.485 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2cncc3ccccc32)CC1 ZINC000866261026 1053667391 /nfs/dbraw/zinc/66/73/91/1053667391.db2.gz NCOMLDYDDLLNKF-GOSISDBHSA-N 2 1 337.511 4.186 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282193914 1054535456 /nfs/dbraw/zinc/53/54/56/1054535456.db2.gz WTKLAXFKOWSGFT-APWZRJJASA-N 2 1 334.467 4.032 20 30 EIEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000532242535 1032121902 /nfs/dbraw/zinc/12/19/02/1032121902.db2.gz GJBGEFHMOKANTA-DHIUTWEWSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000532242535 1032121910 /nfs/dbraw/zinc/12/19/10/1032121910.db2.gz GJBGEFHMOKANTA-DHIUTWEWSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000532242535 1032121921 /nfs/dbraw/zinc/12/19/21/1032121921.db2.gz GJBGEFHMOKANTA-DHIUTWEWSA-N 2 1 345.490 4.045 20 30 EIEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000532242535 1032121928 /nfs/dbraw/zinc/12/19/28/1032121928.db2.gz GJBGEFHMOKANTA-DHIUTWEWSA-N 2 1 345.490 4.045 20 30 EIEDMP C[C@H](NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444916 1022823476 /nfs/dbraw/zinc/82/34/76/1022823476.db2.gz YVRNDROJHKWWTN-SOLBZPMBSA-N 2 1 339.508 4.181 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444916 1022823487 /nfs/dbraw/zinc/82/34/87/1022823487.db2.gz YVRNDROJHKWWTN-SOLBZPMBSA-N 2 1 339.508 4.181 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512245170 1026572603 /nfs/dbraw/zinc/57/26/03/1026572603.db2.gz QAGZEZASGDWXTN-WMZHIEFXSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512245170 1026572612 /nfs/dbraw/zinc/57/26/12/1026572612.db2.gz QAGZEZASGDWXTN-WMZHIEFXSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512245170 1026572620 /nfs/dbraw/zinc/57/26/20/1026572620.db2.gz QAGZEZASGDWXTN-WMZHIEFXSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512245170 1026572630 /nfs/dbraw/zinc/57/26/30/1026572630.db2.gz QAGZEZASGDWXTN-WMZHIEFXSA-N 2 1 345.490 4.217 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000281200430 1028434121 /nfs/dbraw/zinc/43/41/21/1028434121.db2.gz KDARVIVCRQJWRB-UYAOXDASSA-N 2 1 327.516 4.046 20 30 EIEDMP C[C@@H]1CC([N@H+](C)Cc2cccc(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056989 1029323222 /nfs/dbraw/zinc/32/32/22/1029323222.db2.gz LDOKSQDJNWPEFT-RTBURBONSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1CC([N@@H+](C)Cc2cccc(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056989 1029323233 /nfs/dbraw/zinc/32/32/33/1029323233.db2.gz LDOKSQDJNWPEFT-RTBURBONSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@H]1CC([N@H+](C)Cc2cccc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056988 1029325318 /nfs/dbraw/zinc/32/53/18/1029325318.db2.gz LDOKSQDJNWPEFT-OALUTQOASA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@H]1CC([N@@H+](C)Cc2cccc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056988 1029325340 /nfs/dbraw/zinc/32/53/40/1029325340.db2.gz LDOKSQDJNWPEFT-OALUTQOASA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951784 1029593920 /nfs/dbraw/zinc/59/39/20/1029593920.db2.gz YUXGFTHOEAKLJP-QUCCMNQESA-N 2 1 327.516 4.207 20 30 EIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951784 1029593931 /nfs/dbraw/zinc/59/39/31/1029593931.db2.gz YUXGFTHOEAKLJP-QUCCMNQESA-N 2 1 327.516 4.207 20 30 EIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399174104 1030746043 /nfs/dbraw/zinc/74/60/43/1030746043.db2.gz JHBWOLXCLNEDGO-JOCHJYFZSA-N 2 1 347.506 4.143 20 30 EIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399174104 1030746056 /nfs/dbraw/zinc/74/60/56/1030746056.db2.gz JHBWOLXCLNEDGO-JOCHJYFZSA-N 2 1 347.506 4.143 20 30 EIEDMP N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000530865503 1030770628 /nfs/dbraw/zinc/77/06/28/1030770628.db2.gz ZAGZNOALWWBMCB-QHCPKHFHSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000530865503 1030770650 /nfs/dbraw/zinc/77/06/50/1030770650.db2.gz ZAGZNOALWWBMCB-QHCPKHFHSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000530865503 1030770667 /nfs/dbraw/zinc/77/06/67/1030770667.db2.gz ZAGZNOALWWBMCB-QHCPKHFHSA-N 2 1 345.490 4.046 20 30 EIEDMP N#Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000530865503 1030770689 /nfs/dbraw/zinc/77/06/89/1030770689.db2.gz ZAGZNOALWWBMCB-QHCPKHFHSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1cccc(C#N)c1 ZINC000610830126 1031033241 /nfs/dbraw/zinc/03/32/41/1031033241.db2.gz FVCYRMCAJDIJMM-LLGFUMIMSA-N 2 1 325.500 4.252 20 30 EIEDMP N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000532581802 1031313367 /nfs/dbraw/zinc/31/33/67/1031313367.db2.gz NBXQBAXARGMQHK-HXUWFJFHSA-N 2 1 345.490 4.143 20 30 EIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000449161093 1031500428 /nfs/dbraw/zinc/50/04/28/1031500428.db2.gz NSKOCFKNOVMGHE-YQBZFSLMSA-N 2 1 331.529 4.193 20 30 EIEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000449161093 1031500435 /nfs/dbraw/zinc/50/04/35/1031500435.db2.gz NSKOCFKNOVMGHE-YQBZFSLMSA-N 2 1 331.529 4.193 20 30 EIEDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323064 1035823304 /nfs/dbraw/zinc/82/33/04/1035823304.db2.gz RPSOHXWHKCXCFN-FYYLOGMGSA-N 2 1 345.490 4.141 20 30 EIEDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323064 1035823306 /nfs/dbraw/zinc/82/33/06/1035823306.db2.gz RPSOHXWHKCXCFN-FYYLOGMGSA-N 2 1 345.490 4.141 20 30 EIEDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323064 1035823310 /nfs/dbraw/zinc/82/33/10/1035823310.db2.gz RPSOHXWHKCXCFN-FYYLOGMGSA-N 2 1 345.490 4.141 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602515957 1036474333 /nfs/dbraw/zinc/47/43/33/1036474333.db2.gz UMAWUXXXKDUECN-XPQZIERPSA-N 2 1 325.500 4.233 20 30 EIEDMP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1)C1CC1 ZINC000121121434 1039312933 /nfs/dbraw/zinc/31/29/33/1039312933.db2.gz FBHIQFJMZKRCAT-LJQANCHMSA-N 2 1 347.572 4.252 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1Cl ZINC000537636226 1039362676 /nfs/dbraw/zinc/36/26/76/1039362676.db2.gz SSEUCCSZCZVAOR-MAUKXSAKSA-N 2 1 336.907 4.067 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1Cl ZINC000537636226 1039362685 /nfs/dbraw/zinc/36/26/85/1039362685.db2.gz SSEUCCSZCZVAOR-MAUKXSAKSA-N 2 1 336.907 4.067 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1Cl ZINC000537636226 1039362704 /nfs/dbraw/zinc/36/27/04/1039362704.db2.gz SSEUCCSZCZVAOR-MAUKXSAKSA-N 2 1 336.907 4.067 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434673204 1039807967 /nfs/dbraw/zinc/80/79/67/1039807967.db2.gz PFMNPCXWWUGAQY-UHFFFAOYSA-N 2 1 328.504 4.119 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000482648916 1040406658 /nfs/dbraw/zinc/40/66/58/1040406658.db2.gz GGDWHFBWTMHTRL-SFHVURJKSA-N 2 1 330.516 4.413 20 30 EIEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517861 1040973020 /nfs/dbraw/zinc/97/30/20/1040973020.db2.gz UXUDDLGNBORHDG-AYWYSENESA-N 2 1 339.527 4.205 20 30 EIEDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540708466 1041607967 /nfs/dbraw/zinc/60/79/67/1041607967.db2.gz WVHUJVNJPJGBAL-BBWFWOEESA-N 2 1 331.479 4.106 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc(C#N)cc1 ZINC000541911741 1042166785 /nfs/dbraw/zinc/16/67/85/1042166785.db2.gz ALVBZDCOFZTJLZ-LLGFUMIMSA-N 2 1 325.500 4.252 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000427706715 1043169919 /nfs/dbraw/zinc/16/99/19/1043169919.db2.gz VQMYMLDWEMBVAM-IBGZPJMESA-N 2 1 330.541 4.470 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185779664 1043220545 /nfs/dbraw/zinc/22/05/45/1043220545.db2.gz YDDSBFUFQGFRSS-LVCYWYKZSA-N 2 1 325.500 4.090 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCCCC)cc2)CC1 ZINC000520975912 1043475683 /nfs/dbraw/zinc/47/56/83/1043475683.db2.gz JKSMAGZZFRUAML-UHFFFAOYSA-N 2 1 330.516 4.386 20 30 EIEDMP N#C[C@@H]1CC[C@@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000442770645 1043837814 /nfs/dbraw/zinc/83/78/14/1043837814.db2.gz RWZULLWANBWTOY-DHIUTWEWSA-N 2 1 347.506 4.361 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378491804 1044649018 /nfs/dbraw/zinc/64/90/18/1044649018.db2.gz GGJKIGHCFKLYLT-NJNPRVFISA-N 2 1 333.479 4.119 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000154333525 1044773523 /nfs/dbraw/zinc/77/35/23/1044773523.db2.gz FONCZTOZRDXCHJ-CVEARBPZSA-N 2 1 330.435 4.464 20 30 EIEDMP C[N@@H+](CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390232 1045301866 /nfs/dbraw/zinc/30/18/66/1045301866.db2.gz LFVIPYKMAGFDCA-QFIPXVFZSA-N 2 1 333.479 4.047 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000153684352 1045446531 /nfs/dbraw/zinc/44/65/31/1045446531.db2.gz HHALCFCDWPMKLQ-FGSXEWAUSA-N 2 1 333.479 4.119 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000153684352 1045446540 /nfs/dbraw/zinc/44/65/40/1045446540.db2.gz HHALCFCDWPMKLQ-FGSXEWAUSA-N 2 1 333.479 4.119 20 30 EIEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000272704113 1045809699 /nfs/dbraw/zinc/80/96/99/1045809699.db2.gz TVEABYPYRCTFKZ-RLFYNMQTSA-N 2 1 329.463 4.001 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000556884379 1048100153 /nfs/dbraw/zinc/10/01/53/1048100153.db2.gz CAIMAIVIPKIVBM-VABKMULXSA-N 2 1 345.490 4.188 20 30 EIEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001144580714 1048730426 /nfs/dbraw/zinc/73/04/26/1048730426.db2.gz FXKJMWLYSRTPFZ-ZEQRLZLVSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001144580714 1048730434 /nfs/dbraw/zinc/73/04/34/1048730434.db2.gz FXKJMWLYSRTPFZ-ZEQRLZLVSA-N 2 1 344.502 4.012 20 30 EIEDMP C#Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001144580714 1048730444 /nfs/dbraw/zinc/73/04/44/1048730444.db2.gz FXKJMWLYSRTPFZ-ZEQRLZLVSA-N 2 1 344.502 4.012 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201235 1048759716 /nfs/dbraw/zinc/75/97/16/1048759716.db2.gz IUXXYXZRTMVEIL-LRQRDZAKSA-N 2 1 325.500 4.004 20 30 EIEDMP C#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974124 1049835820 /nfs/dbraw/zinc/83/58/20/1049835820.db2.gz ANVLHEOKRAMRJL-QFIPXVFZSA-N 2 1 332.491 4.201 20 30 EIEDMP C#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172073617 1049844885 /nfs/dbraw/zinc/84/48/85/1049844885.db2.gz SADLUBRYZHTBSG-JOZNFPNDSA-N 2 1 344.502 4.343 20 30 EIEDMP N#CC[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075026 1049845652 /nfs/dbraw/zinc/84/56/52/1049845652.db2.gz NLPUCYDBKZPCRR-FNAHDJPLSA-N 2 1 337.511 4.198 20 30 EIEDMP N#CC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075026 1049845656 /nfs/dbraw/zinc/84/56/56/1049845656.db2.gz NLPUCYDBKZPCRR-FNAHDJPLSA-N 2 1 337.511 4.198 20 30 EIEDMP N#CC[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075026 1049845658 /nfs/dbraw/zinc/84/56/58/1049845658.db2.gz NLPUCYDBKZPCRR-FNAHDJPLSA-N 2 1 337.511 4.198 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172064537 1049851368 /nfs/dbraw/zinc/85/13/68/1049851368.db2.gz GZRJWQRTBOLHRO-NUNAXRQHSA-N 2 1 345.490 4.234 20 30 EIEDMP CCCCCCCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001173284963 1050412566 /nfs/dbraw/zinc/41/25/66/1050412566.db2.gz MIFOFJGNQHDYQQ-LJQANCHMSA-N 2 1 326.569 4.342 20 30 EIEDMP C=CCOc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC001178462376 1050475649 /nfs/dbraw/zinc/47/56/49/1050475649.db2.gz CTAWNXGDCPJKLP-MRXNPFEDSA-N 2 1 336.907 4.259 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC001181686426 1051268347 /nfs/dbraw/zinc/26/83/47/1051268347.db2.gz HAFMNSJQSACXQI-AVRDEDQJSA-N 2 1 342.527 4.384 20 30 EIEDMP CCCCCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001177122397 1052228053 /nfs/dbraw/zinc/22/80/53/1052228053.db2.gz DKWDZPLCWSBNRJ-UHFFFAOYSA-N 2 1 335.511 4.028 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174272073 1052564407 /nfs/dbraw/zinc/56/44/07/1052564407.db2.gz RMJBSHAPNGFFOQ-SFHVURJKSA-N 2 1 327.516 4.338 20 30 EIEDMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921535794 1053729124 /nfs/dbraw/zinc/72/91/24/1053729124.db2.gz MARGOUXGGMNAQA-INIZCTEOSA-N 2 1 339.508 4.284 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921535794 1053729148 /nfs/dbraw/zinc/72/91/48/1053729148.db2.gz MARGOUXGGMNAQA-INIZCTEOSA-N 2 1 339.508 4.284 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000765755284 1053985974 /nfs/dbraw/zinc/98/59/74/1053985974.db2.gz RQOUQQARPFJWNB-ZBFHGGJFSA-N 2 1 347.890 4.310 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282193917 1054534782 /nfs/dbraw/zinc/53/47/82/1054534782.db2.gz WTKLAXFKOWSGFT-LPHOPBHVSA-N 2 1 334.467 4.032 20 30 EIEDMP CCCCCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001201825690 1054925843 /nfs/dbraw/zinc/92/58/43/1054925843.db2.gz CUMVYRJKRBIDRD-UHFFFAOYSA-N 2 1 346.563 4.211 20 30 EIEDMP CCCCCCCC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001201825690 1054925854 /nfs/dbraw/zinc/92/58/54/1054925854.db2.gz CUMVYRJKRBIDRD-UHFFFAOYSA-N 2 1 346.563 4.211 20 30 EIEDMP C#CCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000766930621 1061063109 /nfs/dbraw/zinc/06/31/09/1061063109.db2.gz HOAAJUHSGGUMGV-UHFFFAOYSA-N 2 1 338.417 4.015 20 30 EIEDMP C#CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000766930621 1061063119 /nfs/dbraw/zinc/06/31/19/1061063119.db2.gz HOAAJUHSGGUMGV-UHFFFAOYSA-N 2 1 338.417 4.015 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000067668268 524116161 /nfs/dbraw/zinc/11/61/61/524116161.db2.gz XWBYSCHJUDQMAB-GOSISDBHSA-N 2 1 333.479 4.222 20 30 EIEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000311449664 1022330043 /nfs/dbraw/zinc/33/00/43/1022330043.db2.gz IUPXHXYFBOVCIB-UHFFFAOYSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500115976 1023514079 /nfs/dbraw/zinc/51/40/79/1023514079.db2.gz WLUMMFXCQZCKMF-JSRJAPPDSA-N 2 1 339.527 4.245 20 30 EIEDMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167969246 1025981540 /nfs/dbraw/zinc/98/15/40/1025981540.db2.gz AUUGPJFIRNSACC-LQCXBHPOSA-N 2 1 337.511 4.250 20 30 EIEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119730684 1025988802 /nfs/dbraw/zinc/98/88/02/1025988802.db2.gz DNDTVSDCFXIUBL-OAHLLOKOSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657352184 1026226407 /nfs/dbraw/zinc/22/64/07/1026226407.db2.gz DIXRWNRYMSWMIW-UHFFFAOYSA-N 2 1 341.524 4.249 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000152996421 1026873988 /nfs/dbraw/zinc/87/39/88/1026873988.db2.gz GSYGKOFVUQTZSR-HZPDHXFCSA-N 2 1 343.540 4.418 20 30 EIEDMP N#Cc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342876506 1027406856 /nfs/dbraw/zinc/40/68/56/1027406856.db2.gz RDAXMKNPXWFPOC-UHFFFAOYSA-N 2 1 345.490 4.046 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CC#N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058790 1029376952 /nfs/dbraw/zinc/37/69/52/1029376952.db2.gz CFNZOZZOPUYCDT-YHELAOLJSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CC#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058790 1029376963 /nfs/dbraw/zinc/37/69/63/1029376963.db2.gz CFNZOZZOPUYCDT-YHELAOLJSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058790 1029376977 /nfs/dbraw/zinc/37/69/77/1029376977.db2.gz CFNZOZZOPUYCDT-YHELAOLJSA-N 2 1 325.500 4.054 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058790 1029376984 /nfs/dbraw/zinc/37/69/84/1029376984.db2.gz CFNZOZZOPUYCDT-YHELAOLJSA-N 2 1 325.500 4.054 20 30 EIEDMP CC1(C#N)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000449138513 1031473745 /nfs/dbraw/zinc/47/37/45/1031473745.db2.gz IJNJXDJOLYSFDF-QMIIDVESSA-N 2 1 337.511 4.244 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602513770 1036488248 /nfs/dbraw/zinc/48/82/48/1036488248.db2.gz CVEIHBSAIDABML-MPQSDHOMSA-N 2 1 325.500 4.233 20 30 EIEDMP N#CC1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602654402 1036553300 /nfs/dbraw/zinc/55/33/00/1036553300.db2.gz GVAFQHAHMVAFRZ-WJTCQHJGSA-N 2 1 337.511 4.274 20 30 EIEDMP N#CC1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602654402 1036553322 /nfs/dbraw/zinc/55/33/22/1036553322.db2.gz GVAFQHAHMVAFRZ-WJTCQHJGSA-N 2 1 337.511 4.274 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1Cl ZINC000539817156 1040812124 /nfs/dbraw/zinc/81/21/24/1040812124.db2.gz BERGQBFFBRBOIN-RDJZCZTQSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1Cl ZINC000539817156 1040812129 /nfs/dbraw/zinc/81/21/29/1040812129.db2.gz BERGQBFFBRBOIN-RDJZCZTQSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1Cl ZINC000539817156 1040812133 /nfs/dbraw/zinc/81/21/33/1040812133.db2.gz BERGQBFFBRBOIN-RDJZCZTQSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1Cl ZINC000539817156 1040812140 /nfs/dbraw/zinc/81/21/40/1040812140.db2.gz BERGQBFFBRBOIN-RDJZCZTQSA-N 2 1 336.907 4.209 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000463299414 1041483855 /nfs/dbraw/zinc/48/38/55/1041483855.db2.gz FGHDTQJMLKEXBI-UDKICSLYSA-N 2 1 339.527 4.336 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000540603669 1041556716 /nfs/dbraw/zinc/55/67/16/1041556716.db2.gz GNJWIUFQXAMNMU-UHFFFAOYSA-N 2 1 328.500 4.049 20 30 EIEDMP C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708110 1041608168 /nfs/dbraw/zinc/60/81/68/1041608168.db2.gz SYENMJCCLNFJRQ-IRXDYDNUSA-N 2 1 339.458 4.259 20 30 EIEDMP C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708110 1041608170 /nfs/dbraw/zinc/60/81/70/1041608170.db2.gz SYENMJCCLNFJRQ-IRXDYDNUSA-N 2 1 339.458 4.259 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000180935804 1042866528 /nfs/dbraw/zinc/86/65/28/1042866528.db2.gz CSBXBWFVDKIKIJ-UHFFFAOYSA-N 2 1 326.456 4.131 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895236 1044205228 /nfs/dbraw/zinc/20/52/28/1044205228.db2.gz MXHSOBDEAZKEAB-SUNYJGFJSA-N 2 1 345.537 4.415 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895236 1044205243 /nfs/dbraw/zinc/20/52/43/1044205243.db2.gz MXHSOBDEAZKEAB-SUNYJGFJSA-N 2 1 345.537 4.415 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246277299 1044289009 /nfs/dbraw/zinc/28/90/09/1044289009.db2.gz BXFICCDEXYYJSG-QUCCMNQESA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246277299 1044289020 /nfs/dbraw/zinc/28/90/20/1044289020.db2.gz BXFICCDEXYYJSG-QUCCMNQESA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118532753 1044677737 /nfs/dbraw/zinc/67/77/37/1044677737.db2.gz BXFICCDEXYYJSG-ICSRJNTNSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118532753 1044677751 /nfs/dbraw/zinc/67/77/51/1044677751.db2.gz BXFICCDEXYYJSG-ICSRJNTNSA-N 2 1 325.500 4.063 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192161192 1046205580 /nfs/dbraw/zinc/20/55/80/1046205580.db2.gz UZOIYLHJENNZJZ-AWEZNQCLSA-N 2 1 334.398 4.042 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303933 1049873945 /nfs/dbraw/zinc/87/39/45/1049873945.db2.gz GJCGAPJLGYKODU-ZPMCFJSWSA-N 2 1 339.527 4.251 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172312183 1049875313 /nfs/dbraw/zinc/87/53/13/1049875313.db2.gz FOIOTMOSZYKSDE-SFHVURJKSA-N 2 1 339.527 4.218 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172312174 1049875371 /nfs/dbraw/zinc/87/53/71/1049875371.db2.gz FOIOTMOSZYKSDE-GOSISDBHSA-N 2 1 339.527 4.218 20 30 EIEDMP CCCCCCC[C@H](CC)N1CCn2cc(CN3CCCC3)nc2C1 ZINC001172359645 1049895652 /nfs/dbraw/zinc/89/56/52/1049895652.db2.gz ZIMCNQYVJIUYNN-FQEVSTJZSA-N 2 1 346.563 4.434 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001172486749 1049910992 /nfs/dbraw/zinc/91/09/92/1049910992.db2.gz HAUCZGDUQGSSCK-AWEZNQCLSA-N 2 1 339.405 4.038 20 30 EIEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172510299 1049925921 /nfs/dbraw/zinc/92/59/21/1049925921.db2.gz ZHOAFLGYXCWQCB-PZJWPPBQSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172510299 1049925924 /nfs/dbraw/zinc/92/59/24/1049925924.db2.gz ZHOAFLGYXCWQCB-PZJWPPBQSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172510299 1049925929 /nfs/dbraw/zinc/92/59/29/1049925929.db2.gz ZHOAFLGYXCWQCB-PZJWPPBQSA-N 2 1 325.500 4.057 20 30 EIEDMP N#CCC1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332199 1050423518 /nfs/dbraw/zinc/42/35/18/1050423518.db2.gz JIQUDJSJLAHQCY-BXQDZUEOSA-N 2 1 343.490 4.370 20 30 EIEDMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000619755717 1050882734 /nfs/dbraw/zinc/88/27/34/1050882734.db2.gz QDPIAKGMMKKYCX-HNAYVOBHSA-N 2 1 345.918 4.344 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153000888 1050926962 /nfs/dbraw/zinc/92/69/62/1050926962.db2.gz BBYSBTHLHKTFRY-IBGZPJMESA-N 2 1 331.460 4.066 20 30 EIEDMP C[C@@]1(C#N)CC[N@@H+](CCCCCCCCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000852687137 1053601085 /nfs/dbraw/zinc/60/10/85/1053601085.db2.gz PWBBOMWIRBZYRQ-OYRHEFFESA-N 2 1 344.547 4.188 20 30 EIEDMP C[C@@]1(C#N)CC[NH+](CCCCCCCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852687137 1053601091 /nfs/dbraw/zinc/60/10/91/1053601091.db2.gz PWBBOMWIRBZYRQ-OYRHEFFESA-N 2 1 344.547 4.188 20 30 EIEDMP C[C@@]1(C#N)CC[NH+](CCCCCCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852687137 1053601098 /nfs/dbraw/zinc/60/10/98/1053601098.db2.gz PWBBOMWIRBZYRQ-OYRHEFFESA-N 2 1 344.547 4.188 20 30 EIEDMP C[C@@]1(C#N)CC[NH+](CCCCCCCCC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852687139 1053601476 /nfs/dbraw/zinc/60/14/76/1053601476.db2.gz PWBBOMWIRBZYRQ-SFTDATJTSA-N 2 1 344.547 4.188 20 30 EIEDMP CCCCCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000852761787 1053610058 /nfs/dbraw/zinc/61/00/58/1053610058.db2.gz APMYQNMHAYRQHP-UHFFFAOYSA-N 2 1 332.536 4.027 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196936788 1053808753 /nfs/dbraw/zinc/80/87/53/1053808753.db2.gz URFIWZIAIZBTQV-WIYYLYMNSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000123067602 1055837107 /nfs/dbraw/zinc/83/71/07/1055837107.db2.gz GVCGNYFXPPXUNK-LAUBAEHRSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000123067602 1055837110 /nfs/dbraw/zinc/83/71/10/1055837110.db2.gz GVCGNYFXPPXUNK-LAUBAEHRSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[NH+]1C ZINC000123067602 1055837118 /nfs/dbraw/zinc/83/71/18/1055837118.db2.gz GVCGNYFXPPXUNK-LAUBAEHRSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC[NH+]1C ZINC000123067602 1055837120 /nfs/dbraw/zinc/83/71/20/1055837120.db2.gz GVCGNYFXPPXUNK-LAUBAEHRSA-N 2 1 333.479 4.140 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000766348582 1060273260 /nfs/dbraw/zinc/27/32/60/1060273260.db2.gz AENNTZBKFBBULZ-QGZVFWFLSA-N 2 1 325.500 4.254 20 30 EIEDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220904 1021921797 /nfs/dbraw/zinc/92/17/97/1021921797.db2.gz LEEULMLEQGTQEH-JTHBVZDNSA-N 2 1 347.506 4.164 20 30 EIEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC001167425451 1022322796 /nfs/dbraw/zinc/32/27/96/1022322796.db2.gz RCMAXJQREMJCGX-PMACEKPBSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC2(C#N)CCCCC2)C1 ZINC001167425451 1022322816 /nfs/dbraw/zinc/32/28/16/1022322816.db2.gz RCMAXJQREMJCGX-PMACEKPBSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2(C#N)CCCCC2)C1 ZINC001167425451 1022322835 /nfs/dbraw/zinc/32/28/35/1022322835.db2.gz RCMAXJQREMJCGX-PMACEKPBSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001167425451 1022322851 /nfs/dbraw/zinc/32/28/51/1022322851.db2.gz RCMAXJQREMJCGX-PMACEKPBSA-N 2 1 331.548 4.437 20 30 EIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001167425451 1022322872 /nfs/dbraw/zinc/32/28/72/1022322872.db2.gz RCMAXJQREMJCGX-PMACEKPBSA-N 2 1 331.548 4.437 20 30 EIEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505451 1025545126 /nfs/dbraw/zinc/54/51/26/1025545126.db2.gz SQFPDYOWGUTLCP-NRFANRHFSA-N 2 1 347.506 4.129 20 30 EIEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167505451 1025545141 /nfs/dbraw/zinc/54/51/41/1025545141.db2.gz SQFPDYOWGUTLCP-NRFANRHFSA-N 2 1 347.506 4.129 20 30 EIEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167505451 1025545159 /nfs/dbraw/zinc/54/51/59/1025545159.db2.gz SQFPDYOWGUTLCP-NRFANRHFSA-N 2 1 347.506 4.129 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278915182 1025546281 /nfs/dbraw/zinc/54/62/81/1025546281.db2.gz QWAOIOBDQKFWAF-INIZCTEOSA-N 2 1 334.467 4.032 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCCCC)c2)CC1 ZINC000106246237 1027698335 /nfs/dbraw/zinc/69/83/35/1027698335.db2.gz GXLSNOGTQJNKNM-UHFFFAOYSA-N 2 1 346.515 4.004 20 30 EIEDMP C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCC[NH+](CCCC(C)(C)C#N)CC1 ZINC000156954793 1028877426 /nfs/dbraw/zinc/87/74/26/1028877426.db2.gz LLEIMTJQXUMUAS-LJQANCHMSA-N 2 1 346.563 4.433 20 30 EIEDMP C[NH+](CCCC(C)(C)C#N)[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000156954793 1028877434 /nfs/dbraw/zinc/87/74/34/1028877434.db2.gz LLEIMTJQXUMUAS-LJQANCHMSA-N 2 1 346.563 4.433 20 30 EIEDMP C[NH+](CCCC(C)(C)C#N)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000156954793 1028877437 /nfs/dbraw/zinc/87/74/37/1028877437.db2.gz LLEIMTJQXUMUAS-LJQANCHMSA-N 2 1 346.563 4.433 20 30 EIEDMP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000301693300 1029790225 /nfs/dbraw/zinc/79/02/25/1029790225.db2.gz XPEGEGCQZJFXOY-UHFFFAOYSA-N 2 1 325.456 4.004 20 30 EIEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000301776321 1029807827 /nfs/dbraw/zinc/80/78/27/1029807827.db2.gz GQYHCSSAMCLIGC-UHFFFAOYSA-N 2 1 335.373 4.316 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000584439178 1029870836 /nfs/dbraw/zinc/87/08/36/1029870836.db2.gz JBGAUNLFMYEDGS-YFXJRYMSSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584439178 1029870837 /nfs/dbraw/zinc/87/08/37/1029870837.db2.gz JBGAUNLFMYEDGS-YFXJRYMSSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584439178 1029870840 /nfs/dbraw/zinc/87/08/40/1029870840.db2.gz JBGAUNLFMYEDGS-YFXJRYMSSA-N 2 1 345.490 4.073 20 30 EIEDMP C=C(C)CN1CCC([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000122358276 1030808821 /nfs/dbraw/zinc/80/88/21/1030808821.db2.gz WMQFDRLIUCYPIY-UHFFFAOYSA-N 2 1 339.458 4.018 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000531654861 1031447932 /nfs/dbraw/zinc/44/79/32/1031447932.db2.gz ADOWXTZZBUXGSR-SFHVURJKSA-N 2 1 325.500 4.035 20 30 EIEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000513511360 1034990518 /nfs/dbraw/zinc/99/05/18/1034990518.db2.gz IUDVKIAOEOCRGQ-FUHWJXTLSA-N 2 1 339.508 4.010 20 30 EIEDMP N#CC1(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)CCCCC1 ZINC000595509753 1035692987 /nfs/dbraw/zinc/69/29/87/1035692987.db2.gz UVQRAAUJAWBOFZ-UHFFFAOYSA-N 2 1 325.500 4.105 20 30 EIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421364660 1036311897 /nfs/dbraw/zinc/31/18/97/1036311897.db2.gz OZPJCDKZDIHWEV-MRXNPFEDSA-N 2 1 337.442 4.013 20 30 EIEDMP C=CCOc1cccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000589836595 1036880045 /nfs/dbraw/zinc/88/00/45/1036880045.db2.gz NFWZYZFZQHOFEI-KDURUIRLSA-N 2 1 330.516 4.099 20 30 EIEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818664 1039372887 /nfs/dbraw/zinc/37/28/87/1039372887.db2.gz PNTUEPLNCYNSKY-IFMALSPDSA-N 2 1 336.479 4.177 20 30 EIEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818664 1039372901 /nfs/dbraw/zinc/37/29/01/1039372901.db2.gz PNTUEPLNCYNSKY-IFMALSPDSA-N 2 1 336.479 4.177 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000482650801 1040413603 /nfs/dbraw/zinc/41/36/03/1040413603.db2.gz ZVLJPFWEFUKLFN-HXUWFJFHSA-N 2 1 328.500 4.147 20 30 EIEDMP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517863 1040971480 /nfs/dbraw/zinc/97/14/80/1040971480.db2.gz UXUDDLGNBORHDG-FYZZASKESA-N 2 1 339.527 4.205 20 30 EIEDMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540708468 1041608138 /nfs/dbraw/zinc/60/81/38/1041608138.db2.gz WVHUJVNJPJGBAL-IXDOHACOSA-N 2 1 331.479 4.106 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173398532 1042569906 /nfs/dbraw/zinc/56/99/06/1042569906.db2.gz KDAFCXKWIDMQQO-CQSZACIVSA-N 2 1 326.406 4.397 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246363842 1044298677 /nfs/dbraw/zinc/29/86/77/1044298677.db2.gz LOBXDCMLUVXNRD-WSTZPKSXSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246363842 1044298680 /nfs/dbraw/zinc/29/86/80/1044298680.db2.gz LOBXDCMLUVXNRD-WSTZPKSXSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246363842 1044298700 /nfs/dbraw/zinc/29/87/00/1044298700.db2.gz LOBXDCMLUVXNRD-WSTZPKSXSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246363842 1044298719 /nfs/dbraw/zinc/29/87/19/1044298719.db2.gz LOBXDCMLUVXNRD-WSTZPKSXSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093844597 1044856881 /nfs/dbraw/zinc/85/68/81/1044856881.db2.gz CBQVUOGVTVXRKV-INIZCTEOSA-N 2 1 331.529 4.096 20 30 EIEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392046 1045297858 /nfs/dbraw/zinc/29/78/58/1045297858.db2.gz JHFDIASADIXZGQ-QFIPXVFZSA-N 2 1 333.479 4.177 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272704109 1045809351 /nfs/dbraw/zinc/80/93/51/1045809351.db2.gz TVEABYPYRCTFKZ-HDMKZQKVSA-N 2 1 329.463 4.001 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000536999172 1046891404 /nfs/dbraw/zinc/89/14/04/1046891404.db2.gz AZQPJWAIDUMPIF-SFHVURJKSA-N 2 1 349.316 4.067 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001171231421 1048871368 /nfs/dbraw/zinc/87/13/68/1048871368.db2.gz JNURGGNTTGKDTO-SFHVURJKSA-N 2 1 339.527 4.218 20 30 EIEDMP C=CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136920032 1049551550 /nfs/dbraw/zinc/55/15/50/1049551550.db2.gz BGFACTOMZMTIDF-UHFFFAOYSA-N 2 1 326.406 4.178 20 30 EIEDMP C=CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136920032 1049551564 /nfs/dbraw/zinc/55/15/64/1049551564.db2.gz BGFACTOMZMTIDF-UHFFFAOYSA-N 2 1 326.406 4.178 20 30 EIEDMP CC(C)(CCC#N)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000813790142 1049817778 /nfs/dbraw/zinc/81/77/78/1049817778.db2.gz JFILZCYPHXUSCS-SEJPIABJSA-N 2 1 339.527 4.492 20 30 EIEDMP CC1(C)C[C@@H]([NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[N@@H+]1Cc1ccccc1 ZINC001171989149 1049831560 /nfs/dbraw/zinc/83/15/60/1049831560.db2.gz YTVLDBAZAQGIMU-BURNTYAHSA-N 2 1 337.511 4.196 20 30 EIEDMP CC1(C)C[C@@H]([NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[N@H+]1Cc1ccccc1 ZINC001171989149 1049831562 /nfs/dbraw/zinc/83/15/62/1049831562.db2.gz YTVLDBAZAQGIMU-BURNTYAHSA-N 2 1 337.511 4.196 20 30 EIEDMP CC1(C)C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH+]1Cc1ccccc1 ZINC001171989149 1049831565 /nfs/dbraw/zinc/83/15/65/1049831565.db2.gz YTVLDBAZAQGIMU-BURNTYAHSA-N 2 1 337.511 4.196 20 30 EIEDMP CC1(C)C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH+]1Cc1ccccc1 ZINC001171989149 1049831569 /nfs/dbraw/zinc/83/15/69/1049831569.db2.gz YTVLDBAZAQGIMU-BURNTYAHSA-N 2 1 337.511 4.196 20 30 EIEDMP CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC001171982487 1049838907 /nfs/dbraw/zinc/83/89/07/1049838907.db2.gz JAJFRXQDGKFMKA-QGZVFWFLSA-N 2 1 339.508 4.153 20 30 EIEDMP CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC001171982487 1049838912 /nfs/dbraw/zinc/83/89/12/1049838912.db2.gz JAJFRXQDGKFMKA-QGZVFWFLSA-N 2 1 339.508 4.153 20 30 EIEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171983006 1049839304 /nfs/dbraw/zinc/83/93/04/1049839304.db2.gz LVJSDHGWZQAJHC-QFIPXVFZSA-N 2 1 332.491 4.201 20 30 EIEDMP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987151 1049840432 /nfs/dbraw/zinc/84/04/32/1049840432.db2.gz PTOWCRROITUNQD-JOCHJYFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171987151 1049840435 /nfs/dbraw/zinc/84/04/35/1049840435.db2.gz PTOWCRROITUNQD-JOCHJYFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987151 1049840438 /nfs/dbraw/zinc/84/04/38/1049840438.db2.gz PTOWCRROITUNQD-JOCHJYFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987151 1049840440 /nfs/dbraw/zinc/84/04/40/1049840440.db2.gz PTOWCRROITUNQD-JOCHJYFZSA-N 2 1 347.506 4.433 20 30 EIEDMP N#CC[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075029 1049844216 /nfs/dbraw/zinc/84/42/16/1049844216.db2.gz NLPUCYDBKZPCRR-YUMYIRISSA-N 2 1 337.511 4.198 20 30 EIEDMP N#CC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075029 1049844218 /nfs/dbraw/zinc/84/42/18/1049844218.db2.gz NLPUCYDBKZPCRR-YUMYIRISSA-N 2 1 337.511 4.198 20 30 EIEDMP N#CC[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075029 1049844222 /nfs/dbraw/zinc/84/42/22/1049844222.db2.gz NLPUCYDBKZPCRR-YUMYIRISSA-N 2 1 337.511 4.198 20 30 EIEDMP C[C@H](CCCC#N)[N@@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001172482917 1049909656 /nfs/dbraw/zinc/90/96/56/1049909656.db2.gz AXFSETKGZZBCGX-SREGSLNRSA-N 2 1 325.500 4.197 20 30 EIEDMP CC[C@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173268727 1050389651 /nfs/dbraw/zinc/38/96/51/1050389651.db2.gz CFQCWGLJCNKHQJ-FIRPJDEBSA-N 2 1 325.500 4.209 20 30 EIEDMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336611 1050424553 /nfs/dbraw/zinc/42/45/53/1050424553.db2.gz GJFAFIANEFIPDP-UHFFFAOYSA-N 2 1 343.490 4.194 20 30 EIEDMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336611 1050424565 /nfs/dbraw/zinc/42/45/65/1050424565.db2.gz GJFAFIANEFIPDP-UHFFFAOYSA-N 2 1 343.490 4.194 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618801684 1050520497 /nfs/dbraw/zinc/52/04/97/1050520497.db2.gz BRJLGPRUFGRRIB-AMHTUMDSSA-N 2 1 345.490 4.046 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000153049963 1050941782 /nfs/dbraw/zinc/94/17/82/1050941782.db2.gz UBCUXUWYQJBBAJ-CQSZACIVSA-N 2 1 342.405 4.276 20 30 EIEDMP C=CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194346 1051495504 /nfs/dbraw/zinc/49/55/04/1051495504.db2.gz XJQZDDHYOHQRBV-KAOXLYBCSA-N 2 1 347.506 4.484 20 30 EIEDMP CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000386042716 1053572406 /nfs/dbraw/zinc/57/24/06/1053572406.db2.gz ZZDBJQRFTYVLPH-LEWJYISDSA-N 2 1 339.527 4.160 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000386042716 1053572416 /nfs/dbraw/zinc/57/24/16/1053572416.db2.gz ZZDBJQRFTYVLPH-LEWJYISDSA-N 2 1 339.527 4.160 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000386042716 1053572429 /nfs/dbraw/zinc/57/24/29/1053572429.db2.gz ZZDBJQRFTYVLPH-LEWJYISDSA-N 2 1 339.527 4.160 20 30 EIEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000123924866 1054363386 /nfs/dbraw/zinc/36/33/86/1054363386.db2.gz SLMNCDZAJLITES-SFHVURJKSA-N 2 1 336.479 4.001 20 30 EIEDMP CCCCCCCCC[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201840211 1054935017 /nfs/dbraw/zinc/93/50/17/1054935017.db2.gz WXISGDQONZKGDV-UHFFFAOYSA-N 2 1 346.563 4.088 20 30 EIEDMP CCCCCCCCCC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001201874859 1054941286 /nfs/dbraw/zinc/94/12/86/1054941286.db2.gz JNKGSBCLFZWDFP-UHFFFAOYSA-N 2 1 337.596 4.087 20 30 EIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001168602707 1055106231 /nfs/dbraw/zinc/10/62/31/1055106231.db2.gz VXJWKIAZXFQBPA-HBMCJLEFSA-N 2 1 327.516 4.294 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176947881 1020938551 /nfs/dbraw/zinc/93/85/51/1020938551.db2.gz ZYXIHLYSUMPRHO-MRXNPFEDSA-N 2 1 339.508 4.284 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177685381 1021442175 /nfs/dbraw/zinc/44/21/75/1021442175.db2.gz IAYKDBICOQCFAU-MRXNPFEDSA-N 2 1 339.508 4.284 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510729570 1024354000 /nfs/dbraw/zinc/35/40/00/1024354000.db2.gz DNNMWZJBJDPESU-SFHVURJKSA-N 2 1 349.316 4.067 20 30 EIEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000341759029 1024617169 /nfs/dbraw/zinc/61/71/69/1024617169.db2.gz SXRPBYDNELEVPO-HSZRJFAPSA-N 2 1 345.490 4.190 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187689110 1025095856 /nfs/dbraw/zinc/09/58/56/1025095856.db2.gz RIXDLCPGFLEXPG-RXVVDRJESA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187689110 1025095865 /nfs/dbraw/zinc/09/58/65/1025095865.db2.gz RIXDLCPGFLEXPG-RXVVDRJESA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187689110 1025095874 /nfs/dbraw/zinc/09/58/74/1025095874.db2.gz RIXDLCPGFLEXPG-RXVVDRJESA-N 2 1 333.479 4.073 20 30 EIEDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237906 1026388630 /nfs/dbraw/zinc/38/86/30/1026388630.db2.gz FJEQXORTBCZGMF-HSZRJFAPSA-N 2 1 345.490 4.143 20 30 EIEDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237906 1026388644 /nfs/dbraw/zinc/38/86/44/1026388644.db2.gz FJEQXORTBCZGMF-HSZRJFAPSA-N 2 1 345.490 4.143 20 30 EIEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237906 1026388658 /nfs/dbraw/zinc/38/86/58/1026388658.db2.gz FJEQXORTBCZGMF-HSZRJFAPSA-N 2 1 345.490 4.143 20 30 EIEDMP CC(C)[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCCC1 ZINC000507645266 1026864281 /nfs/dbraw/zinc/86/42/81/1026864281.db2.gz QMJCDTYPIXAMML-ORFBVSJDSA-N 2 1 339.527 4.101 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187977858 1026912879 /nfs/dbraw/zinc/91/28/79/1026912879.db2.gz HIGVKLLARIUCKM-IBGZPJMESA-N 2 1 346.540 4.252 20 30 EIEDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870664 1027373449 /nfs/dbraw/zinc/37/34/49/1027373449.db2.gz CACCXRNOGYFKDT-QGZVFWFLSA-N 2 1 344.462 4.471 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](CCn2cc[nH+]c2C)C(C)(C)C)cc1 ZINC000346303948 1028375650 /nfs/dbraw/zinc/37/56/50/1028375650.db2.gz GNJZKEFTYQABBU-UHFFFAOYSA-N 2 1 327.472 4.057 20 30 EIEDMP C=CCOc1ccc(C[N@H+](CCn2cc[nH+]c2C)C(C)(C)C)cc1 ZINC000346303948 1028375672 /nfs/dbraw/zinc/37/56/72/1028375672.db2.gz GNJZKEFTYQABBU-UHFFFAOYSA-N 2 1 327.472 4.057 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000152999282 1029377884 /nfs/dbraw/zinc/37/78/84/1029377884.db2.gz RSHMGTPRVGWQKQ-CQSZACIVSA-N 2 1 326.406 4.397 20 30 EIEDMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447522044 1030118352 /nfs/dbraw/zinc/11/83/52/1030118352.db2.gz XRRWHYPRRDAURT-JOCHJYFZSA-N 2 1 333.479 4.264 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1cccc(C#N)c1 ZINC000610830127 1031036204 /nfs/dbraw/zinc/03/62/04/1031036204.db2.gz FVCYRMCAJDIJMM-WWMYMODYSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396088 1031047448 /nfs/dbraw/zinc/04/74/48/1031047448.db2.gz HHJCNYAXSVPKHY-GOSISDBHSA-N 2 1 348.494 4.253 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000532465331 1031120110 /nfs/dbraw/zinc/12/01/10/1031120110.db2.gz YVUUJOHROUJZFL-CBGDNZLLSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000532465342 1031125229 /nfs/dbraw/zinc/12/52/29/1031125229.db2.gz YVUUJOHROUJZFL-LZJOCLMNSA-N 2 1 325.500 4.252 20 30 EIEDMP N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000532581792 1031314458 /nfs/dbraw/zinc/31/44/58/1031314458.db2.gz NBXQBAXARGMQHK-FQEVSTJZSA-N 2 1 345.490 4.143 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000449073714 1031428547 /nfs/dbraw/zinc/42/85/47/1031428547.db2.gz NSJSLHVQQWPWIB-OALUTQOASA-N 2 1 347.506 4.304 20 30 EIEDMP N#CC1(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCC1 ZINC000411669849 1034038999 /nfs/dbraw/zinc/03/89/99/1034038999.db2.gz KLCVEZDNXAWMAV-UHFFFAOYSA-N 2 1 340.515 4.263 20 30 EIEDMP Cc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000614402555 1034550830 /nfs/dbraw/zinc/55/08/30/1034550830.db2.gz JEKWDPQLTAMVDT-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000614402555 1034550839 /nfs/dbraw/zinc/55/08/39/1034550839.db2.gz JEKWDPQLTAMVDT-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000614402555 1034550842 /nfs/dbraw/zinc/55/08/42/1034550842.db2.gz JEKWDPQLTAMVDT-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000614402555 1034550851 /nfs/dbraw/zinc/55/08/51/1034550851.db2.gz JEKWDPQLTAMVDT-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000614402555 1034550861 /nfs/dbraw/zinc/55/08/61/1034550861.db2.gz JEKWDPQLTAMVDT-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000614402555 1034550870 /nfs/dbraw/zinc/55/08/70/1034550870.db2.gz JEKWDPQLTAMVDT-AUSIDOKSSA-N 2 1 347.506 4.352 20 30 EIEDMP C[C@@H](CCC#N)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596592268 1035907590 /nfs/dbraw/zinc/90/75/90/1035907590.db2.gz LVELMNHANVKZRE-RXVVDRJESA-N 2 1 339.527 4.301 20 30 EIEDMP CC1(C)C[N@@H+](CCCCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593688 1035909588 /nfs/dbraw/zinc/90/95/88/1035909588.db2.gz GZKWWESBFHIGQR-NRFANRHFSA-N 2 1 339.527 4.303 20 30 EIEDMP CC1(C)C[N@@H+](CCCCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593691 1035910060 /nfs/dbraw/zinc/91/00/60/1035910060.db2.gz GZKWWESBFHIGQR-OAQYLSRUSA-N 2 1 339.527 4.303 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701665 1036576128 /nfs/dbraw/zinc/57/61/28/1036576128.db2.gz WRQQJHKYIJTPMS-JTHBVZDNSA-N 2 1 345.490 4.210 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701665 1036576145 /nfs/dbraw/zinc/57/61/45/1036576145.db2.gz WRQQJHKYIJTPMS-JTHBVZDNSA-N 2 1 345.490 4.210 20 30 EIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336709 1036737719 /nfs/dbraw/zinc/73/77/19/1036737719.db2.gz FKVNNNXAWZCWQG-QFIPXVFZSA-N 2 1 333.479 4.176 20 30 EIEDMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000509448742 1039408241 /nfs/dbraw/zinc/40/82/41/1039408241.db2.gz ASMSYRYWYRCPBN-QFIPXVFZSA-N 2 1 347.506 4.257 20 30 EIEDMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000509448742 1039408260 /nfs/dbraw/zinc/40/82/60/1039408260.db2.gz ASMSYRYWYRCPBN-QFIPXVFZSA-N 2 1 347.506 4.257 20 30 EIEDMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000480675928 1041466345 /nfs/dbraw/zinc/46/63/45/1041466345.db2.gz NELOGNZCPYZQBK-KPQWGBOZSA-N 2 1 339.527 4.245 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000271930940 1042524857 /nfs/dbraw/zinc/52/48/57/1042524857.db2.gz IEJYXGAZQQCMGO-OAHLLOKOSA-N 2 1 329.463 4.145 20 30 EIEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1 ZINC001168001419 1042851972 /nfs/dbraw/zinc/85/19/72/1042851972.db2.gz YFVUCTGMOGPQDQ-LJQANCHMSA-N 2 1 338.430 4.180 20 30 EIEDMP N#C[C@@H]1CC[C@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000442770647 1043838258 /nfs/dbraw/zinc/83/82/58/1043838258.db2.gz RWZULLWANBWTOY-PKTZIBPZSA-N 2 1 347.506 4.361 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000118399931 1044666918 /nfs/dbraw/zinc/66/69/18/1044666918.db2.gz LOBXDCMLUVXNRD-HBFSDRIKSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000118399931 1044666930 /nfs/dbraw/zinc/66/69/30/1044666930.db2.gz LOBXDCMLUVXNRD-HBFSDRIKSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000118399931 1044666938 /nfs/dbraw/zinc/66/69/38/1044666938.db2.gz LOBXDCMLUVXNRD-HBFSDRIKSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000118399931 1044666943 /nfs/dbraw/zinc/66/69/43/1044666943.db2.gz LOBXDCMLUVXNRD-HBFSDRIKSA-N 2 1 325.500 4.206 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000236690020 1045363163 /nfs/dbraw/zinc/36/31/63/1045363163.db2.gz BHUHNLWKLMIUKG-UHFFFAOYSA-N 2 1 346.824 4.489 20 30 EIEDMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000556599463 1047835159 /nfs/dbraw/zinc/83/51/59/1047835159.db2.gz SBCOQGAKODXXPU-LAUBAEHRSA-N 2 1 337.511 4.180 20 30 EIEDMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141150 1048343356 /nfs/dbraw/zinc/34/33/56/1048343356.db2.gz ZHNGJIZRQIZRED-KEIZBESESA-N 2 1 345.490 4.404 20 30 EIEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171197850 1048730728 /nfs/dbraw/zinc/73/07/28/1048730728.db2.gz DJHINIDQOVGVIO-VDGAXYAQSA-N 2 1 327.516 4.107 20 30 EIEDMP C#CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000773115690 1049585478 /nfs/dbraw/zinc/58/54/78/1049585478.db2.gz OENTVBMBRDTOCX-PMOQBDJRSA-N 2 1 332.491 4.394 20 30 EIEDMP C#CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000773115690 1049585486 /nfs/dbraw/zinc/58/54/86/1049585486.db2.gz OENTVBMBRDTOCX-PMOQBDJRSA-N 2 1 332.491 4.394 20 30 EIEDMP C#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172073600 1049844037 /nfs/dbraw/zinc/84/40/37/1049844037.db2.gz SADLUBRYZHTBSG-BKFWDETESA-N 2 1 344.502 4.343 20 30 EIEDMP CC[C@H](CC(C)C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172403011 1049899359 /nfs/dbraw/zinc/89/93/59/1049899359.db2.gz YEZWDQDDYROGMT-NJDAHSKKSA-N 2 1 327.516 4.455 20 30 EIEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001172496498 1049922044 /nfs/dbraw/zinc/92/20/44/1049922044.db2.gz NAVTXZMJALPLAJ-PKOBYXMFSA-N 2 1 329.488 4.038 20 30 EIEDMP C[C@@H](CCCC#N)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001172507057 1049925438 /nfs/dbraw/zinc/92/54/38/1049925438.db2.gz OHKLCGRRCTXZMM-IBGZPJMESA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248859618 1050081012 /nfs/dbraw/zinc/08/10/12/1050081012.db2.gz PPRCWTFKJJPZNS-DBXWQHBBSA-N 2 1 325.500 4.233 20 30 EIEDMP N#CCC1CCC([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173337324 1050427942 /nfs/dbraw/zinc/42/79/42/1050427942.db2.gz HKHPMPIJGDVCSH-KITAHSCOSA-N 2 1 337.511 4.057 20 30 EIEDMP N#CCC1CCC([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173337324 1050427952 /nfs/dbraw/zinc/42/79/52/1050427952.db2.gz HKHPMPIJGDVCSH-KITAHSCOSA-N 2 1 337.511 4.057 20 30 EIEDMP N#CCC1CCC([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173337324 1050427963 /nfs/dbraw/zinc/42/79/63/1050427963.db2.gz HKHPMPIJGDVCSH-KITAHSCOSA-N 2 1 337.511 4.057 20 30 EIEDMP C=CCOC1CCC([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173318905 1050441841 /nfs/dbraw/zinc/44/18/41/1050441841.db2.gz PJJGZIHLNVGXKX-IJDVVPKISA-N 2 1 342.527 4.272 20 30 EIEDMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755882 1050884531 /nfs/dbraw/zinc/88/45/31/1050884531.db2.gz XLOWKFXNPPUHAU-FOIQADDNSA-N 2 1 345.918 4.344 20 30 EIEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000152952662 1050907269 /nfs/dbraw/zinc/90/72/69/1050907269.db2.gz DHBSLJZBLZWDPB-AWEZNQCLSA-N 2 1 342.405 4.276 20 30 EIEDMP C=CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194343 1051495132 /nfs/dbraw/zinc/49/51/32/1051495132.db2.gz XJQZDDHYOHQRBV-BJESRGMDSA-N 2 1 347.506 4.484 20 30 EIEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001182325968 1051499776 /nfs/dbraw/zinc/49/97/76/1051499776.db2.gz DLMFLJIWVAMZIM-QHCPKHFHSA-N 2 1 334.507 4.428 20 30 EIEDMP N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000072898029 1052621519 /nfs/dbraw/zinc/62/15/19/1052621519.db2.gz WORQPIXFNQWBKR-FGZHOGPDSA-N 2 1 342.446 4.144 20 30 EIEDMP N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000072898029 1052621520 /nfs/dbraw/zinc/62/15/20/1052621520.db2.gz WORQPIXFNQWBKR-FGZHOGPDSA-N 2 1 342.446 4.144 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177313747 1052676828 /nfs/dbraw/zinc/67/68/28/1052676828.db2.gz VZUJRZKMFCYYEL-CQSZACIVSA-N 2 1 337.305 4.140 20 30 EIEDMP CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000386042717 1053573455 /nfs/dbraw/zinc/57/34/55/1053573455.db2.gz ZZDBJQRFTYVLPH-NHCUHLMSSA-N 2 1 339.527 4.160 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000386042717 1053573465 /nfs/dbraw/zinc/57/34/65/1053573465.db2.gz ZZDBJQRFTYVLPH-NHCUHLMSSA-N 2 1 339.527 4.160 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000386042717 1053573469 /nfs/dbraw/zinc/57/34/69/1053573469.db2.gz ZZDBJQRFTYVLPH-NHCUHLMSSA-N 2 1 339.527 4.160 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2cncc3ccccc32)CC1 ZINC000866261028 1053667824 /nfs/dbraw/zinc/66/78/24/1053667824.db2.gz NCOMLDYDDLLNKF-SFHVURJKSA-N 2 1 337.511 4.186 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)C1 ZINC000921528787 1053700765 /nfs/dbraw/zinc/70/07/65/1053700765.db2.gz IXHARXQBHVNUNS-INIZCTEOSA-N 2 1 339.508 4.141 20 30 EIEDMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143459 1054423149 /nfs/dbraw/zinc/42/31/49/1054423149.db2.gz KNZGRWFTSDDRMU-QGZVFWFLSA-N 2 1 339.508 4.249 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282193918 1054533783 /nfs/dbraw/zinc/53/37/83/1054533783.db2.gz WTKLAXFKOWSGFT-QFBILLFUSA-N 2 1 334.467 4.032 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000876940032 1054987101 /nfs/dbraw/zinc/98/71/01/1054987101.db2.gz OOISSKXFDAXLSJ-IFMALSPDSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000876940032 1054987112 /nfs/dbraw/zinc/98/71/12/1054987112.db2.gz OOISSKXFDAXLSJ-IFMALSPDSA-N 2 1 331.463 4.016 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474704353 1055993749 /nfs/dbraw/zinc/99/37/49/1055993749.db2.gz AEWUPWSGYFMIBL-QQFBHYJXSA-N 2 1 332.454 4.374 20 30 EIEDMP CC(C)(CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000174376579 1022064503 /nfs/dbraw/zinc/06/45/03/1022064503.db2.gz YGDKIAZVVRTRDG-IHWFROFDSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000175911095 1022499874 /nfs/dbraw/zinc/49/98/74/1022499874.db2.gz FDAGEZYTDIAHIR-NPPFBWRTSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000175911095 1022499888 /nfs/dbraw/zinc/49/98/88/1022499888.db2.gz FDAGEZYTDIAHIR-NPPFBWRTSA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H](NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444915 1022823265 /nfs/dbraw/zinc/82/32/65/1022823265.db2.gz YVRNDROJHKWWTN-RYRKJORJSA-N 2 1 339.508 4.181 20 30 EIEDMP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444915 1022823270 /nfs/dbraw/zinc/82/32/70/1022823270.db2.gz YVRNDROJHKWWTN-RYRKJORJSA-N 2 1 339.508 4.181 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181762621 1024254213 /nfs/dbraw/zinc/25/42/13/1024254213.db2.gz BOGVICOLLYVZKM-QZTJIDSGSA-N 2 1 333.479 4.434 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187724014 1026300134 /nfs/dbraw/zinc/30/01/34/1026300134.db2.gz CFYGOXWLAKNLBE-SFHVURJKSA-N 2 1 348.494 4.253 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244661 1026569778 /nfs/dbraw/zinc/56/97/78/1026569778.db2.gz OSYJFAOBMLPHBW-AUSIDOKSSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244661 1026569785 /nfs/dbraw/zinc/56/97/85/1026569785.db2.gz OSYJFAOBMLPHBW-AUSIDOKSSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244661 1026569797 /nfs/dbraw/zinc/56/97/97/1026569797.db2.gz OSYJFAOBMLPHBW-AUSIDOKSSA-N 2 1 345.490 4.217 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244661 1026569806 /nfs/dbraw/zinc/56/98/06/1026569806.db2.gz OSYJFAOBMLPHBW-AUSIDOKSSA-N 2 1 345.490 4.217 20 30 EIEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512279578 1026644730 /nfs/dbraw/zinc/64/47/30/1026644730.db2.gz FXRVEYYQYTURET-MRXNPFEDSA-N 2 1 339.458 4.388 20 30 EIEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000237483277 1027235772 /nfs/dbraw/zinc/23/57/72/1027235772.db2.gz TYYPNTWKMVOWMM-IBGZPJMESA-N 2 1 348.490 4.014 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000474707821 1027425345 /nfs/dbraw/zinc/42/53/45/1027425345.db2.gz KOBRBWASVAOYKX-UHFFFAOYSA-N 2 1 340.433 4.268 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053325 1029156907 /nfs/dbraw/zinc/15/69/07/1029156907.db2.gz NSVGKQCQMCINNC-BBIADKPPSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053325 1029156920 /nfs/dbraw/zinc/15/69/20/1029156920.db2.gz NSVGKQCQMCINNC-BBIADKPPSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053325 1029156928 /nfs/dbraw/zinc/15/69/28/1029156928.db2.gz NSVGKQCQMCINNC-BBIADKPPSA-N 2 1 347.506 4.432 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053325 1029156935 /nfs/dbraw/zinc/15/69/35/1029156935.db2.gz NSVGKQCQMCINNC-BBIADKPPSA-N 2 1 347.506 4.432 20 30 EIEDMP C=CCCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000449120293 1031457526 /nfs/dbraw/zinc/45/75/26/1031457526.db2.gz CJOMZUUOLXZPFM-INIZCTEOSA-N 2 1 333.520 4.228 20 30 EIEDMP C=CCCSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000595060166 1035542111 /nfs/dbraw/zinc/54/21/11/1035542111.db2.gz SZDMKMRSWZEFPG-OWZKRDHZSA-N 2 1 330.541 4.081 20 30 EIEDMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602518889 1036473537 /nfs/dbraw/zinc/47/35/37/1036473537.db2.gz SFHKKVTWEKYINR-UHFFFAOYSA-N 2 1 348.494 4.008 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602515121 1036474576 /nfs/dbraw/zinc/47/45/76/1036474576.db2.gz MXFJJSPPBLSWPE-XPQZIERPSA-N 2 1 325.500 4.090 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508029 1036484096 /nfs/dbraw/zinc/48/40/96/1036484096.db2.gz KWQYTAAKHLJOBL-RBBKRZOGSA-N 2 1 331.463 4.016 20 30 EIEDMP N#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508029 1036484110 /nfs/dbraw/zinc/48/41/10/1036484110.db2.gz KWQYTAAKHLJOBL-RBBKRZOGSA-N 2 1 331.463 4.016 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300650 1036723741 /nfs/dbraw/zinc/72/37/41/1036723741.db2.gz WCSIRDVCNIAGQQ-YFXJRYMSSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300650 1036723757 /nfs/dbraw/zinc/72/37/57/1036723757.db2.gz WCSIRDVCNIAGQQ-YFXJRYMSSA-N 2 1 345.490 4.073 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300650 1036723776 /nfs/dbraw/zinc/72/37/76/1036723776.db2.gz WCSIRDVCNIAGQQ-YFXJRYMSSA-N 2 1 345.490 4.073 20 30 EIEDMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000509448736 1039407532 /nfs/dbraw/zinc/40/75/32/1039407532.db2.gz ASMSYRYWYRCPBN-JOCHJYFZSA-N 2 1 347.506 4.257 20 30 EIEDMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000509448736 1039407546 /nfs/dbraw/zinc/40/75/46/1039407546.db2.gz ASMSYRYWYRCPBN-JOCHJYFZSA-N 2 1 347.506 4.257 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1Cl ZINC000539817154 1040811772 /nfs/dbraw/zinc/81/17/72/1040811772.db2.gz BERGQBFFBRBOIN-NVXWUHKLSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1Cl ZINC000539817154 1040811779 /nfs/dbraw/zinc/81/17/79/1040811779.db2.gz BERGQBFFBRBOIN-NVXWUHKLSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1Cl ZINC000539817154 1040811788 /nfs/dbraw/zinc/81/17/88/1040811788.db2.gz BERGQBFFBRBOIN-NVXWUHKLSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1Cl ZINC000539817154 1040811792 /nfs/dbraw/zinc/81/17/92/1040811792.db2.gz BERGQBFFBRBOIN-NVXWUHKLSA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1Cl ZINC000539817158 1040812831 /nfs/dbraw/zinc/81/28/31/1040812831.db2.gz BERGQBFFBRBOIN-WBVHZDCISA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1Cl ZINC000539817158 1040812839 /nfs/dbraw/zinc/81/28/39/1040812839.db2.gz BERGQBFFBRBOIN-WBVHZDCISA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1Cl ZINC000539817158 1040812849 /nfs/dbraw/zinc/81/28/49/1040812849.db2.gz BERGQBFFBRBOIN-WBVHZDCISA-N 2 1 336.907 4.209 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1Cl ZINC000539817158 1040812852 /nfs/dbraw/zinc/81/28/52/1040812852.db2.gz BERGQBFFBRBOIN-WBVHZDCISA-N 2 1 336.907 4.209 20 30 EIEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1)CC1CC1 ZINC000484054918 1041099284 /nfs/dbraw/zinc/09/92/84/1041099284.db2.gz GMEBZHSDJYEXNF-UHFFFAOYSA-N 2 1 343.490 4.031 20 30 EIEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000463285026 1041475667 /nfs/dbraw/zinc/47/56/67/1041475667.db2.gz SKKVPNVUPRWQKG-VQQMMKBISA-N 2 1 339.527 4.336 20 30 EIEDMP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708108 1041607602 /nfs/dbraw/zinc/60/76/02/1041607602.db2.gz SYENMJCCLNFJRQ-DLBZAZTESA-N 2 1 339.458 4.259 20 30 EIEDMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708108 1041607606 /nfs/dbraw/zinc/60/76/06/1041607606.db2.gz SYENMJCCLNFJRQ-DLBZAZTESA-N 2 1 339.458 4.259 20 30 EIEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000464770628 1042149080 /nfs/dbraw/zinc/14/90/80/1042149080.db2.gz BQQWDKYNJPYEQP-HXUWFJFHSA-N 2 1 347.506 4.389 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860779 1042205237 /nfs/dbraw/zinc/20/52/37/1042205237.db2.gz ZUUOMNODECWWKM-WIYYLYMNSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860779 1042205243 /nfs/dbraw/zinc/20/52/43/1042205243.db2.gz ZUUOMNODECWWKM-WIYYLYMNSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860779 1042205251 /nfs/dbraw/zinc/20/52/51/1042205251.db2.gz ZUUOMNODECWWKM-WIYYLYMNSA-N 2 1 333.479 4.073 20 30 EIEDMP C(#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)c1ccccc1 ZINC001168004335 1042916505 /nfs/dbraw/zinc/91/65/05/1042916505.db2.gz SYIISOLTJBMKER-VSGJHWFKSA-N 2 1 348.534 4.156 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121621 1043106363 /nfs/dbraw/zinc/10/63/63/1043106363.db2.gz PIPSQCOHGUBJDZ-UHFFFAOYSA-N 2 1 344.833 4.072 20 30 EIEDMP C=CCOc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521817157 1044005884 /nfs/dbraw/zinc/00/58/84/1044005884.db2.gz YUBCYLAWZNZIES-KDURUIRLSA-N 2 1 330.516 4.099 20 30 EIEDMP C#Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019153 1044337621 /nfs/dbraw/zinc/33/76/21/1044337621.db2.gz GXJFUHYOFPBQNU-BBIADKPPSA-N 2 1 332.491 4.199 20 30 EIEDMP C[C@H]1CC([NH2+]Cc2ccc(C#N)s2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168021540 1044437813 /nfs/dbraw/zinc/43/78/13/1044437813.db2.gz PWLILTROYJQQIJ-HOTGVXAUSA-N 2 1 339.508 4.151 20 30 EIEDMP C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168021585 1044444731 /nfs/dbraw/zinc/44/47/31/1044444731.db2.gz QKHOVNWRVYSUSQ-BBIADKPPSA-N 2 1 332.491 4.199 20 30 EIEDMP C[C@@H]1C[C@@H](NCc2csc(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034567 1044952424 /nfs/dbraw/zinc/95/24/24/1044952424.db2.gz QPZKKQJJYJMCAK-HGKCTWBKSA-N 2 1 339.508 4.151 20 30 EIEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390739 1045297515 /nfs/dbraw/zinc/29/75/15/1045297515.db2.gz RIPKCLOIGFIXEO-UWJYYQICSA-N 2 1 325.500 4.037 20 30 EIEDMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715719 1049703933 /nfs/dbraw/zinc/70/39/33/1049703933.db2.gz XQUJAANLTBSXSE-TZMOSPSESA-N 2 1 345.490 4.262 20 30 EIEDMP Cc1ccc(C(=[NH2+])N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1C ZINC001171980104 1049838471 /nfs/dbraw/zinc/83/84/71/1049838471.db2.gz SMJURYFACOTPRE-NRFANRHFSA-N 2 1 349.522 4.452 20 30 EIEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172064887 1049851865 /nfs/dbraw/zinc/85/18/65/1049851865.db2.gz IARXKJOPRGOCHP-WBDAEOGXSA-N 2 1 345.490 4.234 20 30 EIEDMP CC(C)(CCC#N)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246437882 1049973576 /nfs/dbraw/zinc/97/35/76/1049973576.db2.gz NFECZAHYKNSFAD-LEWJYISDSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246437882 1049973583 /nfs/dbraw/zinc/97/35/83/1049973583.db2.gz NFECZAHYKNSFAD-LEWJYISDSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246437882 1049973588 /nfs/dbraw/zinc/97/35/88/1049973588.db2.gz NFECZAHYKNSFAD-LEWJYISDSA-N 2 1 339.527 4.303 20 30 EIEDMP CC[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271417 1050392533 /nfs/dbraw/zinc/39/25/33/1050392533.db2.gz QGDNXDUKCFUTQF-QYRPDUKASA-N 2 1 325.500 4.209 20 30 EIEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001173327709 1050420346 /nfs/dbraw/zinc/42/03/46/1050420346.db2.gz HHNXGFPYLDMSLW-CZOVOBHWSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001173327709 1050420359 /nfs/dbraw/zinc/42/03/59/1050420359.db2.gz HHNXGFPYLDMSLW-CZOVOBHWSA-N 2 1 325.500 4.102 20 30 EIEDMP N#CCC1CCC([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001173335532 1050425549 /nfs/dbraw/zinc/42/55/49/1050425549.db2.gz PVLLACUGXSUVSX-UHFFFAOYSA-N 2 1 341.499 4.040 20 30 EIEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173319822 1050441093 /nfs/dbraw/zinc/44/10/93/1050441093.db2.gz XENBZQPSXUQCKH-ZXDFIECXSA-N 2 1 342.527 4.000 20 30 EIEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173319822 1050441106 /nfs/dbraw/zinc/44/11/06/1050441106.db2.gz XENBZQPSXUQCKH-ZXDFIECXSA-N 2 1 342.527 4.000 20 30 EIEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619465922 1050789107 /nfs/dbraw/zinc/78/91/07/1050789107.db2.gz HYVYPFDOSLLCMZ-OFNKIYASSA-N 2 1 345.490 4.047 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000743474571 1059026230 /nfs/dbraw/zinc/02/62/30/1059026230.db2.gz VMOWJSLEMJCMFV-QGZVFWFLSA-N 2 1 325.500 4.254 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065495 1022848512 /nfs/dbraw/zinc/84/85/12/1022848512.db2.gz XZENSHBJDREWAS-GHTZIAJQSA-N 2 1 333.479 4.121 20 30 EIEDMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220903 1026342667 /nfs/dbraw/zinc/34/26/67/1026342667.db2.gz LEEULMLEQGTQEH-GMAHTHKFSA-N 2 1 347.506 4.164 20 30 EIEDMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779949 1026546140 /nfs/dbraw/zinc/54/61/40/1026546140.db2.gz XYEGPCOCRAPGQP-GCJKJVERSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779949 1026546162 /nfs/dbraw/zinc/54/61/62/1026546162.db2.gz XYEGPCOCRAPGQP-GCJKJVERSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000562082608 1026756413 /nfs/dbraw/zinc/75/64/13/1026756413.db2.gz QIEFPVHLSVTHJD-OAOOKAIFSA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@H+]1Cc1ccccc1 ZINC000562082608 1026756426 /nfs/dbraw/zinc/75/64/26/1026756426.db2.gz QIEFPVHLSVTHJD-OAOOKAIFSA-N 2 1 345.490 4.188 20 30 EIEDMP CC(C)[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCCC1 ZINC000507645265 1026864023 /nfs/dbraw/zinc/86/40/23/1026864023.db2.gz QMJCDTYPIXAMML-ATKRNPRHSA-N 2 1 339.527 4.101 20 30 EIEDMP C[C@H]1CC([NH2+]Cc2cc(C#N)cs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039296 1027313295 /nfs/dbraw/zinc/31/32/95/1027313295.db2.gz CURXZBNPGLHZKU-HOTGVXAUSA-N 2 1 339.508 4.151 20 30 EIEDMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000449161094 1031500133 /nfs/dbraw/zinc/50/01/33/1031500133.db2.gz NSKOCFKNOVMGHE-ZJZKXORJSA-N 2 1 331.529 4.193 20 30 EIEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000449161094 1031500141 /nfs/dbraw/zinc/50/01/41/1031500141.db2.gz NSKOCFKNOVMGHE-ZJZKXORJSA-N 2 1 331.529 4.193 20 30 EIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453292663 1031811933 /nfs/dbraw/zinc/81/19/33/1031811933.db2.gz OGPIFXUJWUPIFG-XBJCXQGOSA-N 2 1 337.511 4.102 20 30 EIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924563 1038430144 /nfs/dbraw/zinc/43/01/44/1038430144.db2.gz JTVSSVBVNIFSAY-UHFFFAOYSA-N 2 1 347.506 4.372 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000476974202 1040075164 /nfs/dbraw/zinc/07/51/64/1040075164.db2.gz POLDMICNGGEMJH-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000476974202 1040075182 /nfs/dbraw/zinc/07/51/82/1040075182.db2.gz POLDMICNGGEMJH-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000476974202 1040075195 /nfs/dbraw/zinc/07/51/95/1040075195.db2.gz POLDMICNGGEMJH-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000482648915 1040407552 /nfs/dbraw/zinc/40/75/52/1040407552.db2.gz GGDWHFBWTMHTRL-GOSISDBHSA-N 2 1 330.516 4.413 20 30 EIEDMP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551560338 1040411065 /nfs/dbraw/zinc/41/10/65/1040411065.db2.gz RMQXTCDVSJCXCW-RXVVDRJESA-N 2 1 345.490 4.048 20 30 EIEDMP C(#Cc1ccccc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000484086508 1041119098 /nfs/dbraw/zinc/11/90/98/1041119098.db2.gz OTLJDQPHJPFFAY-UHFFFAOYSA-N 2 1 344.502 4.026 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccc(C#N)cc1 ZINC000541911740 1042167261 /nfs/dbraw/zinc/16/72/61/1042167261.db2.gz ALVBZDCOFZTJLZ-FIKGOQFSSA-N 2 1 325.500 4.252 20 30 EIEDMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000443992889 1042727560 /nfs/dbraw/zinc/72/75/60/1042727560.db2.gz HUGSPQDLUCFTTE-AZUAARDMSA-N 2 1 339.508 4.101 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000185779126 1043219521 /nfs/dbraw/zinc/21/95/21/1043219521.db2.gz IOTXUULZYLNZMI-JRGCBEDISA-N 2 1 325.500 4.090 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033840 1043587469 /nfs/dbraw/zinc/58/74/69/1043587469.db2.gz QDSFUIFNVZUQRT-HOIFWPIMSA-N 2 1 333.479 4.359 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033840 1043587493 /nfs/dbraw/zinc/58/74/93/1043587493.db2.gz QDSFUIFNVZUQRT-HOIFWPIMSA-N 2 1 333.479 4.359 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000521471444 1043797051 /nfs/dbraw/zinc/79/70/51/1043797051.db2.gz DRLTWGJCMBNPPI-FQEVSTJZSA-N 2 1 332.919 4.291 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154333323 1044773420 /nfs/dbraw/zinc/77/34/20/1044773420.db2.gz FONCZTOZRDXCHJ-HOTGVXAUSA-N 2 1 330.435 4.464 20 30 EIEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390737 1045297980 /nfs/dbraw/zinc/29/79/80/1045297980.db2.gz RIPKCLOIGFIXEO-LAUBAEHRSA-N 2 1 325.500 4.037 20 30 EIEDMP C=CCOc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000236673949 1045362866 /nfs/dbraw/zinc/36/28/66/1045362866.db2.gz WHBRRLHYHUGWHI-UHFFFAOYSA-N 2 1 328.500 4.138 20 30 EIEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000815652610 1048575921 /nfs/dbraw/zinc/57/59/21/1048575921.db2.gz JOSRHZCIMQVDSW-MRXNPFEDSA-N 2 1 341.524 4.033 20 30 EIEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000815652610 1048575931 /nfs/dbraw/zinc/57/59/31/1048575931.db2.gz JOSRHZCIMQVDSW-MRXNPFEDSA-N 2 1 341.524 4.033 20 30 EIEDMP C#CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000773115695 1049586878 /nfs/dbraw/zinc/58/68/78/1049586878.db2.gz OENTVBMBRDTOCX-VJBMBRPKSA-N 2 1 332.491 4.394 20 30 EIEDMP C#CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000773115695 1049586892 /nfs/dbraw/zinc/58/68/92/1049586892.db2.gz OENTVBMBRDTOCX-VJBMBRPKSA-N 2 1 332.491 4.394 20 30 EIEDMP CC1(C)C[C@H]([NH+]2CCC(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980083 1049838559 /nfs/dbraw/zinc/83/85/59/1049838559.db2.gz DAUWKHWDTQAFDE-HXUWFJFHSA-N 2 1 325.500 4.055 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303762 1049873862 /nfs/dbraw/zinc/87/38/62/1049873862.db2.gz DXNYXKTYYLSLIF-LRQRDZAKSA-N 2 1 325.500 4.004 20 30 EIEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001172305906 1049874098 /nfs/dbraw/zinc/87/40/98/1049874098.db2.gz VNNAPKQLODWMMS-IBGZPJMESA-N 2 1 347.506 4.134 20 30 EIEDMP C[C@H](CCCC#N)[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172508845 1049925201 /nfs/dbraw/zinc/92/52/01/1049925201.db2.gz HVWVJZZGSKXSEC-HXUWFJFHSA-N 2 1 339.527 4.447 20 30 EIEDMP CC[C@@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173268731 1050390067 /nfs/dbraw/zinc/39/00/67/1050390067.db2.gz CFQCWGLJCNKHQJ-OTNPHJDUSA-N 2 1 325.500 4.209 20 30 EIEDMP N#CCC1CCC([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173337325 1050428542 /nfs/dbraw/zinc/42/85/42/1050428542.db2.gz HKHPMPIJGDVCSH-VTLFHKLASA-N 2 1 337.511 4.057 20 30 EIEDMP N#CCC1CCC([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173337325 1050428545 /nfs/dbraw/zinc/42/85/45/1050428545.db2.gz HKHPMPIJGDVCSH-VTLFHKLASA-N 2 1 337.511 4.057 20 30 EIEDMP N#CCC1CCC([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173337325 1050428546 /nfs/dbraw/zinc/42/85/46/1050428546.db2.gz HKHPMPIJGDVCSH-VTLFHKLASA-N 2 1 337.511 4.057 20 30 EIEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001173319819 1050440448 /nfs/dbraw/zinc/44/04/48/1050440448.db2.gz XENBZQPSXUQCKH-DZVQBONVSA-N 2 1 342.527 4.000 20 30 EIEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001173319819 1050440455 /nfs/dbraw/zinc/44/04/55/1050440455.db2.gz XENBZQPSXUQCKH-DZVQBONVSA-N 2 1 342.527 4.000 20 30 EIEDMP C=CCOC1CCC([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317346 1050441705 /nfs/dbraw/zinc/44/17/05/1050441705.db2.gz GBMUREWPQFOSJO-GOHCJOFJSA-N 2 1 334.548 4.262 20 30 EIEDMP C#CC[C@@H]1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068929 1051903925 /nfs/dbraw/zinc/90/39/25/1051903925.db2.gz FLBQJGQXMCMCPF-QPPBQGQZSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CC[C@@H]1CC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068929 1051903930 /nfs/dbraw/zinc/90/39/30/1051903930.db2.gz FLBQJGQXMCMCPF-QPPBQGQZSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CC[C@@H]1CC[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068929 1051903933 /nfs/dbraw/zinc/90/39/33/1051903933.db2.gz FLBQJGQXMCMCPF-QPPBQGQZSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000764960034 1053399884 /nfs/dbraw/zinc/39/98/84/1053399884.db2.gz BOXVAJJCVFUTLH-RTBURBONSA-N 2 1 328.500 4.004 20 30 EIEDMP C[NH+](C)C1(C)CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001196980041 1053817592 /nfs/dbraw/zinc/81/75/92/1053817592.db2.gz BLGJZEWEVLCZEO-UHFFFAOYSA-N 2 1 333.479 4.141 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282193920 1054533932 /nfs/dbraw/zinc/53/39/32/1054533932.db2.gz WTKLAXFKOWSGFT-VQIMIIECSA-N 2 1 334.467 4.032 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)cc1 ZINC000186323252 1055350239 /nfs/dbraw/zinc/35/02/39/1055350239.db2.gz HYAKVDVLDWLUAJ-MRXNPFEDSA-N 2 1 330.435 4.212 20 30 EIEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412100 1056104299 /nfs/dbraw/zinc/10/42/99/1056104299.db2.gz USAMYIRUSQPIEN-JLHGSKIFSA-N 2 1 333.479 4.044 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1F ZINC000181574035 1022392971 /nfs/dbraw/zinc/39/29/71/1022392971.db2.gz CEQQDVVEATWORO-AWEZNQCLSA-N 2 1 334.398 4.042 20 30 EIEDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779951 1023311016 /nfs/dbraw/zinc/31/10/16/1023311016.db2.gz XYEGPCOCRAPGQP-XMSQKQJNSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000610829829 1025052440 /nfs/dbraw/zinc/05/24/40/1025052440.db2.gz NPLSZQASYSVBED-WWMYMODYSA-N 2 1 325.500 4.252 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278915185 1025545691 /nfs/dbraw/zinc/54/56/91/1025545691.db2.gz QWAOIOBDQKFWAF-MRXNPFEDSA-N 2 1 334.467 4.032 20 30 EIEDMP C=CC[C@@H]1[N@@H+](Cc2nc3c(s2)CN(C(C)C)CC3)CCCC1(C)C ZINC000446828504 1029593543 /nfs/dbraw/zinc/59/35/43/1029593543.db2.gz VJKATQHHAMVIFN-SFHVURJKSA-N 2 1 347.572 4.476 20 30 EIEDMP C=CC[C@@H]1[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCC1(C)C ZINC000446828504 1029593552 /nfs/dbraw/zinc/59/35/52/1029593552.db2.gz VJKATQHHAMVIFN-SFHVURJKSA-N 2 1 347.572 4.476 20 30 EIEDMP C=CC[C@@H]1[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCC1(C)C ZINC000446828504 1029593555 /nfs/dbraw/zinc/59/35/55/1029593555.db2.gz VJKATQHHAMVIFN-SFHVURJKSA-N 2 1 347.572 4.476 20 30 EIEDMP C=CC[C@@H]1[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CCCC1(C)C ZINC000446828504 1029593566 /nfs/dbraw/zinc/59/35/66/1029593566.db2.gz VJKATQHHAMVIFN-SFHVURJKSA-N 2 1 347.572 4.476 20 30 EIEDMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447563753 1030175156 /nfs/dbraw/zinc/17/51/56/1030175156.db2.gz SDYZOGDVNAHXHP-HSZRJFAPSA-N 2 1 347.506 4.306 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000685423111 1030303028 /nfs/dbraw/zinc/30/30/28/1030303028.db2.gz ZKWODQFRCHIAEE-OAHLLOKOSA-N 2 1 340.433 4.439 20 30 EIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000449161092 1031501386 /nfs/dbraw/zinc/50/13/86/1031501386.db2.gz NSKOCFKNOVMGHE-MEWCUZTCSA-N 2 1 331.529 4.193 20 30 EIEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000449161092 1031501400 /nfs/dbraw/zinc/50/14/00/1031501400.db2.gz NSKOCFKNOVMGHE-MEWCUZTCSA-N 2 1 331.529 4.193 20 30 EIEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000513493847 1034987085 /nfs/dbraw/zinc/98/70/85/1034987085.db2.gz CTZFNFWVWBRLER-AEFFLSMTSA-N 2 1 339.508 4.010 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000595342642 1035637248 /nfs/dbraw/zinc/63/72/48/1035637248.db2.gz FNQJRCJGPGMOJA-XXBNENTESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000595342642 1035637265 /nfs/dbraw/zinc/63/72/65/1035637265.db2.gz FNQJRCJGPGMOJA-XXBNENTESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000595342642 1035637274 /nfs/dbraw/zinc/63/72/74/1035637274.db2.gz FNQJRCJGPGMOJA-XXBNENTESA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000595342642 1035637287 /nfs/dbraw/zinc/63/72/87/1035637287.db2.gz FNQJRCJGPGMOJA-XXBNENTESA-N 2 1 347.506 4.086 20 30 EIEDMP C[N@H+]1CC[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973450 1036837338 /nfs/dbraw/zinc/83/73/38/1036837338.db2.gz ITFRWSNOJIBYFG-HXUWFJFHSA-N 2 1 333.479 4.188 20 30 EIEDMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973450 1036837348 /nfs/dbraw/zinc/83/73/48/1036837348.db2.gz ITFRWSNOJIBYFG-HXUWFJFHSA-N 2 1 333.479 4.188 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)cc2)CC1 ZINC000592291142 1037771662 /nfs/dbraw/zinc/77/16/62/1037771662.db2.gz OICRCVJDNMEZLO-UHFFFAOYSA-N 2 1 335.495 4.195 20 30 EIEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594493970 1038342584 /nfs/dbraw/zinc/34/25/84/1038342584.db2.gz COXASLAHKLEMOA-SFHVURJKSA-N 2 1 327.516 4.089 20 30 EIEDMP C=CCCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000594968510 1038555088 /nfs/dbraw/zinc/55/50/88/1038555088.db2.gz QEVZJPWBDMEXMN-IBGZPJMESA-N 2 1 330.541 4.083 20 30 EIEDMP C=CCCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000594968510 1038555103 /nfs/dbraw/zinc/55/51/03/1038555103.db2.gz QEVZJPWBDMEXMN-IBGZPJMESA-N 2 1 330.541 4.083 20 30 EIEDMP C=CCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000594968511 1038562070 /nfs/dbraw/zinc/56/20/70/1038562070.db2.gz QEVZJPWBDMEXMN-LJQANCHMSA-N 2 1 330.541 4.083 20 30 EIEDMP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000594968511 1038562096 /nfs/dbraw/zinc/56/20/96/1038562096.db2.gz QEVZJPWBDMEXMN-LJQANCHMSA-N 2 1 330.541 4.083 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424315651 1038800643 /nfs/dbraw/zinc/80/06/43/1038800643.db2.gz PQOXAEUONNSEHE-LJQANCHMSA-N 2 1 341.524 4.057 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481915668 1039893856 /nfs/dbraw/zinc/89/38/56/1039893856.db2.gz CTJXKOGZBKNSBE-OAHLLOKOSA-N 2 1 340.433 4.267 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000482637605 1040409715 /nfs/dbraw/zinc/40/97/15/1040409715.db2.gz BUCZZFXQGUDCKW-GOSISDBHSA-N 2 1 335.495 4.440 20 30 EIEDMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443979342 1042715483 /nfs/dbraw/zinc/71/54/83/1042715483.db2.gz ANOUYSMEXGYIMO-SFHVURJKSA-N 2 1 347.506 4.388 20 30 EIEDMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442706206 1043814334 /nfs/dbraw/zinc/81/43/34/1043814334.db2.gz CQVLWYHNJYUMHH-XLIONFOSSA-N 2 1 325.500 4.233 20 30 EIEDMP N#C[C@H]1CC[C@H]([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000442770646 1043837464 /nfs/dbraw/zinc/83/74/64/1043837464.db2.gz RWZULLWANBWTOY-GOTSBHOMSA-N 2 1 347.506 4.361 20 30 EIEDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170371648 1046022558 /nfs/dbraw/zinc/02/25/58/1046022558.db2.gz HTIYIZFZDBFDRV-FUHYEJFZSA-N 2 1 339.527 4.243 20 30 EIEDMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170371648 1046022577 /nfs/dbraw/zinc/02/25/77/1046022577.db2.gz HTIYIZFZDBFDRV-FUHYEJFZSA-N 2 1 339.527 4.243 20 30 EIEDMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000556599462 1047834860 /nfs/dbraw/zinc/83/48/60/1047834860.db2.gz SBCOQGAKODXXPU-DYESRHJHSA-N 2 1 337.511 4.180 20 30 EIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868743 1048086041 /nfs/dbraw/zinc/08/60/41/1048086041.db2.gz BUKMYIMUGZZKQG-SFTDATJTSA-N 2 1 338.495 4.441 20 30 EIEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868743 1048086055 /nfs/dbraw/zinc/08/60/55/1048086055.db2.gz BUKMYIMUGZZKQG-SFTDATJTSA-N 2 1 338.495 4.441 20 30 EIEDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000556884375 1048098834 /nfs/dbraw/zinc/09/88/34/1048098834.db2.gz CAIMAIVIPKIVBM-RJGXRXQPSA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141152 1048341304 /nfs/dbraw/zinc/34/13/04/1048341304.db2.gz ZHNGJIZRQIZRED-LUGPXAIHSA-N 2 1 345.490 4.404 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000809605522 1048439669 /nfs/dbraw/zinc/43/96/69/1048439669.db2.gz DCBKSEAKWZMKHH-LJQANCHMSA-N 2 1 332.491 4.190 20 30 EIEDMP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000809605521 1048440186 /nfs/dbraw/zinc/44/01/86/1048440186.db2.gz DCBKSEAKWZMKHH-IBGZPJMESA-N 2 1 332.491 4.190 20 30 EIEDMP C[N@H+]1CC[C@H](c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2)C1 ZINC001171185385 1048681992 /nfs/dbraw/zinc/68/19/92/1048681992.db2.gz ITWWCZPCRHIUPB-IBGZPJMESA-N 2 1 345.446 4.002 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001171220996 1048856825 /nfs/dbraw/zinc/85/68/25/1048856825.db2.gz GVXLUXWXRUFLFI-LJQANCHMSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001171220996 1048856831 /nfs/dbraw/zinc/85/68/31/1048856831.db2.gz GVXLUXWXRUFLFI-LJQANCHMSA-N 2 1 347.506 4.086 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001172494937 1049921722 /nfs/dbraw/zinc/92/17/22/1049921722.db2.gz KOMPSPFOCOSRGV-QGZVFWFLSA-N 2 1 331.529 4.118 20 30 EIEDMP C[C@@H](CCCC#N)[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172508844 1049925841 /nfs/dbraw/zinc/92/58/41/1049925841.db2.gz HVWVJZZGSKXSEC-FQEVSTJZSA-N 2 1 339.527 4.447 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001173327708 1050419698 /nfs/dbraw/zinc/41/96/98/1050419698.db2.gz HHNXGFPYLDMSLW-AXIYNFMDSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001173327708 1050419702 /nfs/dbraw/zinc/41/97/02/1050419702.db2.gz HHNXGFPYLDMSLW-AXIYNFMDSA-N 2 1 325.500 4.102 20 30 EIEDMP CC1(C#N)CCC([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173600025 1050501560 /nfs/dbraw/zinc/50/15/60/1050501560.db2.gz UZFFIFXOMKQRLY-LZBANZJXSA-N 2 1 337.511 4.057 20 30 EIEDMP CC1(C#N)CCC([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173600025 1050501567 /nfs/dbraw/zinc/50/15/67/1050501567.db2.gz UZFFIFXOMKQRLY-LZBANZJXSA-N 2 1 337.511 4.057 20 30 EIEDMP CC1(C#N)CCC([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173600025 1050501571 /nfs/dbraw/zinc/50/15/71/1050501571.db2.gz UZFFIFXOMKQRLY-LZBANZJXSA-N 2 1 337.511 4.057 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000153047238 1050943594 /nfs/dbraw/zinc/94/35/94/1050943594.db2.gz XJOYTHBYOGVFTF-QGZVFWFLSA-N 2 1 346.515 4.175 20 30 EIEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC001181686429 1051266859 /nfs/dbraw/zinc/26/68/59/1051266859.db2.gz HAFMNSJQSACXQI-XMSQKQJNSA-N 2 1 342.527 4.384 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000764963253 1053399989 /nfs/dbraw/zinc/39/99/89/1053399989.db2.gz BWNGECXTCOZNHQ-IPELMVKDSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000764963253 1053400009 /nfs/dbraw/zinc/40/00/09/1053400009.db2.gz BWNGECXTCOZNHQ-IPELMVKDSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000764963253 1053400018 /nfs/dbraw/zinc/40/00/18/1053400018.db2.gz BWNGECXTCOZNHQ-IPELMVKDSA-N 2 1 334.891 4.095 20 30 EIEDMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000542945282 1056829234 /nfs/dbraw/zinc/82/92/34/1056829234.db2.gz OEFUCEKJOOCMFG-UHFFFAOYSA-N 2 1 331.479 4.031 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000067668269 526252164 /nfs/dbraw/zinc/25/21/64/526252164.db2.gz XWBYSCHJUDQMAB-SFHVURJKSA-N 2 1 333.479 4.222 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)s2)cc1F ZINC000134814074 1020021558 /nfs/dbraw/zinc/02/15/58/1020021558.db2.gz MSIRGNJEVKUGOJ-GFCCVEGCSA-N 2 1 340.427 4.104 20 30 EIEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176947895 1020938651 /nfs/dbraw/zinc/93/86/51/1020938651.db2.gz ZYXIHLYSUMPRHO-INIZCTEOSA-N 2 1 339.508 4.284 20 30 EIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C1 ZINC000177685250 1021441870 /nfs/dbraw/zinc/44/18/70/1021441870.db2.gz BGAREFYBNBSMHR-INIZCTEOSA-N 2 1 339.508 4.141 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000236690230 1023123014 /nfs/dbraw/zinc/12/30/14/1023123014.db2.gz TZRLELIZXUKBNY-UHFFFAOYSA-N 2 1 344.446 4.429 20 30 EIEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962482 1023488782 /nfs/dbraw/zinc/48/87/82/1023488782.db2.gz BTYILOLPIVWLBN-GHTZIAJQSA-N 2 1 333.479 4.121 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2C)C(C)(C)C)cc1 ZINC000536474747 1025860569 /nfs/dbraw/zinc/86/05/69/1025860569.db2.gz AGFZZJGZLQEABB-UHFFFAOYSA-N 2 1 341.499 4.447 20 30 EIEDMP C=CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2C)C(C)(C)C)cc1 ZINC000536474747 1025860570 /nfs/dbraw/zinc/86/05/70/1025860570.db2.gz AGFZZJGZLQEABB-UHFFFAOYSA-N 2 1 341.499 4.447 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000153019247 1026929075 /nfs/dbraw/zinc/92/90/75/1026929075.db2.gz FAQZGEPYJFUSIZ-HNNXBMFYSA-N 2 1 334.529 4.108 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024370 1027858774 /nfs/dbraw/zinc/85/87/74/1027858774.db2.gz YNMJYMYCSKUQJC-JOCHJYFZSA-N 2 1 345.490 4.039 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024370 1027858778 /nfs/dbraw/zinc/85/87/78/1027858778.db2.gz YNMJYMYCSKUQJC-JOCHJYFZSA-N 2 1 345.490 4.039 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000281200420 1028434661 /nfs/dbraw/zinc/43/46/61/1028434661.db2.gz KDARVIVCRQJWRB-ICSRJNTNSA-N 2 1 327.516 4.046 20 30 EIEDMP C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCC[NH+](CCCC(C)(C)C#N)CC1 ZINC000156954643 1028877934 /nfs/dbraw/zinc/87/79/34/1028877934.db2.gz LLEIMTJQXUMUAS-IBGZPJMESA-N 2 1 346.563 4.433 20 30 EIEDMP C[NH+](CCCC(C)(C)C#N)[C@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000156954643 1028877948 /nfs/dbraw/zinc/87/79/48/1028877948.db2.gz LLEIMTJQXUMUAS-IBGZPJMESA-N 2 1 346.563 4.433 20 30 EIEDMP C[NH+](CCCC(C)(C)C#N)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000156954643 1028877949 /nfs/dbraw/zinc/87/79/49/1028877949.db2.gz LLEIMTJQXUMUAS-IBGZPJMESA-N 2 1 346.563 4.433 20 30 EIEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301403928 1029726056 /nfs/dbraw/zinc/72/60/56/1029726056.db2.gz SIGJWRNPVFFRDN-UHFFFAOYSA-N 2 1 346.272 4.060 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000183687483 1030017939 /nfs/dbraw/zinc/01/79/39/1030017939.db2.gz SMQTVZNHNFNVIS-INIZCTEOSA-N 2 1 333.410 4.022 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453236519 1031757070 /nfs/dbraw/zinc/75/70/70/1031757070.db2.gz UQOZUYLEHKEFID-PWRODBHTSA-N 2 1 339.527 4.349 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000531910990 1031807345 /nfs/dbraw/zinc/80/73/45/1031807345.db2.gz ZHDVWGQQQRFTRT-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP N#CC1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602654399 1036552168 /nfs/dbraw/zinc/55/21/68/1036552168.db2.gz GVAFQHAHMVAFRZ-KLXIGZAZSA-N 2 1 337.511 4.274 20 30 EIEDMP N#CC1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602654399 1036552186 /nfs/dbraw/zinc/55/21/86/1036552186.db2.gz GVAFQHAHMVAFRZ-KLXIGZAZSA-N 2 1 337.511 4.274 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701660 1036577451 /nfs/dbraw/zinc/57/74/51/1036577451.db2.gz WRQQJHKYIJTPMS-FYYLOGMGSA-N 2 1 345.490 4.210 20 30 EIEDMP N#CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701660 1036577474 /nfs/dbraw/zinc/57/74/74/1036577474.db2.gz WRQQJHKYIJTPMS-FYYLOGMGSA-N 2 1 345.490 4.210 20 30 EIEDMP Cc1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000599345996 1036964126 /nfs/dbraw/zinc/96/41/26/1036964126.db2.gz GJKUTMXCBZJIKZ-UHFFFAOYSA-N 2 1 348.494 4.000 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000488160302 1037382726 /nfs/dbraw/zinc/38/27/26/1037382726.db2.gz SATPGCYPVLSQKK-INIZCTEOSA-N 2 1 330.435 4.212 20 30 EIEDMP Cc1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191496 1037395008 /nfs/dbraw/zinc/39/50/08/1037395008.db2.gz AILLCUVFVKNKBD-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191496 1037395037 /nfs/dbraw/zinc/39/50/37/1037395037.db2.gz AILLCUVFVKNKBD-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191496 1037395052 /nfs/dbraw/zinc/39/50/52/1037395052.db2.gz AILLCUVFVKNKBD-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191496 1037395070 /nfs/dbraw/zinc/39/50/70/1037395070.db2.gz AILLCUVFVKNKBD-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191496 1037395093 /nfs/dbraw/zinc/39/50/93/1037395093.db2.gz AILLCUVFVKNKBD-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191496 1037395110 /nfs/dbraw/zinc/39/51/10/1037395110.db2.gz AILLCUVFVKNKBD-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191496 1037395128 /nfs/dbraw/zinc/39/51/28/1037395128.db2.gz AILLCUVFVKNKBD-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494547 1038345654 /nfs/dbraw/zinc/34/56/54/1038345654.db2.gz HWAVKSGASIXDHQ-SFHVURJKSA-N 2 1 327.516 4.232 20 30 EIEDMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(c4cccc(C#N)c4)CC3)CC2)C1 ZINC000551811106 1040621667 /nfs/dbraw/zinc/62/16/67/1040621667.db2.gz FHFFYWDNACFWFJ-DYESRHJHSA-N 2 1 337.511 4.180 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516690450 1041710176 /nfs/dbraw/zinc/71/01/76/1041710176.db2.gz PJPJWWRSQMRYHQ-AMHTUMDSSA-N 2 1 345.490 4.046 20 30 EIEDMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002744 1042740480 /nfs/dbraw/zinc/74/04/80/1042740480.db2.gz PZRKRFXCJMPHKQ-PGRDOPGGSA-N 2 1 333.479 4.009 20 30 EIEDMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002744 1042740487 /nfs/dbraw/zinc/74/04/87/1042740487.db2.gz PZRKRFXCJMPHKQ-PGRDOPGGSA-N 2 1 333.479 4.009 20 30 EIEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390736 1045296994 /nfs/dbraw/zinc/29/69/94/1045296994.db2.gz RIPKCLOIGFIXEO-DYESRHJHSA-N 2 1 325.500 4.037 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000153684426 1045447306 /nfs/dbraw/zinc/44/73/06/1045447306.db2.gz HHALCFCDWPMKLQ-SPEDKVCISA-N 2 1 333.479 4.119 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000153684426 1045447307 /nfs/dbraw/zinc/44/73/07/1045447307.db2.gz HHALCFCDWPMKLQ-SPEDKVCISA-N 2 1 333.479 4.119 20 30 EIEDMP C=CCCCCC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000793536007 1046273916 /nfs/dbraw/zinc/27/39/16/1046273916.db2.gz UVOAVPVGMVRMNL-INIZCTEOSA-N 2 1 330.520 4.177 20 30 EIEDMP CC1(C)C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171972303 1049834863 /nfs/dbraw/zinc/83/48/63/1049834863.db2.gz PKLHMTBZQHSDMI-QFIPXVFZSA-N 2 1 347.506 4.134 20 30 EIEDMP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984376 1049840178 /nfs/dbraw/zinc/84/01/78/1049840178.db2.gz KUEOPINDDUVQOD-QFIPXVFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984376 1049840181 /nfs/dbraw/zinc/84/01/81/1049840181.db2.gz KUEOPINDDUVQOD-QFIPXVFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984376 1049840183 /nfs/dbraw/zinc/84/01/83/1049840183.db2.gz KUEOPINDDUVQOD-QFIPXVFZSA-N 2 1 347.506 4.433 20 30 EIEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984376 1049840186 /nfs/dbraw/zinc/84/01/86/1049840186.db2.gz KUEOPINDDUVQOD-QFIPXVFZSA-N 2 1 347.506 4.433 20 30 EIEDMP CCCCCCC[C@H](CC)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001172359771 1049895281 /nfs/dbraw/zinc/89/52/81/1049895281.db2.gz CZOPSKDBEZRYTJ-NRFANRHFSA-N 2 1 337.596 4.085 20 30 EIEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172510300 1049925628 /nfs/dbraw/zinc/92/56/28/1049925628.db2.gz ZHOAFLGYXCWQCB-TZIWHRDSSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001172510300 1049925635 /nfs/dbraw/zinc/92/56/35/1049925635.db2.gz ZHOAFLGYXCWQCB-TZIWHRDSSA-N 2 1 325.500 4.057 20 30 EIEDMP C[C@H](CCCC#N)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001172510300 1049925641 /nfs/dbraw/zinc/92/56/41/1049925641.db2.gz ZHOAFLGYXCWQCB-TZIWHRDSSA-N 2 1 325.500 4.057 20 30 EIEDMP CC(C)(CCC#N)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043832 1050310202 /nfs/dbraw/zinc/31/02/02/1050310202.db2.gz NFECZAHYKNSFAD-RTWAWAEBSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092043832 1050310205 /nfs/dbraw/zinc/31/02/05/1050310205.db2.gz NFECZAHYKNSFAD-RTWAWAEBSA-N 2 1 339.527 4.303 20 30 EIEDMP CC(C)(CCC#N)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092043832 1050310219 /nfs/dbraw/zinc/31/02/19/1050310219.db2.gz NFECZAHYKNSFAD-RTWAWAEBSA-N 2 1 339.527 4.303 20 30 EIEDMP C#CC[C@H]1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068932 1051903663 /nfs/dbraw/zinc/90/36/63/1051903663.db2.gz FLBQJGQXMCMCPF-XUZZJYLKSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CC[C@H]1CC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068932 1051903675 /nfs/dbraw/zinc/90/36/75/1051903675.db2.gz FLBQJGQXMCMCPF-XUZZJYLKSA-N 2 1 346.518 4.247 20 30 EIEDMP C#CC[C@H]1CC[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068932 1051903689 /nfs/dbraw/zinc/90/36/89/1051903689.db2.gz FLBQJGQXMCMCPF-XUZZJYLKSA-N 2 1 346.518 4.247 20 30 EIEDMP C=C[C@H]1CCCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193943418 1052043638 /nfs/dbraw/zinc/04/36/38/1052043638.db2.gz WUBTVIJGNLNYIK-QFIPXVFZSA-N 2 1 326.528 4.372 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177313732 1052676814 /nfs/dbraw/zinc/67/68/14/1052676814.db2.gz VZUJRZKMFCYYEL-AWEZNQCLSA-N 2 1 337.305 4.140 20 30 EIEDMP CCCCCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201846724 1054933881 /nfs/dbraw/zinc/93/38/81/1054933881.db2.gz KLNJQEYTOBVRNR-UHFFFAOYSA-N 2 1 334.552 4.290 20 30 EIEDMP CCCCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001201846724 1054933886 /nfs/dbraw/zinc/93/38/86/1054933886.db2.gz KLNJQEYTOBVRNR-UHFFFAOYSA-N 2 1 334.552 4.290 20 30 EIEDMP CCCCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201846724 1054933898 /nfs/dbraw/zinc/93/38/98/1054933898.db2.gz KLNJQEYTOBVRNR-UHFFFAOYSA-N 2 1 334.552 4.290 20 30 EIEDMP CCCCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201846724 1054933908 /nfs/dbraw/zinc/93/39/08/1054933908.db2.gz KLNJQEYTOBVRNR-UHFFFAOYSA-N 2 1 334.552 4.290 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000067668290 524114736 /nfs/dbraw/zinc/11/47/36/524114736.db2.gz QPYWJLCIMSKXBH-GOSISDBHSA-N 2 1 333.479 4.222 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000175911128 1022497827 /nfs/dbraw/zinc/49/78/27/1022497827.db2.gz FDAGEZYTDIAHIR-SPEDKVCISA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000175911128 1022497846 /nfs/dbraw/zinc/49/78/46/1022497846.db2.gz FDAGEZYTDIAHIR-SPEDKVCISA-N 2 1 333.479 4.262 20 30 EIEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181762560 1024254785 /nfs/dbraw/zinc/25/47/85/1024254785.db2.gz BOGVICOLLYVZKM-ROUUACIJSA-N 2 1 333.479 4.434 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000187662961 1024799672 /nfs/dbraw/zinc/79/96/72/1024799672.db2.gz XWVKRELKYONVKC-HBFSDRIKSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000187662961 1024799690 /nfs/dbraw/zinc/79/96/90/1024799690.db2.gz XWVKRELKYONVKC-HBFSDRIKSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000187662961 1024799713 /nfs/dbraw/zinc/79/97/13/1024799713.db2.gz XWVKRELKYONVKC-HBFSDRIKSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000187662961 1024799737 /nfs/dbraw/zinc/79/97/37/1024799737.db2.gz XWVKRELKYONVKC-HBFSDRIKSA-N 2 1 325.500 4.206 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)C1 ZINC000449080617 1031438596 /nfs/dbraw/zinc/43/85/96/1031438596.db2.gz XRESEBZGFOIFLX-OSFYOIPJSA-N 2 1 339.527 4.481 20 30 EIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000531654860 1031449305 /nfs/dbraw/zinc/44/93/05/1031449305.db2.gz ADOWXTZZBUXGSR-GOSISDBHSA-N 2 1 325.500 4.035 20 30 EIEDMP C=CCCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000449120294 1031457916 /nfs/dbraw/zinc/45/79/16/1031457916.db2.gz CJOMZUUOLXZPFM-MRXNPFEDSA-N 2 1 333.520 4.228 20 30 EIEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449179793 1031520382 /nfs/dbraw/zinc/52/03/82/1031520382.db2.gz XEUBRDNIDWPBBM-AFVILVPDSA-N 2 1 325.500 4.102 20 30 EIEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000449179793 1031520390 /nfs/dbraw/zinc/52/03/90/1031520390.db2.gz XEUBRDNIDWPBBM-AFVILVPDSA-N 2 1 325.500 4.102 20 30 EIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449306448 1031610177 /nfs/dbraw/zinc/61/01/77/1031610177.db2.gz LLIIDDGUDLTAED-FUHYEJFZSA-N 2 1 339.527 4.349 20 30 EIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449306448 1031610185 /nfs/dbraw/zinc/61/01/85/1031610185.db2.gz LLIIDDGUDLTAED-FUHYEJFZSA-N 2 1 339.527 4.349 20 30 EIEDMP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453292664 1031812015 /nfs/dbraw/zinc/81/20/15/1031812015.db2.gz OGPIFXUJWUPIFG-YOESJJQFSA-N 2 1 337.511 4.102 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC000501422188 1035442002 /nfs/dbraw/zinc/44/20/02/1035442002.db2.gz KMTJICCXIAEVTO-SQFISAMPSA-N 2 1 338.417 4.349 20 30 EIEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094387 1035821498 /nfs/dbraw/zinc/82/14/98/1035821498.db2.gz LVBOIWBBOGGPHD-UGKGYDQZSA-N 2 1 337.511 4.037 20 30 EIEDMP N#CC1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602654400 1036553492 /nfs/dbraw/zinc/55/34/92/1036553492.db2.gz GVAFQHAHMVAFRZ-VEDXQQSGSA-N 2 1 337.511 4.274 20 30 EIEDMP N#CC1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602654400 1036553501 /nfs/dbraw/zinc/55/35/01/1036553501.db2.gz GVAFQHAHMVAFRZ-VEDXQQSGSA-N 2 1 337.511 4.274 20 30 EIEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1Cl ZINC000537636228 1039362509 /nfs/dbraw/zinc/36/25/09/1039362509.db2.gz SSEUCCSZCZVAOR-YJBOKZPZSA-N 2 1 336.907 4.067 20 30 EIEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1Cl ZINC000537636228 1039362528 /nfs/dbraw/zinc/36/25/28/1039362528.db2.gz SSEUCCSZCZVAOR-YJBOKZPZSA-N 2 1 336.907 4.067 20 30 EIEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1Cl ZINC000537636228 1039362544 /nfs/dbraw/zinc/36/25/44/1039362544.db2.gz SSEUCCSZCZVAOR-YJBOKZPZSA-N 2 1 336.907 4.067 20 30 EIEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000476986032 1040098045 /nfs/dbraw/zinc/09/80/45/1040098045.db2.gz QJNXHVUDRBRMIZ-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000476986032 1040098065 /nfs/dbraw/zinc/09/80/65/1040098065.db2.gz QJNXHVUDRBRMIZ-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517867 1040971820 /nfs/dbraw/zinc/97/18/20/1040971820.db2.gz UXUDDLGNBORHDG-PBASOCQRSA-N 2 1 339.527 4.205 20 30 EIEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898523126 1040978909 /nfs/dbraw/zinc/97/89/09/1040978909.db2.gz ZRVOSOTXAWEVMK-QHAWAJNXSA-N 2 1 339.527 4.207 20 30 EIEDMP CCCC[C@H](CC)C[N@@H+]1CCO[C@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001280183640 1041769677 /nfs/dbraw/zinc/76/96/77/1041769677.db2.gz ADTBZSDUBKGULW-SFTDATJTSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@H](CC)C[N@H+]1CCO[C@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001280183640 1041769680 /nfs/dbraw/zinc/76/96/80/1041769680.db2.gz ADTBZSDUBKGULW-SFTDATJTSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@H](CC)C[NH+]1CCO[C@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001280183640 1041769685 /nfs/dbraw/zinc/76/96/85/1041769685.db2.gz ADTBZSDUBKGULW-SFTDATJTSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[C@H](CC)C[NH+]1CCO[C@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001280183640 1041769686 /nfs/dbraw/zinc/76/96/86/1041769686.db2.gz ADTBZSDUBKGULW-SFTDATJTSA-N 2 1 349.563 4.063 20 30 EIEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439435007 1042624456 /nfs/dbraw/zinc/62/44/56/1042624456.db2.gz GFDRCXQXBVHZFG-UHFFFAOYSA-N 2 1 333.907 4.156 20 30 EIEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000443992892 1042734001 /nfs/dbraw/zinc/73/40/01/1042734001.db2.gz HUGSPQDLUCFTTE-UYAOXDASSA-N 2 1 339.508 4.101 20 30 EIEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000443992892 1042734007 /nfs/dbraw/zinc/73/40/07/1042734007.db2.gz HUGSPQDLUCFTTE-UYAOXDASSA-N 2 1 339.508 4.101 20 30 EIEDMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002743 1042742431 /nfs/dbraw/zinc/74/24/31/1042742431.db2.gz PZRKRFXCJMPHKQ-GCJKJVERSA-N 2 1 333.479 4.009 20 30 EIEDMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002743 1042742435 /nfs/dbraw/zinc/74/24/35/1042742435.db2.gz PZRKRFXCJMPHKQ-GCJKJVERSA-N 2 1 333.479 4.009 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000427706716 1043170037 /nfs/dbraw/zinc/17/00/37/1043170037.db2.gz VQMYMLDWEMBVAM-LJQANCHMSA-N 2 1 330.541 4.470 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000521471445 1043799402 /nfs/dbraw/zinc/79/94/02/1043799402.db2.gz DRLTWGJCMBNPPI-HXUWFJFHSA-N 2 1 332.919 4.291 20 30 EIEDMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000543397590 1044513168 /nfs/dbraw/zinc/51/31/68/1044513168.db2.gz WBIBCKCJDCZYOU-QGZVFWFLSA-N 2 1 345.450 4.031 20 30 EIEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392040 1045297249 /nfs/dbraw/zinc/29/72/49/1045297249.db2.gz JHFDIASADIXZGQ-JOCHJYFZSA-N 2 1 333.479 4.177 20 30 EIEDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)C1 ZINC001170376164 1046033071 /nfs/dbraw/zinc/03/30/71/1046033071.db2.gz KMPSTSOXJKSDCK-NTYOPAKOSA-N 2 1 339.527 4.099 20 30 EIEDMP Cc1cc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc2c[nH+]1 ZINC001171186051 1048684068 /nfs/dbraw/zinc/68/40/68/1048684068.db2.gz NNPMIGKLDAXLQM-UHFFFAOYSA-N 2 1 327.387 4.439 20 30 EIEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199238 1048730216 /nfs/dbraw/zinc/73/02/16/1048730216.db2.gz WUIVYAZHLNBNSX-ZPMCFJSWSA-N 2 1 339.527 4.251 20 30 EIEDMP CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171963742 1049825706 /nfs/dbraw/zinc/82/57/06/1049825706.db2.gz JAEFDVGVWOAXBV-NRFANRHFSA-N 2 1 333.479 4.091 20 30 EIEDMP N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065771 1049851535 /nfs/dbraw/zinc/85/15/35/1049851535.db2.gz QMSNOHOZIBLCJL-WSJSTIOHSA-N 2 1 337.511 4.244 20 30 EIEDMP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369507 1049897222 /nfs/dbraw/zinc/89/72/22/1049897222.db2.gz RRLYXQMCIILEIK-MPMRWZLSSA-N 2 1 339.527 4.455 20 30 EIEDMP C=CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001173312404 1050406571 /nfs/dbraw/zinc/40/65/71/1050406571.db2.gz YZHNZRYYQPMZLD-ITAUSPCMSA-N 2 1 342.527 4.002 20 30 EIEDMP CCCCCCCCC[C@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001173284962 1050413336 /nfs/dbraw/zinc/41/33/36/1050413336.db2.gz MIFOFJGNQHDYQQ-IBGZPJMESA-N 2 1 326.569 4.342 20 30 EIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173334649 1050425113 /nfs/dbraw/zinc/42/51/13/1050425113.db2.gz ZFDFSCBQICWMNH-MNLRITNHSA-N 2 1 339.527 4.349 20 30 EIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173334649 1050425130 /nfs/dbraw/zinc/42/51/30/1050425130.db2.gz ZFDFSCBQICWMNH-MNLRITNHSA-N 2 1 339.527 4.349 20 30 EIEDMP CC1(C#N)CCC([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591700 1050494996 /nfs/dbraw/zinc/49/49/96/1050494996.db2.gz WOHXAKOGPIETJE-SBHPSCBMSA-N 2 1 343.490 4.370 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618805551 1050532609 /nfs/dbraw/zinc/53/26/09/1050532609.db2.gz HMUKLJUUKORBQZ-FRGLQRNOSA-N 2 1 345.490 4.188 20 30 EIEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000618805551 1050532616 /nfs/dbraw/zinc/53/26/16/1050532616.db2.gz HMUKLJUUKORBQZ-FRGLQRNOSA-N 2 1 345.490 4.188 20 30 EIEDMP C=CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194345 1051495893 /nfs/dbraw/zinc/49/58/93/1051495893.db2.gz XJQZDDHYOHQRBV-GPJHCHHRSA-N 2 1 347.506 4.484 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869227 1052615796 /nfs/dbraw/zinc/61/57/96/1052615796.db2.gz ZUUOMNODECWWKM-NQIIRXRSSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869227 1052615800 /nfs/dbraw/zinc/61/58/00/1052615800.db2.gz ZUUOMNODECWWKM-NQIIRXRSSA-N 2 1 333.479 4.073 20 30 EIEDMP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869227 1052615802 /nfs/dbraw/zinc/61/58/02/1052615802.db2.gz ZUUOMNODECWWKM-NQIIRXRSSA-N 2 1 333.479 4.073 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000764963257 1053399137 /nfs/dbraw/zinc/39/91/37/1053399137.db2.gz BWNGECXTCOZNHQ-SNRMKQJTSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000764963257 1053399159 /nfs/dbraw/zinc/39/91/59/1053399159.db2.gz BWNGECXTCOZNHQ-SNRMKQJTSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000764963257 1053399170 /nfs/dbraw/zinc/39/91/70/1053399170.db2.gz BWNGECXTCOZNHQ-SNRMKQJTSA-N 2 1 334.891 4.095 20 30 EIEDMP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000764960027 1053400077 /nfs/dbraw/zinc/40/00/77/1053400077.db2.gz BOXVAJJCVFUTLH-OALUTQOASA-N 2 1 328.500 4.004 20 30 EIEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196936783 1053809081 /nfs/dbraw/zinc/80/90/81/1053809081.db2.gz URFIWZIAIZBTQV-GHTZIAJQSA-N 2 1 325.500 4.206 20 30 EIEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000859214493 1054645032 /nfs/dbraw/zinc/64/50/32/1054645032.db2.gz JBSYXVSAZFWSNE-UHFFFAOYSA-N 2 1 335.495 4.181 20 30 EIEDMP CC(C)(C#N)CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475734244 1032543099 /nfs/dbraw/zinc/54/30/99/1032543099.db2.gz YBGRUGBEPIVIOU-JOCHJYFZSA-N 2 1 339.527 4.304 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475734244 1032543105 /nfs/dbraw/zinc/54/31/05/1032543105.db2.gz YBGRUGBEPIVIOU-JOCHJYFZSA-N 2 1 339.527 4.304 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475734244 1032543107 /nfs/dbraw/zinc/54/31/07/1032543107.db2.gz YBGRUGBEPIVIOU-JOCHJYFZSA-N 2 1 339.527 4.304 20 30 EIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000181574001 1022379720 /nfs/dbraw/zinc/37/97/20/1022379720.db2.gz AKRUQDODNOSHOK-AWEZNQCLSA-N 2 1 334.398 4.042 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779950 1026574425 /nfs/dbraw/zinc/57/44/25/1026574425.db2.gz XYEGPCOCRAPGQP-PGRDOPGGSA-N 2 1 345.490 4.406 20 30 EIEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779950 1026574431 /nfs/dbraw/zinc/57/44/31/1026574431.db2.gz XYEGPCOCRAPGQP-PGRDOPGGSA-N 2 1 345.490 4.406 20 30 EIEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291276 1026653855 /nfs/dbraw/zinc/65/38/55/1026653855.db2.gz GZYUEKCMGYPWJX-QFIPXVFZSA-N 2 1 339.527 4.304 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291276 1026653859 /nfs/dbraw/zinc/65/38/59/1026653859.db2.gz GZYUEKCMGYPWJX-QFIPXVFZSA-N 2 1 339.527 4.304 20 30 EIEDMP CC(C)(C#N)CCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291276 1026653867 /nfs/dbraw/zinc/65/38/67/1026653867.db2.gz GZYUEKCMGYPWJX-QFIPXVFZSA-N 2 1 339.527 4.304 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512313365 1026682666 /nfs/dbraw/zinc/68/26/66/1026682666.db2.gz IPYIMLBUPBYWHI-HLLBOEOZSA-N 2 1 329.463 4.001 20 30 EIEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512313365 1026682677 /nfs/dbraw/zinc/68/26/77/1026682677.db2.gz IPYIMLBUPBYWHI-HLLBOEOZSA-N 2 1 329.463 4.001 20 30 EIEDMP C[N@@H+](CCCCC(C)(C)C#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000277662180 1026747096 /nfs/dbraw/zinc/74/70/96/1026747096.db2.gz JAZHZQXOSZKEEM-UHFFFAOYSA-N 2 1 342.531 4.340 20 30 EIEDMP C[C@@H]1C[C@@H]([NH+]2CCC(C)(C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064700 1029635804 /nfs/dbraw/zinc/63/58/04/1029635804.db2.gz RIZGQAGXZDUDCP-OPVJXMOQSA-N 2 1 325.500 4.054 20 30 EIEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301406657 1029725712 /nfs/dbraw/zinc/72/57/12/1029725712.db2.gz VDGPENNVQLRMFY-UHFFFAOYSA-N 2 1 346.272 4.060 20 30 EIEDMP C=C(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000447544152 1030148292 /nfs/dbraw/zinc/14/82/92/1030148292.db2.gz NVRYMVHNZXHPOQ-NUNAXRQHSA-N 2 1 332.491 4.485 20 30 EIEDMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000449073716 1031430045 /nfs/dbraw/zinc/43/00/45/1031430045.db2.gz NSJSLHVQQWPWIB-RTBURBONSA-N 2 1 347.506 4.304 20 30 EIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512620253 1033508801 /nfs/dbraw/zinc/50/88/01/1033508801.db2.gz PKPRPIQWVXZTFG-INIZCTEOSA-N 2 1 339.458 4.388 20 30 EIEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512620254 1033509006 /nfs/dbraw/zinc/50/90/06/1033509006.db2.gz PKPRPIQWVXZTFG-MRXNPFEDSA-N 2 1 339.458 4.388 20 30 EIEDMP Cc1cc(C#N)ccc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000614402558 1034550108 /nfs/dbraw/zinc/55/01/08/1034550108.db2.gz JEKWDPQLTAMVDT-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000614402558 1034550152 /nfs/dbraw/zinc/55/01/52/1034550152.db2.gz JEKWDPQLTAMVDT-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000614402558 1034550170 /nfs/dbraw/zinc/55/01/70/1034550170.db2.gz JEKWDPQLTAMVDT-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000614402558 1034550206 /nfs/dbraw/zinc/55/02/06/1034550206.db2.gz JEKWDPQLTAMVDT-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000614402558 1034550225 /nfs/dbraw/zinc/55/02/25/1034550225.db2.gz JEKWDPQLTAMVDT-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000614402558 1034550244 /nfs/dbraw/zinc/55/02/44/1034550244.db2.gz JEKWDPQLTAMVDT-XXBNENTESA-N 2 1 347.506 4.352 20 30 EIEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602706537 1036580259 /nfs/dbraw/zinc/58/02/59/1036580259.db2.gz PYNBAQLWJLFQFJ-FYYLOGMGSA-N 2 1 345.490 4.058 20 30 EIEDMP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602706537 1036580273 /nfs/dbraw/zinc/58/02/73/1036580273.db2.gz PYNBAQLWJLFQFJ-FYYLOGMGSA-N 2 1 345.490 4.058 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000249093035 1040210830 /nfs/dbraw/zinc/21/08/30/1040210830.db2.gz DTKLUOZOKIJGGP-UYAOXDASSA-N 2 1 325.500 4.063 20 30 EIEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000249093035 1040210846 /nfs/dbraw/zinc/21/08/46/1040210846.db2.gz DTKLUOZOKIJGGP-UYAOXDASSA-N 2 1 325.500 4.063 20 30 EIEDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000160008939 1040304377 /nfs/dbraw/zinc/30/43/77/1040304377.db2.gz PFUCZADYSJWTGY-SFHVURJKSA-N 2 1 348.494 4.253 20 30 EIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000482650799 1040413697 /nfs/dbraw/zinc/41/36/97/1040413697.db2.gz ZVLJPFWEFUKLFN-FQEVSTJZSA-N 2 1 328.500 4.147 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483963597 1041086588 /nfs/dbraw/zinc/08/65/88/1041086588.db2.gz YSGJLJRCCAEDOL-KRWDZBQOSA-N 2 1 343.490 4.174 20 30 EIEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000554854438 1041455526 /nfs/dbraw/zinc/45/55/26/1041455526.db2.gz PFZQMOWUOPNDAZ-CQSZACIVSA-N 2 1 326.406 4.049 20 30 EIEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000174452585 1044273659 /nfs/dbraw/zinc/27/36/59/1044273659.db2.gz ICGZKWUEZSSLBS-UHFFFAOYSA-N 2 1 345.446 4.073 20 30 EIEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390637 1045297761 /nfs/dbraw/zinc/29/77/61/1045297761.db2.gz MJBZUZNGBVEZMU-LAUBAEHRSA-N 2 1 325.500 4.180 20 30 EIEDMP Cc1ccc(C(=[NH2+])N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1C ZINC001171980113 1049838675 /nfs/dbraw/zinc/83/86/75/1049838675.db2.gz SMJURYFACOTPRE-OAQYLSRUSA-N 2 1 349.522 4.452 20 30 EIEDMP CC1(C)C[C@@H]([NH+]2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985971 1049840235 /nfs/dbraw/zinc/84/02/35/1049840235.db2.gz DUDFEKMNWMTQMO-IBGZPJMESA-N 2 1 325.500 4.055 20 30 EIEDMP N#C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172073564 1049844371 /nfs/dbraw/zinc/84/43/71/1049844371.db2.gz AMJQSMAJCPTKET-UVUJQTEASA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172073564 1049844377 /nfs/dbraw/zinc/84/43/77/1049844377.db2.gz AMJQSMAJCPTKET-UVUJQTEASA-N 2 1 337.511 4.198 20 30 EIEDMP N#C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172073564 1049844380 /nfs/dbraw/zinc/84/43/80/1049844380.db2.gz AMJQSMAJCPTKET-UVUJQTEASA-N 2 1 337.511 4.198 20 30 EIEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303766 1049873684 /nfs/dbraw/zinc/87/36/84/1049873684.db2.gz DXNYXKTYYLSLIF-OZOXKJRCSA-N 2 1 325.500 4.004 20 30 EIEDMP CCCCCCC[C@@H](CC)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001172359773 1049895456 /nfs/dbraw/zinc/89/54/56/1049895456.db2.gz CZOPSKDBEZRYTJ-OAQYLSRUSA-N 2 1 337.596 4.085 20 30 EIEDMP CC(C)(C#N)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248119514 1050043067 /nfs/dbraw/zinc/04/30/67/1050043067.db2.gz NESRLWZXTQCZKB-SFTDATJTSA-N 2 1 339.527 4.303 20 30 EIEDMP C#CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523524 1051701749 /nfs/dbraw/zinc/70/17/49/1051701749.db2.gz JQOAHLDIQRPWRA-OIBXWCBGSA-N 2 1 332.491 4.251 20 30 EIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174272061 1052563994 /nfs/dbraw/zinc/56/39/94/1052563994.db2.gz RMJBSHAPNGFFOQ-GOSISDBHSA-N 2 1 327.516 4.338 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000764963255 1053398628 /nfs/dbraw/zinc/39/86/28/1053398628.db2.gz BWNGECXTCOZNHQ-KFKAGJAMSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000764963255 1053398654 /nfs/dbraw/zinc/39/86/54/1053398654.db2.gz BWNGECXTCOZNHQ-KFKAGJAMSA-N 2 1 334.891 4.095 20 30 EIEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000764963255 1053398670 /nfs/dbraw/zinc/39/86/70/1053398670.db2.gz BWNGECXTCOZNHQ-KFKAGJAMSA-N 2 1 334.891 4.095 20 30 EIEDMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921541157 1053751437 /nfs/dbraw/zinc/75/14/37/1053751437.db2.gz WIJJFYUAZPEHAY-UHFFFAOYSA-N 2 1 339.508 4.141 20 30 EIEDMP