smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1OCCCC#N ZINC000064614350 851940734 /nfs/dbraw/zinc/94/07/34/851940734.db2.gz YICGTFJRHIKVCY-UHFFFAOYSA-N 2 1 408.477 4.301 20 30 HIEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000303911806 855284800 /nfs/dbraw/zinc/28/48/00/855284800.db2.gz ZVJJBLCCQOMTIP-HDICACEKSA-N 2 1 410.562 4.109 20 30 HIEDMP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n2c3ccccc3nc2c1C#N ZINC000463079052 876110919 /nfs/dbraw/zinc/11/09/19/876110919.db2.gz WLMWFFMWUSXHJU-UHFFFAOYSA-N 2 1 416.573 4.030 20 30 HIEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195692 893357492 /nfs/dbraw/zinc/35/74/92/893357492.db2.gz KTAGNZXYRCONGK-AUSIDOKSSA-N 2 1 405.571 4.193 20 30 HIEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195692 893357513 /nfs/dbraw/zinc/35/75/13/893357513.db2.gz KTAGNZXYRCONGK-AUSIDOKSSA-N 2 1 405.571 4.193 20 30 HIEDMP C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508719645 917483215 /nfs/dbraw/zinc/48/32/15/917483215.db2.gz LGNJJGDOKKDGQC-VXPHMXNRSA-N 2 1 404.558 4.143 20 30 HIEDMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000541910178 939651908 /nfs/dbraw/zinc/65/19/08/939651908.db2.gz CIZDRDPGZKWZDB-QPPBQGQZSA-N 2 1 408.615 4.257 20 30 HIEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000541910178 939651910 /nfs/dbraw/zinc/65/19/10/939651910.db2.gz CIZDRDPGZKWZDB-QPPBQGQZSA-N 2 1 408.615 4.257 20 30 HIEDMP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000542529690 939837885 /nfs/dbraw/zinc/83/78/85/939837885.db2.gz PCDCPUCGJSYAHB-RTBURBONSA-N 2 1 416.997 4.138 20 30 HIEDMP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1Cl ZINC000542529690 939837886 /nfs/dbraw/zinc/83/78/86/939837886.db2.gz PCDCPUCGJSYAHB-RTBURBONSA-N 2 1 416.997 4.138 20 30 HIEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483240 941108134 /nfs/dbraw/zinc/10/81/34/941108134.db2.gz JAPGHKCOXZJLGT-PMOQBDJRSA-N 2 1 406.549 4.166 20 30 HIEDMP C=CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550262692 941305393 /nfs/dbraw/zinc/30/53/93/941305393.db2.gz OBLCDGMHEGTXMZ-DEOSSOPVSA-N 2 1 406.570 4.270 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029091 851278015 /nfs/dbraw/zinc/27/80/15/851278015.db2.gz XKEOPHPPJHRVST-INIZCTEOSA-N 2 1 411.384 4.377 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029091 851278026 /nfs/dbraw/zinc/27/80/26/851278026.db2.gz XKEOPHPPJHRVST-INIZCTEOSA-N 2 1 411.384 4.377 20 30 HIEDMP CC[N@H+](Cc1ccc(C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000110170173 853068499 /nfs/dbraw/zinc/06/84/99/853068499.db2.gz XEBQARWCDKTAJY-UHFFFAOYSA-N 2 1 418.585 4.137 20 30 HIEDMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000110170173 853068507 /nfs/dbraw/zinc/06/85/07/853068507.db2.gz XEBQARWCDKTAJY-UHFFFAOYSA-N 2 1 418.585 4.137 20 30 HIEDMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000110170173 853068512 /nfs/dbraw/zinc/06/85/12/853068512.db2.gz XEBQARWCDKTAJY-UHFFFAOYSA-N 2 1 418.585 4.137 20 30 HIEDMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000110170173 853068518 /nfs/dbraw/zinc/06/85/18/853068518.db2.gz XEBQARWCDKTAJY-UHFFFAOYSA-N 2 1 418.585 4.137 20 30 HIEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000431830791 858831246 /nfs/dbraw/zinc/83/12/46/858831246.db2.gz DAVPZRRQWXTORD-UHFFFAOYSA-N 2 1 408.512 4.210 20 30 HIEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cc1C#N ZINC000467791634 881614129 /nfs/dbraw/zinc/61/41/29/881614129.db2.gz ZBESHKNWPKTHHK-UHFFFAOYSA-N 2 1 408.512 4.210 20 30 HIEDMP N#CCCN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000443606009 868165343 /nfs/dbraw/zinc/16/53/43/868165343.db2.gz QTMVPQDXNWUPSK-UHFFFAOYSA-N 2 1 416.997 4.175 20 30 HIEDMP Cc1oc(NC(=O)[C@@H](C)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478044609 893184192 /nfs/dbraw/zinc/18/41/92/893184192.db2.gz GXRLQUZFZUDDGU-FUHWJXTLSA-N 2 1 400.567 4.072 20 30 HIEDMP C=C(C)[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000481581434 896961001 /nfs/dbraw/zinc/96/10/01/896961001.db2.gz WOFPQRYDUXDPPY-DEOSSOPVSA-N 2 1 413.512 4.084 20 30 HIEDMP C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000481581435 896961475 /nfs/dbraw/zinc/96/14/75/896961475.db2.gz WOFPQRYDUXDPPY-XMMPIXPASA-N 2 1 413.512 4.084 20 30 HIEDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341749 900632707 /nfs/dbraw/zinc/63/27/07/900632707.db2.gz BRBIYCSBLVMRTF-XZOQPEGZSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341749 900632712 /nfs/dbraw/zinc/63/27/12/900632712.db2.gz BRBIYCSBLVMRTF-XZOQPEGZSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341749 900632714 /nfs/dbraw/zinc/63/27/14/900632714.db2.gz BRBIYCSBLVMRTF-XZOQPEGZSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341749 900632720 /nfs/dbraw/zinc/63/27/20/900632720.db2.gz BRBIYCSBLVMRTF-XZOQPEGZSA-N 2 1 405.542 4.062 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000513639140 921962804 /nfs/dbraw/zinc/96/28/04/921962804.db2.gz YGBSKFIMCSQUII-MRXNPFEDSA-N 2 1 411.384 4.234 20 30 HIEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000514008157 922331523 /nfs/dbraw/zinc/33/15/23/922331523.db2.gz BWGRSORNBALLBL-UHFFFAOYSA-N 2 1 402.608 4.022 20 30 HIEDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N ZINC000531391220 931042075 /nfs/dbraw/zinc/04/20/75/931042075.db2.gz ZQYSUFSIOOSOAA-OFNKIYASSA-N 2 1 407.558 4.378 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026934 939434498 /nfs/dbraw/zinc/43/44/98/939434498.db2.gz JJEPHLQQBRGOHS-QZTJIDSGSA-N 2 1 419.504 4.306 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543770428 940180922 /nfs/dbraw/zinc/18/09/22/940180922.db2.gz IYNAJHPYWYKARO-QFQXNSOFSA-N 2 1 402.586 4.165 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000543770428 940180926 /nfs/dbraw/zinc/18/09/26/940180926.db2.gz IYNAJHPYWYKARO-QFQXNSOFSA-N 2 1 402.586 4.165 20 30 HIEDMP C=CCOc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868145 941220689 /nfs/dbraw/zinc/22/06/89/941220689.db2.gz OVVUWTYKBNJFPY-DEOSSOPVSA-N 2 1 406.570 4.270 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103704 862292248 /nfs/dbraw/zinc/29/22/48/862292248.db2.gz BAQQZQKUOQUTNE-DLQXEOFGSA-N 2 1 404.558 4.143 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103704 862292266 /nfs/dbraw/zinc/29/22/66/862292266.db2.gz BAQQZQKUOQUTNE-DLQXEOFGSA-N 2 1 404.558 4.143 20 30 HIEDMP COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000303787042 855197948 /nfs/dbraw/zinc/19/79/48/855197948.db2.gz SAKCQQOPACFKSX-SFHVURJKSA-N 2 1 422.451 4.158 20 30 HIEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000304465064 855355604 /nfs/dbraw/zinc/35/56/04/855355604.db2.gz AWWJLRWTPAHLPU-UHFFFAOYSA-N 2 1 416.525 4.238 20 30 HIEDMP C[NH+]1CCC(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)(N2CCCCC2)CC1 ZINC000304806146 855358843 /nfs/dbraw/zinc/35/88/43/855358843.db2.gz RXGCXZGDXYMIHG-UHFFFAOYSA-N 2 1 421.589 4.156 20 30 HIEDMP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)[NH+]2CCCC2)c1 ZINC000305236285 855359621 /nfs/dbraw/zinc/35/96/21/855359621.db2.gz NTSMSHADSDWBEA-GOSISDBHSA-N 2 1 422.451 4.158 20 30 HIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435125229 860652004 /nfs/dbraw/zinc/65/20/04/860652004.db2.gz VXHFWLDBUIKYFL-NRFANRHFSA-N 2 1 420.605 4.335 20 30 HIEDMP CCC[N@H+](CCCOc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000477754793 892846204 /nfs/dbraw/zinc/84/62/04/892846204.db2.gz KTVSDOWDFMBIER-UHFFFAOYSA-N 2 1 407.562 4.115 20 30 HIEDMP CCC[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000477754793 892846206 /nfs/dbraw/zinc/84/62/06/892846206.db2.gz KTVSDOWDFMBIER-UHFFFAOYSA-N 2 1 407.562 4.115 20 30 HIEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195703 893357153 /nfs/dbraw/zinc/35/71/53/893357153.db2.gz KTAGNZXYRCONGK-CVDCTZTESA-N 2 1 405.571 4.193 20 30 HIEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195703 893357173 /nfs/dbraw/zinc/35/71/73/893357173.db2.gz KTAGNZXYRCONGK-CVDCTZTESA-N 2 1 405.571 4.193 20 30 HIEDMP CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490435990 904008616 /nfs/dbraw/zinc/00/86/16/904008616.db2.gz RAJIBMDDUCDTNH-QHCPKHFHSA-N 2 1 413.569 4.303 20 30 HIEDMP CC[NH+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490435990 904008633 /nfs/dbraw/zinc/00/86/33/904008633.db2.gz RAJIBMDDUCDTNH-QHCPKHFHSA-N 2 1 413.569 4.303 20 30 HIEDMP CC[NH+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490435990 904008653 /nfs/dbraw/zinc/00/86/53/904008653.db2.gz RAJIBMDDUCDTNH-QHCPKHFHSA-N 2 1 413.569 4.303 20 30 HIEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1 ZINC000499161930 908516441 /nfs/dbraw/zinc/51/64/41/908516441.db2.gz OTQGDCICQNIBOL-YCAMKHIRSA-N 2 1 418.560 4.451 20 30 HIEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000521880135 929530670 /nfs/dbraw/zinc/53/06/70/929530670.db2.gz HEZCWDQGYFZFMI-QFIPXVFZSA-N 2 1 419.013 4.034 20 30 HIEDMP N#Cc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000538395419 938610503 /nfs/dbraw/zinc/61/05/03/938610503.db2.gz NEKPSHFQVQNTTL-COZMKHHLSA-N 2 1 414.597 4.308 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595833 939314814 /nfs/dbraw/zinc/31/48/14/939314814.db2.gz FNXZWYVMIJKYJM-QFQXNSOFSA-N 2 1 402.586 4.023 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595833 939314820 /nfs/dbraw/zinc/31/48/20/939314820.db2.gz FNXZWYVMIJKYJM-QFQXNSOFSA-N 2 1 402.586 4.023 20 30 HIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000541910180 939651713 /nfs/dbraw/zinc/65/17/13/939651713.db2.gz CIZDRDPGZKWZDB-XUZZJYLKSA-N 2 1 408.615 4.257 20 30 HIEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000541910180 939651715 /nfs/dbraw/zinc/65/17/15/939651715.db2.gz CIZDRDPGZKWZDB-XUZZJYLKSA-N 2 1 408.615 4.257 20 30 HIEDMP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000542529687 939837947 /nfs/dbraw/zinc/83/79/47/939837947.db2.gz PCDCPUCGJSYAHB-MOPGFXCFSA-N 2 1 416.997 4.138 20 30 HIEDMP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1Cl ZINC000542529687 939837948 /nfs/dbraw/zinc/83/79/48/939837948.db2.gz PCDCPUCGJSYAHB-MOPGFXCFSA-N 2 1 416.997 4.138 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000543459546 940069388 /nfs/dbraw/zinc/06/93/88/940069388.db2.gz VYNCXFWGTRKMER-FDFHNCONSA-N 2 1 410.606 4.181 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000543459546 940069390 /nfs/dbraw/zinc/06/93/90/940069390.db2.gz VYNCXFWGTRKMER-FDFHNCONSA-N 2 1 410.606 4.181 20 30 HIEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231441 942823077 /nfs/dbraw/zinc/82/30/77/942823077.db2.gz AIOXWYHPUAXQDS-ILBGXUMGSA-N 2 1 401.554 4.064 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103707 862292627 /nfs/dbraw/zinc/29/26/27/862292627.db2.gz BAQQZQKUOQUTNE-RFRZSCIPSA-N 2 1 404.558 4.143 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103707 862292643 /nfs/dbraw/zinc/29/26/43/862292643.db2.gz BAQQZQKUOQUTNE-RFRZSCIPSA-N 2 1 404.558 4.143 20 30 HIEDMP CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000303870959 855262658 /nfs/dbraw/zinc/26/26/58/855262658.db2.gz BMNVGRUHCSKNCX-KDURUIRLSA-N 2 1 410.562 4.010 20 30 HIEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000303893552 855273992 /nfs/dbraw/zinc/27/39/92/855273992.db2.gz RYSOOUZLJIGKRJ-KRWDZBQOSA-N 2 1 416.591 4.184 20 30 HIEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304756553 855357367 /nfs/dbraw/zinc/35/73/67/855357367.db2.gz NTXZJAZVPJTGML-APWZRJJASA-N 2 1 424.536 4.297 20 30 HIEDMP Cc1nc(C[NH+]2CCC(C[NH+]=C(Nc3ccccc3)N3CCCCC3)CC2)oc1C ZINC000304759469 855357566 /nfs/dbraw/zinc/35/75/66/855357566.db2.gz RGQCGOGQIFUJIR-UHFFFAOYSA-N 2 1 409.578 4.457 20 30 HIEDMP C[C@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000463277086 876334040 /nfs/dbraw/zinc/33/40/40/876334040.db2.gz ROYNSVOEEOHDGO-AREMUKBSSA-N 2 1 402.586 4.167 20 30 HIEDMP C[C@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000463277086 876334057 /nfs/dbraw/zinc/33/40/57/876334057.db2.gz ROYNSVOEEOHDGO-AREMUKBSSA-N 2 1 402.586 4.167 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463283743 876341880 /nfs/dbraw/zinc/34/18/80/876341880.db2.gz POOZJOCUKOTPRI-IHOQQJHYSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463283743 876341894 /nfs/dbraw/zinc/34/18/94/876341894.db2.gz POOZJOCUKOTPRI-IHOQQJHYSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000513056418 921512127 /nfs/dbraw/zinc/51/21/27/921512127.db2.gz GSIIRHPEMHWECQ-WTIAFYNJSA-N 2 1 406.549 4.309 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000513056418 921512139 /nfs/dbraw/zinc/51/21/39/921512139.db2.gz GSIIRHPEMHWECQ-WTIAFYNJSA-N 2 1 406.549 4.309 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C2CC[NH+](CCC)CC2)cc1OC ZINC000510468777 918924688 /nfs/dbraw/zinc/92/46/88/918924688.db2.gz HCDLZFYEKLARNC-UHFFFAOYSA-N 2 1 411.384 4.329 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)C2CC[NH+](CCC)CC2)cc1OC ZINC000510468777 918924699 /nfs/dbraw/zinc/92/46/99/918924699.db2.gz HCDLZFYEKLARNC-UHFFFAOYSA-N 2 1 411.384 4.329 20 30 HIEDMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245590 921002927 /nfs/dbraw/zinc/00/29/27/921002927.db2.gz QPFIRSUZCAIXMR-SANMLTNESA-N 2 1 411.553 4.057 20 30 HIEDMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245590 921002942 /nfs/dbraw/zinc/00/29/42/921002942.db2.gz QPFIRSUZCAIXMR-SANMLTNESA-N 2 1 411.553 4.057 20 30 HIEDMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245590 921002955 /nfs/dbraw/zinc/00/29/55/921002955.db2.gz QPFIRSUZCAIXMR-SANMLTNESA-N 2 1 411.553 4.057 20 30 HIEDMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245590 921002975 /nfs/dbraw/zinc/00/29/75/921002975.db2.gz QPFIRSUZCAIXMR-SANMLTNESA-N 2 1 411.553 4.057 20 30 HIEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515522811 923153409 /nfs/dbraw/zinc/15/34/09/923153409.db2.gz KBQKSISFZXIEIC-ZCNNSNEGSA-N 2 1 404.558 4.153 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000538717013 938688904 /nfs/dbraw/zinc/68/89/04/938688904.db2.gz WOTVAJJRWNISHK-WBVHZDCISA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000538717013 938688905 /nfs/dbraw/zinc/68/89/05/938688905.db2.gz WOTVAJJRWNISHK-WBVHZDCISA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000538717013 938688907 /nfs/dbraw/zinc/68/89/07/938688907.db2.gz WOTVAJJRWNISHK-WBVHZDCISA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000538717013 938688909 /nfs/dbraw/zinc/68/89/09/938688909.db2.gz WOTVAJJRWNISHK-WBVHZDCISA-N 2 1 411.384 4.327 20 30 HIEDMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539509076 938870884 /nfs/dbraw/zinc/87/08/84/938870884.db2.gz SRLILKPBRZGVMG-ATIYNZHBSA-N 2 1 416.613 4.413 20 30 HIEDMP CC[NH+](CC)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000540597931 939315903 /nfs/dbraw/zinc/31/59/03/939315903.db2.gz YQWFWDAYXRLJDK-SANMLTNESA-N 2 1 420.601 4.204 20 30 HIEDMP CC[NH+](CC)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000540597928 939315925 /nfs/dbraw/zinc/31/59/25/939315925.db2.gz YQWFWDAYXRLJDK-AREMUKBSSA-N 2 1 420.601 4.204 20 30 HIEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483242 941107682 /nfs/dbraw/zinc/10/76/82/941107682.db2.gz JAPGHKCOXZJLGT-WWPVKYPJSA-N 2 1 406.549 4.166 20 30 HIEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303771590 855189045 /nfs/dbraw/zinc/18/90/45/855189045.db2.gz CSRKWKWUWZRIAJ-GOSISDBHSA-N 2 1 408.546 4.149 20 30 HIEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000303893557 855274872 /nfs/dbraw/zinc/27/48/72/855274872.db2.gz RYSOOUZLJIGKRJ-QGZVFWFLSA-N 2 1 416.591 4.184 20 30 HIEDMP CC(C)c1cccc(NC(=[NH2+])NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000303979830 855333982 /nfs/dbraw/zinc/33/39/82/855333982.db2.gz NOTHVGPYDFSAQE-UHFFFAOYSA-N 2 1 424.589 4.226 20 30 HIEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304753514 855357871 /nfs/dbraw/zinc/35/78/71/855357871.db2.gz LDOGDKZMPGKVDZ-FPOVZHCZSA-N 2 1 418.507 4.235 20 30 HIEDMP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212217 859569341 /nfs/dbraw/zinc/56/93/41/859569341.db2.gz GMRDFYWYAWRHTC-UHFFFAOYSA-N 2 1 422.960 4.138 20 30 HIEDMP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212217 859569351 /nfs/dbraw/zinc/56/93/51/859569351.db2.gz GMRDFYWYAWRHTC-UHFFFAOYSA-N 2 1 422.960 4.138 20 30 HIEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557395 864883191 /nfs/dbraw/zinc/88/31/91/864883191.db2.gz MBWCFHCKRDLWNA-VXKWHMMOSA-N 2 1 418.585 4.486 20 30 HIEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(C#N)ccc1Br ZINC000492750842 904897917 /nfs/dbraw/zinc/89/79/17/904897917.db2.gz QZJFGCWBCHMMDV-UHFFFAOYSA-N 2 1 413.363 4.454 20 30 HIEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1 ZINC000499161929 908516527 /nfs/dbraw/zinc/51/65/27/908516527.db2.gz OTQGDCICQNIBOL-XQUALCHDSA-N 2 1 418.560 4.451 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000513056416 921511997 /nfs/dbraw/zinc/51/19/97/921511997.db2.gz GSIIRHPEMHWECQ-PTUXOGIPSA-N 2 1 406.549 4.309 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000513056416 921512004 /nfs/dbraw/zinc/51/20/04/921512004.db2.gz GSIIRHPEMHWECQ-PTUXOGIPSA-N 2 1 406.549 4.309 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000506859611 915644741 /nfs/dbraw/zinc/64/47/41/915644741.db2.gz FZZGXVSAJJCAAC-UHFFFAOYSA-N 2 1 423.395 4.330 20 30 HIEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000532950175 931708074 /nfs/dbraw/zinc/70/80/74/931708074.db2.gz RSGHBBFAKLCLBT-KRWDZBQOSA-N 2 1 416.635 4.125 20 30 HIEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000532950176 931708314 /nfs/dbraw/zinc/70/83/14/931708314.db2.gz RSGHBBFAKLCLBT-QGZVFWFLSA-N 2 1 416.635 4.125 20 30 HIEDMP CN(c1ccccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1 ZINC000535840980 933426222 /nfs/dbraw/zinc/42/62/22/933426222.db2.gz QQKOPLFCZYGXJE-UHFFFAOYSA-N 2 1 400.570 4.378 20 30 HIEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1 ZINC000537293877 933700773 /nfs/dbraw/zinc/70/07/73/933700773.db2.gz KMEYUKJPFXVXRD-JOCHJYFZSA-N 2 1 408.615 4.086 20 30 HIEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC000537293877 933700777 /nfs/dbraw/zinc/70/07/77/933700777.db2.gz KMEYUKJPFXVXRD-JOCHJYFZSA-N 2 1 408.615 4.086 20 30 HIEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541024836 939433304 /nfs/dbraw/zinc/43/33/04/939433304.db2.gz SFCSCGOQFKZTOW-QZTJIDSGSA-N 2 1 408.571 4.496 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809962 940193449 /nfs/dbraw/zinc/19/34/49/940193449.db2.gz SZKTYOOEDSOLEX-CABCVRRESA-N 2 1 419.554 4.280 20 30 HIEDMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891607 944078017 /nfs/dbraw/zinc/07/80/17/944078017.db2.gz DGSWRXPTJVXAQG-XXBNENTESA-N 2 1 407.533 4.277 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000107528611 852773319 /nfs/dbraw/zinc/77/33/19/852773319.db2.gz ZFUDQQHBTXMUAB-UHFFFAOYSA-N 2 1 410.606 4.138 20 30 HIEDMP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)c1 ZINC000303773129 855188878 /nfs/dbraw/zinc/18/88/78/855188878.db2.gz FBEWSSQLPBQDNO-LJQANCHMSA-N 2 1 422.451 4.158 20 30 HIEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccc1OC(F)(F)F ZINC000305219789 855359792 /nfs/dbraw/zinc/35/97/92/855359792.db2.gz JDQZINMEXPKPLO-CQSZACIVSA-N 2 1 412.481 4.286 20 30 HIEDMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CCCC#N)c3ccccc3)CC2)cc1 ZINC000433030003 859489718 /nfs/dbraw/zinc/48/97/18/859489718.db2.gz UWHVWJWNJLLZJM-VWLOTQADSA-N 2 1 418.585 4.054 20 30 HIEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433337453 859651937 /nfs/dbraw/zinc/65/19/37/859651937.db2.gz ZACMTZKXLYUWKM-FQEVSTJZSA-N 2 1 414.557 4.174 20 30 HIEDMP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@H]1CCCC[NH+]1C ZINC000441357420 866426956 /nfs/dbraw/zinc/42/69/56/866426956.db2.gz NQEUXSGWZBIXHZ-QGZVFWFLSA-N 2 1 402.608 4.023 20 30 HIEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@H]1CCCC[N@@H+]1C ZINC000441357420 866426961 /nfs/dbraw/zinc/42/69/61/866426961.db2.gz NQEUXSGWZBIXHZ-QGZVFWFLSA-N 2 1 402.608 4.023 20 30 HIEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@H]1CCCC[N@H+]1C ZINC000441357420 866426967 /nfs/dbraw/zinc/42/69/67/866426967.db2.gz NQEUXSGWZBIXHZ-QGZVFWFLSA-N 2 1 402.608 4.023 20 30 HIEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444667203 868946384 /nfs/dbraw/zinc/94/63/84/868946384.db2.gz SIHSNEZJBQZKBP-DSITVLBTSA-N 2 1 403.570 4.070 20 30 HIEDMP CC[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000447531062 871396061 /nfs/dbraw/zinc/39/60/61/871396061.db2.gz PTLFYCGFKNCLKT-RUZDIDTESA-N 2 1 407.558 4.289 20 30 HIEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478055528 893208812 /nfs/dbraw/zinc/20/88/12/893208812.db2.gz RPJQAXHLHPBCFI-FCHUYYIVSA-N 2 1 410.606 4.298 20 30 HIEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479930371 895280158 /nfs/dbraw/zinc/28/01/58/895280158.db2.gz VYXAHSNXLAOGQN-LJQANCHMSA-N 2 1 405.571 4.022 20 30 HIEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479930371 895280176 /nfs/dbraw/zinc/28/01/76/895280176.db2.gz VYXAHSNXLAOGQN-LJQANCHMSA-N 2 1 405.571 4.022 20 30 HIEDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000481032911 896360997 /nfs/dbraw/zinc/36/09/97/896360997.db2.gz JFEOFLPXDNZQPF-IRXDYDNUSA-N 2 1 420.395 4.032 20 30 HIEDMP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495373214 906410598 /nfs/dbraw/zinc/41/05/98/906410598.db2.gz DIOYCCWFJPGIAD-PXDATVDWSA-N 2 1 402.586 4.023 20 30 HIEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512599716 921254858 /nfs/dbraw/zinc/25/48/58/921254858.db2.gz IFSMEQSDKIWYEI-UHFFFAOYSA-N 2 1 418.585 4.367 20 30 HIEDMP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525858727 930469323 /nfs/dbraw/zinc/46/93/23/930469323.db2.gz YAEOQRGNUBKNJS-VXPHMXNRSA-N 2 1 404.558 4.143 20 30 HIEDMP C[NH+]1CCN([C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c2cccs2)CC1 ZINC000535784329 933386525 /nfs/dbraw/zinc/38/65/25/933386525.db2.gz IKEZWFUDRZRXDP-XERBYJISSA-N 2 1 408.615 4.030 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266925 938579066 /nfs/dbraw/zinc/57/90/66/938579066.db2.gz RRDUNQQAUPNAGY-CABCVRRESA-N 2 1 407.905 4.384 20 30 HIEDMP CC(C)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000539495655 938868607 /nfs/dbraw/zinc/86/86/07/938868607.db2.gz CJJSDMVAIYNKTH-MHZLTWQESA-N 2 1 416.613 4.195 20 30 HIEDMP CC(C)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000539495655 938868608 /nfs/dbraw/zinc/86/86/08/938868608.db2.gz CJJSDMVAIYNKTH-MHZLTWQESA-N 2 1 416.613 4.195 20 30 HIEDMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539509078 938870872 /nfs/dbraw/zinc/87/08/72/938870872.db2.gz SRLILKPBRZGVMG-GJZUVCINSA-N 2 1 416.613 4.413 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000539818816 938942731 /nfs/dbraw/zinc/94/27/31/938942731.db2.gz NVWHFSVGTSTAMM-DOTOQJQBSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000539818816 938942733 /nfs/dbraw/zinc/94/27/33/938942733.db2.gz NVWHFSVGTSTAMM-DOTOQJQBSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000539818816 938942739 /nfs/dbraw/zinc/94/27/39/938942739.db2.gz NVWHFSVGTSTAMM-DOTOQJQBSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000539818816 938942741 /nfs/dbraw/zinc/94/27/41/938942741.db2.gz NVWHFSVGTSTAMM-DOTOQJQBSA-N 2 1 411.384 4.327 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809965 940193461 /nfs/dbraw/zinc/19/34/61/940193461.db2.gz SZKTYOOEDSOLEX-LSDHHAIUSA-N 2 1 419.554 4.280 20 30 HIEDMP C=CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000237216409 853984517 /nfs/dbraw/zinc/98/45/17/853984517.db2.gz XAHOXKPWZHNWSO-BGYRXZFFSA-N 2 1 410.558 4.159 20 30 HIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303892037 855272758 /nfs/dbraw/zinc/27/27/58/855272758.db2.gz NJAJLXQSCZMCSK-GOSISDBHSA-N 2 1 408.546 4.007 20 30 HIEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@H]1c1cccs1 ZINC000304786244 855358991 /nfs/dbraw/zinc/35/89/91/855358991.db2.gz IKOVTCXQYLOQPF-DYVFJYSZSA-N 2 1 412.481 4.456 20 30 HIEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)sc2c1CCCCC2 ZINC000441447238 866521771 /nfs/dbraw/zinc/52/17/71/866521771.db2.gz KOWMJWMYEVSWQC-GOSISDBHSA-N 2 1 414.619 4.025 20 30 HIEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)sc2c1CCCCC2 ZINC000441447238 866521778 /nfs/dbraw/zinc/52/17/78/866521778.db2.gz KOWMJWMYEVSWQC-GOSISDBHSA-N 2 1 414.619 4.025 20 30 HIEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444667206 868945785 /nfs/dbraw/zinc/94/57/85/868945785.db2.gz SIHSNEZJBQZKBP-SDHSZQHLSA-N 2 1 403.570 4.070 20 30 HIEDMP N#Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1 ZINC000470170110 884448247 /nfs/dbraw/zinc/44/82/47/884448247.db2.gz OTQGDCICQNIBOL-KWDCZQRMSA-N 2 1 418.560 4.451 20 30 HIEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481919451 897304557 /nfs/dbraw/zinc/30/45/57/897304557.db2.gz RYBMEEZEIMTXHB-SANMLTNESA-N 2 1 402.586 4.253 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874700 898488471 /nfs/dbraw/zinc/48/84/71/898488471.db2.gz JLJNWCILVFMQOA-ZFJSRUIDSA-N 2 1 406.549 4.166 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874700 898488479 /nfs/dbraw/zinc/48/84/79/898488479.db2.gz JLJNWCILVFMQOA-ZFJSRUIDSA-N 2 1 406.549 4.166 20 30 HIEDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341739 900632680 /nfs/dbraw/zinc/63/26/80/900632680.db2.gz BRBIYCSBLVMRTF-DHIUTWEWSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341739 900632682 /nfs/dbraw/zinc/63/26/82/900632682.db2.gz BRBIYCSBLVMRTF-DHIUTWEWSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341739 900632686 /nfs/dbraw/zinc/63/26/86/900632686.db2.gz BRBIYCSBLVMRTF-DHIUTWEWSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341739 900632690 /nfs/dbraw/zinc/63/26/90/900632690.db2.gz BRBIYCSBLVMRTF-DHIUTWEWSA-N 2 1 405.542 4.062 20 30 HIEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501785566 910839096 /nfs/dbraw/zinc/83/90/96/910839096.db2.gz MEIILGMHRVKSSE-QGZVFWFLSA-N 2 1 416.635 4.269 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000516686127 923844193 /nfs/dbraw/zinc/84/41/93/923844193.db2.gz QKKYRMCXEQCEIZ-GOSISDBHSA-N 2 1 423.395 4.186 20 30 HIEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000530662912 930791442 /nfs/dbraw/zinc/79/14/42/930791442.db2.gz OADMEKQMFIWTMU-SJORKVTESA-N 2 1 402.608 4.022 20 30 HIEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000530662912 930791447 /nfs/dbraw/zinc/79/14/47/930791447.db2.gz OADMEKQMFIWTMU-SJORKVTESA-N 2 1 402.608 4.022 20 30 HIEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000530662912 930791450 /nfs/dbraw/zinc/79/14/50/930791450.db2.gz OADMEKQMFIWTMU-SJORKVTESA-N 2 1 402.608 4.022 20 30 HIEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595823 939314354 /nfs/dbraw/zinc/31/43/54/939314354.db2.gz FNXZWYVMIJKYJM-HFZDXXHNSA-N 2 1 402.586 4.023 20 30 HIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595823 939314358 /nfs/dbraw/zinc/31/43/58/939314358.db2.gz FNXZWYVMIJKYJM-HFZDXXHNSA-N 2 1 402.586 4.023 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027754 939434823 /nfs/dbraw/zinc/43/48/23/939434823.db2.gz KUJQOBCYDZTBEI-GIIQAUJJSA-N 2 1 407.562 4.151 20 30 HIEDMP C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599490 939563844 /nfs/dbraw/zinc/56/38/44/939563844.db2.gz GWDGRHFWDVLBPZ-IRXDYDNUSA-N 2 1 414.619 4.070 20 30 HIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000541910179 939651741 /nfs/dbraw/zinc/65/17/41/939651741.db2.gz CIZDRDPGZKWZDB-URXFXBBRSA-N 2 1 408.615 4.257 20 30 HIEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000541910179 939651743 /nfs/dbraw/zinc/65/17/43/939651743.db2.gz CIZDRDPGZKWZDB-URXFXBBRSA-N 2 1 408.615 4.257 20 30 HIEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543770427 940181067 /nfs/dbraw/zinc/18/10/67/940181067.db2.gz IYNAJHPYWYKARO-LVXARBLLSA-N 2 1 402.586 4.165 20 30 HIEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000543770427 940181072 /nfs/dbraw/zinc/18/10/72/940181072.db2.gz IYNAJHPYWYKARO-LVXARBLLSA-N 2 1 402.586 4.165 20 30 HIEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868146 941220836 /nfs/dbraw/zinc/22/08/36/941220836.db2.gz OVVUWTYKBNJFPY-XMMPIXPASA-N 2 1 406.570 4.270 20 30 HIEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550262693 941305127 /nfs/dbraw/zinc/30/51/27/941305127.db2.gz OBLCDGMHEGTXMZ-XMMPIXPASA-N 2 1 406.570 4.270 20 30 HIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000566331115 946002399 /nfs/dbraw/zinc/00/23/99/946002399.db2.gz ODOIKYOEIXWMFY-RUZDIDTESA-N 2 1 402.586 4.417 20 30 HIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000566331115 946002407 /nfs/dbraw/zinc/00/24/07/946002407.db2.gz ODOIKYOEIXWMFY-RUZDIDTESA-N 2 1 402.586 4.417 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000061003146 851269624 /nfs/dbraw/zinc/26/96/24/851269624.db2.gz CZXBNYDTMJIEIR-UHFFFAOYSA-N 2 1 411.384 4.421 20 30 HIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000236692294 853912317 /nfs/dbraw/zinc/91/23/17/853912317.db2.gz NDCRNPRDANJDNS-UHFFFAOYSA-N 2 1 404.558 4.352 20 30 HIEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304756555 855357823 /nfs/dbraw/zinc/35/78/23/855357823.db2.gz NTXZJAZVPJTGML-QFBILLFUSA-N 2 1 424.536 4.297 20 30 HIEDMP C=CCC[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000427173275 856690417 /nfs/dbraw/zinc/69/04/17/856690417.db2.gz XKDVENKPTPPSPY-RUZDIDTESA-N 2 1 411.634 4.391 20 30 HIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433337454 859652117 /nfs/dbraw/zinc/65/21/17/859652117.db2.gz ZACMTZKXLYUWKM-HXUWFJFHSA-N 2 1 414.557 4.174 20 30 HIEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443609484 868174912 /nfs/dbraw/zinc/17/49/12/868174912.db2.gz ZOTQNNVYIIGCNT-QGZVFWFLSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463283741 876341409 /nfs/dbraw/zinc/34/14/09/876341409.db2.gz POOZJOCUKOTPRI-DAZPURJESA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463283741 876341429 /nfs/dbraw/zinc/34/14/29/876341429.db2.gz POOZJOCUKOTPRI-DAZPURJESA-N 2 1 404.558 4.286 20 30 HIEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240629 885816348 /nfs/dbraw/zinc/81/63/48/885816348.db2.gz ACYQTVOFIHITMA-WMZHIEFXSA-N 2 1 407.558 4.308 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240629 885816351 /nfs/dbraw/zinc/81/63/51/885816351.db2.gz ACYQTVOFIHITMA-WMZHIEFXSA-N 2 1 407.558 4.308 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240629 885816353 /nfs/dbraw/zinc/81/63/53/885816353.db2.gz ACYQTVOFIHITMA-WMZHIEFXSA-N 2 1 407.558 4.308 20 30 HIEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1 ZINC000499161927 908516070 /nfs/dbraw/zinc/51/60/70/908516070.db2.gz OTQGDCICQNIBOL-JLLPCOHGSA-N 2 1 418.560 4.451 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000513056417 921512449 /nfs/dbraw/zinc/51/24/49/921512449.db2.gz GSIIRHPEMHWECQ-UEVCKROQSA-N 2 1 406.549 4.309 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000513056417 921512458 /nfs/dbraw/zinc/51/24/58/921512458.db2.gz GSIIRHPEMHWECQ-UEVCKROQSA-N 2 1 406.549 4.309 20 30 HIEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487168 915093322 /nfs/dbraw/zinc/09/33/22/915093322.db2.gz NSPWCCLZYXOKBH-MSOLQXFVSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487168 915093342 /nfs/dbraw/zinc/09/33/42/915093342.db2.gz NSPWCCLZYXOKBH-MSOLQXFVSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487168 915093360 /nfs/dbraw/zinc/09/33/60/915093360.db2.gz NSPWCCLZYXOKBH-MSOLQXFVSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487168 915093380 /nfs/dbraw/zinc/09/33/80/915093380.db2.gz NSPWCCLZYXOKBH-MSOLQXFVSA-N 2 1 414.619 4.023 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC ZINC000508571238 917345671 /nfs/dbraw/zinc/34/56/71/917345671.db2.gz UAFAIJQEBGOYRR-MRXNPFEDSA-N 2 1 411.384 4.186 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCC ZINC000508571238 917345674 /nfs/dbraw/zinc/34/56/74/917345674.db2.gz UAFAIJQEBGOYRR-MRXNPFEDSA-N 2 1 411.384 4.186 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000508571238 917345681 /nfs/dbraw/zinc/34/56/81/917345681.db2.gz UAFAIJQEBGOYRR-MRXNPFEDSA-N 2 1 411.384 4.186 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000508571238 917345697 /nfs/dbraw/zinc/34/56/97/917345697.db2.gz UAFAIJQEBGOYRR-MRXNPFEDSA-N 2 1 411.384 4.186 20 30 HIEDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000530631042 930779211 /nfs/dbraw/zinc/77/92/11/930779211.db2.gz MJIGTKRZGXPKFQ-UHFFFAOYSA-N 2 1 407.558 4.116 20 30 HIEDMP C=CCc1cc(C[N@@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(OC)c1O ZINC000537624806 938337857 /nfs/dbraw/zinc/33/78/57/938337857.db2.gz QXLOJBXUAQHBEF-UHFFFAOYSA-N 2 1 424.589 4.417 20 30 HIEDMP C=CCc1cc(C[N@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(OC)c1O ZINC000537624806 938337861 /nfs/dbraw/zinc/33/78/61/938337861.db2.gz QXLOJBXUAQHBEF-UHFFFAOYSA-N 2 1 424.589 4.417 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266927 938578914 /nfs/dbraw/zinc/57/89/14/938578914.db2.gz RRDUNQQAUPNAGY-HUUCEWRRSA-N 2 1 407.905 4.384 20 30 HIEDMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000538727723 938693812 /nfs/dbraw/zinc/69/38/12/938693812.db2.gz REXDCPLHXFFPEB-AZGAKELHSA-N 2 1 402.586 4.489 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026936 939434034 /nfs/dbraw/zinc/43/40/34/939434034.db2.gz JJEPHLQQBRGOHS-ZWKOTPCHSA-N 2 1 419.504 4.306 20 30 HIEDMP N#Cc1ccc(OC2CCC([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)CC2)nc1 ZINC000542008074 939683103 /nfs/dbraw/zinc/68/31/03/939683103.db2.gz JGDOBNIMYXMZKZ-UHFFFAOYSA-N 2 1 422.548 4.079 20 30 HIEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529811 939838345 /nfs/dbraw/zinc/83/83/45/939838345.db2.gz UEIHPWCDWZZWQL-CEXWTWQISA-N 2 1 414.619 4.119 20 30 HIEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529811 939838347 /nfs/dbraw/zinc/83/83/47/939838347.db2.gz UEIHPWCDWZZWQL-CEXWTWQISA-N 2 1 414.619 4.119 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809964 940193314 /nfs/dbraw/zinc/19/33/14/940193314.db2.gz SZKTYOOEDSOLEX-HUUCEWRRSA-N 2 1 419.554 4.280 20 30 HIEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231468 942823116 /nfs/dbraw/zinc/82/31/16/942823116.db2.gz AIOXWYHPUAXQDS-UKILVPOCSA-N 2 1 401.554 4.064 20 30 HIEDMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000573708771 948278565 /nfs/dbraw/zinc/27/85/65/948278565.db2.gz YGDASGXNVAZSIC-ZJSXRUAMSA-N 2 1 402.586 4.417 20 30 HIEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103706 862291485 /nfs/dbraw/zinc/29/14/85/862291485.db2.gz BAQQZQKUOQUTNE-OIULLBJASA-N 2 1 404.558 4.143 20 30 HIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103706 862291513 /nfs/dbraw/zinc/29/15/13/862291513.db2.gz BAQQZQKUOQUTNE-OIULLBJASA-N 2 1 404.558 4.143 20 30 HIEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240627 885816708 /nfs/dbraw/zinc/81/67/08/885816708.db2.gz ACYQTVOFIHITMA-AUSIDOKSSA-N 2 1 407.558 4.308 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240627 885816713 /nfs/dbraw/zinc/81/67/13/885816713.db2.gz ACYQTVOFIHITMA-AUSIDOKSSA-N 2 1 407.558 4.308 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240627 885816720 /nfs/dbraw/zinc/81/67/20/885816720.db2.gz ACYQTVOFIHITMA-AUSIDOKSSA-N 2 1 407.558 4.308 20 30 HIEDMP N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)nc1 ZINC000507465633 916233521 /nfs/dbraw/zinc/23/35/21/916233521.db2.gz BKLDRZOILPSRQR-MQEXIPMMSA-N 2 1 416.569 4.143 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC ZINC000508571235 917345266 /nfs/dbraw/zinc/34/52/66/917345266.db2.gz UAFAIJQEBGOYRR-INIZCTEOSA-N 2 1 411.384 4.186 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCC ZINC000508571235 917345286 /nfs/dbraw/zinc/34/52/86/917345286.db2.gz UAFAIJQEBGOYRR-INIZCTEOSA-N 2 1 411.384 4.186 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000508571235 917345303 /nfs/dbraw/zinc/34/53/03/917345303.db2.gz UAFAIJQEBGOYRR-INIZCTEOSA-N 2 1 411.384 4.186 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCC ZINC000508571235 917345322 /nfs/dbraw/zinc/34/53/22/917345322.db2.gz UAFAIJQEBGOYRR-INIZCTEOSA-N 2 1 411.384 4.186 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000511525757 920144726 /nfs/dbraw/zinc/14/47/26/920144726.db2.gz LNDVHDDPSARKJI-UHFFFAOYSA-N 2 1 411.384 4.186 20 30 HIEDMP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525858724 930469467 /nfs/dbraw/zinc/46/94/67/930469467.db2.gz YAEOQRGNUBKNJS-HLBVYFGSSA-N 2 1 404.558 4.143 20 30 HIEDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000530870433 930844098 /nfs/dbraw/zinc/84/40/98/930844098.db2.gz MYXRBOHDDMLNCP-UHFFFAOYSA-N 2 1 407.558 4.116 20 30 HIEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532949828 931708447 /nfs/dbraw/zinc/70/84/47/931708447.db2.gz XHLIDPCDQNLQKK-KRWDZBQOSA-N 2 1 416.635 4.268 20 30 HIEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532949828 931708458 /nfs/dbraw/zinc/70/84/58/931708458.db2.gz XHLIDPCDQNLQKK-KRWDZBQOSA-N 2 1 416.635 4.268 20 30 HIEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988382 931727875 /nfs/dbraw/zinc/72/78/75/931727875.db2.gz PHGSPQIOQLCBJZ-XXBNENTESA-N 2 1 407.558 4.450 20 30 HIEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988382 931727881 /nfs/dbraw/zinc/72/78/81/931727881.db2.gz PHGSPQIOQLCBJZ-XXBNENTESA-N 2 1 407.558 4.450 20 30 HIEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988382 931727886 /nfs/dbraw/zinc/72/78/86/931727886.db2.gz PHGSPQIOQLCBJZ-XXBNENTESA-N 2 1 407.558 4.450 20 30 HIEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988382 931727889 /nfs/dbraw/zinc/72/78/89/931727889.db2.gz PHGSPQIOQLCBJZ-XXBNENTESA-N 2 1 407.558 4.450 20 30 HIEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988379 931728292 /nfs/dbraw/zinc/72/82/92/931728292.db2.gz PHGSPQIOQLCBJZ-AUSIDOKSSA-N 2 1 407.558 4.450 20 30 HIEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988379 931728296 /nfs/dbraw/zinc/72/82/96/931728296.db2.gz PHGSPQIOQLCBJZ-AUSIDOKSSA-N 2 1 407.558 4.450 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988379 931728300 /nfs/dbraw/zinc/72/83/00/931728300.db2.gz PHGSPQIOQLCBJZ-AUSIDOKSSA-N 2 1 407.558 4.450 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988379 931728303 /nfs/dbraw/zinc/72/83/03/931728303.db2.gz PHGSPQIOQLCBJZ-AUSIDOKSSA-N 2 1 407.558 4.450 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027752 939435172 /nfs/dbraw/zinc/43/51/72/939435172.db2.gz KUJQOBCYDZTBEI-FZQSFKQPSA-N 2 1 407.562 4.151 20 30 HIEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231459 942823289 /nfs/dbraw/zinc/82/32/89/942823289.db2.gz AIOXWYHPUAXQDS-NOZRDPDXSA-N 2 1 401.554 4.064 20 30 HIEDMP C=C(C)COc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1OC ZINC000060949217 851255430 /nfs/dbraw/zinc/25/54/30/851255430.db2.gz UVGBETBUDNPAHY-FQEVSTJZSA-N 2 1 410.558 4.161 20 30 HIEDMP C=C(C)COc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1OC ZINC000060949217 851255438 /nfs/dbraw/zinc/25/54/38/851255438.db2.gz UVGBETBUDNPAHY-FQEVSTJZSA-N 2 1 410.558 4.161 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1OC ZINC000061558255 851404972 /nfs/dbraw/zinc/40/49/72/851404972.db2.gz FGIUOPHTSWUFGS-UHFFFAOYSA-N 2 1 411.384 4.234 20 30 HIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)c(OCCC)c(OC)c2)CC1 ZINC000236988673 853947352 /nfs/dbraw/zinc/94/73/52/853947352.db2.gz HQVRNTIBQSSUJK-UHFFFAOYSA-N 2 1 411.384 4.377 20 30 HIEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000237830912 854105539 /nfs/dbraw/zinc/10/55/39/854105539.db2.gz CVBHDHHVMYEUTL-QHCPKHFHSA-N 2 1 413.569 4.118 20 30 HIEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303904689 855279224 /nfs/dbraw/zinc/27/92/24/855279224.db2.gz YYWCVZIAUUTXHL-CQSZACIVSA-N 2 1 412.481 4.286 20 30 HIEDMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304467586 855355541 /nfs/dbraw/zinc/35/55/41/855355541.db2.gz CFBMDNWHNHXAQL-UHFFFAOYSA-N 2 1 416.525 4.238 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1F ZINC000305259189 855361136 /nfs/dbraw/zinc/36/11/36/855361136.db2.gz XJCBKDMLACOHEB-UHFFFAOYSA-N 2 1 407.371 4.145 20 30 HIEDMP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1OCCCC#N ZINC000435057319 860619791 /nfs/dbraw/zinc/61/97/91/860619791.db2.gz BIXSAQGTEZZSDQ-UHFFFAOYSA-N 2 1 408.546 4.290 20 30 HIEDMP C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000463270859 876329258 /nfs/dbraw/zinc/32/92/58/876329258.db2.gz ZSQCTPHCUPRSKV-AREMUKBSSA-N 2 1 402.586 4.023 20 30 HIEDMP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000463270859 876329263 /nfs/dbraw/zinc/32/92/63/876329263.db2.gz ZSQCTPHCUPRSKV-AREMUKBSSA-N 2 1 402.586 4.023 20 30 HIEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000463654159 876775472 /nfs/dbraw/zinc/77/54/72/876775472.db2.gz VCUXREQJEVPNIA-UHFFFAOYSA-N 2 1 408.512 4.210 20 30 HIEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(I)cc2)CC1 ZINC000474713974 889572836 /nfs/dbraw/zinc/57/28/36/889572836.db2.gz YKGYTFYXXOVYIX-MRXNPFEDSA-N 2 1 412.359 4.242 20 30 HIEDMP C=CCCc1ccccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000505061281 913800165 /nfs/dbraw/zinc/80/01/65/913800165.db2.gz JIICECYOXNKGGZ-UHFFFAOYSA-N 2 1 412.622 4.465 20 30 HIEDMP C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023851 910242412 /nfs/dbraw/zinc/24/24/12/910242412.db2.gz LZXHBPUCPCVWML-UHFFFAOYSA-N 2 1 410.587 4.147 20 30 HIEDMP CCC[N@H+](Cc1cn2ccccc2c1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247773 918784612 /nfs/dbraw/zinc/78/46/12/918784612.db2.gz AIMABLBAYAGYET-UHFFFAOYSA-N 2 1 402.546 4.099 20 30 HIEDMP CCC[N@@H+](Cc1cn2ccccc2c1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510247773 918784617 /nfs/dbraw/zinc/78/46/17/918784617.db2.gz AIMABLBAYAGYET-UHFFFAOYSA-N 2 1 402.546 4.099 20 30 HIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000510984336 919538729 /nfs/dbraw/zinc/53/87/29/919538729.db2.gz KCOKRJKADRUBDI-AREMUKBSSA-N 2 1 416.613 4.413 20 30 HIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000510984336 919538749 /nfs/dbraw/zinc/53/87/49/919538749.db2.gz KCOKRJKADRUBDI-AREMUKBSSA-N 2 1 416.613 4.413 20 30 HIEDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N ZINC000531391221 931041881 /nfs/dbraw/zinc/04/18/81/931041881.db2.gz ZQYSUFSIOOSOAA-REWPJTCUSA-N 2 1 407.558 4.378 20 30 HIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000532321909 931396914 /nfs/dbraw/zinc/39/69/14/931396914.db2.gz WISDDAFHIXCURU-UHFFFAOYSA-N 2 1 402.174 4.342 20 30 HIEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426322 931865042 /nfs/dbraw/zinc/86/50/42/931865042.db2.gz IABHAIJEPCDNTG-MSOLQXFVSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426322 931865044 /nfs/dbraw/zinc/86/50/44/931865044.db2.gz IABHAIJEPCDNTG-MSOLQXFVSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000538507840 938638410 /nfs/dbraw/zinc/63/84/10/938638410.db2.gz HBWCDXUNQUAJJG-SFHVURJKSA-N 2 1 411.521 4.038 20 30 HIEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541024838 939433510 /nfs/dbraw/zinc/43/35/10/939433510.db2.gz SFCSCGOQFKZTOW-ZWKOTPCHSA-N 2 1 408.571 4.496 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000541957586 939662865 /nfs/dbraw/zinc/66/28/65/939662865.db2.gz GQDUSYWYGYFCER-HXUWFJFHSA-N 2 1 415.541 4.395 20 30 HIEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529812 939838305 /nfs/dbraw/zinc/83/83/05/939838305.db2.gz UEIHPWCDWZZWQL-GUDVDZBRSA-N 2 1 414.619 4.119 20 30 HIEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529812 939838307 /nfs/dbraw/zinc/83/83/07/939838307.db2.gz UEIHPWCDWZZWQL-GUDVDZBRSA-N 2 1 414.619 4.119 20 30 HIEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC)CC1 ZINC000553865829 941987474 /nfs/dbraw/zinc/98/74/74/941987474.db2.gz ASHPFIVFGKMTSB-NRFANRHFSA-N 2 1 407.002 4.063 20 30 HIEDMP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000437085349 862278888 /nfs/dbraw/zinc/27/88/88/862278888.db2.gz ZUCZLRMJPHGCDM-PKFSMUTISA-N 2 1 416.569 4.143 20 30 HIEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)c1cccc(OC)c1 ZINC000303779279 855193662 /nfs/dbraw/zinc/19/36/62/855193662.db2.gz KIFDTEWTCPIBTE-IBGZPJMESA-N 2 1 404.942 4.167 20 30 HIEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)C2CCCCC2)cc1OC ZINC000303882438 855268440 /nfs/dbraw/zinc/26/84/40/855268440.db2.gz LLZXYCMSSNUPHB-UHFFFAOYSA-N 2 1 410.562 4.395 20 30 HIEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305666552 855360887 /nfs/dbraw/zinc/36/08/87/855360887.db2.gz IGMXVADHRSSCON-DYESRHJHSA-N 2 1 400.929 4.387 20 30 HIEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000305239833 855361036 /nfs/dbraw/zinc/36/10/36/855361036.db2.gz QKGGZYYUDPKVCO-SFHVURJKSA-N 2 1 422.451 4.158 20 30 HIEDMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CCCC#N)c3ccccc3)CC2)cc1 ZINC000433029999 859489487 /nfs/dbraw/zinc/48/94/87/859489487.db2.gz UWHVWJWNJLLZJM-RUZDIDTESA-N 2 1 418.585 4.054 20 30 HIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435125238 860652081 /nfs/dbraw/zinc/65/20/81/860652081.db2.gz VXHFWLDBUIKYFL-OAQYLSRUSA-N 2 1 420.605 4.335 20 30 HIEDMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000447531066 871396240 /nfs/dbraw/zinc/39/62/40/871396240.db2.gz PTLFYCGFKNCLKT-VWLOTQADSA-N 2 1 407.558 4.289 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463283740 876342279 /nfs/dbraw/zinc/34/22/79/876342279.db2.gz POOZJOCUKOTPRI-BSMGPNNRSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463283740 876342291 /nfs/dbraw/zinc/34/22/91/876342291.db2.gz POOZJOCUKOTPRI-BSMGPNNRSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501778206 910832662 /nfs/dbraw/zinc/83/26/62/910832662.db2.gz UDLRUHQVQGODGN-SFHVURJKSA-N 2 1 402.608 4.073 20 30 HIEDMP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000506889442 915684074 /nfs/dbraw/zinc/68/40/74/915684074.db2.gz NUMMRZYXTBMSJI-IBGZPJMESA-N 2 1 422.598 4.129 20 30 HIEDMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000506889442 915684081 /nfs/dbraw/zinc/68/40/81/915684081.db2.gz NUMMRZYXTBMSJI-IBGZPJMESA-N 2 1 422.598 4.129 20 30 HIEDMP N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC2)nc1 ZINC000507465612 916234016 /nfs/dbraw/zinc/23/40/16/916234016.db2.gz BKLDRZOILPSRQR-JEZXRVLCSA-N 2 1 416.569 4.143 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000520208436 928389709 /nfs/dbraw/zinc/38/97/09/928389709.db2.gz XKEOPHPPJHRVST-MRXNPFEDSA-N 2 1 411.384 4.377 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000520208436 928389723 /nfs/dbraw/zinc/38/97/23/928389723.db2.gz XKEOPHPPJHRVST-MRXNPFEDSA-N 2 1 411.384 4.377 20 30 HIEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000530662909 930790650 /nfs/dbraw/zinc/79/06/50/930790650.db2.gz OADMEKQMFIWTMU-IAGOWNOFSA-N 2 1 402.608 4.022 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000530662909 930790656 /nfs/dbraw/zinc/79/06/56/930790656.db2.gz OADMEKQMFIWTMU-IAGOWNOFSA-N 2 1 402.608 4.022 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000530662909 930790663 /nfs/dbraw/zinc/79/06/63/930790663.db2.gz OADMEKQMFIWTMU-IAGOWNOFSA-N 2 1 402.608 4.022 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000538717012 938689196 /nfs/dbraw/zinc/68/91/96/938689196.db2.gz WOTVAJJRWNISHK-RDJZCZTQSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000538717012 938689199 /nfs/dbraw/zinc/68/91/99/938689199.db2.gz WOTVAJJRWNISHK-RDJZCZTQSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000538717012 938689202 /nfs/dbraw/zinc/68/92/02/938689202.db2.gz WOTVAJJRWNISHK-RDJZCZTQSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000538717012 938689204 /nfs/dbraw/zinc/68/92/04/938689204.db2.gz WOTVAJJRWNISHK-RDJZCZTQSA-N 2 1 411.384 4.327 20 30 HIEDMP CC(C)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000539495654 938868535 /nfs/dbraw/zinc/86/85/35/938868535.db2.gz CJJSDMVAIYNKTH-HHHXNRCGSA-N 2 1 416.613 4.195 20 30 HIEDMP CC(C)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000539495654 938868536 /nfs/dbraw/zinc/86/85/36/938868536.db2.gz CJJSDMVAIYNKTH-HHHXNRCGSA-N 2 1 416.613 4.195 20 30 HIEDMP C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599491 939564042 /nfs/dbraw/zinc/56/40/42/939564042.db2.gz GWDGRHFWDVLBPZ-SJORKVTESA-N 2 1 414.619 4.070 20 30 HIEDMP C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599488 939564073 /nfs/dbraw/zinc/56/40/73/939564073.db2.gz GWDGRHFWDVLBPZ-DLBZAZTESA-N 2 1 414.619 4.070 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000543459550 940069518 /nfs/dbraw/zinc/06/95/18/940069518.db2.gz VYNCXFWGTRKMER-FSSWDIPSSA-N 2 1 410.606 4.181 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000543459550 940069523 /nfs/dbraw/zinc/06/95/23/940069523.db2.gz VYNCXFWGTRKMER-FSSWDIPSSA-N 2 1 410.606 4.181 20 30 HIEDMP C[C@@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000463277087 876334406 /nfs/dbraw/zinc/33/44/06/876334406.db2.gz ROYNSVOEEOHDGO-SANMLTNESA-N 2 1 402.586 4.167 20 30 HIEDMP C[C@@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000463277087 876334422 /nfs/dbraw/zinc/33/44/22/876334422.db2.gz ROYNSVOEEOHDGO-SANMLTNESA-N 2 1 402.586 4.167 20 30 HIEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(I)cc2)CC1 ZINC000474713973 889572765 /nfs/dbraw/zinc/57/27/65/889572765.db2.gz YKGYTFYXXOVYIX-INIZCTEOSA-N 2 1 412.359 4.242 20 30 HIEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000481032909 896360383 /nfs/dbraw/zinc/36/03/83/896360383.db2.gz JFEOFLPXDNZQPF-CALCHBBNSA-N 2 1 420.395 4.032 20 30 HIEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000481032909 896360402 /nfs/dbraw/zinc/36/04/02/896360402.db2.gz JFEOFLPXDNZQPF-CALCHBBNSA-N 2 1 420.395 4.032 20 30 HIEDMP CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000490394147 903979472 /nfs/dbraw/zinc/97/94/72/903979472.db2.gz BOIHADUKAZEYNB-UHFFFAOYSA-N 2 1 414.557 4.092 20 30 HIEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(C#N)ccc1C(F)(F)F ZINC000500697564 910030256 /nfs/dbraw/zinc/03/02/56/910030256.db2.gz MMVIBBIDSAIERV-UHFFFAOYSA-N 2 1 408.512 4.210 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506340427 914958244 /nfs/dbraw/zinc/95/82/44/914958244.db2.gz LYUJGBMNOGAEMB-UHFFFAOYSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506340427 914958257 /nfs/dbraw/zinc/95/82/57/914958257.db2.gz LYUJGBMNOGAEMB-UHFFFAOYSA-N 2 1 411.384 4.327 20 30 HIEDMP C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508719640 917481122 /nfs/dbraw/zinc/48/11/22/917481122.db2.gz LGNJJGDOKKDGQC-HLBVYFGSSA-N 2 1 404.558 4.143 20 30 HIEDMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000520898829 928865553 /nfs/dbraw/zinc/86/55/53/928865553.db2.gz BUFOKHKXDXYKAO-QHCPKHFHSA-N 2 1 413.569 4.351 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000538266819 938579017 /nfs/dbraw/zinc/57/90/17/938579017.db2.gz MKOTXHDQTDWURB-FQEVSTJZSA-N 2 1 415.541 4.395 20 30 HIEDMP CN(c1ccccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000538727724 938693743 /nfs/dbraw/zinc/69/37/43/938693743.db2.gz REXDCPLHXFFPEB-RSXGOPAZSA-N 2 1 402.586 4.489 20 30 HIEDMP C[C@@H]1C[NH+](Cc2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000543759033 940177218 /nfs/dbraw/zinc/17/72/18/940177218.db2.gz WMDINOCLTZAFON-NHCUHLMSSA-N 2 1 418.585 4.244 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809963 940193343 /nfs/dbraw/zinc/19/33/43/940193343.db2.gz SZKTYOOEDSOLEX-GJZGRUSLSA-N 2 1 419.554 4.280 20 30 HIEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000556231476 942823223 /nfs/dbraw/zinc/82/32/23/942823223.db2.gz AIOXWYHPUAXQDS-ZCYQVOJMSA-N 2 1 401.554 4.064 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000237635548 854065911 /nfs/dbraw/zinc/06/59/11/854065911.db2.gz QAMHDVCRKDPVCF-OYRHEFFESA-N 2 1 407.558 4.268 20 30 HIEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508981 854997849 /nfs/dbraw/zinc/99/78/49/854997849.db2.gz BHVFOQWQNCHMDL-MSOLQXFVSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508981 854997858 /nfs/dbraw/zinc/99/78/58/854997858.db2.gz BHVFOQWQNCHMDL-MSOLQXFVSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508981 854997869 /nfs/dbraw/zinc/99/78/69/854997869.db2.gz BHVFOQWQNCHMDL-MSOLQXFVSA-N 2 1 402.970 4.127 20 30 HIEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000303786517 855197741 /nfs/dbraw/zinc/19/77/41/855197741.db2.gz RMPNFZBAGGZRMJ-FQEVSTJZSA-N 2 1 416.953 4.311 20 30 HIEDMP COc1cccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)[NH+]2CCCC2)c1 ZINC000305236286 855359855 /nfs/dbraw/zinc/35/98/55/855359855.db2.gz NTSMSHADSDWBEA-SFHVURJKSA-N 2 1 422.451 4.158 20 30 HIEDMP Cc1oc(NC(=O)[C@H](C)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478044613 893183838 /nfs/dbraw/zinc/18/38/38/893183838.db2.gz GXRLQUZFZUDDGU-WMZOPIPTSA-N 2 1 400.567 4.072 20 30 HIEDMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341745 900632457 /nfs/dbraw/zinc/63/24/57/900632457.db2.gz BRBIYCSBLVMRTF-GOTSBHOMSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341745 900632460 /nfs/dbraw/zinc/63/24/60/900632460.db2.gz BRBIYCSBLVMRTF-GOTSBHOMSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341745 900632463 /nfs/dbraw/zinc/63/24/63/900632463.db2.gz BRBIYCSBLVMRTF-GOTSBHOMSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341745 900632466 /nfs/dbraw/zinc/63/24/66/900632466.db2.gz BRBIYCSBLVMRTF-GOTSBHOMSA-N 2 1 405.542 4.062 20 30 HIEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000490592852 904122993 /nfs/dbraw/zinc/12/29/93/904122993.db2.gz SQZBCXFQSFJFNX-HXUWFJFHSA-N 2 1 405.590 4.435 20 30 HIEDMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000491056678 904400375 /nfs/dbraw/zinc/40/03/75/904400375.db2.gz CEASEOVAVOPNFN-UHFFFAOYSA-N 2 1 405.590 4.293 20 30 HIEDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000492661424 904884346 /nfs/dbraw/zinc/88/43/46/904884346.db2.gz RAZRKFZYEYDIJB-QGZVFWFLSA-N 2 1 422.598 4.211 20 30 HIEDMP C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501030893 910247634 /nfs/dbraw/zinc/24/76/34/910247634.db2.gz XOZPMMGBHIHMRQ-UHFFFAOYSA-N 2 1 403.448 4.180 20 30 HIEDMP C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508719644 917481167 /nfs/dbraw/zinc/48/11/67/917481167.db2.gz LGNJJGDOKKDGQC-VJGHCQHZSA-N 2 1 404.558 4.143 20 30 HIEDMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533310414 931835916 /nfs/dbraw/zinc/83/59/16/931835916.db2.gz PJWIQCCBIFXKJQ-UHFFFAOYSA-N 2 1 407.558 4.452 20 30 HIEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533310414 931835920 /nfs/dbraw/zinc/83/59/20/931835920.db2.gz PJWIQCCBIFXKJQ-UHFFFAOYSA-N 2 1 407.558 4.452 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266926 938578998 /nfs/dbraw/zinc/57/89/98/938578998.db2.gz RRDUNQQAUPNAGY-GJZGRUSLSA-N 2 1 407.905 4.384 20 30 HIEDMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000538727722 938694068 /nfs/dbraw/zinc/69/40/68/938694068.db2.gz REXDCPLHXFFPEB-AOYPEHQESA-N 2 1 402.586 4.489 20 30 HIEDMP CN(c1ccccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000538727721 938694146 /nfs/dbraw/zinc/69/41/46/938694146.db2.gz REXDCPLHXFFPEB-AHWVRZQESA-N 2 1 402.586 4.489 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000539818820 938942308 /nfs/dbraw/zinc/94/23/08/938942308.db2.gz NVWHFSVGTSTAMM-WBVHZDCISA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000539818820 938942315 /nfs/dbraw/zinc/94/23/15/938942315.db2.gz NVWHFSVGTSTAMM-WBVHZDCISA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000539818820 938942316 /nfs/dbraw/zinc/94/23/16/938942316.db2.gz NVWHFSVGTSTAMM-WBVHZDCISA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000539818820 938942317 /nfs/dbraw/zinc/94/23/17/938942317.db2.gz NVWHFSVGTSTAMM-WBVHZDCISA-N 2 1 411.384 4.327 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595834 939314787 /nfs/dbraw/zinc/31/47/87/939314787.db2.gz FNXZWYVMIJKYJM-RLWLMLJZSA-N 2 1 402.586 4.023 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595834 939314791 /nfs/dbraw/zinc/31/47/91/939314791.db2.gz FNXZWYVMIJKYJM-RLWLMLJZSA-N 2 1 402.586 4.023 20 30 HIEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000556252415 942826442 /nfs/dbraw/zinc/82/64/42/942826442.db2.gz CEISPRDKPJEGOH-OOEPIQFGSA-N 2 1 416.569 4.086 20 30 HIEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)CC1 ZINC000439458773 864839121 /nfs/dbraw/zinc/83/91/21/864839121.db2.gz ULKGJUDPWFQGKK-INIZCTEOSA-N 2 1 400.929 4.343 20 30 HIEDMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341747 900632550 /nfs/dbraw/zinc/63/25/50/900632550.db2.gz BRBIYCSBLVMRTF-PKTZIBPZSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341747 900632554 /nfs/dbraw/zinc/63/25/54/900632554.db2.gz BRBIYCSBLVMRTF-PKTZIBPZSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341747 900632558 /nfs/dbraw/zinc/63/25/58/900632558.db2.gz BRBIYCSBLVMRTF-PKTZIBPZSA-N 2 1 405.542 4.062 20 30 HIEDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341747 900632560 /nfs/dbraw/zinc/63/25/60/900632560.db2.gz BRBIYCSBLVMRTF-PKTZIBPZSA-N 2 1 405.542 4.062 20 30 HIEDMP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495373213 906410745 /nfs/dbraw/zinc/41/07/45/906410745.db2.gz DIOYCCWFJPGIAD-OFVILXPXSA-N 2 1 402.586 4.023 20 30 HIEDMP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495373212 906410984 /nfs/dbraw/zinc/41/09/84/906410984.db2.gz DIOYCCWFJPGIAD-BWKNWUBXSA-N 2 1 402.586 4.023 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OCC ZINC000506885006 915678154 /nfs/dbraw/zinc/67/81/54/915678154.db2.gz OCVQRRFCEJWAMO-UHFFFAOYSA-N 2 1 411.384 4.186 20 30 HIEDMP C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508719643 917481365 /nfs/dbraw/zinc/48/13/65/917481365.db2.gz LGNJJGDOKKDGQC-OVAXGASASA-N 2 1 404.558 4.143 20 30 HIEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000532951112 931708290 /nfs/dbraw/zinc/70/82/90/931708290.db2.gz SYKAHFSDHPCQBB-GOSISDBHSA-N 2 1 402.608 4.072 20 30 HIEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000532951112 931708296 /nfs/dbraw/zinc/70/82/96/931708296.db2.gz SYKAHFSDHPCQBB-GOSISDBHSA-N 2 1 402.608 4.072 20 30 HIEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538398757 938611204 /nfs/dbraw/zinc/61/12/04/938611204.db2.gz SSHJXTSUWSCXFJ-UHFFFAOYSA-N 2 1 402.586 4.085 20 30 HIEDMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000538507839 938638272 /nfs/dbraw/zinc/63/82/72/938638272.db2.gz HBWCDXUNQUAJJG-GOSISDBHSA-N 2 1 411.521 4.038 20 30 HIEDMP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000542529688 939837974 /nfs/dbraw/zinc/83/79/74/939837974.db2.gz PCDCPUCGJSYAHB-OALUTQOASA-N 2 1 416.997 4.138 20 30 HIEDMP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1Cl ZINC000542529688 939837975 /nfs/dbraw/zinc/83/79/75/939837975.db2.gz PCDCPUCGJSYAHB-OALUTQOASA-N 2 1 416.997 4.138 20 30 HIEDMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000542942725 939882957 /nfs/dbraw/zinc/88/29/57/939882957.db2.gz WEGCLZOFAGMJDE-QGZVFWFLSA-N 2 1 416.635 4.269 20 30 HIEDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000554099240 942036157 /nfs/dbraw/zinc/03/61/57/942036157.db2.gz GSIVMJRMUBUMHR-UHFFFAOYSA-N 2 1 402.608 4.023 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@H](C)O1 ZINC000564416078 945569314 /nfs/dbraw/zinc/56/93/14/945569314.db2.gz XFLWSTNJXZWRTP-CALCHBBNSA-N 2 1 417.475 4.476 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1F ZINC000237651251 854068043 /nfs/dbraw/zinc/06/80/43/854068043.db2.gz NRBXZCNQKWVHRN-UHFFFAOYSA-N 2 1 414.488 4.387 20 30 HIEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508987 854997502 /nfs/dbraw/zinc/99/75/02/854997502.db2.gz BHVFOQWQNCHMDL-ROUUACIJSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508987 854997508 /nfs/dbraw/zinc/99/75/08/854997508.db2.gz BHVFOQWQNCHMDL-ROUUACIJSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508987 854997518 /nfs/dbraw/zinc/99/75/18/854997518.db2.gz BHVFOQWQNCHMDL-ROUUACIJSA-N 2 1 402.970 4.127 20 30 HIEDMP [NH2+]=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303911294 855284550 /nfs/dbraw/zinc/28/45/50/855284550.db2.gz ZMHHGAYEGRNCLI-LJQANCHMSA-N 2 1 414.937 4.065 20 30 HIEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1 ZINC000433320198 859636955 /nfs/dbraw/zinc/63/69/55/859636955.db2.gz TXYJNJGLLKNYMG-AUSIDOKSSA-N 2 1 420.586 4.093 20 30 HIEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1 ZINC000433320198 859636970 /nfs/dbraw/zinc/63/69/70/859636970.db2.gz TXYJNJGLLKNYMG-AUSIDOKSSA-N 2 1 420.586 4.093 20 30 HIEDMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000512373881 921113753 /nfs/dbraw/zinc/11/37/53/921113753.db2.gz ASHVSHHWBCZWJU-UHFFFAOYSA-N 2 1 408.546 4.313 20 30 HIEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000512373881 921113761 /nfs/dbraw/zinc/11/37/61/921113761.db2.gz ASHVSHHWBCZWJU-UHFFFAOYSA-N 2 1 408.546 4.313 20 30 HIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480051785 895400458 /nfs/dbraw/zinc/40/04/58/895400458.db2.gz STZGHYHMIDZTDN-FQEVSTJZSA-N 2 1 413.569 4.480 20 30 HIEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922090 897306313 /nfs/dbraw/zinc/30/63/13/897306313.db2.gz MDOXTMOADNBEFH-VWLOTQADSA-N 2 1 407.558 4.073 20 30 HIEDMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000488394743 902804913 /nfs/dbraw/zinc/80/49/13/902804913.db2.gz VYLXDLNFWIEMTP-QGZVFWFLSA-N 2 1 416.635 4.269 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000538717010 938688851 /nfs/dbraw/zinc/68/88/51/938688851.db2.gz WOTVAJJRWNISHK-DOTOQJQBSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000538717010 938688852 /nfs/dbraw/zinc/68/88/52/938688852.db2.gz WOTVAJJRWNISHK-DOTOQJQBSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000538717010 938688854 /nfs/dbraw/zinc/68/88/54/938688854.db2.gz WOTVAJJRWNISHK-DOTOQJQBSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000538717010 938688856 /nfs/dbraw/zinc/68/88/56/938688856.db2.gz WOTVAJJRWNISHK-DOTOQJQBSA-N 2 1 411.384 4.327 20 30 HIEDMP C[C@H]1C[C@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539509079 938870695 /nfs/dbraw/zinc/87/06/95/938870695.db2.gz SRLILKPBRZGVMG-NVQXNPDNSA-N 2 1 416.613 4.413 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000539818817 938942020 /nfs/dbraw/zinc/94/20/20/938942020.db2.gz NVWHFSVGTSTAMM-NVXWUHKLSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000539818817 938942021 /nfs/dbraw/zinc/94/20/21/938942021.db2.gz NVWHFSVGTSTAMM-NVXWUHKLSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000539818817 938942022 /nfs/dbraw/zinc/94/20/22/938942022.db2.gz NVWHFSVGTSTAMM-NVXWUHKLSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000539818817 938942023 /nfs/dbraw/zinc/94/20/23/938942023.db2.gz NVWHFSVGTSTAMM-NVXWUHKLSA-N 2 1 411.384 4.327 20 30 HIEDMP C[C@H]1C[NH+](Cc2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543759035 940176926 /nfs/dbraw/zinc/17/69/26/940176926.db2.gz WMDINOCLTZAFON-SFTDATJTSA-N 2 1 418.585 4.244 20 30 HIEDMP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000543775083 940181804 /nfs/dbraw/zinc/18/18/04/940181804.db2.gz APKZJZRDTWGJAA-GXUWAKPLSA-N 2 1 403.570 4.137 20 30 HIEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549882888 941225762 /nfs/dbraw/zinc/22/57/62/941225762.db2.gz JKDKYLOEAMPKDJ-XMMPIXPASA-N 2 1 406.570 4.270 20 30 HIEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000556252416 942826339 /nfs/dbraw/zinc/82/63/39/942826339.db2.gz CEISPRDKPJEGOH-RVMZIBIISA-N 2 1 416.569 4.086 20 30 HIEDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891606 944077524 /nfs/dbraw/zinc/07/75/24/944077524.db2.gz DGSWRXPTJVXAQG-WMZHIEFXSA-N 2 1 407.533 4.277 20 30 HIEDMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000573708770 948279277 /nfs/dbraw/zinc/27/92/77/948279277.db2.gz YGDASGXNVAZSIC-XUZZJYLKSA-N 2 1 402.586 4.417 20 30 HIEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)cs1 ZINC000237046582 853956505 /nfs/dbraw/zinc/95/65/05/853956505.db2.gz JHHUFDXJDDJBAN-UHFFFAOYSA-N 2 1 411.619 4.057 20 30 HIEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000303694492 855137483 /nfs/dbraw/zinc/13/74/83/855137483.db2.gz CWRAIRANEQOTES-IBGZPJMESA-N 2 1 422.451 4.158 20 30 HIEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303892039 855272813 /nfs/dbraw/zinc/27/28/13/855272813.db2.gz NJAJLXQSCZMCSK-SFHVURJKSA-N 2 1 408.546 4.007 20 30 HIEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CC2)cs1 ZINC000304745486 855357461 /nfs/dbraw/zinc/35/74/61/855357461.db2.gz FDWWNSIYJOQXNV-UHFFFAOYSA-N 2 1 415.607 4.132 20 30 HIEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000430920841 858370805 /nfs/dbraw/zinc/37/08/05/858370805.db2.gz QLPFHWMFOYLIDF-UHFFFAOYSA-N 2 1 421.551 4.185 20 30 HIEDMP Cc1cc(F)cc2c1ncc(C#N)c2N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431822856 858828501 /nfs/dbraw/zinc/82/85/01/858828501.db2.gz LMKCAXAYULVWEM-UHFFFAOYSA-N 2 1 423.580 4.187 20 30 HIEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433025094 859485541 /nfs/dbraw/zinc/48/55/41/859485541.db2.gz HIKQTVPPEZPTPZ-VWLOTQADSA-N 2 1 418.585 4.054 20 30 HIEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478055530 893209586 /nfs/dbraw/zinc/20/95/86/893209586.db2.gz RPJQAXHLHPBCFI-VXKWHMMOSA-N 2 1 410.606 4.298 20 30 HIEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000478056592 893212065 /nfs/dbraw/zinc/21/20/65/893212065.db2.gz HMGSECGYBVMIMQ-QGZVFWFLSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000478204825 893365087 /nfs/dbraw/zinc/36/50/87/893365087.db2.gz ZDNUCDUSTMYYNM-NZQKXSOJSA-N 2 1 413.569 4.349 20 30 HIEDMP CC[N@@H+](Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1)C(C)C ZINC000479210140 894474134 /nfs/dbraw/zinc/47/41/34/894474134.db2.gz CMXVFTWDKIRINR-UHFFFAOYSA-N 2 1 418.585 4.205 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000516686128 923845997 /nfs/dbraw/zinc/84/59/97/923845997.db2.gz QKKYRMCXEQCEIZ-SFHVURJKSA-N 2 1 423.395 4.186 20 30 HIEDMP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525858726 930469576 /nfs/dbraw/zinc/46/95/76/930469576.db2.gz YAEOQRGNUBKNJS-VJGHCQHZSA-N 2 1 404.558 4.143 20 30 HIEDMP C=CCC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000533528503 931894788 /nfs/dbraw/zinc/89/47/88/931894788.db2.gz QYRLODKGADWIBV-HXUWFJFHSA-N 2 1 419.495 4.044 20 30 HIEDMP C=CCC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000533528502 931894986 /nfs/dbraw/zinc/89/49/86/931894986.db2.gz QYRLODKGADWIBV-FQEVSTJZSA-N 2 1 419.495 4.044 20 30 HIEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538394585 938610006 /nfs/dbraw/zinc/61/00/06/938610006.db2.gz GNLLCFYQWNTKMB-OAQYLSRUSA-N 2 1 402.586 4.338 20 30 HIEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595831 939314587 /nfs/dbraw/zinc/31/45/87/939314587.db2.gz FNXZWYVMIJKYJM-LVXARBLLSA-N 2 1 402.586 4.023 20 30 HIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595831 939314594 /nfs/dbraw/zinc/31/45/94/939314594.db2.gz FNXZWYVMIJKYJM-LVXARBLLSA-N 2 1 402.586 4.023 20 30 HIEDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000555093441 942383626 /nfs/dbraw/zinc/38/36/26/942383626.db2.gz BXFPBRFGSQJESZ-IAGOWNOFSA-N 2 1 409.496 4.288 20 30 HIEDMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891604 944078213 /nfs/dbraw/zinc/07/82/13/944078213.db2.gz DGSWRXPTJVXAQG-AUSIDOKSSA-N 2 1 407.533 4.277 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000062427230 851550957 /nfs/dbraw/zinc/55/09/57/851550957.db2.gz MBIZWMCMGLKLAG-INIZCTEOSA-N 2 1 411.384 4.233 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000062427230 851550965 /nfs/dbraw/zinc/55/09/65/851550965.db2.gz MBIZWMCMGLKLAG-INIZCTEOSA-N 2 1 411.384 4.233 20 30 HIEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@H]1c1cccs1 ZINC000304786245 855358713 /nfs/dbraw/zinc/35/87/13/855358713.db2.gz IKOVTCXQYLOQPF-GUYCJALGSA-N 2 1 412.481 4.456 20 30 HIEDMP C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000463270860 876329719 /nfs/dbraw/zinc/32/97/19/876329719.db2.gz ZSQCTPHCUPRSKV-SANMLTNESA-N 2 1 402.586 4.023 20 30 HIEDMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000463270860 876329738 /nfs/dbraw/zinc/32/97/38/876329738.db2.gz ZSQCTPHCUPRSKV-SANMLTNESA-N 2 1 402.586 4.023 20 30 HIEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479253061 894518741 /nfs/dbraw/zinc/51/87/41/894518741.db2.gz XFJNPCVSJBUOAU-UHFFFAOYSA-N 2 1 418.585 4.207 20 30 HIEDMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491165887 904463407 /nfs/dbraw/zinc/46/34/07/904463407.db2.gz GMOAKLWKWVROCE-UHFFFAOYSA-N 2 1 413.569 4.303 20 30 HIEDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C[C@@H](C)O1 ZINC000492633945 904880427 /nfs/dbraw/zinc/88/04/27/904880427.db2.gz WAOMAJLXXSNCAF-IAGOWNOFSA-N 2 1 420.395 4.032 20 30 HIEDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492633948 904880494 /nfs/dbraw/zinc/88/04/94/904880494.db2.gz WAOMAJLXXSNCAF-IRXDYDNUSA-N 2 1 420.395 4.032 20 30 HIEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487171 915093640 /nfs/dbraw/zinc/09/36/40/915093640.db2.gz NSPWCCLZYXOKBH-QZTJIDSGSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487171 915093663 /nfs/dbraw/zinc/09/36/63/915093663.db2.gz NSPWCCLZYXOKBH-QZTJIDSGSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487171 915093682 /nfs/dbraw/zinc/09/36/82/915093682.db2.gz NSPWCCLZYXOKBH-QZTJIDSGSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487171 915093699 /nfs/dbraw/zinc/09/36/99/915093699.db2.gz NSPWCCLZYXOKBH-QZTJIDSGSA-N 2 1 414.619 4.023 20 30 HIEDMP N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CC2)nc1 ZINC000507465638 916232729 /nfs/dbraw/zinc/23/27/29/916232729.db2.gz BKLDRZOILPSRQR-QUFPEAKPSA-N 2 1 416.569 4.143 20 30 HIEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)c2)CCO1 ZINC000507622553 916381131 /nfs/dbraw/zinc/38/11/31/916381131.db2.gz UDZSWRFFNWRZHD-PMWKKSSLSA-N 2 1 403.570 4.401 20 30 HIEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)c2)CCO1 ZINC000507622553 916381142 /nfs/dbraw/zinc/38/11/42/916381142.db2.gz UDZSWRFFNWRZHD-PMWKKSSLSA-N 2 1 403.570 4.401 20 30 HIEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000512177123 920915072 /nfs/dbraw/zinc/91/50/72/920915072.db2.gz FIXFHENDKLNHQC-JOCHJYFZSA-N 2 1 405.590 4.408 20 30 HIEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000512177123 920915088 /nfs/dbraw/zinc/91/50/88/920915088.db2.gz FIXFHENDKLNHQC-JOCHJYFZSA-N 2 1 405.590 4.408 20 30 HIEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000538946612 938744546 /nfs/dbraw/zinc/74/45/46/938744546.db2.gz CXOIMULPPDGNKM-UHFFFAOYSA-N 2 1 400.473 4.293 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543768271 940180413 /nfs/dbraw/zinc/18/04/13/940180413.db2.gz JDYNCWNRDNCLRN-BSMGPNNRSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000543768271 940180414 /nfs/dbraw/zinc/18/04/14/940180414.db2.gz JDYNCWNRDNCLRN-BSMGPNNRSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263488 941438775 /nfs/dbraw/zinc/43/87/75/941438775.db2.gz RMMKJOHSXXCUKW-UGKGYDQZSA-N 2 1 407.533 4.277 20 30 HIEDMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263488 941438777 /nfs/dbraw/zinc/43/87/77/941438777.db2.gz RMMKJOHSXXCUKW-UGKGYDQZSA-N 2 1 407.533 4.277 20 30 HIEDMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CC2)cs1 ZINC000566753633 946087336 /nfs/dbraw/zinc/08/73/36/946087336.db2.gz RFXWPVWHYPUEBF-UHFFFAOYSA-N 2 1 423.630 4.048 20 30 HIEDMP C=CCOc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000574962092 948566239 /nfs/dbraw/zinc/56/62/39/948566239.db2.gz PFMYWVHSXPEASH-UHFFFAOYSA-N 2 1 409.574 4.368 20 30 HIEDMP C=CCOc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000574962092 948566248 /nfs/dbraw/zinc/56/62/48/948566248.db2.gz PFMYWVHSXPEASH-UHFFFAOYSA-N 2 1 409.574 4.368 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000303877379 855265590 /nfs/dbraw/zinc/26/55/90/855265590.db2.gz INBHEOVYBFRHDY-UHFFFAOYSA-N 2 1 407.371 4.145 20 30 HIEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304753516 855357521 /nfs/dbraw/zinc/35/75/21/855357521.db2.gz LDOGDKZMPGKVDZ-PZJWPPBQSA-N 2 1 418.507 4.235 20 30 HIEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557393 864883543 /nfs/dbraw/zinc/88/35/43/864883543.db2.gz MBWCFHCKRDLWNA-FGZHOGPDSA-N 2 1 418.585 4.486 20 30 HIEDMP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@@H]1CCCC[NH+]1C ZINC000441357419 866427237 /nfs/dbraw/zinc/42/72/37/866427237.db2.gz NQEUXSGWZBIXHZ-KRWDZBQOSA-N 2 1 402.608 4.023 20 30 HIEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@@H]1CCCC[N@@H+]1C ZINC000441357419 866427247 /nfs/dbraw/zinc/42/72/47/866427247.db2.gz NQEUXSGWZBIXHZ-KRWDZBQOSA-N 2 1 402.608 4.023 20 30 HIEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@@H]1CCCC[N@H+]1C ZINC000441357419 866427254 /nfs/dbraw/zinc/42/72/54/866427254.db2.gz NQEUXSGWZBIXHZ-KRWDZBQOSA-N 2 1 402.608 4.023 20 30 HIEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443609483 868175396 /nfs/dbraw/zinc/17/53/96/868175396.db2.gz ZOTQNNVYIIGCNT-KRWDZBQOSA-N 2 1 414.619 4.023 20 30 HIEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1C(F)(F)F ZINC000463654147 876773837 /nfs/dbraw/zinc/77/38/37/876773837.db2.gz UXRYYJBUXTWRIR-UHFFFAOYSA-N 2 1 408.512 4.210 20 30 HIEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240630 885816442 /nfs/dbraw/zinc/81/64/42/885816442.db2.gz ACYQTVOFIHITMA-XXBNENTESA-N 2 1 407.558 4.308 20 30 HIEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240630 885816444 /nfs/dbraw/zinc/81/64/44/885816444.db2.gz ACYQTVOFIHITMA-XXBNENTESA-N 2 1 407.558 4.308 20 30 HIEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1 ZINC000471240630 885816446 /nfs/dbraw/zinc/81/64/46/885816446.db2.gz ACYQTVOFIHITMA-XXBNENTESA-N 2 1 407.558 4.308 20 30 HIEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478055529 893209772 /nfs/dbraw/zinc/20/97/72/893209772.db2.gz RPJQAXHLHPBCFI-FGZHOGPDSA-N 2 1 410.606 4.298 20 30 HIEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000478204823 893365684 /nfs/dbraw/zinc/36/56/84/893365684.db2.gz ZDNUCDUSTMYYNM-NFBKMPQASA-N 2 1 413.569 4.349 20 30 HIEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1 ZINC000499161928 908516745 /nfs/dbraw/zinc/51/67/45/908516745.db2.gz OTQGDCICQNIBOL-NEWJYFPISA-N 2 1 418.560 4.451 20 30 HIEDMP N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)nc1 ZINC000507465635 916232064 /nfs/dbraw/zinc/23/20/64/916232064.db2.gz BKLDRZOILPSRQR-PKFSMUTISA-N 2 1 416.569 4.143 20 30 HIEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000512177124 920915016 /nfs/dbraw/zinc/91/50/16/920915016.db2.gz FIXFHENDKLNHQC-QFIPXVFZSA-N 2 1 405.590 4.408 20 30 HIEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000512177124 920915027 /nfs/dbraw/zinc/91/50/27/920915027.db2.gz FIXFHENDKLNHQC-QFIPXVFZSA-N 2 1 405.590 4.408 20 30 HIEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662911 930791291 /nfs/dbraw/zinc/79/12/91/930791291.db2.gz OADMEKQMFIWTMU-IRXDYDNUSA-N 2 1 402.608 4.022 20 30 HIEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662911 930791295 /nfs/dbraw/zinc/79/12/95/930791295.db2.gz OADMEKQMFIWTMU-IRXDYDNUSA-N 2 1 402.608 4.022 20 30 HIEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662911 930791299 /nfs/dbraw/zinc/79/12/99/930791299.db2.gz OADMEKQMFIWTMU-IRXDYDNUSA-N 2 1 402.608 4.022 20 30 HIEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000562905710 945147026 /nfs/dbraw/zinc/14/70/26/945147026.db2.gz VDXWMJVCSBQPEV-UHFFFAOYSA-N 2 1 416.491 4.004 20 30 HIEDMP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000542529689 939837859 /nfs/dbraw/zinc/83/78/59/939837859.db2.gz PCDCPUCGJSYAHB-RBUKOAKNSA-N 2 1 416.997 4.138 20 30 HIEDMP Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1Cl ZINC000542529689 939837861 /nfs/dbraw/zinc/83/78/61/939837861.db2.gz PCDCPUCGJSYAHB-RBUKOAKNSA-N 2 1 416.997 4.138 20 30 HIEDMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263485 941438722 /nfs/dbraw/zinc/43/87/22/941438722.db2.gz RMMKJOHSXXCUKW-DENIHFKCSA-N 2 1 407.533 4.277 20 30 HIEDMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263485 941438723 /nfs/dbraw/zinc/43/87/23/941438723.db2.gz RMMKJOHSXXCUKW-DENIHFKCSA-N 2 1 407.533 4.277 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]C2CC[NH+](CC(=C)C)CC2)cc1OC ZINC000237112868 853966487 /nfs/dbraw/zinc/96/64/87/853966487.db2.gz CEAUCNPCIBAGKR-UHFFFAOYSA-N 2 1 409.368 4.153 20 30 HIEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304496532 855356525 /nfs/dbraw/zinc/35/65/25/855356525.db2.gz PWCCILCDZDYMGC-UHFFFAOYSA-N 2 1 408.468 4.030 20 30 HIEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304756554 855357310 /nfs/dbraw/zinc/35/73/10/855357310.db2.gz NTXZJAZVPJTGML-LPHOPBHVSA-N 2 1 424.536 4.297 20 30 HIEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304753518 855357484 /nfs/dbraw/zinc/35/74/84/855357484.db2.gz LDOGDKZMPGKVDZ-TZIWHRDSSA-N 2 1 418.507 4.235 20 30 HIEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccs1 ZINC000304786246 855358653 /nfs/dbraw/zinc/35/86/53/855358653.db2.gz IKOVTCXQYLOQPF-SUMWQHHRSA-N 2 1 412.481 4.456 20 30 HIEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000429235747 857568347 /nfs/dbraw/zinc/56/83/47/857568347.db2.gz RNDVEGZBKJIQHJ-UHFFFAOYSA-N 2 1 424.593 4.201 20 30 HIEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000429235747 857568349 /nfs/dbraw/zinc/56/83/49/857568349.db2.gz RNDVEGZBKJIQHJ-UHFFFAOYSA-N 2 1 424.593 4.201 20 30 HIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1 ZINC000433320200 859637900 /nfs/dbraw/zinc/63/79/00/859637900.db2.gz TXYJNJGLLKNYMG-WMZHIEFXSA-N 2 1 420.586 4.093 20 30 HIEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1 ZINC000433320200 859637913 /nfs/dbraw/zinc/63/79/13/859637913.db2.gz TXYJNJGLLKNYMG-WMZHIEFXSA-N 2 1 420.586 4.093 20 30 HIEDMP N#CCCn1cc(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c2ccccc21 ZINC000443603852 868162168 /nfs/dbraw/zinc/16/21/68/868162168.db2.gz MVWCFRBHMICSOI-UHFFFAOYSA-N 2 1 406.574 4.326 20 30 HIEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481922319 897306424 /nfs/dbraw/zinc/30/64/24/897306424.db2.gz YAHOCWILAYFJJP-AREMUKBSSA-N 2 1 402.586 4.253 20 30 HIEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487173 915092262 /nfs/dbraw/zinc/09/22/62/915092262.db2.gz NSPWCCLZYXOKBH-ROUUACIJSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487173 915092279 /nfs/dbraw/zinc/09/22/79/915092279.db2.gz NSPWCCLZYXOKBH-ROUUACIJSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487173 915092303 /nfs/dbraw/zinc/09/23/03/915092303.db2.gz NSPWCCLZYXOKBH-ROUUACIJSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487173 915092323 /nfs/dbraw/zinc/09/23/23/915092323.db2.gz NSPWCCLZYXOKBH-ROUUACIJSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525858725 930469689 /nfs/dbraw/zinc/46/96/89/930469689.db2.gz YAEOQRGNUBKNJS-OVAXGASASA-N 2 1 404.558 4.143 20 30 HIEDMP Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C#N ZINC000532949763 931709103 /nfs/dbraw/zinc/70/91/03/931709103.db2.gz GMWYRTPXMNMLEE-UHFFFAOYSA-N 2 1 413.610 4.082 20 30 HIEDMP Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C#N ZINC000532949763 931709106 /nfs/dbraw/zinc/70/91/06/931709106.db2.gz GMWYRTPXMNMLEE-UHFFFAOYSA-N 2 1 413.610 4.082 20 30 HIEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628132 938338863 /nfs/dbraw/zinc/33/88/63/938338863.db2.gz LKHRQRNCOXMIFV-QHCPKHFHSA-N 2 1 413.569 4.418 20 30 HIEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628132 938338867 /nfs/dbraw/zinc/33/88/67/938338867.db2.gz LKHRQRNCOXMIFV-QHCPKHFHSA-N 2 1 413.569 4.418 20 30 HIEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628132 938338871 /nfs/dbraw/zinc/33/88/71/938338871.db2.gz LKHRQRNCOXMIFV-QHCPKHFHSA-N 2 1 413.569 4.418 20 30 HIEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628132 938338875 /nfs/dbraw/zinc/33/88/75/938338875.db2.gz LKHRQRNCOXMIFV-QHCPKHFHSA-N 2 1 413.569 4.418 20 30 HIEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538394584 938610171 /nfs/dbraw/zinc/61/01/71/938610171.db2.gz GNLLCFYQWNTKMB-NRFANRHFSA-N 2 1 402.586 4.338 20 30 HIEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541024835 939433492 /nfs/dbraw/zinc/43/34/92/939433492.db2.gz SFCSCGOQFKZTOW-MSOLQXFVSA-N 2 1 408.571 4.496 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543770429 940181156 /nfs/dbraw/zinc/18/11/56/940181156.db2.gz IYNAJHPYWYKARO-RLWLMLJZSA-N 2 1 402.586 4.165 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000543770429 940181159 /nfs/dbraw/zinc/18/11/59/940181159.db2.gz IYNAJHPYWYKARO-RLWLMLJZSA-N 2 1 402.586 4.165 20 30 HIEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC)CC1 ZINC000553865832 941987502 /nfs/dbraw/zinc/98/75/02/941987502.db2.gz ASHPFIVFGKMTSB-OAQYLSRUSA-N 2 1 407.002 4.063 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)c2)CCO1 ZINC000569973011 947058218 /nfs/dbraw/zinc/05/82/18/947058218.db2.gz SSNRNCVSPMYUAL-MRXNPFEDSA-N 2 1 403.448 4.088 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)c2)CCO1 ZINC000569973011 947058230 /nfs/dbraw/zinc/05/82/30/947058230.db2.gz SSNRNCVSPMYUAL-MRXNPFEDSA-N 2 1 403.448 4.088 20 30 HIEDMP C[C@H]1C[C@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000573708769 948279423 /nfs/dbraw/zinc/27/94/23/948279423.db2.gz YGDASGXNVAZSIC-URXFXBBRSA-N 2 1 402.586 4.417 20 30 HIEDMP C=C(C)COc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccc1OC ZINC000237374702 854017375 /nfs/dbraw/zinc/01/73/75/854017375.db2.gz XMLOTVZFXNIGFC-UHFFFAOYSA-N 2 1 413.562 4.257 20 30 HIEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccc1OC(F)(F)F ZINC000305219788 855360376 /nfs/dbraw/zinc/36/03/76/855360376.db2.gz JDQZINMEXPKPLO-AWEZNQCLSA-N 2 1 412.481 4.286 20 30 HIEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305666556 855361064 /nfs/dbraw/zinc/36/10/64/855361064.db2.gz IGMXVADHRSSCON-LAUBAEHRSA-N 2 1 400.929 4.387 20 30 HIEDMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433025093 859485737 /nfs/dbraw/zinc/48/57/37/859485737.db2.gz HIKQTVPPEZPTPZ-RUZDIDTESA-N 2 1 418.585 4.054 20 30 HIEDMP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000433329267 859647010 /nfs/dbraw/zinc/64/70/10/859647010.db2.gz GDLPKMXIEANPIN-RDPSFJRHSA-N 2 1 414.557 4.001 20 30 HIEDMP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000433329267 859647015 /nfs/dbraw/zinc/64/70/15/859647015.db2.gz GDLPKMXIEANPIN-RDPSFJRHSA-N 2 1 414.557 4.001 20 30 HIEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557392 864883161 /nfs/dbraw/zinc/88/31/61/864883161.db2.gz MBWCFHCKRDLWNA-FCHUYYIVSA-N 2 1 418.585 4.486 20 30 HIEDMP N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)sc2c1CCCCC2 ZINC000441447239 866522116 /nfs/dbraw/zinc/52/21/16/866522116.db2.gz KOWMJWMYEVSWQC-SFHVURJKSA-N 2 1 414.619 4.025 20 30 HIEDMP N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)sc2c1CCCCC2 ZINC000441447239 866522121 /nfs/dbraw/zinc/52/21/21/866522121.db2.gz KOWMJWMYEVSWQC-SFHVURJKSA-N 2 1 414.619 4.025 20 30 HIEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444667208 868945457 /nfs/dbraw/zinc/94/54/57/868945457.db2.gz SIHSNEZJBQZKBP-UBFVSLLYSA-N 2 1 403.570 4.070 20 30 HIEDMP N#Cc1cccnc1OC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447594149 871500064 /nfs/dbraw/zinc/50/00/64/871500064.db2.gz XERNBDHSTUDUQY-PFZMCEHDSA-N 2 1 416.569 4.428 20 30 HIEDMP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447594148 871501430 /nfs/dbraw/zinc/50/14/30/871501430.db2.gz XERNBDHSTUDUQY-KMVVVDKLSA-N 2 1 416.569 4.428 20 30 HIEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)C1 ZINC000479983812 895337334 /nfs/dbraw/zinc/33/73/34/895337334.db2.gz PFBVEFMWCBJKEP-HXUWFJFHSA-N 2 1 413.569 4.480 20 30 HIEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1Br ZINC000481241689 896592200 /nfs/dbraw/zinc/59/22/00/896592200.db2.gz VJBPYWREKRKYDS-UHFFFAOYSA-N 2 1 413.363 4.454 20 30 HIEDMP Cc1ccc2ncc(C#N)c(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000488126698 902624640 /nfs/dbraw/zinc/62/46/40/902624640.db2.gz NJTWIULMNYRILV-UHFFFAOYSA-N 2 1 405.590 4.047 20 30 HIEDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000492661423 904884253 /nfs/dbraw/zinc/88/42/53/904884253.db2.gz RAZRKFZYEYDIJB-KRWDZBQOSA-N 2 1 422.598 4.211 20 30 HIEDMP Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C#N ZINC000501784893 910839449 /nfs/dbraw/zinc/83/94/49/910839449.db2.gz JXEIJGHYYHBGHB-UHFFFAOYSA-N 2 1 413.610 4.084 20 30 HIEDMP COc1cc(C[N@@H+](C)CCCn2ccnc2C)ccc1OCc1cccc(C#N)c1 ZINC000503053278 912016331 /nfs/dbraw/zinc/01/63/31/912016331.db2.gz OERHEQWLKXNKDX-UHFFFAOYSA-N 2 1 404.514 4.173 20 30 HIEDMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OCc1cccc(C#N)c1 ZINC000503053278 912016349 /nfs/dbraw/zinc/01/63/49/912016349.db2.gz OERHEQWLKXNKDX-UHFFFAOYSA-N 2 1 404.514 4.173 20 30 HIEDMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OCc1cccc(C#N)c1 ZINC000503053278 912016367 /nfs/dbraw/zinc/01/63/67/912016367.db2.gz OERHEQWLKXNKDX-UHFFFAOYSA-N 2 1 404.514 4.173 20 30 HIEDMP C=CCOc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1Cl ZINC000518747299 927472335 /nfs/dbraw/zinc/47/23/35/927472335.db2.gz BEMDUJFWENVLNV-LJQANCHMSA-N 2 1 405.995 4.045 20 30 HIEDMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000520898828 928865183 /nfs/dbraw/zinc/86/51/83/928865183.db2.gz BUFOKHKXDXYKAO-HSZRJFAPSA-N 2 1 413.569 4.351 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000527100067 930590056 /nfs/dbraw/zinc/59/00/56/930590056.db2.gz CJFOZTZJPYYCSU-HLFJOQDNSA-N 2 1 401.514 4.488 20 30 HIEDMP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)CCC2 ZINC000533271133 931824830 /nfs/dbraw/zinc/82/48/30/931824830.db2.gz CFYZVCMOPHQQNO-GOSISDBHSA-N 2 1 414.619 4.025 20 30 HIEDMP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)CCC2 ZINC000533271133 931824829 /nfs/dbraw/zinc/82/48/29/931824829.db2.gz CFYZVCMOPHQQNO-GOSISDBHSA-N 2 1 414.619 4.025 20 30 HIEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426323 931864811 /nfs/dbraw/zinc/86/48/11/931864811.db2.gz IABHAIJEPCDNTG-QZTJIDSGSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426323 931864814 /nfs/dbraw/zinc/86/48/14/931864814.db2.gz IABHAIJEPCDNTG-QZTJIDSGSA-N 2 1 414.619 4.023 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000543459544 940069433 /nfs/dbraw/zinc/06/94/33/940069433.db2.gz VYNCXFWGTRKMER-BHIFYINESA-N 2 1 410.606 4.181 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000543459544 940069437 /nfs/dbraw/zinc/06/94/37/940069437.db2.gz VYNCXFWGTRKMER-BHIFYINESA-N 2 1 410.606 4.181 20 30 HIEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483239 941107954 /nfs/dbraw/zinc/10/79/54/941107954.db2.gz JAPGHKCOXZJLGT-AJSBUHFISA-N 2 1 406.549 4.166 20 30 HIEDMP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000437085345 862278028 /nfs/dbraw/zinc/27/80/28/862278028.db2.gz ZUCZLRMJPHGCDM-JEZXRVLCSA-N 2 1 416.569 4.143 20 30 HIEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303904688 855279728 /nfs/dbraw/zinc/27/97/28/855279728.db2.gz YYWCVZIAUUTXHL-AWEZNQCLSA-N 2 1 412.481 4.286 20 30 HIEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304753513 855357734 /nfs/dbraw/zinc/35/77/34/855357734.db2.gz LDOGDKZMPGKVDZ-CTNGQTDRSA-N 2 1 418.507 4.235 20 30 HIEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1 ZINC000433320201 859639589 /nfs/dbraw/zinc/63/95/89/859639589.db2.gz TXYJNJGLLKNYMG-XXBNENTESA-N 2 1 420.586 4.093 20 30 HIEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1 ZINC000433320201 859639594 /nfs/dbraw/zinc/63/95/94/859639594.db2.gz TXYJNJGLLKNYMG-XXBNENTESA-N 2 1 420.586 4.093 20 30 HIEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000439557397 864883642 /nfs/dbraw/zinc/88/36/42/864883642.db2.gz MBWCFHCKRDLWNA-YADHBBJMSA-N 2 1 418.585 4.486 20 30 HIEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1 ZINC000470170111 884448382 /nfs/dbraw/zinc/44/83/82/884448382.db2.gz OTQGDCICQNIBOL-XALAGWIPSA-N 2 1 418.560 4.451 20 30 HIEDMP Cc1oc(NC(=O)[C@H](C)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478044607 893184018 /nfs/dbraw/zinc/18/40/18/893184018.db2.gz GXRLQUZFZUDDGU-AEFFLSMTSA-N 2 1 400.567 4.072 20 30 HIEDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C[C@@H](C)O1 ZINC000481032910 896360259 /nfs/dbraw/zinc/36/02/59/896360259.db2.gz JFEOFLPXDNZQPF-IAGOWNOFSA-N 2 1 420.395 4.032 20 30 HIEDMP C[C@@H]1C[N@H+](CCC2CCN(Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492633941 904880302 /nfs/dbraw/zinc/88/03/02/904880302.db2.gz WAOMAJLXXSNCAF-CALCHBBNSA-N 2 1 420.395 4.032 20 30 HIEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492633941 904880312 /nfs/dbraw/zinc/88/03/12/904880312.db2.gz WAOMAJLXXSNCAF-CALCHBBNSA-N 2 1 420.395 4.032 20 30 HIEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492633941 904880319 /nfs/dbraw/zinc/88/03/19/904880319.db2.gz WAOMAJLXXSNCAF-CALCHBBNSA-N 2 1 420.395 4.032 20 30 HIEDMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000500139998 909616372 /nfs/dbraw/zinc/61/63/72/909616372.db2.gz PLGGBHMIXHBLMF-UHFFFAOYSA-N 2 1 408.565 4.116 20 30 HIEDMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCc1cccc(C#N)c1 ZINC000513138130 921578458 /nfs/dbraw/zinc/57/84/58/921578458.db2.gz DHHCRYXACSJYEM-AIZNXBIQSA-N 2 1 405.542 4.203 20 30 HIEDMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCc1cccc(C#N)c1 ZINC000513138130 921578471 /nfs/dbraw/zinc/57/84/71/921578471.db2.gz DHHCRYXACSJYEM-AIZNXBIQSA-N 2 1 405.542 4.203 20 30 HIEDMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCc1cccc(C#N)c1 ZINC000513138130 921578485 /nfs/dbraw/zinc/57/84/85/921578485.db2.gz DHHCRYXACSJYEM-AIZNXBIQSA-N 2 1 405.542 4.203 20 30 HIEDMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1cccc(C#N)c1 ZINC000513138130 921578499 /nfs/dbraw/zinc/57/84/99/921578499.db2.gz DHHCRYXACSJYEM-AIZNXBIQSA-N 2 1 405.542 4.203 20 30 HIEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501785565 910839368 /nfs/dbraw/zinc/83/93/68/910839368.db2.gz MEIILGMHRVKSSE-KRWDZBQOSA-N 2 1 416.635 4.269 20 30 HIEDMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507719015 916513362 /nfs/dbraw/zinc/51/33/62/916513362.db2.gz QXKSUPFWBRNVIU-NRFANRHFSA-N 2 1 418.585 4.030 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000513639139 921963181 /nfs/dbraw/zinc/96/31/81/921963181.db2.gz YGBSKFIMCSQUII-INIZCTEOSA-N 2 1 411.384 4.234 20 30 HIEDMP C=CCOc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1Cl ZINC000518747298 927472685 /nfs/dbraw/zinc/47/26/85/927472685.db2.gz BEMDUJFWENVLNV-IBGZPJMESA-N 2 1 405.995 4.045 20 30 HIEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426324 931864708 /nfs/dbraw/zinc/86/47/08/931864708.db2.gz IABHAIJEPCDNTG-ROUUACIJSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426324 931864714 /nfs/dbraw/zinc/86/47/14/931864714.db2.gz IABHAIJEPCDNTG-ROUUACIJSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533297 939838711 /nfs/dbraw/zinc/83/87/11/939838711.db2.gz LSZIEDMBXCCGCU-QYZOEREBSA-N 2 1 414.619 4.262 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533297 939838712 /nfs/dbraw/zinc/83/87/12/939838712.db2.gz LSZIEDMBXCCGCU-QYZOEREBSA-N 2 1 414.619 4.262 20 30 HIEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543768273 940180016 /nfs/dbraw/zinc/18/00/16/940180016.db2.gz JDYNCWNRDNCLRN-IDTFWCKXSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000543768273 940180019 /nfs/dbraw/zinc/18/00/19/940180019.db2.gz JDYNCWNRDNCLRN-IDTFWCKXSA-N 2 1 404.558 4.286 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000559864426 944070020 /nfs/dbraw/zinc/07/00/20/944070020.db2.gz MBIZWMCMGLKLAG-MRXNPFEDSA-N 2 1 411.384 4.233 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000559864426 944070026 /nfs/dbraw/zinc/07/00/26/944070026.db2.gz MBIZWMCMGLKLAG-MRXNPFEDSA-N 2 1 411.384 4.233 20 30 HIEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)c2)CCO1 ZINC000569973010 947057586 /nfs/dbraw/zinc/05/75/86/947057586.db2.gz SSNRNCVSPMYUAL-INIZCTEOSA-N 2 1 403.448 4.088 20 30 HIEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)c2)CCO1 ZINC000569973010 947057597 /nfs/dbraw/zinc/05/75/97/947057597.db2.gz SSNRNCVSPMYUAL-INIZCTEOSA-N 2 1 403.448 4.088 20 30 HIEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)c1cccc(OC)c1 ZINC000303779282 855193915 /nfs/dbraw/zinc/19/39/15/855193915.db2.gz KIFDTEWTCPIBTE-LJQANCHMSA-N 2 1 404.942 4.167 20 30 HIEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000303887747 855270517 /nfs/dbraw/zinc/27/05/17/855270517.db2.gz ONIPCEMLXMQFAP-UHFFFAOYSA-N 2 1 411.481 4.044 20 30 HIEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccs1 ZINC000304786243 855359116 /nfs/dbraw/zinc/35/91/16/855359116.db2.gz IKOVTCXQYLOQPF-CXAGYDPISA-N 2 1 412.481 4.456 20 30 HIEDMP C=CCC[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000427173276 856690503 /nfs/dbraw/zinc/69/05/03/856690503.db2.gz XKDVENKPTPPSPY-VWLOTQADSA-N 2 1 411.634 4.391 20 30 HIEDMP N#Cc1ccc(-c2nnc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)o2)cc1 ZINC000433128839 859532133 /nfs/dbraw/zinc/53/21/33/859532133.db2.gz XXANVCODRWQMFG-UHFFFAOYSA-N 2 1 413.525 4.096 20 30 HIEDMP N#CCCn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(-c2ccccc2)n1 ZINC000435061226 860621961 /nfs/dbraw/zinc/62/19/61/860621961.db2.gz XRFDUIBTEZVKCF-UHFFFAOYSA-N 2 1 414.557 4.376 20 30 HIEDMP C[C@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000478204828 893367760 /nfs/dbraw/zinc/36/77/60/893367760.db2.gz ZDNUCDUSTMYYNM-REWPJTCUSA-N 2 1 413.569 4.349 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874697 898488597 /nfs/dbraw/zinc/48/85/97/898488597.db2.gz JLJNWCILVFMQOA-CKUXNOBLSA-N 2 1 406.549 4.166 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874697 898488602 /nfs/dbraw/zinc/48/86/02/898488602.db2.gz JLJNWCILVFMQOA-CKUXNOBLSA-N 2 1 406.549 4.166 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513668519 921992231 /nfs/dbraw/zinc/99/22/31/921992231.db2.gz ZTODBMSUAPOBCG-ACWUQQCTSA-N 2 1 402.586 4.273 20 30 HIEDMP C=CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1Cl ZINC000518764651 927483153 /nfs/dbraw/zinc/48/31/53/927483153.db2.gz XUTAOWGFJHIHJR-UHFFFAOYSA-N 2 1 413.993 4.332 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000538266820 938578907 /nfs/dbraw/zinc/57/89/07/938578907.db2.gz MKOTXHDQTDWURB-HXUWFJFHSA-N 2 1 415.541 4.395 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026933 939434450 /nfs/dbraw/zinc/43/44/50/939434450.db2.gz JJEPHLQQBRGOHS-MSOLQXFVSA-N 2 1 419.504 4.306 20 30 HIEDMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000541910181 939651800 /nfs/dbraw/zinc/65/18/00/939651800.db2.gz CIZDRDPGZKWZDB-ZJSXRUAMSA-N 2 1 408.615 4.257 20 30 HIEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000541910181 939651803 /nfs/dbraw/zinc/65/18/03/939651803.db2.gz CIZDRDPGZKWZDB-ZJSXRUAMSA-N 2 1 408.615 4.257 20 30 HIEDMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000542942717 939882968 /nfs/dbraw/zinc/88/29/68/939882968.db2.gz WEGCLZOFAGMJDE-KRWDZBQOSA-N 2 1 416.635 4.269 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543759034 940177117 /nfs/dbraw/zinc/17/71/17/940177117.db2.gz WMDINOCLTZAFON-OYRHEFFESA-N 2 1 418.585 4.244 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543759034 940177120 /nfs/dbraw/zinc/17/71/20/940177120.db2.gz WMDINOCLTZAFON-OYRHEFFESA-N 2 1 418.585 4.244 20 30 HIEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483241 941107821 /nfs/dbraw/zinc/10/78/21/941107821.db2.gz JAPGHKCOXZJLGT-VJBMBRPKSA-N 2 1 406.549 4.166 20 30 HIEDMP C=CCOc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549882887 941226028 /nfs/dbraw/zinc/22/60/28/941226028.db2.gz JKDKYLOEAMPKDJ-DEOSSOPVSA-N 2 1 406.570 4.270 20 30 HIEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560918170 944369311 /nfs/dbraw/zinc/36/93/11/944369311.db2.gz SHUUYKUYOUXWJS-XMMPIXPASA-N 2 1 412.622 4.113 20 30 HIEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000237610205 854061640 /nfs/dbraw/zinc/06/16/40/854061640.db2.gz OLXZBTXJRGHIJY-OYRHEFFESA-N 2 1 407.558 4.116 20 30 HIEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508990 854997193 /nfs/dbraw/zinc/99/71/93/854997193.db2.gz BHVFOQWQNCHMDL-ZWKOTPCHSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508990 854997199 /nfs/dbraw/zinc/99/71/99/854997199.db2.gz BHVFOQWQNCHMDL-ZWKOTPCHSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508990 854997203 /nfs/dbraw/zinc/99/72/03/854997203.db2.gz BHVFOQWQNCHMDL-ZWKOTPCHSA-N 2 1 402.970 4.127 20 30 HIEDMP COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)c1 ZINC000303773128 855188784 /nfs/dbraw/zinc/18/87/84/855188784.db2.gz FBEWSSQLPBQDNO-IBGZPJMESA-N 2 1 422.451 4.158 20 30 HIEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303771593 855188926 /nfs/dbraw/zinc/18/89/26/855188926.db2.gz CSRKWKWUWZRIAJ-SFHVURJKSA-N 2 1 408.546 4.149 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000303892659 855273313 /nfs/dbraw/zinc/27/33/13/855273313.db2.gz NVLUBLDPYAVHRR-LBPRGKRZSA-N 2 1 403.317 4.048 20 30 HIEDMP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000303898330 855276513 /nfs/dbraw/zinc/27/65/13/855276513.db2.gz VMGGVXNQCSETQO-UHFFFAOYSA-N 2 1 410.562 4.395 20 30 HIEDMP N#Cc1cccc(-c2nnc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)o2)c1 ZINC000433083937 859515501 /nfs/dbraw/zinc/51/55/01/859515501.db2.gz RIVMUQVZYABNQX-UHFFFAOYSA-N 2 1 413.525 4.096 20 30 HIEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433164421 859549049 /nfs/dbraw/zinc/54/90/49/859549049.db2.gz RJYXWBVFMGUQHL-IBGZPJMESA-N 2 1 420.557 4.083 20 30 HIEDMP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433164421 859549056 /nfs/dbraw/zinc/54/90/56/859549056.db2.gz RJYXWBVFMGUQHL-IBGZPJMESA-N 2 1 420.557 4.083 20 30 HIEDMP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433164422 859549262 /nfs/dbraw/zinc/54/92/62/859549262.db2.gz RJYXWBVFMGUQHL-LJQANCHMSA-N 2 1 420.557 4.083 20 30 HIEDMP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433164422 859549266 /nfs/dbraw/zinc/54/92/66/859549266.db2.gz RJYXWBVFMGUQHL-LJQANCHMSA-N 2 1 420.557 4.083 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000433329266 859646655 /nfs/dbraw/zinc/64/66/55/859646655.db2.gz GDLPKMXIEANPIN-HYBUGGRVSA-N 2 1 414.557 4.001 20 30 HIEDMP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000433329266 859646668 /nfs/dbraw/zinc/64/66/68/859646668.db2.gz GDLPKMXIEANPIN-HYBUGGRVSA-N 2 1 414.557 4.001 20 30 HIEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240628 885816988 /nfs/dbraw/zinc/81/69/88/885816988.db2.gz ACYQTVOFIHITMA-CVDCTZTESA-N 2 1 407.558 4.308 20 30 HIEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240628 885816990 /nfs/dbraw/zinc/81/69/90/885816990.db2.gz ACYQTVOFIHITMA-CVDCTZTESA-N 2 1 407.558 4.308 20 30 HIEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1 ZINC000471240628 885817002 /nfs/dbraw/zinc/81/70/02/885817002.db2.gz ACYQTVOFIHITMA-CVDCTZTESA-N 2 1 407.558 4.308 20 30 HIEDMP C=CCc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000475548151 890472420 /nfs/dbraw/zinc/47/24/20/890472420.db2.gz AXUSTODYSZAHAE-OAQYLSRUSA-N 2 1 400.611 4.418 20 30 HIEDMP C=CCc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000475548150 890473198 /nfs/dbraw/zinc/47/31/98/890473198.db2.gz AXUSTODYSZAHAE-NRFANRHFSA-N 2 1 400.611 4.418 20 30 HIEDMP Cc1oc(NC(=O)[C@@H](C)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478044611 893185647 /nfs/dbraw/zinc/18/56/47/893185647.db2.gz GXRLQUZFZUDDGU-SJLPKXTDSA-N 2 1 400.567 4.072 20 30 HIEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481919450 897304032 /nfs/dbraw/zinc/30/40/32/897304032.db2.gz RYBMEEZEIMTXHB-AREMUKBSSA-N 2 1 402.586 4.253 20 30 HIEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481922321 897306499 /nfs/dbraw/zinc/30/64/99/897306499.db2.gz YAHOCWILAYFJJP-SANMLTNESA-N 2 1 402.586 4.253 20 30 HIEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000488313467 902760891 /nfs/dbraw/zinc/76/08/91/902760891.db2.gz UWUVADPTCSKDSL-UHFFFAOYSA-N 2 1 413.610 4.084 20 30 HIEDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000489681463 903541393 /nfs/dbraw/zinc/54/13/93/903541393.db2.gz URYURZQJVWNJEG-UHFFFAOYSA-N 2 1 422.598 4.085 20 30 HIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000489681463 903541403 /nfs/dbraw/zinc/54/14/03/903541403.db2.gz URYURZQJVWNJEG-UHFFFAOYSA-N 2 1 422.598 4.085 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)c2)CCO1 ZINC000507622557 916381521 /nfs/dbraw/zinc/38/15/21/916381521.db2.gz UDZSWRFFNWRZHD-ZUOMXFFYSA-N 2 1 403.570 4.401 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)c2)CCO1 ZINC000507622557 916381544 /nfs/dbraw/zinc/38/15/44/916381544.db2.gz UDZSWRFFNWRZHD-ZUOMXFFYSA-N 2 1 403.570 4.401 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCC ZINC000513746384 922067869 /nfs/dbraw/zinc/06/78/69/922067869.db2.gz VDNWQZAFQDCWKW-UHFFFAOYSA-N 2 1 411.384 4.186 20 30 HIEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N ZINC000531391219 931041932 /nfs/dbraw/zinc/04/19/32/931041932.db2.gz ZQYSUFSIOOSOAA-NZQKXSOJSA-N 2 1 407.558 4.378 20 30 HIEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000532951113 931709024 /nfs/dbraw/zinc/70/90/24/931709024.db2.gz SYKAHFSDHPCQBB-SFHVURJKSA-N 2 1 402.608 4.072 20 30 HIEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000532951113 931709030 /nfs/dbraw/zinc/70/90/30/931709030.db2.gz SYKAHFSDHPCQBB-SFHVURJKSA-N 2 1 402.608 4.072 20 30 HIEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426325 931865065 /nfs/dbraw/zinc/86/50/65/931865065.db2.gz IABHAIJEPCDNTG-ZWKOTPCHSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426325 931865067 /nfs/dbraw/zinc/86/50/67/931865067.db2.gz IABHAIJEPCDNTG-ZWKOTPCHSA-N 2 1 414.619 4.023 20 30 HIEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628131 938339100 /nfs/dbraw/zinc/33/91/00/938339100.db2.gz LKHRQRNCOXMIFV-HSZRJFAPSA-N 2 1 413.569 4.418 20 30 HIEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537628131 938339102 /nfs/dbraw/zinc/33/91/02/938339102.db2.gz LKHRQRNCOXMIFV-HSZRJFAPSA-N 2 1 413.569 4.418 20 30 HIEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628131 938339107 /nfs/dbraw/zinc/33/91/07/938339107.db2.gz LKHRQRNCOXMIFV-HSZRJFAPSA-N 2 1 413.569 4.418 20 30 HIEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537628131 938339110 /nfs/dbraw/zinc/33/91/10/938339110.db2.gz LKHRQRNCOXMIFV-HSZRJFAPSA-N 2 1 413.569 4.418 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000538717011 938689040 /nfs/dbraw/zinc/68/90/40/938689040.db2.gz WOTVAJJRWNISHK-NVXWUHKLSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000538717011 938689044 /nfs/dbraw/zinc/68/90/44/938689044.db2.gz WOTVAJJRWNISHK-NVXWUHKLSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000538717011 938689047 /nfs/dbraw/zinc/68/90/47/938689047.db2.gz WOTVAJJRWNISHK-NVXWUHKLSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000538717011 938689049 /nfs/dbraw/zinc/68/90/49/938689049.db2.gz WOTVAJJRWNISHK-NVXWUHKLSA-N 2 1 411.384 4.327 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000543813529 940195298 /nfs/dbraw/zinc/19/52/98/940195298.db2.gz GGUKVUJZQDSTDZ-QGZVFWFLSA-N 2 1 421.932 4.432 20 30 HIEDMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263487 941438857 /nfs/dbraw/zinc/43/88/57/941438857.db2.gz RMMKJOHSXXCUKW-SIKLNZKXSA-N 2 1 407.533 4.277 20 30 HIEDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263487 941438859 /nfs/dbraw/zinc/43/88/59/941438859.db2.gz RMMKJOHSXXCUKW-SIKLNZKXSA-N 2 1 407.533 4.277 20 30 HIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000236692112 853912378 /nfs/dbraw/zinc/91/23/78/853912378.db2.gz QFHXOCAWMIPSPA-UHFFFAOYSA-N 2 1 401.558 4.124 20 30 HIEDMP N#CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000237831310 854105585 /nfs/dbraw/zinc/10/55/85/854105585.db2.gz CVBHDHHVMYEUTL-HSZRJFAPSA-N 2 1 413.569 4.118 20 30 HIEDMP Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302187814 854546165 /nfs/dbraw/zinc/54/61/65/854546165.db2.gz QDIWFMKCUIOVNH-UHFFFAOYSA-N 2 1 401.470 4.035 20 30 HIEDMP C[N@@H+](Cc1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000304482089 855356199 /nfs/dbraw/zinc/35/61/99/855356199.db2.gz IRLWISMZHZGCBP-QHCPKHFHSA-N 2 1 406.574 4.379 20 30 HIEDMP N#Cc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1Cl ZINC000433082718 859514247 /nfs/dbraw/zinc/51/42/47/859514247.db2.gz LUJYNQMSFWNOTR-UHFFFAOYSA-N 2 1 422.960 4.138 20 30 HIEDMP N#Cc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1Cl ZINC000433082718 859514254 /nfs/dbraw/zinc/51/42/54/859514254.db2.gz LUJYNQMSFWNOTR-UHFFFAOYSA-N 2 1 422.960 4.138 20 30 HIEDMP FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434682123 860458171 /nfs/dbraw/zinc/45/81/71/860458171.db2.gz UYHOANKHPHNAPO-UHFFFAOYSA-N 2 1 403.448 4.349 20 30 HIEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463283742 876341026 /nfs/dbraw/zinc/34/10/26/876341026.db2.gz POOZJOCUKOTPRI-IDTFWCKXSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463283742 876341041 /nfs/dbraw/zinc/34/10/41/876341041.db2.gz POOZJOCUKOTPRI-IDTFWCKXSA-N 2 1 404.558 4.286 20 30 HIEDMP N#CCCn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475352142 890276672 /nfs/dbraw/zinc/27/66/72/890276672.db2.gz IRXFSXMEBTXHEB-PSWAGMNNSA-N 2 1 411.553 4.028 20 30 HIEDMP N#CCCn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475352142 890276687 /nfs/dbraw/zinc/27/66/87/890276687.db2.gz IRXFSXMEBTXHEB-PSWAGMNNSA-N 2 1 411.553 4.028 20 30 HIEDMP N#CCCn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475352142 890276706 /nfs/dbraw/zinc/27/67/06/890276706.db2.gz IRXFSXMEBTXHEB-PSWAGMNNSA-N 2 1 411.553 4.028 20 30 HIEDMP N#CCCn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000475352142 890276729 /nfs/dbraw/zinc/27/67/29/890276729.db2.gz IRXFSXMEBTXHEB-PSWAGMNNSA-N 2 1 411.553 4.028 20 30 HIEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478055531 893208991 /nfs/dbraw/zinc/20/89/91/893208991.db2.gz RPJQAXHLHPBCFI-YADHBBJMSA-N 2 1 410.606 4.298 20 30 HIEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195705 893357964 /nfs/dbraw/zinc/35/79/64/893357964.db2.gz KTAGNZXYRCONGK-WMZHIEFXSA-N 2 1 405.571 4.193 20 30 HIEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195705 893357981 /nfs/dbraw/zinc/35/79/81/893357981.db2.gz KTAGNZXYRCONGK-WMZHIEFXSA-N 2 1 405.571 4.193 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874698 898488741 /nfs/dbraw/zinc/48/87/41/898488741.db2.gz JLJNWCILVFMQOA-UCFCWBNQSA-N 2 1 406.549 4.166 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874698 898488747 /nfs/dbraw/zinc/48/87/47/898488747.db2.gz JLJNWCILVFMQOA-UCFCWBNQSA-N 2 1 406.549 4.166 20 30 HIEDMP CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490435986 904009708 /nfs/dbraw/zinc/00/97/08/904009708.db2.gz RAJIBMDDUCDTNH-HSZRJFAPSA-N 2 1 413.569 4.303 20 30 HIEDMP CC[NH+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490435986 904009718 /nfs/dbraw/zinc/00/97/18/904009718.db2.gz RAJIBMDDUCDTNH-HSZRJFAPSA-N 2 1 413.569 4.303 20 30 HIEDMP CC[NH+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490435986 904009725 /nfs/dbraw/zinc/00/97/25/904009725.db2.gz RAJIBMDDUCDTNH-HSZRJFAPSA-N 2 1 413.569 4.303 20 30 HIEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000490592851 904123298 /nfs/dbraw/zinc/12/32/98/904123298.db2.gz SQZBCXFQSFJFNX-FQEVSTJZSA-N 2 1 405.590 4.435 20 30 HIEDMP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510242124 918780561 /nfs/dbraw/zinc/78/05/61/918780561.db2.gz YCBLYVARUARLIA-UHFFFAOYSA-N 2 1 422.598 4.033 20 30 HIEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510242124 918780568 /nfs/dbraw/zinc/78/05/68/918780568.db2.gz YCBLYVARUARLIA-UHFFFAOYSA-N 2 1 422.598 4.033 20 30 HIEDMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245589 921003123 /nfs/dbraw/zinc/00/31/23/921003123.db2.gz QPFIRSUZCAIXMR-AREMUKBSSA-N 2 1 411.553 4.057 20 30 HIEDMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245589 921003140 /nfs/dbraw/zinc/00/31/40/921003140.db2.gz QPFIRSUZCAIXMR-AREMUKBSSA-N 2 1 411.553 4.057 20 30 HIEDMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245589 921003159 /nfs/dbraw/zinc/00/31/59/921003159.db2.gz QPFIRSUZCAIXMR-AREMUKBSSA-N 2 1 411.553 4.057 20 30 HIEDMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245589 921003175 /nfs/dbraw/zinc/00/31/75/921003175.db2.gz QPFIRSUZCAIXMR-AREMUKBSSA-N 2 1 411.553 4.057 20 30 HIEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988381 931727650 /nfs/dbraw/zinc/72/76/50/931727650.db2.gz PHGSPQIOQLCBJZ-WMZHIEFXSA-N 2 1 407.558 4.450 20 30 HIEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988381 931727659 /nfs/dbraw/zinc/72/76/59/931727659.db2.gz PHGSPQIOQLCBJZ-WMZHIEFXSA-N 2 1 407.558 4.450 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988381 931727663 /nfs/dbraw/zinc/72/76/63/931727663.db2.gz PHGSPQIOQLCBJZ-WMZHIEFXSA-N 2 1 407.558 4.450 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988381 931727669 /nfs/dbraw/zinc/72/76/69/931727669.db2.gz PHGSPQIOQLCBJZ-WMZHIEFXSA-N 2 1 407.558 4.450 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266928 938579059 /nfs/dbraw/zinc/57/90/59/938579059.db2.gz RRDUNQQAUPNAGY-LSDHHAIUSA-N 2 1 407.905 4.384 20 30 HIEDMP C[C@@H](c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1)[NH+]1CCOCC1 ZINC000542832505 939861899 /nfs/dbraw/zinc/86/18/99/939861899.db2.gz JIFVBHCLTNFTMH-FQEVSTJZSA-N 2 1 404.558 4.028 20 30 HIEDMP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000437085352 862278319 /nfs/dbraw/zinc/27/83/19/862278319.db2.gz ZUCZLRMJPHGCDM-QUFPEAKPSA-N 2 1 416.569 4.143 20 30 HIEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000303575899 855051520 /nfs/dbraw/zinc/05/15/20/855051520.db2.gz PVXSTXVMBZLTBO-UHFFFAOYSA-N 2 1 416.635 4.271 20 30 HIEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[NH+]2CCCC2)cc1 ZINC000303694493 855138358 /nfs/dbraw/zinc/13/83/58/855138358.db2.gz CWRAIRANEQOTES-LJQANCHMSA-N 2 1 422.451 4.158 20 30 HIEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)[NH+]2CCCCC2)cc1 ZINC000303786519 855197634 /nfs/dbraw/zinc/19/76/34/855197634.db2.gz RMPNFZBAGGZRMJ-HXUWFJFHSA-N 2 1 416.953 4.311 20 30 HIEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3cccc4c3CCCC4)CC2)cs1 ZINC000304759356 855357908 /nfs/dbraw/zinc/35/79/08/855357908.db2.gz RAQOJXVKIUSKQG-UHFFFAOYSA-N 2 1 411.619 4.223 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000433329270 859646787 /nfs/dbraw/zinc/64/67/87/859646787.db2.gz GDLPKMXIEANPIN-YKSBVNFPSA-N 2 1 414.557 4.001 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000433329270 859646788 /nfs/dbraw/zinc/64/67/88/859646788.db2.gz GDLPKMXIEANPIN-YKSBVNFPSA-N 2 1 414.557 4.001 20 30 HIEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479930370 895279049 /nfs/dbraw/zinc/27/90/49/895279049.db2.gz VYXAHSNXLAOGQN-IBGZPJMESA-N 2 1 405.571 4.022 20 30 HIEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479930370 895279070 /nfs/dbraw/zinc/27/90/70/895279070.db2.gz VYXAHSNXLAOGQN-IBGZPJMESA-N 2 1 405.571 4.022 20 30 HIEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480051786 895400607 /nfs/dbraw/zinc/40/06/07/895400607.db2.gz STZGHYHMIDZTDN-HXUWFJFHSA-N 2 1 413.569 4.480 20 30 HIEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000489634248 903510055 /nfs/dbraw/zinc/51/00/55/903510055.db2.gz MSAKYOIHNAAZTC-UHFFFAOYSA-N 2 1 424.976 4.384 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000513056415 921512391 /nfs/dbraw/zinc/51/23/91/921512391.db2.gz GSIIRHPEMHWECQ-OIBXWCBGSA-N 2 1 406.549 4.309 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000513056415 921512403 /nfs/dbraw/zinc/51/24/03/921512403.db2.gz GSIIRHPEMHWECQ-OIBXWCBGSA-N 2 1 406.549 4.309 20 30 HIEDMP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510234094 918774809 /nfs/dbraw/zinc/77/48/09/918774809.db2.gz VLYBIRVBXMZMQK-UHFFFAOYSA-N 2 1 410.949 4.137 20 30 HIEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510234094 918774813 /nfs/dbraw/zinc/77/48/13/918774813.db2.gz VLYBIRVBXMZMQK-UHFFFAOYSA-N 2 1 410.949 4.137 20 30 HIEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N ZINC000531391218 931042107 /nfs/dbraw/zinc/04/21/07/931042107.db2.gz ZQYSUFSIOOSOAA-NFBKMPQASA-N 2 1 407.558 4.378 20 30 HIEDMP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)c(F)c1 ZINC000532225900 931361763 /nfs/dbraw/zinc/36/17/63/931361763.db2.gz NXXKVWPIRYCDMD-QHCPKHFHSA-N 2 1 424.539 4.102 20 30 HIEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988380 931728062 /nfs/dbraw/zinc/72/80/62/931728062.db2.gz PHGSPQIOQLCBJZ-CVDCTZTESA-N 2 1 407.558 4.450 20 30 HIEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988380 931728067 /nfs/dbraw/zinc/72/80/67/931728067.db2.gz PHGSPQIOQLCBJZ-CVDCTZTESA-N 2 1 407.558 4.450 20 30 HIEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988380 931728072 /nfs/dbraw/zinc/72/80/72/931728072.db2.gz PHGSPQIOQLCBJZ-CVDCTZTESA-N 2 1 407.558 4.450 20 30 HIEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988380 931728076 /nfs/dbraw/zinc/72/80/76/931728076.db2.gz PHGSPQIOQLCBJZ-CVDCTZTESA-N 2 1 407.558 4.450 20 30 HIEDMP C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000537615544 938333799 /nfs/dbraw/zinc/33/37/99/938333799.db2.gz KFNXJTSRFATYAS-CRAIPNDOSA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000537615544 938333805 /nfs/dbraw/zinc/33/38/05/938333805.db2.gz KFNXJTSRFATYAS-CRAIPNDOSA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000537615544 938333810 /nfs/dbraw/zinc/33/38/10/938333810.db2.gz KFNXJTSRFATYAS-CRAIPNDOSA-N 2 1 411.384 4.185 20 30 HIEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529813 939838102 /nfs/dbraw/zinc/83/81/02/939838102.db2.gz UEIHPWCDWZZWQL-QRVBRYPASA-N 2 1 414.619 4.119 20 30 HIEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529813 939838103 /nfs/dbraw/zinc/83/81/03/939838103.db2.gz UEIHPWCDWZZWQL-QRVBRYPASA-N 2 1 414.619 4.119 20 30 HIEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529814 939838133 /nfs/dbraw/zinc/83/81/33/939838133.db2.gz UEIHPWCDWZZWQL-QYZOEREBSA-N 2 1 414.619 4.119 20 30 HIEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529814 939838134 /nfs/dbraw/zinc/83/81/34/939838134.db2.gz UEIHPWCDWZZWQL-QYZOEREBSA-N 2 1 414.619 4.119 20 30 HIEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Br)cc1C#N ZINC000554243478 942076525 /nfs/dbraw/zinc/07/65/25/942076525.db2.gz JAHYKDCPVDMNJZ-UHFFFAOYSA-N 2 1 413.363 4.454 20 30 HIEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560918167 944369212 /nfs/dbraw/zinc/36/92/12/944369212.db2.gz SHUUYKUYOUXWJS-DEOSSOPVSA-N 2 1 412.622 4.113 20 30 HIEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000056162145 850264280 /nfs/dbraw/zinc/26/42/80/850264280.db2.gz OKRUHUYIKPGFQW-ZCNNSNEGSA-N 2 1 404.558 4.153 20 30 HIEDMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469353 851109624 /nfs/dbraw/zinc/10/96/24/851109624.db2.gz QXKSUPFWBRNVIU-OAQYLSRUSA-N 2 1 418.585 4.030 20 30 HIEDMP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1OCCCC#N ZINC000064614119 851940588 /nfs/dbraw/zinc/94/05/88/851940588.db2.gz BTUZVFKNGAGTSL-UHFFFAOYSA-N 2 1 407.558 4.440 20 30 HIEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508984 854997301 /nfs/dbraw/zinc/99/73/01/854997301.db2.gz BHVFOQWQNCHMDL-QZTJIDSGSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508984 854997306 /nfs/dbraw/zinc/99/73/06/854997306.db2.gz BHVFOQWQNCHMDL-QZTJIDSGSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000303508984 854997310 /nfs/dbraw/zinc/99/73/10/854997310.db2.gz BHVFOQWQNCHMDL-QZTJIDSGSA-N 2 1 402.970 4.127 20 30 HIEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195707 893356504 /nfs/dbraw/zinc/35/65/04/893356504.db2.gz KTAGNZXYRCONGK-XXBNENTESA-N 2 1 405.571 4.193 20 30 HIEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195707 893356523 /nfs/dbraw/zinc/35/65/23/893356523.db2.gz KTAGNZXYRCONGK-XXBNENTESA-N 2 1 405.571 4.193 20 30 HIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000510984338 919538016 /nfs/dbraw/zinc/53/80/16/919538016.db2.gz KCOKRJKADRUBDI-SANMLTNESA-N 2 1 416.613 4.413 20 30 HIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000510984338 919538040 /nfs/dbraw/zinc/53/80/40/919538040.db2.gz KCOKRJKADRUBDI-SANMLTNESA-N 2 1 416.613 4.413 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027755 939435095 /nfs/dbraw/zinc/43/50/95/939435095.db2.gz KUJQOBCYDZTBEI-PYQXHLOTSA-N 2 1 407.562 4.151 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000541957585 939662756 /nfs/dbraw/zinc/66/27/56/939662756.db2.gz GQDUSYWYGYFCER-FQEVSTJZSA-N 2 1 415.541 4.395 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000543813527 940195058 /nfs/dbraw/zinc/19/50/58/940195058.db2.gz GGUKVUJZQDSTDZ-KRWDZBQOSA-N 2 1 421.932 4.432 20 30 HIEDMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263486 941438636 /nfs/dbraw/zinc/43/86/36/941438636.db2.gz RMMKJOHSXXCUKW-KNQAVFIVSA-N 2 1 407.533 4.277 20 30 HIEDMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263486 941438639 /nfs/dbraw/zinc/43/86/39/941438639.db2.gz RMMKJOHSXXCUKW-KNQAVFIVSA-N 2 1 407.533 4.277 20 30 HIEDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000555093442 942383562 /nfs/dbraw/zinc/38/35/62/942383562.db2.gz BXFPBRFGSQJESZ-IRXDYDNUSA-N 2 1 409.496 4.288 20 30 HIEDMP C=C(C)COc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1OC ZINC000237257265 853991636 /nfs/dbraw/zinc/99/16/36/853991636.db2.gz UVGBETBUDNPAHY-HXUWFJFHSA-N 2 1 410.558 4.161 20 30 HIEDMP C=C(C)COc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1OC ZINC000237257265 853991643 /nfs/dbraw/zinc/99/16/43/853991643.db2.gz UVGBETBUDNPAHY-HXUWFJFHSA-N 2 1 410.558 4.161 20 30 HIEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000237610167 854061445 /nfs/dbraw/zinc/06/14/45/854061445.db2.gz SGFRWXUISJUUEF-OYRHEFFESA-N 2 1 407.558 4.116 20 30 HIEDMP COc1ccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1OC ZINC000303879570 855266588 /nfs/dbraw/zinc/26/65/88/855266588.db2.gz GQYCPKHWDLMTMU-HDICACEKSA-N 2 1 410.562 4.109 20 30 HIEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1 ZINC000433320199 859637552 /nfs/dbraw/zinc/63/75/52/859637552.db2.gz TXYJNJGLLKNYMG-CVDCTZTESA-N 2 1 420.586 4.093 20 30 HIEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1 ZINC000433320199 859637554 /nfs/dbraw/zinc/63/75/54/859637554.db2.gz TXYJNJGLLKNYMG-CVDCTZTESA-N 2 1 420.586 4.093 20 30 HIEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556791 864882435 /nfs/dbraw/zinc/88/24/35/864882435.db2.gz HSDSVKQPNHJPHJ-FCHUYYIVSA-N 2 1 418.585 4.343 20 30 HIEDMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000488394736 902805373 /nfs/dbraw/zinc/80/53/73/902805373.db2.gz VYLXDLNFWIEMTP-KRWDZBQOSA-N 2 1 416.635 4.269 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501778197 910833072 /nfs/dbraw/zinc/83/30/72/910833072.db2.gz UDLRUHQVQGODGN-GOSISDBHSA-N 2 1 402.608 4.073 20 30 HIEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515522809 923153784 /nfs/dbraw/zinc/15/37/84/923153784.db2.gz KBQKSISFZXIEIC-HSALFYBXSA-N 2 1 404.558 4.153 20 30 HIEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000521880134 929530027 /nfs/dbraw/zinc/53/00/27/929530027.db2.gz HEZCWDQGYFZFMI-JOCHJYFZSA-N 2 1 419.013 4.034 20 30 HIEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1 ZINC000537293878 933701011 /nfs/dbraw/zinc/70/10/11/933701011.db2.gz KMEYUKJPFXVXRD-QFIPXVFZSA-N 2 1 408.615 4.086 20 30 HIEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC000537293878 933701019 /nfs/dbraw/zinc/70/10/19/933701019.db2.gz KMEYUKJPFXVXRD-QFIPXVFZSA-N 2 1 408.615 4.086 20 30 HIEDMP C[C@H](c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1)[NH+]1CCOCC1 ZINC000542832509 939861850 /nfs/dbraw/zinc/86/18/50/939861850.db2.gz JIFVBHCLTNFTMH-HXUWFJFHSA-N 2 1 404.558 4.028 20 30 HIEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543768272 940180338 /nfs/dbraw/zinc/18/03/38/940180338.db2.gz JDYNCWNRDNCLRN-DAZPURJESA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000543768272 940180343 /nfs/dbraw/zinc/18/03/43/940180343.db2.gz JDYNCWNRDNCLRN-DAZPURJESA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543770426 940180737 /nfs/dbraw/zinc/18/07/37/940180737.db2.gz IYNAJHPYWYKARO-HFZDXXHNSA-N 2 1 402.586 4.165 20 30 HIEDMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000543770426 940180740 /nfs/dbraw/zinc/18/07/40/940180740.db2.gz IYNAJHPYWYKARO-HFZDXXHNSA-N 2 1 402.586 4.165 20 30 HIEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000555093440 942383811 /nfs/dbraw/zinc/38/38/11/942383811.db2.gz BXFPBRFGSQJESZ-CALCHBBNSA-N 2 1 409.496 4.288 20 30 HIEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000555093440 942383815 /nfs/dbraw/zinc/38/38/15/942383815.db2.gz BXFPBRFGSQJESZ-CALCHBBNSA-N 2 1 409.496 4.288 20 30 HIEDMP N#Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000556873448 942946949 /nfs/dbraw/zinc/94/69/49/942946949.db2.gz YJMCTAIPOMNFJB-VORXZUAXSA-N 2 1 400.570 4.312 20 30 HIEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103705 862291301 /nfs/dbraw/zinc/29/13/01/862291301.db2.gz BAQQZQKUOQUTNE-LTKAXEJJSA-N 2 1 404.558 4.143 20 30 HIEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103705 862291311 /nfs/dbraw/zinc/29/13/11/862291311.db2.gz BAQQZQKUOQUTNE-LTKAXEJJSA-N 2 1 404.558 4.143 20 30 HIEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000303383909 854903006 /nfs/dbraw/zinc/90/30/06/854903006.db2.gz XXLARXBFKBBUKK-OYRHEFFESA-N 2 1 412.622 4.004 20 30 HIEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304756556 855357979 /nfs/dbraw/zinc/35/79/79/855357979.db2.gz NTXZJAZVPJTGML-VQIMIIECSA-N 2 1 424.536 4.297 20 30 HIEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556793 864882397 /nfs/dbraw/zinc/88/23/97/864882397.db2.gz HSDSVKQPNHJPHJ-VXKWHMMOSA-N 2 1 418.585 4.343 20 30 HIEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922089 897306380 /nfs/dbraw/zinc/30/63/80/897306380.db2.gz MDOXTMOADNBEFH-RUZDIDTESA-N 2 1 407.558 4.073 20 30 HIEDMP C=CCSc1ccccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000485460426 900756075 /nfs/dbraw/zinc/75/60/75/900756075.db2.gz IBEIMRUZQMDVLE-UHFFFAOYSA-N 2 1 415.647 4.233 20 30 HIEDMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000508309904 917117229 /nfs/dbraw/zinc/11/72/29/917117229.db2.gz UOPJXAVXSRTCLA-UHFFFAOYSA-N 2 1 418.585 4.138 20 30 HIEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000508309904 917117241 /nfs/dbraw/zinc/11/72/41/917117241.db2.gz UOPJXAVXSRTCLA-UHFFFAOYSA-N 2 1 418.585 4.138 20 30 HIEDMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000508309904 917117254 /nfs/dbraw/zinc/11/72/54/917117254.db2.gz UOPJXAVXSRTCLA-UHFFFAOYSA-N 2 1 418.585 4.138 20 30 HIEDMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000508309904 917117258 /nfs/dbraw/zinc/11/72/58/917117258.db2.gz UOPJXAVXSRTCLA-UHFFFAOYSA-N 2 1 418.585 4.138 20 30 HIEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)c(F)c1 ZINC000532225899 931361733 /nfs/dbraw/zinc/36/17/33/931361733.db2.gz NXXKVWPIRYCDMD-HSZRJFAPSA-N 2 1 424.539 4.102 20 30 HIEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000533449079 931872599 /nfs/dbraw/zinc/87/25/99/931872599.db2.gz GFMUEMRTGVFXGN-UHFFFAOYSA-N 2 1 414.528 4.309 20 30 HIEDMP N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000534230232 932350508 /nfs/dbraw/zinc/35/05/08/932350508.db2.gz SKIIUUFYBOUNHC-UHFFFAOYSA-N 2 1 422.960 4.138 20 30 HIEDMP N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000534230232 932350517 /nfs/dbraw/zinc/35/05/17/932350517.db2.gz SKIIUUFYBOUNHC-UHFFFAOYSA-N 2 1 422.960 4.138 20 30 HIEDMP C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000537615549 938333747 /nfs/dbraw/zinc/33/37/47/938333747.db2.gz KFNXJTSRFATYAS-YJBOKZPZSA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000537615549 938333750 /nfs/dbraw/zinc/33/37/50/938333750.db2.gz KFNXJTSRFATYAS-YJBOKZPZSA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000537615549 938333756 /nfs/dbraw/zinc/33/37/56/938333756.db2.gz KFNXJTSRFATYAS-YJBOKZPZSA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000537615548 938334055 /nfs/dbraw/zinc/33/40/55/938334055.db2.gz KFNXJTSRFATYAS-QAPCUYQASA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000537615548 938334057 /nfs/dbraw/zinc/33/40/57/938334057.db2.gz KFNXJTSRFATYAS-QAPCUYQASA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000537615548 938334062 /nfs/dbraw/zinc/33/40/62/938334062.db2.gz KFNXJTSRFATYAS-QAPCUYQASA-N 2 1 411.384 4.185 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026935 939434223 /nfs/dbraw/zinc/43/42/23/939434223.db2.gz JJEPHLQQBRGOHS-ROUUACIJSA-N 2 1 419.504 4.306 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533294 939838762 /nfs/dbraw/zinc/83/87/62/939838762.db2.gz LSZIEDMBXCCGCU-CEXWTWQISA-N 2 1 414.619 4.262 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533294 939838763 /nfs/dbraw/zinc/83/87/63/939838763.db2.gz LSZIEDMBXCCGCU-CEXWTWQISA-N 2 1 414.619 4.262 20 30 HIEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000237112972 853966677 /nfs/dbraw/zinc/96/66/77/853966677.db2.gz GHPQLJRGXBDABO-UHFFFAOYSA-N 2 1 410.558 4.413 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000303892658 855273809 /nfs/dbraw/zinc/27/38/09/855273809.db2.gz NVLUBLDPYAVHRR-GFCCVEGCSA-N 2 1 403.317 4.048 20 30 HIEDMP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@@H+](C)C2CCCCC2)cc1OC ZINC000303893884 855274795 /nfs/dbraw/zinc/27/47/95/855274795.db2.gz SERXFKWOYCSNMK-UHFFFAOYSA-N 2 1 424.589 4.073 20 30 HIEDMP [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303911293 855284363 /nfs/dbraw/zinc/28/43/63/855284363.db2.gz ZMHHGAYEGRNCLI-IBGZPJMESA-N 2 1 414.937 4.065 20 30 HIEDMP COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCCC1 ZINC000305237581 855360300 /nfs/dbraw/zinc/36/03/00/855360300.db2.gz OIMQSOHFOHXXIS-QGZVFWFLSA-N 2 1 422.451 4.158 20 30 HIEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305666562 855361185 /nfs/dbraw/zinc/36/11/85/855361185.db2.gz IGMXVADHRSSCON-UWJYYQICSA-N 2 1 400.929 4.387 20 30 HIEDMP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000433329265 859646395 /nfs/dbraw/zinc/64/63/95/859646395.db2.gz GDLPKMXIEANPIN-GBXCKJPGSA-N 2 1 414.557 4.001 20 30 HIEDMP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000433329265 859646412 /nfs/dbraw/zinc/64/64/12/859646412.db2.gz GDLPKMXIEANPIN-GBXCKJPGSA-N 2 1 414.557 4.001 20 30 HIEDMP N#Cc1cccnc1OC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000463287083 876346486 /nfs/dbraw/zinc/34/64/86/876346486.db2.gz WLCNYTPKMBYTTL-UHFFFAOYSA-N 2 1 422.548 4.079 20 30 HIEDMP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495373215 906411152 /nfs/dbraw/zinc/41/11/52/906411152.db2.gz DIOYCCWFJPGIAD-SQJMNOBHSA-N 2 1 402.586 4.023 20 30 HIEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)oc1C ZINC000507637926 916397620 /nfs/dbraw/zinc/39/76/20/916397620.db2.gz QQCDPTAJWUJWDS-UHFFFAOYSA-N 2 1 406.574 4.497 20 30 HIEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000515759547 923332058 /nfs/dbraw/zinc/33/20/58/923332058.db2.gz OKRUHUYIKPGFQW-HSALFYBXSA-N 2 1 404.558 4.153 20 30 HIEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662905 930791127 /nfs/dbraw/zinc/79/11/27/930791127.db2.gz OADMEKQMFIWTMU-DLBZAZTESA-N 2 1 402.608 4.022 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662905 930791129 /nfs/dbraw/zinc/79/11/29/930791129.db2.gz OADMEKQMFIWTMU-DLBZAZTESA-N 2 1 402.608 4.022 20 30 HIEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000530662905 930791138 /nfs/dbraw/zinc/79/11/38/930791138.db2.gz OADMEKQMFIWTMU-DLBZAZTESA-N 2 1 402.608 4.022 20 30 HIEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532949832 931708024 /nfs/dbraw/zinc/70/80/24/931708024.db2.gz XHLIDPCDQNLQKK-QGZVFWFLSA-N 2 1 416.635 4.268 20 30 HIEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532949832 931708033 /nfs/dbraw/zinc/70/80/33/931708033.db2.gz XHLIDPCDQNLQKK-QGZVFWFLSA-N 2 1 416.635 4.268 20 30 HIEDMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c2cccs2)CC1 ZINC000535784325 933386166 /nfs/dbraw/zinc/38/61/66/933386166.db2.gz IKEZWFUDRZRXDP-MHIUNMELSA-N 2 1 408.615 4.030 20 30 HIEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000537999693 938457671 /nfs/dbraw/zinc/45/76/71/938457671.db2.gz FCSVXXPZKGXFBU-UHFFFAOYSA-N 2 1 406.412 4.044 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533296 939838909 /nfs/dbraw/zinc/83/89/09/939838909.db2.gz LSZIEDMBXCCGCU-QRVBRYPASA-N 2 1 414.619 4.262 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533296 939838911 /nfs/dbraw/zinc/83/89/11/939838911.db2.gz LSZIEDMBXCCGCU-QRVBRYPASA-N 2 1 414.619 4.262 20 30 HIEDMP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000437085347 862279238 /nfs/dbraw/zinc/27/92/38/862279238.db2.gz ZUCZLRMJPHGCDM-MQEXIPMMSA-N 2 1 416.569 4.143 20 30 HIEDMP COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000303787040 855197621 /nfs/dbraw/zinc/19/76/21/855197621.db2.gz SAKCQQOPACFKSX-GOSISDBHSA-N 2 1 422.451 4.158 20 30 HIEDMP C[N@@H+](Cc1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000304482085 855356662 /nfs/dbraw/zinc/35/66/62/855356662.db2.gz IRLWISMZHZGCBP-HSZRJFAPSA-N 2 1 406.574 4.379 20 30 HIEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305666559 855361113 /nfs/dbraw/zinc/36/11/13/855361113.db2.gz IGMXVADHRSSCON-UTKZUKDTSA-N 2 1 400.929 4.387 20 30 HIEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556794 864882345 /nfs/dbraw/zinc/88/23/45/864882345.db2.gz HSDSVKQPNHJPHJ-YADHBBJMSA-N 2 1 418.585 4.343 20 30 HIEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000439556792 864882527 /nfs/dbraw/zinc/88/25/27/864882527.db2.gz HSDSVKQPNHJPHJ-FGZHOGPDSA-N 2 1 418.585 4.343 20 30 HIEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000478056590 893210676 /nfs/dbraw/zinc/21/06/76/893210676.db2.gz HMGSECGYBVMIMQ-KRWDZBQOSA-N 2 1 402.970 4.127 20 30 HIEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874699 898488196 /nfs/dbraw/zinc/48/81/96/898488196.db2.gz JLJNWCILVFMQOA-WNOPAQSVSA-N 2 1 406.549 4.166 20 30 HIEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874699 898488200 /nfs/dbraw/zinc/48/82/00/898488200.db2.gz JLJNWCILVFMQOA-WNOPAQSVSA-N 2 1 406.549 4.166 20 30 HIEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487174 915092152 /nfs/dbraw/zinc/09/21/52/915092152.db2.gz NSPWCCLZYXOKBH-ZWKOTPCHSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487174 915092168 /nfs/dbraw/zinc/09/21/68/915092168.db2.gz NSPWCCLZYXOKBH-ZWKOTPCHSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487174 915092186 /nfs/dbraw/zinc/09/21/86/915092186.db2.gz NSPWCCLZYXOKBH-ZWKOTPCHSA-N 2 1 414.619 4.023 20 30 HIEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487174 915092205 /nfs/dbraw/zinc/09/22/05/915092205.db2.gz NSPWCCLZYXOKBH-ZWKOTPCHSA-N 2 1 414.619 4.023 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000527100068 930590226 /nfs/dbraw/zinc/59/02/26/930590226.db2.gz CJFOZTZJPYYCSU-OXYBSBDGSA-N 2 1 401.514 4.488 20 30 HIEDMP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)CCC2 ZINC000533271134 931824787 /nfs/dbraw/zinc/82/47/87/931824787.db2.gz CFYZVCMOPHQQNO-SFHVURJKSA-N 2 1 414.619 4.025 20 30 HIEDMP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)CCC2 ZINC000533271134 931824789 /nfs/dbraw/zinc/82/47/89/931824789.db2.gz CFYZVCMOPHQQNO-SFHVURJKSA-N 2 1 414.619 4.025 20 30 HIEDMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539509077 938870793 /nfs/dbraw/zinc/87/07/93/938870793.db2.gz SRLILKPBRZGVMG-BKMJKUGQSA-N 2 1 416.613 4.413 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000539818818 938942208 /nfs/dbraw/zinc/94/22/08/938942208.db2.gz NVWHFSVGTSTAMM-RDJZCZTQSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000539818818 938942220 /nfs/dbraw/zinc/94/22/20/938942220.db2.gz NVWHFSVGTSTAMM-RDJZCZTQSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000539818818 938942226 /nfs/dbraw/zinc/94/22/26/938942226.db2.gz NVWHFSVGTSTAMM-RDJZCZTQSA-N 2 1 411.384 4.327 20 30 HIEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000539818818 938942230 /nfs/dbraw/zinc/94/22/30/938942230.db2.gz NVWHFSVGTSTAMM-RDJZCZTQSA-N 2 1 411.384 4.327 20 30 HIEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027751 939435267 /nfs/dbraw/zinc/43/52/67/939435267.db2.gz KUJQOBCYDZTBEI-AAXCNWCCSA-N 2 1 407.562 4.151 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000543459548 940069295 /nfs/dbraw/zinc/06/92/95/940069295.db2.gz VYNCXFWGTRKMER-FKBYEOEOSA-N 2 1 410.606 4.181 20 30 HIEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000543459548 940069298 /nfs/dbraw/zinc/06/92/98/940069298.db2.gz VYNCXFWGTRKMER-FKBYEOEOSA-N 2 1 410.606 4.181 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543768274 940180113 /nfs/dbraw/zinc/18/01/13/940180113.db2.gz JDYNCWNRDNCLRN-IHOQQJHYSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000543768274 940180116 /nfs/dbraw/zinc/18/01/16/940180116.db2.gz JDYNCWNRDNCLRN-IHOQQJHYSA-N 2 1 404.558 4.286 20 30 HIEDMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000573708765 948278798 /nfs/dbraw/zinc/27/87/98/948278798.db2.gz YGDASGXNVAZSIC-QPPBQGQZSA-N 2 1 402.586 4.417 20 30 HIEDMP COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCCC1 ZINC000305237580 855359926 /nfs/dbraw/zinc/35/99/26/855359926.db2.gz OIMQSOHFOHXXIS-KRWDZBQOSA-N 2 1 422.451 4.158 20 30 HIEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000478204826 893367665 /nfs/dbraw/zinc/36/76/65/893367665.db2.gz ZDNUCDUSTMYYNM-OFNKIYASSA-N 2 1 413.569 4.349 20 30 HIEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000541024837 939433630 /nfs/dbraw/zinc/43/36/30/939433630.db2.gz SFCSCGOQFKZTOW-ROUUACIJSA-N 2 1 408.571 4.496 20 30 HIEDMP C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599489 939563813 /nfs/dbraw/zinc/56/38/13/939563813.db2.gz GWDGRHFWDVLBPZ-IAGOWNOFSA-N 2 1 414.619 4.070 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533295 939838978 /nfs/dbraw/zinc/83/89/78/939838978.db2.gz LSZIEDMBXCCGCU-GUDVDZBRSA-N 2 1 414.619 4.262 20 30 HIEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542533295 939838979 /nfs/dbraw/zinc/83/89/79/939838979.db2.gz LSZIEDMBXCCGCU-GUDVDZBRSA-N 2 1 414.619 4.262 20 30 HIEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000305239832 855361248 /nfs/dbraw/zinc/36/12/48/855361248.db2.gz QKGGZYYUDPKVCO-GOSISDBHSA-N 2 1 422.451 4.158 20 30 HIEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)CC1 ZINC000439458774 864839075 /nfs/dbraw/zinc/83/90/75/864839075.db2.gz ULKGJUDPWFQGKK-MRXNPFEDSA-N 2 1 400.929 4.343 20 30 HIEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444667204 868945849 /nfs/dbraw/zinc/94/58/49/868945849.db2.gz SIHSNEZJBQZKBP-DSNGMDLFSA-N 2 1 403.570 4.070 20 30 HIEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)C1 ZINC000479983810 895337824 /nfs/dbraw/zinc/33/78/24/895337824.db2.gz PFBVEFMWCBJKEP-FQEVSTJZSA-N 2 1 413.569 4.480 20 30 HIEDMP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000506889443 915684303 /nfs/dbraw/zinc/68/43/03/915684303.db2.gz NUMMRZYXTBMSJI-LJQANCHMSA-N 2 1 422.598 4.129 20 30 HIEDMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000506889443 915684312 /nfs/dbraw/zinc/68/43/12/915684312.db2.gz NUMMRZYXTBMSJI-LJQANCHMSA-N 2 1 422.598 4.129 20 30 HIEDMP C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000537615546 938334167 /nfs/dbraw/zinc/33/41/67/938334167.db2.gz KFNXJTSRFATYAS-MAUKXSAKSA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000537615546 938334170 /nfs/dbraw/zinc/33/41/70/938334170.db2.gz KFNXJTSRFATYAS-MAUKXSAKSA-N 2 1 411.384 4.185 20 30 HIEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000537615546 938334176 /nfs/dbraw/zinc/33/41/76/938334176.db2.gz KFNXJTSRFATYAS-MAUKXSAKSA-N 2 1 411.384 4.185 20 30 HIEDMP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000543775085 940181562 /nfs/dbraw/zinc/18/15/62/940181562.db2.gz APKZJZRDTWGJAA-JNLGVIEDSA-N 2 1 403.570 4.137 20 30 HIEDMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1 ZINC000559891605 944077776 /nfs/dbraw/zinc/07/77/76/944077776.db2.gz DGSWRXPTJVXAQG-CVDCTZTESA-N 2 1 407.533 4.277 20 30 HIEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000566331116 946002721 /nfs/dbraw/zinc/00/27/21/946002721.db2.gz ODOIKYOEIXWMFY-VWLOTQADSA-N 2 1 402.586 4.417 20 30 HIEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000566331116 946002734 /nfs/dbraw/zinc/00/27/34/946002734.db2.gz ODOIKYOEIXWMFY-VWLOTQADSA-N 2 1 402.586 4.417 20 30 HIEDMP