smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([C@@H]1C[C@H](N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C[NH2+]1)N1CCSC1 ZINC000084690171 563176326 /nfs/dbraw/zinc/17/63/26/563176326.db2.gz LMJHTBIYAYWJKI-LPHOPBHVSA-N 2 1 431.993 2.274 20 0 IEADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5C[NH2+]C[C@]5(CO)C4)c32)C1 ZINC001164402580 718853315 /nfs/dbraw/zinc/85/33/15/718853315.db2.gz GJNJJUAWEILVRJ-CKNGIIGNSA-N 2 1 427.618 2.430 20 0 IEADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164622571 719120538 /nfs/dbraw/zinc/12/05/38/719120538.db2.gz PJURWFMWHDSXQO-AOIWGVFYSA-N 2 1 447.599 2.394 20 0 IEADMP C[NH+]1CCN(c2nccc(N(c3cccc(F)c3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)CC1 ZINC001164652347 719297283 /nfs/dbraw/zinc/29/72/83/719297283.db2.gz MWKHPXMDMIMZRN-NZQKXSOJSA-N 2 1 426.540 2.417 20 0 IEADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccsc3c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164683369 719610671 /nfs/dbraw/zinc/61/06/71/719610671.db2.gz IJYCANSZWSNVEU-UHFFFAOYSA-N 2 1 427.578 2.200 20 0 IEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccsc3c(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164683369 719610676 /nfs/dbraw/zinc/61/06/76/719610676.db2.gz IJYCANSZWSNVEU-UHFFFAOYSA-N 2 1 427.578 2.200 20 0 IEADMP CC(C)[N@H+](C)Cc1nn(-c2c(Cl)nc(N3CCOCC3)nc2Cl)c2c1CC[NH2+]C2 ZINC001164682120 719626662 /nfs/dbraw/zinc/62/66/62/719626662.db2.gz LTTSBQQIJOVEOW-UHFFFAOYSA-N 2 1 440.379 2.292 20 0 IEADMP CC(C)[N@@H+](C)Cc1nn(-c2c(Cl)nc(N3CCOCC3)nc2Cl)c2c1CC[NH2+]C2 ZINC001164682120 719626666 /nfs/dbraw/zinc/62/66/66/719626666.db2.gz LTTSBQQIJOVEOW-UHFFFAOYSA-N 2 1 440.379 2.292 20 0 IEADMP COC(=O)c1cc2c(nc(Cl)nc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1C ZINC001164680154 719635360 /nfs/dbraw/zinc/63/53/60/719635360.db2.gz QHUPIKRUAIJVKO-UHFFFAOYSA-N 2 1 431.928 2.080 20 0 IEADMP COC(=O)c1cc2c(nc(Cl)nc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1C ZINC001164680154 719635366 /nfs/dbraw/zinc/63/53/66/719635366.db2.gz QHUPIKRUAIJVKO-UHFFFAOYSA-N 2 1 431.928 2.080 20 0 IEADMP CCC(CC)NS(=O)(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679427 719640763 /nfs/dbraw/zinc/64/07/63/719640763.db2.gz AGOVMZOEOZCVDW-UHFFFAOYSA-N 2 1 434.610 2.220 20 0 IEADMP CCC(CC)NS(=O)(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679427 719640771 /nfs/dbraw/zinc/64/07/71/719640771.db2.gz AGOVMZOEOZCVDW-UHFFFAOYSA-N 2 1 434.610 2.220 20 0 IEADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001164812973 720163095 /nfs/dbraw/zinc/16/30/95/720163095.db2.gz BCHVPIKTEXDQMD-GBXCKJPGSA-N 2 1 441.624 2.257 20 0 IEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001164812973 720163107 /nfs/dbraw/zinc/16/31/07/720163107.db2.gz BCHVPIKTEXDQMD-GBXCKJPGSA-N 2 1 441.624 2.257 20 0 IEADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001164825225 720350309 /nfs/dbraw/zinc/35/03/09/720350309.db2.gz JABKTDUGFPDVCS-XZOQPEGZSA-N 2 1 441.620 2.466 20 0 IEADMP CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164840776 720570346 /nfs/dbraw/zinc/57/03/46/720570346.db2.gz STKLNVOMSQVKFH-BAGYTPMASA-N 2 1 439.608 2.450 20 0 IEADMP CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164840776 720570355 /nfs/dbraw/zinc/57/03/55/720570355.db2.gz STKLNVOMSQVKFH-BAGYTPMASA-N 2 1 439.608 2.450 20 0 IEADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164750117 720956734 /nfs/dbraw/zinc/95/67/34/720956734.db2.gz KCESNIUFRYDQDJ-UHFFFAOYSA-N 2 1 445.527 2.322 20 0 IEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164789430 721474653 /nfs/dbraw/zinc/47/46/53/721474653.db2.gz MTHPOVGUXGYXFL-OAQYLSRUSA-N 2 1 429.609 2.206 20 0 IEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001165018805 721817708 /nfs/dbraw/zinc/81/77/08/721817708.db2.gz AKAKZTVAJWLCCL-UEVCKROQSA-N 2 1 434.588 2.259 20 0 IEADMP C[NH+]1CCN(c2cccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164964186 722057806 /nfs/dbraw/zinc/05/78/06/722057806.db2.gz SSLAUFDXZYCRLY-UHFFFAOYSA-N 2 1 436.604 2.347 20 0 IEADMP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)C3)c1 ZINC001164996227 722206562 /nfs/dbraw/zinc/20/65/62/722206562.db2.gz RWTZYOVIEAPSDN-XMMPIXPASA-N 2 1 438.551 2.300 20 0 IEADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)C3)c1 ZINC001164996227 722206565 /nfs/dbraw/zinc/20/65/65/722206565.db2.gz RWTZYOVIEAPSDN-XMMPIXPASA-N 2 1 438.551 2.300 20 0 IEADMP CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001165006744 722266937 /nfs/dbraw/zinc/26/69/37/722266937.db2.gz MJLQREXKZOCUIS-XMMPIXPASA-N 2 1 438.551 2.076 20 0 IEADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[NH2+]C[C@@]5(CO)C3)n2)CCC4)CC1 ZINC001164409216 718853107 /nfs/dbraw/zinc/85/31/07/718853107.db2.gz UQSINANEXZZSFI-HJPURHCSSA-N 2 1 427.618 2.430 20 0 IEADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[NH2+]C[C@]5(CO)C4)c32)C1 ZINC001164402583 718853651 /nfs/dbraw/zinc/85/36/51/718853651.db2.gz GJNJJUAWEILVRJ-VBURHUQHSA-N 2 1 427.618 2.430 20 0 IEADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164432636 718970639 /nfs/dbraw/zinc/97/06/39/718970639.db2.gz IDGIFVGMHVFJLS-PMACEKPBSA-N 2 1 442.482 2.076 20 0 IEADMP C[NH+]1CCN(c2nccc(N(c3cccc(F)c3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)CC1 ZINC001164652342 719297178 /nfs/dbraw/zinc/29/71/78/719297178.db2.gz MWKHPXMDMIMZRN-NFBKMPQASA-N 2 1 426.540 2.417 20 0 IEADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164716357 720126185 /nfs/dbraw/zinc/12/61/85/720126185.db2.gz KLMGQSBVQLSHHN-OAQYLSRUSA-N 2 1 438.576 2.216 20 0 IEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164716357 720126193 /nfs/dbraw/zinc/12/61/93/720126193.db2.gz KLMGQSBVQLSHHN-OAQYLSRUSA-N 2 1 438.576 2.216 20 0 IEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164827368 720304333 /nfs/dbraw/zinc/30/43/33/720304333.db2.gz XCWJLFBVTLGWCA-ZWKOTPCHSA-N 2 1 440.548 2.046 20 0 IEADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001164825221 720350435 /nfs/dbraw/zinc/35/04/35/720350435.db2.gz JABKTDUGFPDVCS-GOTSBHOMSA-N 2 1 441.620 2.466 20 0 IEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@@H]21 ZINC001164839498 720610164 /nfs/dbraw/zinc/61/01/64/720610164.db2.gz NNFFGLSMEPWUJP-DYXWJJEUSA-N 2 1 425.581 2.182 20 0 IEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@@H]21 ZINC001164835170 720631315 /nfs/dbraw/zinc/63/13/15/720631315.db2.gz AFOSJBBHFNLSQD-FSSWDIPSSA-N 2 1 439.608 2.429 20 0 IEADMP Clc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2c(n1)C[NH2+]CC2 ZINC001164751838 720843833 /nfs/dbraw/zinc/84/38/33/720843833.db2.gz ZDRYYAWMEHDJLQ-ABSDTBQOSA-N 2 1 427.984 2.352 20 0 IEADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164860121 720855265 /nfs/dbraw/zinc/85/52/65/720855265.db2.gz VGMIXJVYEWGEEE-MJGOQNOKSA-N 2 1 445.564 2.152 20 0 IEADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164860121 720855266 /nfs/dbraw/zinc/85/52/66/720855266.db2.gz VGMIXJVYEWGEEE-MJGOQNOKSA-N 2 1 445.564 2.152 20 0 IEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(C4C[NH2+]C4)ncn2)C3)c1 ZINC001164752664 720940427 /nfs/dbraw/zinc/94/04/27/720940427.db2.gz OISFOLZLSZRTGY-RDGATRHJSA-N 2 1 434.588 2.314 20 0 IEADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1 ZINC001164754879 720968561 /nfs/dbraw/zinc/96/85/61/720968561.db2.gz ZAGLGGDMKFVPPB-IBGZPJMESA-N 2 1 426.565 2.471 20 0 IEADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164893557 721399532 /nfs/dbraw/zinc/39/95/32/721399532.db2.gz VCGTYTWWGOZEIU-XXBNENTESA-N 2 1 449.043 2.362 20 0 IEADMP C[NH+]1CCN(c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164903587 721585576 /nfs/dbraw/zinc/58/55/76/721585576.db2.gz ALFDEMWYDNMYKP-QFIPXVFZSA-N 2 1 443.546 2.361 20 0 IEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001165018806 721817625 /nfs/dbraw/zinc/81/76/25/721817625.db2.gz AKAKZTVAJWLCCL-WTIAFYNJSA-N 2 1 434.588 2.259 20 0 IEADMP Clc1nc2c(c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n1)CC[NH2+]C2 ZINC001164959464 722053574 /nfs/dbraw/zinc/05/35/74/722053574.db2.gz KIYDSOHSZSEKRL-UHFFFAOYSA-N 2 1 428.968 2.290 20 0 IEADMP c1cc(C[N@H+]2CCOCC3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC3)C2)ccn1 ZINC001164962223 722059979 /nfs/dbraw/zinc/05/99/79/722059979.db2.gz QLXJTABWCXIGQA-UHFFFAOYSA-N 2 1 438.576 2.121 20 0 IEADMP Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164986445 722184103 /nfs/dbraw/zinc/18/41/03/722184103.db2.gz DFPVLDNOSCZIDG-UXHICEINSA-N 2 1 443.621 2.039 20 0 IEADMP CN(C)c1nc(N2CCOC[C@]3(CCCN(c4cc(C[NH+](C)C)ccn4)C3)C2)cc[nH+]1 ZINC001164664212 719357884 /nfs/dbraw/zinc/35/78/84/719357884.db2.gz LYUURIHGHBAOKN-QHCPKHFHSA-N 2 1 425.581 2.123 20 0 IEADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(N(C)Cc3ccc(OC)cc3)cc[nH+]1)CC2 ZINC001164689550 719751282 /nfs/dbraw/zinc/75/12/82/719751282.db2.gz HNVKQILVJHVRRD-UHFFFAOYSA-N 2 1 438.576 2.302 20 0 IEADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(N(C)Cc3ccc(OC)cc3)cc[nH+]1)CC2 ZINC001164689550 719751289 /nfs/dbraw/zinc/75/12/89/719751289.db2.gz HNVKQILVJHVRRD-UHFFFAOYSA-N 2 1 438.576 2.302 20 0 IEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164711732 720131946 /nfs/dbraw/zinc/13/19/46/720131946.db2.gz IQRSTFDEQMKBBX-HSZRJFAPSA-N 2 1 436.604 2.394 20 0 IEADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164721549 720290996 /nfs/dbraw/zinc/29/09/96/720290996.db2.gz KZPWRIVFPRFHPN-VWLOTQADSA-N 2 1 437.588 2.500 20 0 IEADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164721549 720291009 /nfs/dbraw/zinc/29/10/09/720291009.db2.gz KZPWRIVFPRFHPN-VWLOTQADSA-N 2 1 437.588 2.500 20 0 IEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839499 720608724 /nfs/dbraw/zinc/60/87/24/720608724.db2.gz NNFFGLSMEPWUJP-IRFCIJBXSA-N 2 1 425.581 2.182 20 0 IEADMP COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851373 720850627 /nfs/dbraw/zinc/85/06/27/720850627.db2.gz GUXSQWHBJAQACN-URXFXBBRSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851373 720850632 /nfs/dbraw/zinc/85/06/32/720850632.db2.gz GUXSQWHBJAQACN-URXFXBBRSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[NH+]1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851373 720850633 /nfs/dbraw/zinc/85/06/33/720850633.db2.gz GUXSQWHBJAQACN-URXFXBBRSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[NH+]1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851373 720850634 /nfs/dbraw/zinc/85/06/34/720850634.db2.gz GUXSQWHBJAQACN-URXFXBBRSA-N 2 1 437.588 2.208 20 0 IEADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868697 721069833 /nfs/dbraw/zinc/06/98/33/721069833.db2.gz PXBAHCXTRFGUNR-OALUTQOASA-N 2 1 428.968 2.472 20 0 IEADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164778061 721337714 /nfs/dbraw/zinc/33/77/14/721337714.db2.gz UCSUXATYBKPTAR-JOCHJYFZSA-N 2 1 446.983 2.500 20 0 IEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164778061 721337719 /nfs/dbraw/zinc/33/77/19/721337719.db2.gz UCSUXATYBKPTAR-JOCHJYFZSA-N 2 1 446.983 2.500 20 0 IEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164800083 721587136 /nfs/dbraw/zinc/58/71/36/721587136.db2.gz BSLDCGSTNOYDRK-PQNGQFLHSA-N 2 1 438.576 2.118 20 0 IEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164800083 721587138 /nfs/dbraw/zinc/58/71/38/721587138.db2.gz BSLDCGSTNOYDRK-PQNGQFLHSA-N 2 1 438.576 2.118 20 0 IEADMP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ncccc1C[NH+]1CCCC1 ZINC001164950073 721991466 /nfs/dbraw/zinc/99/14/66/721991466.db2.gz IINPENODHJLBRQ-DENIHFKCSA-N 2 1 434.606 2.277 20 0 IEADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5C[NH2+]C[C@@]5(CO)C4)c32)C1 ZINC001164402581 718853672 /nfs/dbraw/zinc/85/36/72/718853672.db2.gz GJNJJUAWEILVRJ-LNPFQXMTSA-N 2 1 427.618 2.430 20 0 IEADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[NH2+]C[C@@]5(CO)C4)c32)C1 ZINC001164402582 718853749 /nfs/dbraw/zinc/85/37/49/718853749.db2.gz GJNJJUAWEILVRJ-SYJLOODJSA-N 2 1 427.618 2.430 20 0 IEADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164716342 720127150 /nfs/dbraw/zinc/12/71/50/720127150.db2.gz KLMGQSBVQLSHHN-NRFANRHFSA-N 2 1 438.576 2.216 20 0 IEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164716342 720127158 /nfs/dbraw/zinc/12/71/58/720127158.db2.gz KLMGQSBVQLSHHN-NRFANRHFSA-N 2 1 438.576 2.216 20 0 IEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164711733 720132941 /nfs/dbraw/zinc/13/29/41/720132941.db2.gz IQRSTFDEQMKBBX-QHCPKHFHSA-N 2 1 436.604 2.394 20 0 IEADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)C1 ZINC001164728161 720515318 /nfs/dbraw/zinc/51/53/18/720515318.db2.gz JHNBERQBAUGILE-MRXNPFEDSA-N 2 1 425.537 2.373 20 0 IEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@@H]21 ZINC001164839501 720609835 /nfs/dbraw/zinc/60/98/35/720609835.db2.gz NNFFGLSMEPWUJP-ZJOUEHCJSA-N 2 1 425.581 2.182 20 0 IEADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738502 720682566 /nfs/dbraw/zinc/68/25/66/720682566.db2.gz KDFMBGHGPOKSNA-NHCUHLMSSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738502 720682580 /nfs/dbraw/zinc/68/25/80/720682580.db2.gz KDFMBGHGPOKSNA-NHCUHLMSSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738502 720682587 /nfs/dbraw/zinc/68/25/87/720682587.db2.gz KDFMBGHGPOKSNA-NHCUHLMSSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738502 720682596 /nfs/dbraw/zinc/68/25/96/720682596.db2.gz KDFMBGHGPOKSNA-NHCUHLMSSA-N 2 1 443.555 2.167 20 0 IEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncnc4c2CC[NH2+]CC4)C3)c1 ZINC001164755223 720869928 /nfs/dbraw/zinc/86/99/28/720869928.db2.gz VDVQDYHBZPDJEN-ATIYNZHBSA-N 2 1 448.615 2.315 20 0 IEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164752927 720877819 /nfs/dbraw/zinc/87/78/19/720877819.db2.gz NMNZMDYKUGBNGI-RCZVLFRGSA-N 2 1 434.588 2.272 20 0 IEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164752928 720877915 /nfs/dbraw/zinc/87/79/15/720877915.db2.gz NMNZMDYKUGBNGI-RDGATRHJSA-N 2 1 434.588 2.272 20 0 IEADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164777995 721333161 /nfs/dbraw/zinc/33/31/61/721333161.db2.gz RYGLTQBLSYAPQS-QFIPXVFZSA-N 2 1 446.983 2.500 20 0 IEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164777995 721333166 /nfs/dbraw/zinc/33/31/66/721333166.db2.gz RYGLTQBLSYAPQS-QFIPXVFZSA-N 2 1 446.983 2.500 20 0 IEADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)O2)CC1 ZINC001164891589 721427838 /nfs/dbraw/zinc/42/78/38/721427838.db2.gz HDFQLEZZYLHFTM-RDGATRHJSA-N 2 1 443.636 2.322 20 0 IEADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164891608 721451246 /nfs/dbraw/zinc/45/12/46/721451246.db2.gz UXMAYRCLFSLTBE-ILBGXUMGSA-N 2 1 443.636 2.225 20 0 IEADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164782790 721460352 /nfs/dbraw/zinc/46/03/52/721460352.db2.gz BVUZMPOSZTUHGD-SFHVURJKSA-N 2 1 430.549 2.146 20 0 IEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164782790 721460353 /nfs/dbraw/zinc/46/03/53/721460353.db2.gz BVUZMPOSZTUHGD-SFHVURJKSA-N 2 1 430.549 2.146 20 0 IEADMP CCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164908097 721544658 /nfs/dbraw/zinc/54/46/58/721544658.db2.gz OQKQXBBPFIVCRG-FPOVZHCZSA-N 2 1 427.524 2.357 20 0 IEADMP CCc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164908097 721544660 /nfs/dbraw/zinc/54/46/60/721544660.db2.gz OQKQXBBPFIVCRG-FPOVZHCZSA-N 2 1 427.524 2.357 20 0 IEADMP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ncccc1C[NH+]1CCCC1 ZINC001164950075 721991303 /nfs/dbraw/zinc/99/13/03/721991303.db2.gz IINPENODHJLBRQ-KNQAVFIVSA-N 2 1 434.606 2.277 20 0 IEADMP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)C3)c1 ZINC001164996225 722206689 /nfs/dbraw/zinc/20/66/89/722206689.db2.gz RWTZYOVIEAPSDN-DEOSSOPVSA-N 2 1 438.551 2.300 20 0 IEADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)C3)c1 ZINC001164996225 722206692 /nfs/dbraw/zinc/20/66/92/722206692.db2.gz RWTZYOVIEAPSDN-DEOSSOPVSA-N 2 1 438.551 2.300 20 0 IEADMP CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001165006743 722266926 /nfs/dbraw/zinc/26/69/26/722266926.db2.gz MJLQREXKZOCUIS-DEOSSOPVSA-N 2 1 438.551 2.076 20 0 IEADMP C[NH+]1CCN(c2ncc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cn2)CC1 ZINC001461673117 1126196051 /nfs/dbraw/zinc/19/60/51/1126196051.db2.gz QSLROHHLULMXNA-FQEVSTJZSA-N 2 1 434.382 2.074 20 0 IEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423515 718916223 /nfs/dbraw/zinc/91/62/23/718916223.db2.gz HXYQTLQXVIOPAV-JOCHJYFZSA-N 2 1 431.606 2.489 20 0 IEADMP CC(C)CCNS(=O)(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679533 719640588 /nfs/dbraw/zinc/64/05/88/719640588.db2.gz FNCGMOSDRMHATO-UHFFFAOYSA-N 2 1 434.610 2.078 20 0 IEADMP CC(C)CCNS(=O)(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679533 719640592 /nfs/dbraw/zinc/64/05/92/719640592.db2.gz FNCGMOSDRMHATO-UHFFFAOYSA-N 2 1 434.610 2.078 20 0 IEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164842710 720701132 /nfs/dbraw/zinc/70/11/32/720701132.db2.gz MWDGZSYZLMNLFE-QFIPXVFZSA-N 2 1 449.599 2.387 20 0 IEADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164860119 720855245 /nfs/dbraw/zinc/85/52/45/720855245.db2.gz VGMIXJVYEWGEEE-IEBWSBKVSA-N 2 1 445.564 2.152 20 0 IEADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164860119 720855247 /nfs/dbraw/zinc/85/52/47/720855247.db2.gz VGMIXJVYEWGEEE-IEBWSBKVSA-N 2 1 445.564 2.152 20 0 IEADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868699 721070529 /nfs/dbraw/zinc/07/05/29/721070529.db2.gz PXBAHCXTRFGUNR-RTBURBONSA-N 2 1 428.968 2.472 20 0 IEADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)O2)CC1 ZINC001164891588 721427425 /nfs/dbraw/zinc/42/74/25/721427425.db2.gz HDFQLEZZYLHFTM-RCZVLFRGSA-N 2 1 443.636 2.322 20 0 IEADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164782789 721460389 /nfs/dbraw/zinc/46/03/89/721460389.db2.gz BVUZMPOSZTUHGD-GOSISDBHSA-N 2 1 430.549 2.146 20 0 IEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164782789 721460392 /nfs/dbraw/zinc/46/03/92/721460392.db2.gz BVUZMPOSZTUHGD-GOSISDBHSA-N 2 1 430.549 2.146 20 0 IEADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164786853 721462262 /nfs/dbraw/zinc/46/22/62/721462262.db2.gz PXQDXMFHRRVHJV-NRFANRHFSA-N 2 1 445.608 2.047 20 0 IEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164786853 721462263 /nfs/dbraw/zinc/46/22/63/721462263.db2.gz PXQDXMFHRRVHJV-NRFANRHFSA-N 2 1 445.608 2.047 20 0 IEADMP FC1(F)CCN(c2ccc(N3CC[NH2+]CC3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906706 721691864 /nfs/dbraw/zinc/69/18/64/721691864.db2.gz PDUQIEDYEUZFNA-OAQYLSRUSA-N 2 1 429.519 2.019 20 0 IEADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccnc(N5CC[NH+](C)CC5)n4)CC3)C2)cc1 ZINC001164939036 721932365 /nfs/dbraw/zinc/93/23/65/721932365.db2.gz HPHRSAFNCANPOP-UHFFFAOYSA-N 2 1 436.604 2.408 20 0 IEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccnc(N5CC[NH+](C)CC5)n4)CC3)C2)cc1 ZINC001164939036 721932366 /nfs/dbraw/zinc/93/23/66/721932366.db2.gz HPHRSAFNCANPOP-UHFFFAOYSA-N 2 1 436.604 2.408 20 0 IEADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164432639 718971252 /nfs/dbraw/zinc/97/12/52/718971252.db2.gz IDGIFVGMHVFJLS-WOJBJXKFSA-N 2 1 442.482 2.076 20 0 IEADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC(C3C[NH2+]C3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164614757 719037164 /nfs/dbraw/zinc/03/71/64/719037164.db2.gz GJXMFCZUDQLYBZ-KRWDZBQOSA-N 2 1 429.609 2.316 20 0 IEADMP CCOC(=O)c1ccnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C(=O)OCC ZINC001164684617 719653081 /nfs/dbraw/zinc/65/30/81/719653081.db2.gz YHNVIUSZHRIAAF-UHFFFAOYSA-N 2 1 429.521 2.107 20 0 IEADMP CCOC(=O)c1ccnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C(=O)OCC ZINC001164684617 719653089 /nfs/dbraw/zinc/65/30/89/719653089.db2.gz YHNVIUSZHRIAAF-UHFFFAOYSA-N 2 1 429.521 2.107 20 0 IEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc4c(nn2)CC[NH2+]C4)C3)c1 ZINC001164754471 720897873 /nfs/dbraw/zinc/89/78/73/720897873.db2.gz IZZUJZQIJVFTHL-RCZVLFRGSA-N 2 1 434.588 2.272 20 0 IEADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)O2)CC1 ZINC001164891590 721427798 /nfs/dbraw/zinc/42/77/98/721427798.db2.gz HDFQLEZZYLHFTM-WIOPSUGQSA-N 2 1 443.636 2.322 20 0 IEADMP CCc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164908098 721543986 /nfs/dbraw/zinc/54/39/86/721543986.db2.gz OQKQXBBPFIVCRG-PZJWPPBQSA-N 2 1 427.524 2.357 20 0 IEADMP CCc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164908098 721543988 /nfs/dbraw/zinc/54/39/88/721543988.db2.gz OQKQXBBPFIVCRG-PZJWPPBQSA-N 2 1 427.524 2.357 20 0 IEADMP Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164986451 722184118 /nfs/dbraw/zinc/18/41/18/722184118.db2.gz DFPVLDNOSCZIDG-VQTJNVASSA-N 2 1 443.621 2.039 20 0 IEADMP COc1cc2cc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2cc1OC ZINC001164996267 722234422 /nfs/dbraw/zinc/23/44/22/722234422.db2.gz AMFYEOQUOMLMJG-UHFFFAOYSA-N 2 1 434.544 2.399 20 0 IEADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[NH2+]C[C@]5(CO)C3)n2)CCC4)CC1 ZINC001164409224 718853132 /nfs/dbraw/zinc/85/31/32/718853132.db2.gz UQSINANEXZZSFI-QMHKHESXSA-N 2 1 427.618 2.430 20 0 IEADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5C[NH2+]C[C@]5(CO)C3)n2)CCC4)CC1 ZINC001164409228 718853360 /nfs/dbraw/zinc/85/33/60/718853360.db2.gz UQSINANEXZZSFI-WAIKUNEKSA-N 2 1 427.618 2.430 20 0 IEADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001164812975 720165675 /nfs/dbraw/zinc/16/56/75/720165675.db2.gz BCHVPIKTEXDQMD-RDPSFJRHSA-N 2 1 441.624 2.257 20 0 IEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001164812975 720165687 /nfs/dbraw/zinc/16/56/87/720165687.db2.gz BCHVPIKTEXDQMD-RDPSFJRHSA-N 2 1 441.624 2.257 20 0 IEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(OC3CC[NH+](C)CC3)ccn1)CCC2 ZINC001164817971 720244223 /nfs/dbraw/zinc/24/42/23/720244223.db2.gz VUOZCHJSLMSUFK-UHFFFAOYSA-N 2 1 440.592 2.362 20 0 IEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164827367 720304230 /nfs/dbraw/zinc/30/42/30/720304230.db2.gz XCWJLFBVTLGWCA-ROUUACIJSA-N 2 1 440.548 2.046 20 0 IEADMP CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164840782 720570925 /nfs/dbraw/zinc/57/09/25/720570925.db2.gz STKLNVOMSQVKFH-ILWGZMRPSA-N 2 1 439.608 2.450 20 0 IEADMP CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164840782 720570943 /nfs/dbraw/zinc/57/09/43/720570943.db2.gz STKLNVOMSQVKFH-ILWGZMRPSA-N 2 1 439.608 2.450 20 0 IEADMP CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164840779 720571927 /nfs/dbraw/zinc/57/19/27/720571927.db2.gz STKLNVOMSQVKFH-CEMLEFRQSA-N 2 1 439.608 2.450 20 0 IEADMP CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164840779 720571937 /nfs/dbraw/zinc/57/19/37/720571937.db2.gz STKLNVOMSQVKFH-CEMLEFRQSA-N 2 1 439.608 2.450 20 0 IEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164842709 720701336 /nfs/dbraw/zinc/70/13/36/720701336.db2.gz MWDGZSYZLMNLFE-JOCHJYFZSA-N 2 1 449.599 2.387 20 0 IEADMP Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2c(n1)C[NH2+]CC2 ZINC001164751840 720843639 /nfs/dbraw/zinc/84/36/39/720843639.db2.gz ZDRYYAWMEHDJLQ-MBOZVWFJSA-N 2 1 427.984 2.352 20 0 IEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164752929 720877700 /nfs/dbraw/zinc/87/77/00/720877700.db2.gz NMNZMDYKUGBNGI-WIOPSUGQSA-N 2 1 434.588 2.272 20 0 IEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc4c(nn2)CC[NH2+]C4)C3)c1 ZINC001164754474 720898081 /nfs/dbraw/zinc/89/80/81/720898081.db2.gz IZZUJZQIJVFTHL-RDGATRHJSA-N 2 1 434.588 2.272 20 0 IEADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164778062 721338020 /nfs/dbraw/zinc/33/80/20/721338020.db2.gz UCSUXATYBKPTAR-QFIPXVFZSA-N 2 1 446.983 2.500 20 0 IEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164778062 721338024 /nfs/dbraw/zinc/33/80/24/721338024.db2.gz UCSUXATYBKPTAR-QFIPXVFZSA-N 2 1 446.983 2.500 20 0 IEADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)O2)CC1 ZINC001164891587 721427877 /nfs/dbraw/zinc/42/78/77/721427877.db2.gz HDFQLEZZYLHFTM-DHLKQENFSA-N 2 1 443.636 2.322 20 0 IEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164784692 721464052 /nfs/dbraw/zinc/46/40/52/721464052.db2.gz JPWUVFPNWGKQLK-HSZRJFAPSA-N 2 1 443.636 2.225 20 0 IEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164784694 721464262 /nfs/dbraw/zinc/46/42/62/721464262.db2.gz JPWUVFPNWGKQLK-QHCPKHFHSA-N 2 1 443.636 2.225 20 0 IEADMP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ncccc1C[NH+]1CCCC1 ZINC001164950078 721991272 /nfs/dbraw/zinc/99/12/72/721991272.db2.gz IINPENODHJLBRQ-UGKGYDQZSA-N 2 1 434.606 2.277 20 0 IEADMP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ncccc1C[NH+]1CCCC1 ZINC001164950076 721991356 /nfs/dbraw/zinc/99/13/56/721991356.db2.gz IINPENODHJLBRQ-SIKLNZKXSA-N 2 1 434.606 2.277 20 0 IEADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cn2)CC1 ZINC001461673120 1126196113 /nfs/dbraw/zinc/19/61/13/1126196113.db2.gz QSLROHHLULMXNA-HXUWFJFHSA-N 2 1 434.382 2.074 20 0 IEADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(N3CCN(c4ccccc4)CC3)nn2)c2c1CC[NH2+]C2 ZINC001164679531 719641398 /nfs/dbraw/zinc/64/13/98/719641398.db2.gz FMLXXNAGLXRFCO-UHFFFAOYSA-N 2 1 446.603 2.475 20 0 IEADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(N3CCN(c4ccccc4)CC3)nn2)c2c1CC[NH2+]C2 ZINC001164679531 719641407 /nfs/dbraw/zinc/64/14/07/719641407.db2.gz FMLXXNAGLXRFCO-UHFFFAOYSA-N 2 1 446.603 2.475 20 0 IEADMP [NH3+]C1CCN(c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164696704 719895264 /nfs/dbraw/zinc/89/52/64/719895264.db2.gz HPDVNQZWZDPSPY-UHFFFAOYSA-N 2 1 428.606 2.337 20 0 IEADMP Cn1nnc2c1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715740 720199885 /nfs/dbraw/zinc/19/98/85/720199885.db2.gz MXQRXYQKBHVRDX-OAQYLSRUSA-N 2 1 425.581 2.021 20 0 IEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CCC2 ZINC001164813982 720217648 /nfs/dbraw/zinc/21/76/48/720217648.db2.gz QOEXTLOVGDWMJY-UHFFFAOYSA-N 2 1 445.999 2.404 20 0 IEADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164721426 720305417 /nfs/dbraw/zinc/30/54/17/720305417.db2.gz GYWGYHGGQLNBOO-QPPBQGQZSA-N 2 1 429.609 2.293 20 0 IEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164721426 720305429 /nfs/dbraw/zinc/30/54/29/720305429.db2.gz GYWGYHGGQLNBOO-QPPBQGQZSA-N 2 1 429.609 2.293 20 0 IEADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164721426 720305433 /nfs/dbraw/zinc/30/54/33/720305433.db2.gz GYWGYHGGQLNBOO-QPPBQGQZSA-N 2 1 429.609 2.293 20 0 IEADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164721426 720305440 /nfs/dbraw/zinc/30/54/40/720305440.db2.gz GYWGYHGGQLNBOO-QPPBQGQZSA-N 2 1 429.609 2.293 20 0 IEADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164860123 720856099 /nfs/dbraw/zinc/85/60/99/720856099.db2.gz VGMIXJVYEWGEEE-PKOBYXMFSA-N 2 1 445.564 2.152 20 0 IEADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164860123 720856101 /nfs/dbraw/zinc/85/61/01/720856101.db2.gz VGMIXJVYEWGEEE-PKOBYXMFSA-N 2 1 445.564 2.152 20 0 IEADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164893556 721399089 /nfs/dbraw/zinc/39/90/89/721399089.db2.gz VCGTYTWWGOZEIU-WMZHIEFXSA-N 2 1 449.043 2.362 20 0 IEADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164891611 721451284 /nfs/dbraw/zinc/45/12/84/721451284.db2.gz UXMAYRCLFSLTBE-ZCYQVOJMSA-N 2 1 443.636 2.225 20 0 IEADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164796805 721499552 /nfs/dbraw/zinc/49/95/52/721499552.db2.gz YRXYVMXKHKDWPN-UHFFFAOYSA-N 2 1 449.603 2.192 20 0 IEADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164796805 721499554 /nfs/dbraw/zinc/49/95/54/721499554.db2.gz YRXYVMXKHKDWPN-UHFFFAOYSA-N 2 1 449.603 2.192 20 0 IEADMP C[NH+]1CCN(c2nccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164912723 721731375 /nfs/dbraw/zinc/73/13/75/721731375.db2.gz PSKBQFCLOVMSPM-JOCHJYFZSA-N 2 1 443.546 2.361 20 0 IEADMP C[NH+]1CCN(c2nccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164912723 721731376 /nfs/dbraw/zinc/73/13/76/721731376.db2.gz PSKBQFCLOVMSPM-JOCHJYFZSA-N 2 1 443.546 2.361 20 0 IEADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423516 718915987 /nfs/dbraw/zinc/91/59/87/718915987.db2.gz HXYQTLQXVIOPAV-QFIPXVFZSA-N 2 1 431.606 2.489 20 0 IEADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164622585 719120863 /nfs/dbraw/zinc/12/08/63/719120863.db2.gz PJURWFMWHDSXQO-ZIFCJYIRSA-N 2 1 447.599 2.394 20 0 IEADMP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCN(c4ccccc4)CC3)ncn2)c2c1CC[NH2+]C2 ZINC001164680192 719644537 /nfs/dbraw/zinc/64/45/37/719644537.db2.gz RVSGCKPDZUUAJU-UHFFFAOYSA-N 2 1 446.603 2.475 20 0 IEADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCN(c4ccccc4)CC3)ncn2)c2c1CC[NH2+]C2 ZINC001164680192 719644540 /nfs/dbraw/zinc/64/45/40/719644540.db2.gz RVSGCKPDZUUAJU-UHFFFAOYSA-N 2 1 446.603 2.475 20 0 IEADMP O=C(c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2)N1CC[NH2+]CC1 ZINC001164698223 719895522 /nfs/dbraw/zinc/89/55/22/719895522.db2.gz PUFZOLNBCWMMIM-UHFFFAOYSA-N 2 1 441.601 2.060 20 0 IEADMP Cn1nnc2c1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715737 720199875 /nfs/dbraw/zinc/19/98/75/720199875.db2.gz MXQRXYQKBHVRDX-NRFANRHFSA-N 2 1 425.581 2.021 20 0 IEADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001164825219 720350410 /nfs/dbraw/zinc/35/04/10/720350410.db2.gz JABKTDUGFPDVCS-DHIUTWEWSA-N 2 1 441.620 2.466 20 0 IEADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738499 720682008 /nfs/dbraw/zinc/68/20/08/720682008.db2.gz KDFMBGHGPOKSNA-LEWJYISDSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738499 720682017 /nfs/dbraw/zinc/68/20/17/720682017.db2.gz KDFMBGHGPOKSNA-LEWJYISDSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738499 720682027 /nfs/dbraw/zinc/68/20/27/720682027.db2.gz KDFMBGHGPOKSNA-LEWJYISDSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738499 720682035 /nfs/dbraw/zinc/68/20/35/720682035.db2.gz KDFMBGHGPOKSNA-LEWJYISDSA-N 2 1 443.555 2.167 20 0 IEADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164838350 720719975 /nfs/dbraw/zinc/71/99/75/720719975.db2.gz IGGCBXIUULLZFD-JOCHJYFZSA-N 2 1 436.604 2.488 20 0 IEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164838350 720719980 /nfs/dbraw/zinc/71/99/80/720719980.db2.gz IGGCBXIUULLZFD-JOCHJYFZSA-N 2 1 436.604 2.488 20 0 IEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164752926 720878096 /nfs/dbraw/zinc/87/80/96/720878096.db2.gz NMNZMDYKUGBNGI-DHLKQENFSA-N 2 1 434.588 2.272 20 0 IEADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164796703 721498153 /nfs/dbraw/zinc/49/81/53/721498153.db2.gz VUZRXFCXWUVLFL-UHFFFAOYSA-N 2 1 434.588 2.403 20 0 IEADMP FC1(F)CCN(c2ccc(N3CC[NH2+]CC3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906705 721692098 /nfs/dbraw/zinc/69/20/98/721692098.db2.gz PDUQIEDYEUZFNA-NRFANRHFSA-N 2 1 429.519 2.019 20 0 IEADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001164393207 718810007 /nfs/dbraw/zinc/81/00/07/718810007.db2.gz RJDZMHPXIWGCKX-UHFFFAOYSA-N 2 1 436.585 2.478 20 0 IEADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164432638 718970724 /nfs/dbraw/zinc/97/07/24/718970724.db2.gz IDGIFVGMHVFJLS-VQTJNVASSA-N 2 1 442.482 2.076 20 0 IEADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164432637 718970919 /nfs/dbraw/zinc/97/09/19/718970919.db2.gz IDGIFVGMHVFJLS-UXHICEINSA-N 2 1 442.482 2.076 20 0 IEADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164622583 719120479 /nfs/dbraw/zinc/12/04/79/719120479.db2.gz PJURWFMWHDSXQO-LNLFQRSKSA-N 2 1 447.599 2.394 20 0 IEADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c3C[NH2+]C4)CC2)c2ccccc21 ZINC001164682956 719663446 /nfs/dbraw/zinc/66/34/46/719663446.db2.gz UFJFUSKEJFWGCO-GOSISDBHSA-N 2 1 434.588 2.173 20 0 IEADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164721432 720305574 /nfs/dbraw/zinc/30/55/74/720305574.db2.gz GYWGYHGGQLNBOO-ZJSXRUAMSA-N 2 1 429.609 2.293 20 0 IEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164721432 720305577 /nfs/dbraw/zinc/30/55/77/720305577.db2.gz GYWGYHGGQLNBOO-ZJSXRUAMSA-N 2 1 429.609 2.293 20 0 IEADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164721432 720305583 /nfs/dbraw/zinc/30/55/83/720305583.db2.gz GYWGYHGGQLNBOO-ZJSXRUAMSA-N 2 1 429.609 2.293 20 0 IEADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164721432 720305589 /nfs/dbraw/zinc/30/55/89/720305589.db2.gz GYWGYHGGQLNBOO-ZJSXRUAMSA-N 2 1 429.609 2.293 20 0 IEADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)C1 ZINC001164728160 720515032 /nfs/dbraw/zinc/51/50/32/720515032.db2.gz JHNBERQBAUGILE-INIZCTEOSA-N 2 1 425.537 2.373 20 0 IEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839500 720609092 /nfs/dbraw/zinc/60/90/92/720609092.db2.gz NNFFGLSMEPWUJP-SVFBPWRDSA-N 2 1 425.581 2.182 20 0 IEADMP COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851370 720850755 /nfs/dbraw/zinc/85/07/55/720850755.db2.gz GUXSQWHBJAQACN-QPPBQGQZSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[N@H+]1CCO[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851370 720850757 /nfs/dbraw/zinc/85/07/57/720850757.db2.gz GUXSQWHBJAQACN-QPPBQGQZSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[NH+]1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851370 720850758 /nfs/dbraw/zinc/85/07/58/720850758.db2.gz GUXSQWHBJAQACN-QPPBQGQZSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[NH+]1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851370 720850760 /nfs/dbraw/zinc/85/07/60/720850760.db2.gz GUXSQWHBJAQACN-QPPBQGQZSA-N 2 1 437.588 2.208 20 0 IEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncnc4c2CC[NH2+]CC4)C3)c1 ZINC001164755224 720869849 /nfs/dbraw/zinc/86/98/49/720869849.db2.gz VDVQDYHBZPDJEN-BKMJKUGQSA-N 2 1 448.615 2.315 20 0 IEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc4c(nn2)CC[NH2+]C4)C3)c1 ZINC001164754477 720898169 /nfs/dbraw/zinc/89/81/69/720898169.db2.gz IZZUJZQIJVFTHL-WIOPSUGQSA-N 2 1 434.588 2.272 20 0 IEADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164893555 721398115 /nfs/dbraw/zinc/39/81/15/721398115.db2.gz VCGTYTWWGOZEIU-CVDCTZTESA-N 2 1 449.043 2.362 20 0 IEADMP C[NH+]1CCN(c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164903584 721585782 /nfs/dbraw/zinc/58/57/82/721585782.db2.gz ALFDEMWYDNMYKP-JOCHJYFZSA-N 2 1 443.546 2.361 20 0 IEADMP C[NH+]1CCN(c2nccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164912725 721732055 /nfs/dbraw/zinc/73/20/55/721732055.db2.gz PSKBQFCLOVMSPM-QFIPXVFZSA-N 2 1 443.546 2.361 20 0 IEADMP C[NH+]1CCN(c2nccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164912725 721732057 /nfs/dbraw/zinc/73/20/57/721732057.db2.gz PSKBQFCLOVMSPM-QFIPXVFZSA-N 2 1 443.546 2.361 20 0 IEADMP CCOC(=O)C1CC[NH+](C2CCN(c3cc(CC)[nH+]c(N4CCOCC4)n3)CC2)CC1 ZINC001164617405 719029347 /nfs/dbraw/zinc/02/93/47/719029347.db2.gz LDUVWBLSZKPQTP-UHFFFAOYSA-N 2 1 431.581 2.120 20 0 IEADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164686598 719721774 /nfs/dbraw/zinc/72/17/74/719721774.db2.gz QDVZIVDJFWDHLX-UHFFFAOYSA-N 2 1 442.564 2.159 20 0 IEADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164686598 719721792 /nfs/dbraw/zinc/72/17/92/719721792.db2.gz QDVZIVDJFWDHLX-UHFFFAOYSA-N 2 1 442.564 2.159 20 0 IEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(OCC3CC[NH2+]CC3)cn1)CCC2 ZINC001164817417 720245405 /nfs/dbraw/zinc/24/54/05/720245405.db2.gz RCMORLXZVKPGMZ-UHFFFAOYSA-N 2 1 440.592 2.267 20 0 IEADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164721431 720305209 /nfs/dbraw/zinc/30/52/09/720305209.db2.gz GYWGYHGGQLNBOO-XUZZJYLKSA-N 2 1 429.609 2.293 20 0 IEADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164721431 720305216 /nfs/dbraw/zinc/30/52/16/720305216.db2.gz GYWGYHGGQLNBOO-XUZZJYLKSA-N 2 1 429.609 2.293 20 0 IEADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164721431 720305223 /nfs/dbraw/zinc/30/52/23/720305223.db2.gz GYWGYHGGQLNBOO-XUZZJYLKSA-N 2 1 429.609 2.293 20 0 IEADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164721431 720305232 /nfs/dbraw/zinc/30/52/32/720305232.db2.gz GYWGYHGGQLNBOO-XUZZJYLKSA-N 2 1 429.609 2.293 20 0 IEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164844207 720664352 /nfs/dbraw/zinc/66/43/52/720664352.db2.gz YKFILLOSQAVTSG-QFIPXVFZSA-N 2 1 436.604 2.488 20 0 IEADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738505 720682183 /nfs/dbraw/zinc/68/21/83/720682183.db2.gz KDFMBGHGPOKSNA-RTWAWAEBSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738505 720682191 /nfs/dbraw/zinc/68/21/91/720682191.db2.gz KDFMBGHGPOKSNA-RTWAWAEBSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738505 720682198 /nfs/dbraw/zinc/68/21/98/720682198.db2.gz KDFMBGHGPOKSNA-RTWAWAEBSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)C2)cc1 ZINC001164738505 720682204 /nfs/dbraw/zinc/68/22/04/720682204.db2.gz KDFMBGHGPOKSNA-RTWAWAEBSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738508 720682658 /nfs/dbraw/zinc/68/26/58/720682658.db2.gz KDFMBGHGPOKSNA-SFTDATJTSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738508 720682671 /nfs/dbraw/zinc/68/26/71/720682671.db2.gz KDFMBGHGPOKSNA-SFTDATJTSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738508 720682687 /nfs/dbraw/zinc/68/26/87/720682687.db2.gz KDFMBGHGPOKSNA-SFTDATJTSA-N 2 1 443.555 2.167 20 0 IEADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)C2)cc1 ZINC001164738508 720682701 /nfs/dbraw/zinc/68/27/01/720682701.db2.gz KDFMBGHGPOKSNA-SFTDATJTSA-N 2 1 443.555 2.167 20 0 IEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncnc4c2CC[NH2+]CC4)C3)c1 ZINC001164755225 720869739 /nfs/dbraw/zinc/86/97/39/720869739.db2.gz VDVQDYHBZPDJEN-GJZUVCINSA-N 2 1 448.615 2.315 20 0 IEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164789429 721474701 /nfs/dbraw/zinc/47/47/01/721474701.db2.gz MTHPOVGUXGYXFL-NRFANRHFSA-N 2 1 429.609 2.206 20 0 IEADMP CCc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164908099 721544396 /nfs/dbraw/zinc/54/43/96/721544396.db2.gz OQKQXBBPFIVCRG-TZIWHRDSSA-N 2 1 427.524 2.357 20 0 IEADMP CCc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164908099 721544398 /nfs/dbraw/zinc/54/43/98/721544398.db2.gz OQKQXBBPFIVCRG-TZIWHRDSSA-N 2 1 427.524 2.357 20 0 IEADMP FC1(F)CCN(c2cncc(N3CC[NH2+]CC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904366 721708478 /nfs/dbraw/zinc/70/84/78/721708478.db2.gz CITHFKMHRMFAET-NRFANRHFSA-N 2 1 429.519 2.019 20 0 IEADMP Cc1ccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968383 722078614 /nfs/dbraw/zinc/07/86/14/722078614.db2.gz AKINSBFZCKPMIS-UHFFFAOYSA-N 2 1 430.560 2.485 20 0 IEADMP O=C1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC2(CC[NH2+]CC2)N1 ZINC001164391144 718809674 /nfs/dbraw/zinc/80/96/74/718809674.db2.gz FVTZSOADMQUFFA-UHFFFAOYSA-N 2 1 440.617 2.224 20 0 IEADMP Cc1nc2c(n1-c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)CC[NH2+]CC2 ZINC001164430034 718949215 /nfs/dbraw/zinc/94/92/15/718949215.db2.gz TWUTWDLAKYDVQP-QGZVFWFLSA-N 2 1 440.592 2.063 20 0 IEADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC(C3C[NH2+]C3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164614761 719036980 /nfs/dbraw/zinc/03/69/80/719036980.db2.gz GJXMFCZUDQLYBZ-QGZVFWFLSA-N 2 1 429.609 2.316 20 0 IEADMP CCC(C)(C)NS(=O)(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164680234 719640921 /nfs/dbraw/zinc/64/09/21/719640921.db2.gz SWPDYIAITDVXCJ-UHFFFAOYSA-N 2 1 434.610 2.220 20 0 IEADMP CCC(C)(C)NS(=O)(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164680234 719640930 /nfs/dbraw/zinc/64/09/30/719640930.db2.gz SWPDYIAITDVXCJ-UHFFFAOYSA-N 2 1 434.610 2.220 20 0 IEADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001164812974 720163467 /nfs/dbraw/zinc/16/34/67/720163467.db2.gz BCHVPIKTEXDQMD-HYBUGGRVSA-N 2 1 441.624 2.257 20 0 IEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001164812974 720163472 /nfs/dbraw/zinc/16/34/72/720163472.db2.gz BCHVPIKTEXDQMD-HYBUGGRVSA-N 2 1 441.624 2.257 20 0 IEADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164721547 720291641 /nfs/dbraw/zinc/29/16/41/720291641.db2.gz KZPWRIVFPRFHPN-RUZDIDTESA-N 2 1 437.588 2.500 20 0 IEADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]c(N4CCCC4)cc4ccccc43)C2)C1 ZINC001164721547 720291656 /nfs/dbraw/zinc/29/16/56/720291656.db2.gz KZPWRIVFPRFHPN-RUZDIDTESA-N 2 1 437.588 2.500 20 0 IEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164827365 720304517 /nfs/dbraw/zinc/30/45/17/720304517.db2.gz XCWJLFBVTLGWCA-MSOLQXFVSA-N 2 1 440.548 2.046 20 0 IEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835167 720631836 /nfs/dbraw/zinc/63/18/36/720631836.db2.gz AFOSJBBHFNLSQD-BHIFYINESA-N 2 1 439.608 2.429 20 0 IEADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868696 721069500 /nfs/dbraw/zinc/06/95/00/721069500.db2.gz PXBAHCXTRFGUNR-MOPGFXCFSA-N 2 1 428.968 2.472 20 0 IEADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164891610 721450901 /nfs/dbraw/zinc/45/09/01/721450901.db2.gz UXMAYRCLFSLTBE-UKILVPOCSA-N 2 1 443.636 2.225 20 0 IEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800085 721587343 /nfs/dbraw/zinc/58/73/43/721587343.db2.gz BSLDCGSTNOYDRK-YZUZCNPQSA-N 2 1 438.576 2.118 20 0 IEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800085 721587347 /nfs/dbraw/zinc/58/73/47/721587347.db2.gz BSLDCGSTNOYDRK-YZUZCNPQSA-N 2 1 438.576 2.118 20 0 IEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001165018807 721817347 /nfs/dbraw/zinc/81/73/47/721817347.db2.gz AKAKZTVAJWLCCL-WWPVKYPJSA-N 2 1 434.588 2.259 20 0 IEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001165018804 721817445 /nfs/dbraw/zinc/81/74/45/721817445.db2.gz AKAKZTVAJWLCCL-AJSBUHFISA-N 2 1 434.588 2.259 20 0 IEADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]21 ZINC001165023059 721821566 /nfs/dbraw/zinc/82/15/66/721821566.db2.gz HIAYBYYHGKISDO-RZFNWQHOSA-N 2 1 449.603 2.048 20 0 IEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]21 ZINC001165023059 721821567 /nfs/dbraw/zinc/82/15/67/721821567.db2.gz HIAYBYYHGKISDO-RZFNWQHOSA-N 2 1 449.603 2.048 20 0 IEADMP Clc1nc2c(c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n1)C[NH2+]CC2 ZINC001164958095 722052036 /nfs/dbraw/zinc/05/20/36/722052036.db2.gz CBGVILUDNLADPU-UHFFFAOYSA-N 2 1 428.968 2.290 20 0 IEADMP Cc1ccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968254 722078704 /nfs/dbraw/zinc/07/87/04/722078704.db2.gz XVIZOIMUAYDFRH-UHFFFAOYSA-N 2 1 430.560 2.485 20 0 IEADMP O=C1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC2(CC[NH2+]CC2)N1 ZINC001164392643 718809615 /nfs/dbraw/zinc/80/96/15/718809615.db2.gz NBUPNKHIIGJURV-UHFFFAOYSA-N 2 1 440.617 2.224 20 0 IEADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5C[NH2+]C[C@@]5(CO)C3)n2)CCC4)CC1 ZINC001164409219 718853289 /nfs/dbraw/zinc/85/32/89/718853289.db2.gz UQSINANEXZZSFI-MWTRTKDXSA-N 2 1 427.618 2.430 20 0 IEADMP C[NH+]1CCN(c2nccc(N(c3cccc(F)c3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)CC1 ZINC001164652355 719297033 /nfs/dbraw/zinc/29/70/33/719297033.db2.gz MWKHPXMDMIMZRN-REWPJTCUSA-N 2 1 426.540 2.417 20 0 IEADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164860117 720855168 /nfs/dbraw/zinc/85/51/68/720855168.db2.gz VGMIXJVYEWGEEE-HKUYNNGSSA-N 2 1 445.564 2.152 20 0 IEADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164860117 720855169 /nfs/dbraw/zinc/85/51/69/720855169.db2.gz VGMIXJVYEWGEEE-HKUYNNGSSA-N 2 1 445.564 2.152 20 0 IEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(C4C[NH2+]C4)ncn2)C3)c1 ZINC001164752659 720939437 /nfs/dbraw/zinc/93/94/37/720939437.db2.gz OISFOLZLSZRTGY-DHLKQENFSA-N 2 1 434.588 2.314 20 0 IEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(C4C[NH2+]C4)ncn2)C3)c1 ZINC001164752668 720939910 /nfs/dbraw/zinc/93/99/10/720939910.db2.gz OISFOLZLSZRTGY-WIOPSUGQSA-N 2 1 434.588 2.314 20 0 IEADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868698 721069571 /nfs/dbraw/zinc/06/95/71/721069571.db2.gz PXBAHCXTRFGUNR-RBUKOAKNSA-N 2 1 428.968 2.472 20 0 IEADMP COc1cc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2cc1OC ZINC001164872443 721276117 /nfs/dbraw/zinc/27/61/17/721276117.db2.gz CWNLFVYDXFQPMF-UHFFFAOYSA-N 2 1 442.560 2.259 20 0 IEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001164782318 721360546 /nfs/dbraw/zinc/36/05/46/721360546.db2.gz NFZBCUKHLZMDCY-XMMPIXPASA-N 2 1 440.592 2.215 20 0 IEADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164893554 721398407 /nfs/dbraw/zinc/39/84/07/721398407.db2.gz VCGTYTWWGOZEIU-AUSIDOKSSA-N 2 1 449.043 2.362 20 0 IEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164800081 721586695 /nfs/dbraw/zinc/58/66/95/721586695.db2.gz BSLDCGSTNOYDRK-IMSXRSKXSA-N 2 1 438.576 2.118 20 0 IEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164800081 721586699 /nfs/dbraw/zinc/58/66/99/721586699.db2.gz BSLDCGSTNOYDRK-IMSXRSKXSA-N 2 1 438.576 2.118 20 0 IEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164800082 721587234 /nfs/dbraw/zinc/58/72/34/721587234.db2.gz BSLDCGSTNOYDRK-LGVFNWMJSA-N 2 1 438.576 2.118 20 0 IEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164800082 721587235 /nfs/dbraw/zinc/58/72/35/721587235.db2.gz BSLDCGSTNOYDRK-LGVFNWMJSA-N 2 1 438.576 2.118 20 0 IEADMP FC1(F)CCN(c2cncc(N3CC[NH2+]CC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904367 721707804 /nfs/dbraw/zinc/70/78/04/721707804.db2.gz CITHFKMHRMFAET-OAQYLSRUSA-N 2 1 429.519 2.019 20 0 IEADMP C[NH+]1CCN(c2nccc(N(c3cccc(F)c3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)CC1 ZINC001164652351 719297162 /nfs/dbraw/zinc/29/71/62/719297162.db2.gz MWKHPXMDMIMZRN-OFNKIYASSA-N 2 1 426.540 2.417 20 0 IEADMP CC(C)[N@H+](C)Cc1nn(-c2c(Cl)nnc(Cl)c2N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164680673 719653390 /nfs/dbraw/zinc/65/33/90/719653390.db2.gz HFVDAILCIKQCBA-UHFFFAOYSA-N 2 1 440.379 2.292 20 0 IEADMP CC(C)[N@@H+](C)Cc1nn(-c2c(Cl)nnc(Cl)c2N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164680673 719653403 /nfs/dbraw/zinc/65/34/03/719653403.db2.gz HFVDAILCIKQCBA-UHFFFAOYSA-N 2 1 440.379 2.292 20 0 IEADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164684339 719715377 /nfs/dbraw/zinc/71/53/77/719715377.db2.gz PAFBGVVLGLCFIA-UHFFFAOYSA-N 2 1 434.588 2.216 20 0 IEADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164684339 719715391 /nfs/dbraw/zinc/71/53/91/719715391.db2.gz PAFBGVVLGLCFIA-UHFFFAOYSA-N 2 1 434.588 2.216 20 0 IEADMP CNC(=O)C[NH+]1CCCC12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164684339 719715399 /nfs/dbraw/zinc/71/53/99/719715399.db2.gz PAFBGVVLGLCFIA-UHFFFAOYSA-N 2 1 434.588 2.216 20 0 IEADMP CNC(=O)C[NH+]1CCCC12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164684339 719715410 /nfs/dbraw/zinc/71/54/10/719715410.db2.gz PAFBGVVLGLCFIA-UHFFFAOYSA-N 2 1 434.588 2.216 20 0 IEADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001164812976 720165132 /nfs/dbraw/zinc/16/51/32/720165132.db2.gz BCHVPIKTEXDQMD-YKSBVNFPSA-N 2 1 441.624 2.257 20 0 IEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001164812976 720165137 /nfs/dbraw/zinc/16/51/37/720165137.db2.gz BCHVPIKTEXDQMD-YKSBVNFPSA-N 2 1 441.624 2.257 20 0 IEADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001164825223 720350038 /nfs/dbraw/zinc/35/00/38/720350038.db2.gz JABKTDUGFPDVCS-PKTZIBPZSA-N 2 1 441.620 2.466 20 0 IEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164844205 720663791 /nfs/dbraw/zinc/66/37/91/720663791.db2.gz YKFILLOSQAVTSG-JOCHJYFZSA-N 2 1 436.604 2.488 20 0 IEADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164838352 720721782 /nfs/dbraw/zinc/72/17/82/720721782.db2.gz IGGCBXIUULLZFD-QFIPXVFZSA-N 2 1 436.604 2.488 20 0 IEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164838352 720721793 /nfs/dbraw/zinc/72/17/93/720721793.db2.gz IGGCBXIUULLZFD-QFIPXVFZSA-N 2 1 436.604 2.488 20 0 IEADMP Clc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2c(n1)C[NH2+]CC2 ZINC001164751841 720843985 /nfs/dbraw/zinc/84/39/85/720843985.db2.gz ZDRYYAWMEHDJLQ-SQGPQFPESA-N 2 1 427.984 2.352 20 0 IEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc4c(nn2)CC[NH2+]C4)C3)c1 ZINC001164754468 720897926 /nfs/dbraw/zinc/89/79/26/720897926.db2.gz IZZUJZQIJVFTHL-DHLKQENFSA-N 2 1 434.588 2.272 20 0 IEADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164777994 721333478 /nfs/dbraw/zinc/33/34/78/721333478.db2.gz RYGLTQBLSYAPQS-JOCHJYFZSA-N 2 1 446.983 2.500 20 0 IEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3C[NH2+]CC4)C2)C1 ZINC001164777994 721333481 /nfs/dbraw/zinc/33/34/81/721333481.db2.gz RYGLTQBLSYAPQS-JOCHJYFZSA-N 2 1 446.983 2.500 20 0 IEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)cn3)C2)C1 ZINC001164782317 721360770 /nfs/dbraw/zinc/36/07/70/721360770.db2.gz NFZBCUKHLZMDCY-DEOSSOPVSA-N 2 1 440.592 2.215 20 0 IEADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]21 ZINC001165023054 721821637 /nfs/dbraw/zinc/82/16/37/721821637.db2.gz HIAYBYYHGKISDO-JMUQELJHSA-N 2 1 449.603 2.048 20 0 IEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]21 ZINC001165023054 721821638 /nfs/dbraw/zinc/82/16/38/721821638.db2.gz HIAYBYYHGKISDO-JMUQELJHSA-N 2 1 449.603 2.048 20 0 IEADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]21 ZINC001165023051 721821756 /nfs/dbraw/zinc/82/17/56/721821756.db2.gz HIAYBYYHGKISDO-AVCGJXAMSA-N 2 1 449.603 2.048 20 0 IEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@@H]21 ZINC001165023051 721821758 /nfs/dbraw/zinc/82/17/58/721821758.db2.gz HIAYBYYHGKISDO-AVCGJXAMSA-N 2 1 449.603 2.048 20 0 IEADMP CN(C)c1nc(N2CCOC[C@@]3(CCCN(c4cc(C[NH+](C)C)ccn4)C3)C2)cc[nH+]1 ZINC001164664211 719357789 /nfs/dbraw/zinc/35/77/89/719357789.db2.gz LYUURIHGHBAOKN-HSZRJFAPSA-N 2 1 425.581 2.123 20 0 IEADMP [NH3+]C1CCN(c2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)n2)CC1 ZINC001164672550 719515717 /nfs/dbraw/zinc/51/57/17/719515717.db2.gz KCGFSUIEZCNWIT-UHFFFAOYSA-N 2 1 440.567 2.415 20 0 IEADMP CCOC(=O)c1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1C(=O)OCC ZINC001164680336 719653850 /nfs/dbraw/zinc/65/38/50/719653850.db2.gz FRYKLYUAWAZSGB-UHFFFAOYSA-N 2 1 429.521 2.107 20 0 IEADMP CCOC(=O)c1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1C(=O)OCC ZINC001164680336 719653855 /nfs/dbraw/zinc/65/38/55/719653855.db2.gz FRYKLYUAWAZSGB-UHFFFAOYSA-N 2 1 429.521 2.107 20 0 IEADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c3C[NH2+]C4)CC2)c2ccccc21 ZINC001164682960 719663731 /nfs/dbraw/zinc/66/37/31/719663731.db2.gz UFJFUSKEJFWGCO-SFHVURJKSA-N 2 1 434.588 2.173 20 0 IEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164827366 720304726 /nfs/dbraw/zinc/30/47/26/720304726.db2.gz XCWJLFBVTLGWCA-QZTJIDSGSA-N 2 1 440.548 2.046 20 0 IEADMP CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164840785 720570709 /nfs/dbraw/zinc/57/07/09/720570709.db2.gz STKLNVOMSQVKFH-KSEOMHKRSA-N 2 1 439.608 2.450 20 0 IEADMP CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCOCC2)[nH+]1 ZINC001164840785 720570714 /nfs/dbraw/zinc/57/07/14/720570714.db2.gz STKLNVOMSQVKFH-KSEOMHKRSA-N 2 1 439.608 2.450 20 0 IEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@@H]21 ZINC001164835169 720631389 /nfs/dbraw/zinc/63/13/89/720631389.db2.gz AFOSJBBHFNLSQD-FKBYEOEOSA-N 2 1 439.608 2.429 20 0 IEADMP Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2c(n1)C[NH2+]CC2 ZINC001164751839 720843553 /nfs/dbraw/zinc/84/35/53/720843553.db2.gz ZDRYYAWMEHDJLQ-FUHIMQAGSA-N 2 1 427.984 2.352 20 0 IEADMP COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851379 720850642 /nfs/dbraw/zinc/85/06/42/720850642.db2.gz GUXSQWHBJAQACN-ZJSXRUAMSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851379 720850643 /nfs/dbraw/zinc/85/06/43/720850643.db2.gz GUXSQWHBJAQACN-ZJSXRUAMSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[NH+]1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851379 720850644 /nfs/dbraw/zinc/85/06/44/720850644.db2.gz GUXSQWHBJAQACN-ZJSXRUAMSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[NH+]1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851379 720850649 /nfs/dbraw/zinc/85/06/49/720850649.db2.gz GUXSQWHBJAQACN-ZJSXRUAMSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851376 720851022 /nfs/dbraw/zinc/85/10/22/720851022.db2.gz GUXSQWHBJAQACN-XUZZJYLKSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851376 720851023 /nfs/dbraw/zinc/85/10/23/720851023.db2.gz GUXSQWHBJAQACN-XUZZJYLKSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[NH+]1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851376 720851026 /nfs/dbraw/zinc/85/10/26/720851026.db2.gz GUXSQWHBJAQACN-XUZZJYLKSA-N 2 1 437.588 2.208 20 0 IEADMP COCC[NH+]1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851376 720851029 /nfs/dbraw/zinc/85/10/29/720851029.db2.gz GUXSQWHBJAQACN-XUZZJYLKSA-N 2 1 437.588 2.208 20 0 IEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncnc4c2CC[NH2+]CC4)C3)c1 ZINC001164755226 720869601 /nfs/dbraw/zinc/86/96/01/720869601.db2.gz VDVQDYHBZPDJEN-NVQXNPDNSA-N 2 1 448.615 2.315 20 0 IEADMP COc1cc2c[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)cc2cc1OC ZINC001164754303 720965387 /nfs/dbraw/zinc/96/53/87/720965387.db2.gz PIKJSGJGMANMNU-UHFFFAOYSA-N 2 1 425.489 2.094 20 0 IEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1 ZINC001164754881 720968494 /nfs/dbraw/zinc/96/84/94/720968494.db2.gz ZAGLGGDMKFVPPB-LJQANCHMSA-N 2 1 426.565 2.471 20 0 IEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)CC3)C2)cc1 ZINC001164937660 721921174 /nfs/dbraw/zinc/92/11/74/721921174.db2.gz FYUONZBGBLVFGP-UHFFFAOYSA-N 2 1 436.604 2.408 20 0 IEADMP Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164986439 722184082 /nfs/dbraw/zinc/18/40/82/722184082.db2.gz DFPVLDNOSCZIDG-PMACEKPBSA-N 2 1 443.621 2.039 20 0 IEADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC(=O)NC4(CC[NH2+]CC4)C3)c2c1C ZINC001164392838 718809509 /nfs/dbraw/zinc/80/95/09/718809509.db2.gz PEQDLNZHZJQPFQ-UHFFFAOYSA-N 2 1 428.606 2.352 20 0 IEADMP Cc1nc2c(n1-c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CC[NH2+]CC2 ZINC001164430024 718948861 /nfs/dbraw/zinc/94/88/61/718948861.db2.gz SUZFDNLYOKDKMN-UHFFFAOYSA-N 2 1 430.556 2.222 20 0 IEADMP Cc1nc2c(n1-c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)CC[NH2+]CC2 ZINC001164430033 718949249 /nfs/dbraw/zinc/94/92/49/718949249.db2.gz TWUTWDLAKYDVQP-KRWDZBQOSA-N 2 1 440.592 2.063 20 0 IEADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164622578 719120817 /nfs/dbraw/zinc/12/08/17/719120817.db2.gz PJURWFMWHDSXQO-JENIJYKNSA-N 2 1 447.599 2.394 20 0 IEADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164721428 720305082 /nfs/dbraw/zinc/30/50/82/720305082.db2.gz GYWGYHGGQLNBOO-URXFXBBRSA-N 2 1 429.609 2.293 20 0 IEADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164721428 720305084 /nfs/dbraw/zinc/30/50/84/720305084.db2.gz GYWGYHGGQLNBOO-URXFXBBRSA-N 2 1 429.609 2.293 20 0 IEADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164721428 720305093 /nfs/dbraw/zinc/30/50/93/720305093.db2.gz GYWGYHGGQLNBOO-URXFXBBRSA-N 2 1 429.609 2.293 20 0 IEADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164721428 720305099 /nfs/dbraw/zinc/30/50/99/720305099.db2.gz GYWGYHGGQLNBOO-URXFXBBRSA-N 2 1 429.609 2.293 20 0 IEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835168 720632316 /nfs/dbraw/zinc/63/23/16/720632316.db2.gz AFOSJBBHFNLSQD-FDFHNCONSA-N 2 1 439.608 2.429 20 0 IEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(C4C[NH2+]C4)ncn2)C3)c1 ZINC001164752661 720939489 /nfs/dbraw/zinc/93/94/89/720939489.db2.gz OISFOLZLSZRTGY-RCZVLFRGSA-N 2 1 434.588 2.314 20 0 IEADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164749494 720956574 /nfs/dbraw/zinc/95/65/74/720956574.db2.gz FDGQTVDOSONJMS-UHFFFAOYSA-N 2 1 432.956 2.173 20 0 IEADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164891609 721450951 /nfs/dbraw/zinc/45/09/51/721450951.db2.gz UXMAYRCLFSLTBE-NOZRDPDXSA-N 2 1 443.636 2.225 20 0 IEADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164786856 721463010 /nfs/dbraw/zinc/46/30/10/721463010.db2.gz PXQDXMFHRRVHJV-OAQYLSRUSA-N 2 1 445.608 2.047 20 0 IEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164786856 721463011 /nfs/dbraw/zinc/46/30/11/721463011.db2.gz PXQDXMFHRRVHJV-OAQYLSRUSA-N 2 1 445.608 2.047 20 0 IEADMP CCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164908096 721544004 /nfs/dbraw/zinc/54/40/04/721544004.db2.gz OQKQXBBPFIVCRG-CTNGQTDRSA-N 2 1 427.524 2.357 20 0 IEADMP CCc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164908096 721544007 /nfs/dbraw/zinc/54/40/07/721544007.db2.gz OQKQXBBPFIVCRG-CTNGQTDRSA-N 2 1 427.524 2.357 20 0 IEADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]21 ZINC001165023056 721821687 /nfs/dbraw/zinc/82/16/87/721821687.db2.gz HIAYBYYHGKISDO-QTGUNEKASA-N 2 1 449.603 2.048 20 0 IEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)C[C@H]21 ZINC001165023056 721821689 /nfs/dbraw/zinc/82/16/89/721821689.db2.gz HIAYBYYHGKISDO-QTGUNEKASA-N 2 1 449.603 2.048 20 0 IEADMP Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164986456 722184113 /nfs/dbraw/zinc/18/41/13/722184113.db2.gz DFPVLDNOSCZIDG-WOJBJXKFSA-N 2 1 443.621 2.039 20 0 IEADMP C[NH+](C)CCOCc1ncn2c1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)CCC2 ZINC001165004648 722257707 /nfs/dbraw/zinc/25/77/07/722257707.db2.gz UMXCJNWUTJKMQD-UHFFFAOYSA-N 2 1 428.581 2.240 20 0 IEADMP